A0A2K6BW62_MACNE Loading...

KICSTOR subunit 2

As part of the KICSTOR complex functions in the amino acid-sensing branch of the TORC1 signaling pathway. Recruits, in an amino acid-independent manner, the GATOR1 complex to the lysosomal membranes and allows its interaction with GATOR2 and the RAG GTPases. Functions upstream of the RAG GTPases and is required to negatively regulate mTORC1 signaling in absence of amino acids. In absence of the KICSTOR complex mTORC1 is constitutively localized to the lysosome and activated. The KICSTOR complex is also probably involved in the regulation of mTORC1 by glucose.

AlphaFold DB , UniProt , Accession A0A2K6BW62, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene KICS2, Length 468 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	47.1	Very low	250 Å²	250	133.1 Å²	133.1	100%	1.232	82%	0.817	S	S	*	*				0	97.2	0	-76.1	-169.2	-86	0	0	107.2
2	G	39	Very low	50	Low	79 Å²	79	126 Å²	126	81%	0.814	78%	0.775	S	S	*	*			trans	-104	108.3	173.9	0	0	0	0	0	107.7	S4	G2-S4 PolarHBondContact O-N 2.72Å
3	E	40.7	Very low	52.7	Low	193 Å²	193	123.8 Å²	123.8	90%	0.902	76%	0.76	S	S	*	*			trans	-69.7	111	170.6	-76.3	-179	154	0	0	108.4	I5	E3-I5 PolarHBondContact O-N 3.21Å
4	S	38.4	Very low	55.1	Low	111 Å²	111	118.9 Å²	118.9	78%	0.776	73%	0.725	S	S	*	*			trans	-65.7	114.5	169.8	49.4	0	0	0	0	109.1	G2	G2-S4 PolarHBondContact O-N 2.72Å
5	I	41.1	Very low	57.5	Low	152 Å²	152	114.9 Å²	114.9	78%	0.779	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-54.1	125.6	166.8	-60.3	167.3	0	0	0	107.3	E3 L7	E3-I5 PolarHBondContact O-N 3.21Å; I5-L7 PolarHBondContact O-N 3.31Å
6	P	43.5	Very low	59.6	Low	118 Å²	118	110.2 Å²	110.2	77%	0.766	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-63.3	116.1	176.5	-14.1	26.9	0	0	0	108.6	A8	P6-A8 PolarHBondContact O-N 3.17Å; P6-A8 VanDerWaalsContact O-N 3.16Å
7	L	44.4	Very low	61.6	Low	172 Å²	172	104.5 Å²	104.5	90%	0.901	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-55.6	118.8	165.1	-83.2	143.7	0	0	0	107.2	I5 A9	I5-L7 PolarHBondContact O-N 3.31Å; L7-A9 PolarHBondContact O-N 3.01Å
8	A	50.1	Low	63.4	Low	96 Å²	96	98.8 Å²	98.8	79%	0.793	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-51.5	129.5	176.6	0	0	0	0	0	109.3	P6	P6-A8 PolarHBondContact O-N 3.17Å; P6-A8 VanDerWaalsContact O-N 3.16Å
9	A	55.2	Low	65.1	Low	87 Å²	87	97.8 Å²	97.8	72%	0.719	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-54.8	140.1	176.5	0	0	0	0	0	109.7	L7 V11	L7-A9 PolarHBondContact O-N 3.01Å; A9-V11 PolarHBondContact O-N 3.05Å
10	P	61.6	Low	66.6	Low	122 Å²	122	95.8 Å²	95.8	79%	0.792	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-58.7	132.3	179.6	21.6	-30.3	0	0	0	110.3
11	V	66	Low	68	Low	84 Å²	84	91.2 Å²	91.2	51%	0.509	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-59.6	129.9	177.3	179.6	0	0	0	0	108.8	A9 Q15	A9-V11 PolarHBondContact O-N 3.05Å; V11-Q15 HydrophobicContact CG1-CB 3.84Å; V11-Q15 HydrophobicContact CG1-CG 3.69Å
12	P	81.4	Confident	70.8	Confident	48 Å²	48	79.4 Å²	79.4	31%	0.312	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-54.6	143.1	175	-25.5	34.3	0	0	0	111.7	E14 Q15 A16	P12-E14 PolarHBondContact O-N 3.04Å; P12-Q15 HydrophobicContact CB-CB 4.3Å; P12-Q15 WeakPolarHBondContact O-CB 3.44Å; P12-Q15 PolarHBondContact O-N 3.45Å; P12-A16 PolarHBondContact O-N 2.88Å; P12-A16 VanDerWaalsContact O-N 3.09Å
13	V	85.2	Confident	73.4	Confident	97 Å²	97	78.6 Å²	78.6	59%	0.588	47%	0.474	S	S	*	.	H	α-helix	trans	-58.5	-41.4	-176.5	177.1	0	0	0	0	110.7	Q15 A16 V17	V13-Q15 VanDerWaalsContact C-N 3.31Å; V13-Q15 PolarHBondContact O-N 3.48Å; V13-A16 PolarHBondContact O-N 3.34Å; V13-V17 WeakPolarHBondContact O-CG2 3.35Å; V13-V17 PolarHBondContact O-N 3.03Å
14	E	87.3	Confident	75.9	Confident	56 Å²	56	71.7 Å²	71.7	26%	0.262	44%	0.442	S	S	.	.	H	α-helix	trans	-59.5	-42	177.4	-62.3	86.9	164.4	0	0	111.5	P12 V17 L18 W51 V118	P12-E14 PolarHBondContact O-N 3.04Å; E14-V17 PolarHBondContact O-N 3.38Å; E14-L18 VanDerWaalsContact O-CG 3.24Å; E14-L18 WeakPolarHBondContact O-CG 3.34Å; E14-L18 PolarHBondContact O-N 2.99Å; E14-W51 HydrophobicContact CB-CE3 4.37Å; E14-W51 HydrophobicContact CB-CH2 3.75Å; E14-W51 HydrophobicContact CB-CZ2 4.1Å; E14-W51 HydrophobicContact CB-CZ3 3.89Å; E14-W51 HydrophobicContact CG-CD2 4.2Å; E14-W51 HydrophobicContact CG-CE3 4.28Å; E14-W51 HydrophobicContact CG-CH2 4.15Å; E14-W51 HydrophobicContact CG-CZ2 4.04Å; E14-W51 HydrophobicContact CG-CZ3 4.27Å; E14-V118 HydrophobicContact CB-CG1 4.42Å; E14-V118 HydrophobicContact CG-CG1 4.22Å
15	Q	89.9	Confident	78.4	Confident	58 Å²	58	66.5 Å²	66.5	27%	0.271	41%	0.406	S	S	.	.	H	α-helix	trans	-64.6	-44	176.8	176.1	173	-10.9	0	0	111.2	V11 P12 V13 V17 L18 E19 I179	V11-Q15 HydrophobicContact CG1-CB 3.84Å; V11-Q15 HydrophobicContact CG1-CG 3.69Å; P12-Q15 HydrophobicContact CB-CB 4.3Å; P12-Q15 WeakPolarHBondContact O-CB 3.44Å; P12-Q15 PolarHBondContact O-N 3.45Å; V13-Q15 VanDerWaalsContact C-N 3.31Å; V13-Q15 PolarHBondContact O-N 3.48Å; Q15-V17 VanDerWaalsContact C-N 3.33Å; Q15-V17 PolarHBondContact O-N 3.06Å; Q15-L18 PolarHBondContact O-N 2.99Å; Q15-E19 HydrophobicContact CG-CG 4.34Å; Q15-E19 WeakPolarHBondContact CG-OE1 3.44Å; Q15-E19 PolarHBondContact NE2-OE1 3.3Å; Q15-E19 WeakPolarHBondContact O-CG 3.33Å; Q15-E19 PolarHBondContact O-N 3.18Å; Q15-I179 HydrophobicContact CG-CD1 3.91Å
16	A	90.9	Very high	80.7	Confident	40 Å²	40	60 Å²	60	33%	0.331	38%	0.376	S	S	.	.	H	α-helix	trans	-63.3	-37.9	178.6	0	0	0	0	0	112.7	P12 V13 T20	P12-A16 PolarHBondContact O-N 2.88Å; P12-A16 VanDerWaalsContact O-N 3.09Å; V13-A16 PolarHBondContact O-N 3.34Å; A16-T20 WeakPolarHBondContact O-CB 3.37Å; A16-T20 PolarHBondContact O-N 3.11Å; A16-T20 PolarHBondContact O-OG1 3.17Å
17	V	93.9	Very high	82.9	Confident	14 Å²	14	56.4 Å²	56.4	9%	0.085	35%	0.35	C	S	.	.	H	α-helix	trans	-61.6	-48.8	173.3	170.8	0	0	0	0	110.4	V13 E14 Q15 T20 F21 E40 W51 L55	V13-V17 WeakPolarHBondContact O-CG2 3.35Å; V13-V17 PolarHBondContact O-N 3.03Å; E14-V17 PolarHBondContact O-N 3.38Å; Q15-V17 VanDerWaalsContact C-N 3.33Å; Q15-V17 PolarHBondContact O-N 3.06Å; V17-T20 PolarHBondContact O-N 3.43Å; V17-F21 PolarHBondContact O-N 2.94Å; V17-E40 HydrophobicContact CG1-CB 4.31Å; V17-E40 HydrophobicContact CG1-CG 4.06Å; V17-E40 HydrophobicContact CG2-CG 4.01Å; V17-W51 HydrophobicContact CB-CH2 4.16Å; V17-W51 HydrophobicContact CB-CZ2 4.23Å; V17-W51 HydrophobicContact CG1-CH2 4.11Å; V17-W51 HydrophobicContact CG1-CZ2 4.11Å; V17-L55 HydrophobicContact CG1-CD2 4.29Å
18	L	95.3	Very high	85	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-62.2	-47.2	-179.9	-67.9	168.9	0	0	0	111.8	E14 Q15 T20 F21 F22 W51 L54 L58 L122 L125 I179	E14-L18 VanDerWaalsContact O-CG 3.24Å; E14-L18 WeakPolarHBondContact O-CG 3.34Å; E14-L18 PolarHBondContact O-N 2.99Å; Q15-L18 PolarHBondContact O-N 2.99Å; L18-T20 VanDerWaalsContact C-N 3.28Å; L18-T20 PolarHBondContact O-N 2.94Å; L18-F21 WeakPolarHBondContact O-CB 3.43Å; L18-F21 PolarHBondContact O-N 3.44Å; L18-F21 VanDerWaalsContact O-N 3.16Å; L18-F22 HydrophobicContact CB-CE2 4.47Å; L18-F22 HydrophobicContact CD2-CE2 4.37Å; L18-F22 WeakPolarHBondContact O-CD2 3.3Å; L18-F22 PolarHBondContact O-N 3.31Å; L18-W51 HydrophobicContact CD1-CZ3 4.08Å; L18-W51 HydrophobicContact CD2-CH2 4.29Å; L18-W51 HydrophobicContact CD2-CZ3 4.07Å; L18-W51 HydrophobicContact CG-CH2 4.03Å; L18-W51 HydrophobicContact CG-CZ3 3.99Å; L18-L54 HydrophobicContact CD2-CD2 4.02Å; L18-L58 HydrophobicContact CD2-CD1 3.52Å; L18-L122 HydrophobicContact CD1-CD2 4.32Å; L18-L125 HydrophobicContact CD1-CD1 3.63Å; L18-I179 HydrophobicContact CB-CG2 3.92Å
19	E	95	Very high	86.9	Confident	80 Å²	80	45.2 Å²	45.2	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-58.1	-41.5	176.5	-73.5	175.3	-176.2	0	0	111.7	Q15 S23 I179	Q15-E19 HydrophobicContact CG-CG 4.34Å; Q15-E19 WeakPolarHBondContact CG-OE1 3.44Å; Q15-E19 PolarHBondContact NE2-OE1 3.3Å; Q15-E19 WeakPolarHBondContact O-CG 3.33Å; Q15-E19 PolarHBondContact O-N 3.18Å; E19-S23 WeakPolarHBondContact O-CB 3.47Å; E19-S23 PolarHBondContact O-N 3.41Å; E19-I179 HydrophobicContact CG-CG1 4.01Å; E19-I179 HydrophobicContact CG-CG2 4.43Å
20	T	95.1	Very high	88.8	Confident	58 Å²	58	41.8 Å²	41.8	36%	0.356	25%	0.246	S	C	.	.	H	α-helix	trans	-65.6	-42.6	176.2	-57.6	0	0	0	0	111.7	A16 V17 L18 H24 N36	A16-T20 WeakPolarHBondContact O-CB 3.37Å; A16-T20 PolarHBondContact O-N 3.11Å; A16-T20 PolarHBondContact O-OG1 3.17Å; V17-T20 PolarHBondContact O-N 3.43Å; L18-T20 VanDerWaalsContact C-N 3.28Å; L18-T20 PolarHBondContact O-N 2.94Å; T20-H24 PolarHBondContact O-N 3.25Å; T20-H24 VanDerWaalsContact O-N 3.08Å; T20-H24 PolarHBondContact O-ND1 2.94Å; T20-H24 VanDerWaalsContact O-ND1 3.15Å; T20-N36 VanDerWaalsContact CG2-ND2 3.3Å; T20-N36 WeakPolarHBondContact CG2-ND2 3.31Å
21	F	96.8	Very high	90.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.1	-53.2	175.9	171.7	-93.4	0	0	0	111.5	V17 L18 S23 H24 L25 A33 V37 L58 L61 A62	V17-F21 PolarHBondContact O-N 2.94Å; L18-F21 WeakPolarHBondContact O-CB 3.43Å; L18-F21 PolarHBondContact O-N 3.44Å; L18-F21 VanDerWaalsContact O-N 3.16Å; F21-S23 VanDerWaalsContact C-N 3.34Å; F21-S23 PolarHBondContact O-N 3.5Å; F21-H24 PolarHBondContact O-N 3.2Å; F21-L25 HydrophobicContact CE1-CD2 3.77Å; F21-L25 HydrophobicContact CZ-CD2 4.08Å; F21-L25 WeakPolarHBondContact O-CB 3.25Å; F21-L25 PolarHBondContact O-N 3.2Å; F21-A33 HydrophobicContact CD2-CB 3.86Å; F21-A33 VanDerWaalsContact CD2-O 3.29Å; F21-A33 WeakPolarHBondContact CD2-O 3.28Å; F21-A33 HydrophobicContact CE2-CB 3.8Å; F21-V37 HydrophobicContact CB-CG1 3.98Å; F21-V37 HydrophobicContact CD2-CB 4.4Å; F21-V37 HydrophobicContact CD2-CG1 3.4Å; F21-V37 HydrophobicContact CD2-CG2 4.11Å; F21-V37 HydrophobicContact CE2-CG1 4.14Å; F21-V37 HydrophobicContact CE2-CG2 4.13Å; F21-V37 HydrophobicContact CG-CG1 3.88Å; F21-L58 HydrophobicContact CD1-CB 4.48Å; F21-L58 HydrophobicContact CD1-CD1 4.19Å; F21-L58 HydrophobicContact CD1-CD2 4.17Å; F21-L58 HydrophobicContact CD2-CB 4.35Å; F21-L58 HydrophobicContact CE1-CB 4.04Å; F21-L58 HydrophobicContact CE1-CD1 4.41Å; F21-L58 HydrophobicContact CE1-CD2 3.67Å; F21-L58 HydrophobicContact CE1-CG 4.23Å; F21-L58 HydrophobicContact CE2-CB 3.87Å; F21-L58 WeakPolarHBondContact CE2-O 3.46Å; F21-L58 HydrophobicContact CG-CD1 4.43Å; F21-L58 HydrophobicContact CZ-CB 3.71Å; F21-L58 HydrophobicContact CZ-CD2 4.13Å; F21-L58 HydrophobicContact CZ-CG 4.4Å; F21-L58 VanDerWaalsContact CZ-O 3.23Å; F21-L58 WeakPolarHBondContact CZ-O 3.38Å; F21-L61 HydrophobicContact CE1-CD2 4.28Å; F21-L61 HydrophobicContact CZ-CD2 4.42Å; F21-A62 HydrophobicContact CE2-CB 4.09Å; F21-A62 HydrophobicContact CZ-CB 4.28Å
22	F	96.6	Very high	91.5	Very high	2 Å²	2	41 Å²	41	1%	0.009	23%	0.228	C	C	.	.	H	α-helix	trans	-68.9	-33.3	-177.9	-71.6	-67.8	0	0	0	112.3	L18 L25 G26 L58 L61 L129 I179 L180 P182 L183	L18-F22 HydrophobicContact CB-CE2 4.47Å; L18-F22 HydrophobicContact CD2-CE2 4.37Å; L18-F22 WeakPolarHBondContact O-CD2 3.3Å; L18-F22 PolarHBondContact O-N 3.31Å; F22-L25 HydrophobicContact CD1-CD2 4.12Å; F22-L25 HydrophobicContact CE1-CD2 4.33Å; F22-L25 PolarHBondContact O-N 2.97Å; F22-G26 PolarHBondContact O-N 3.32Å; F22-L58 HydrophobicContact CE1-CD2 4.48Å; F22-L58 HydrophobicContact CZ-CD2 3.86Å; F22-L61 HydrophobicContact CE1-CD2 4.5Å; F22-L129 HydrophobicContact CE1-CD2 3.99Å; F22-L129 HydrophobicContact CZ-CD1 4.22Å; F22-L129 HydrophobicContact CZ-CD2 4.1Å; F22-I179 VanDerWaalsContact CB-O 3.29Å; F22-I179 WeakPolarHBondContact CB-O 3.37Å; F22-I179 HydrophobicContact CD2-CG2 3.44Å; F22-I179 VanDerWaalsContact CD2-CG2 3.44Å; F22-I179 HydrophobicContact CE2-CG2 3.85Å; F22-I179 HydrophobicContact CG-CG2 4.45Å; F22-L180 HydrophobicContact CD1-CD2 3.9Å; F22-L180 HydrophobicContact CD2-CD2 4.03Å; F22-L180 HydrophobicContact CE1-CD2 3.4Å; F22-L180 VanDerWaalsContact CE1-CD2 3.4Å; F22-L180 HydrophobicContact CE2-CD2 3.55Å; F22-L180 HydrophobicContact CG-CD2 4.2Å; F22-L180 HydrophobicContact CZ-CD2 3.22Å; F22-P182 HydrophobicContact CB-CG 4.32Å; F22-P182 VanDerWaalsContact O-CB 3.22Å; F22-P182 WeakPolarHBondContact O-CB 3.3Å; F22-L183 HydrophobicContact CD1-CB 4.29Å; F22-L183 HydrophobicContact CE1-CD2 4.29Å
23	S	93.1	Very high	92.1	Very high	62 Å²	62	38.8 Å²	38.8	43%	0.434	21%	0.213	S	C	.	.	H	α-helix	trans	-58	-48.4	171	-179.2	0	0	0	0	111.5	E19 F21 L25 G26 I27	E19-S23 WeakPolarHBondContact O-CB 3.47Å; E19-S23 PolarHBondContact O-N 3.41Å; F21-S23 VanDerWaalsContact C-N 3.34Å; F21-S23 PolarHBondContact O-N 3.5Å; S23-L25 VanDerWaalsContact C-N 3.32Å; S23-L25 PolarHBondContact O-N 3.16Å; S23-G26 PolarHBondContact O-N 3.15Å; S23-I27 WeakPolarHBondContact O-CG1 3.4Å; S23-I27 PolarHBondContact O-N 3.49Å
24	H	92.6	Very high	92.6	Very high	47 Å²	47	37.5 Å²	37.5	22%	0.218	20%	0.2	C	C	.	.	H	α-helix	trans	-61.5	-39.5	174.4	-72	136.3	0	0	0	112.8	T20 F21 I27 F28 S29 A33	T20-H24 PolarHBondContact O-N 3.25Å; T20-H24 VanDerWaalsContact O-N 3.08Å; T20-H24 PolarHBondContact O-ND1 2.94Å; T20-H24 VanDerWaalsContact O-ND1 3.15Å; F21-H24 PolarHBondContact O-N 3.2Å; H24-I27 VanDerWaalsContact O-CG1 3.3Å; H24-I27 WeakPolarHBondContact O-CG1 3.31Å; H24-I27 PolarHBondContact O-N 3.43Å; H24-F28 PolarHBondContact O-N 3.09Å; H24-S29 WeakPolarHBondContact O-CA 3.36Å; H24-S29 WeakPolarHBondContact O-CB 3.36Å; H24-S29 PolarHBondContact O-N 2.67Å; H24-A33 HydrophobicContact CB-CB 3.74Å
25	L	92	Very high	93	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-66.4	-44.5	-179.5	-163.4	64	0	0	0	111.7	F21 F22 S23 I27 F28 Y30 L61 A62 E65 L183	F21-L25 HydrophobicContact CE1-CD2 3.77Å; F21-L25 HydrophobicContact CZ-CD2 4.08Å; F21-L25 WeakPolarHBondContact O-CB 3.25Å; F21-L25 PolarHBondContact O-N 3.2Å; F22-L25 HydrophobicContact CD1-CD2 4.12Å; F22-L25 HydrophobicContact CE1-CD2 4.33Å; F22-L25 PolarHBondContact O-N 2.97Å; S23-L25 VanDerWaalsContact C-N 3.32Å; S23-L25 PolarHBondContact O-N 3.16Å; L25-I27 PolarHBondContact O-N 3.27Å; L25-F28 PolarHBondContact O-N 2.89Å; L25-Y30 HydrophobicContact CD1-CD1 3.51Å; L25-Y30 HydrophobicContact CD1-CE1 3.6Å; L25-L61 HydrophobicContact CD2-CD2 3.96Å; L25-L61 HydrophobicContact CD2-CG 4.26Å; L25-A62 HydrophobicContact CD1-CB 4.42Å; L25-E65 HydrophobicContact CD1-CB 4.29Å; L25-E65 HydrophobicContact CD1-CG 4.26Å; L25-L183 HydrophobicContact CD2-CD1 3.57Å; L25-L183 HydrophobicContact CG-CD1 4.14Å
26	G	89.6	Confident	93.2	Very high	15 Å²	15	37.7 Å²	37.7	16%	0.155	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-22	178.5	0	0	0	0	0	114	F22 S23 P182	F22-G26 PolarHBondContact O-N 3.32Å; S23-G26 PolarHBondContact O-N 3.15Å; G26-P182 WeakPolarHBondContact CA-O 3.32Å
27	I	88.1	Confident	93.4	Very high	42 Å²	42	35.9 Å²	35.9	22%	0.215	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	20.1	174.3	70.2	165.4	0	0	0	113.3	S23 H24 L25 S29 Q233	S23-I27 WeakPolarHBondContact O-CG1 3.4Å; S23-I27 PolarHBondContact O-N 3.49Å; H24-I27 VanDerWaalsContact O-CG1 3.3Å; H24-I27 WeakPolarHBondContact O-CG1 3.31Å; H24-I27 PolarHBondContact O-N 3.43Å; L25-I27 PolarHBondContact O-N 3.27Å; I27-S29 PolarHBondContact O-N 3.32Å; I27-S29 VanDerWaalsContact O-N 3.09Å; I27-Q233 VanDerWaalsContact CG2-NE2 3.28Å
28	F	90.1	Very high	93.5	Very high	20 Å²	20	38.9 Å²	38.9	9%	0.088	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	21.5	176.2	-47.3	-90.9	0	0	0	113.8	H24 L25 Y30 H69 S186 W226 P252 F255	H24-F28 PolarHBondContact O-N 3.09Å; L25-F28 PolarHBondContact O-N 2.89Å; F28-Y30 VanDerWaalsContact C-N 3.28Å; F28-Y30 HydrophobicContact CB-CE2 4.09Å; F28-Y30 WeakPolarHBondContact CD1-OH 3.25Å; F28-Y30 WeakPolarHBondContact O-CD2 3.28Å; F28-Y30 PolarHBondContact O-N 2.48Å; F28-H69 AromaticContact CE1-CD2 3.84Å; F28-H69 AromaticContact CE1-NE2 3.6Å; F28-S186 WeakPolarHBondContact CE1-OG 3.42Å; F28-S186 WeakPolarHBondContact CZ-OG 3.15Å; F28-W226 AromaticContact CD2-NE1 3.97Å; F28-W226 AromaticContact CE2-NE1 3.21Å; F28-W226 AromaticContact CZ-NE1 3.8Å; F28-P252 HydrophobicContact CB-CG 3.82Å; F28-P252 HydrophobicContact CD1-CG 3.63Å; F28-P252 HydrophobicContact CE1-CG 4.44Å; F28-P252 HydrophobicContact CG-CG 3.76Å; F28-F255 HydrophobicContact CD1-CE2 4.49Å; F28-F255 HydrophobicContact CE1-CD2 4.17Å; F28-F255 AromaticContact CE1-CE2 3.48Å; F28-F255 HydrophobicContact CE1-CE2 3.48Å; F28-F255 VanDerWaalsContact CE1-CE2 3.48Å; F28-F255 HydrophobicContact CE1-CZ 4.08Å; F28-F255 HydrophobicContact CZ-CD2 4.37Å; F28-F255 AromaticContact CZ-CE2 3.57Å; F28-F255 HydrophobicContact CZ-CE2 3.57Å; F28-F255 AromaticContact CZ-CZ 3.68Å; F28-F255 HydrophobicContact CZ-CZ 3.68Å
29	S	90	Very high	93.4	Very high	13 Å²	13	45.9 Å²	45.9	9%	0.091	23%	0.233	C	C	.	.			trans	-91.5	58.1	178.9	-67.7	0	0	0	0	111	H24 I27 D31 K32 A33	H24-S29 WeakPolarHBondContact O-CA 3.36Å; H24-S29 WeakPolarHBondContact O-CB 3.36Å; H24-S29 PolarHBondContact O-N 2.67Å; I27-S29 PolarHBondContact O-N 3.32Å; I27-S29 VanDerWaalsContact O-N 3.09Å; S29-D31 PolarHBondContact O-N 3.16Å; S29-K32 PolarHBondContact O-N 3.19Å; S29-K32 VanDerWaalsContact O-N 3.08Å; S29-A33 PolarHBondContact O-N 3.16Å
30	Y	93.1	Very high	93.3	Very high	15 Å²	15	44 Å²	44	6%	0.059	22%	0.224	C	C	.	.	H	α-helix	trans	-55	-43.5	-171.7	-58.7	-59.1	0	0	0	114.6	L25 F28 K32 A33 K34 E65 K66 H69	L25-Y30 HydrophobicContact CD1-CD1 3.51Å; L25-Y30 HydrophobicContact CD1-CE1 3.6Å; F28-Y30 VanDerWaalsContact C-N 3.28Å; F28-Y30 HydrophobicContact CB-CE2 4.09Å; F28-Y30 WeakPolarHBondContact CD1-OH 3.25Å; F28-Y30 WeakPolarHBondContact O-CD2 3.28Å; F28-Y30 PolarHBondContact O-N 2.48Å; Y30-K32 VanDerWaalsContact C-N 3.32Å; Y30-K32 PolarHBondContact O-N 3.37Å; Y30-A33 PolarHBondContact O-N 3.27Å; Y30-K34 WeakPolarHBondContact O-CB 3.45Å; Y30-K34 PolarHBondContact O-N 3.01Å; Y30-E65 HydrophobicContact CD1-CB 3.78Å; Y30-E65 HydrophobicContact CE1-CB 3.36Å; Y30-E65 HydrophobicContact CE1-CG 4.39Å; Y30-K66 HydrophobicContact CD2-CB 3.7Å; Y30-K66 HydrophobicContact CD2-CG 4.01Å; Y30-K66 HydrophobicContact CE2-CB 4.49Å; Y30-K66 HydrophobicContact CG-CB 3.77Å; Y30-K66 HydrophobicContact CG-CG 4.4Å; Y30-H69 HydrophobicContact CE2-CB 4.48Å; Y30-H69 AromaticContact CZ-ND1 3.63Å; Y30-H69 PolarHBondContact OH-CE1 3.47Å; Y30-H69 PolarHBondContact OH-ND1 2.66Å
31	D	92.4	Very high	93.2	Very high	88 Å²	88	46.1 Å²	46.1	47%	0.471	23%	0.225	S	C	.	.	H	α-helix	trans	-64.7	-39.4	-179.6	-62.2	-45	0	0	0	110.9	S29 K34 D35 K66	S29-D31 PolarHBondContact O-N 3.16Å; D31-K34 PolarHBondContact O-N 3.36Å; D31-D35 WeakPolarHBondContact O-CB 3.24Å; D31-D35 PolarHBondContact O-N 2.7Å; D31-K66 IonicContact OD1-NZ 3.28Å; D31-K66 PolarHBondContact OD1-NZ 3.28Å; D31-K66 IonicContact OD2-NZ 3.57Å; D31-K66 PolarHBondContact OD2-NZ 3.19Å
32	K	92.1	Very high	92.9	Very high	103 Å²	103	51 Å²	51	45%	0.448	25%	0.248	S	C	.	.	H	α-helix	trans	-68.8	-39.7	175.6	-65.7	-169.2	174.5	-161.2	0	112.8	S29 Y30 K34 D35 N36	S29-K32 PolarHBondContact O-N 3.19Å; S29-K32 VanDerWaalsContact O-N 3.08Å; Y30-K32 VanDerWaalsContact C-N 3.32Å; Y30-K32 PolarHBondContact O-N 3.37Å; K32-K34 VanDerWaalsContact C-N 3.32Å; K32-D35 PolarHBondContact O-N 3.42Å; K32-N36 VanDerWaalsContact O-CB 3.27Å; K32-N36 WeakPolarHBondContact O-CB 3.28Å; K32-N36 PolarHBondContact O-N 3.24Å
33	A	95.1	Very high	92.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.8	-47.9	175.8	0	0	0	0	0	109.7	F21 H24 S29 Y30 N36 V37 A62	F21-A33 HydrophobicContact CD2-CB 3.86Å; F21-A33 VanDerWaalsContact CD2-O 3.29Å; F21-A33 WeakPolarHBondContact CD2-O 3.28Å; F21-A33 HydrophobicContact CE2-CB 3.8Å; H24-A33 HydrophobicContact CB-CB 3.74Å; S29-A33 PolarHBondContact O-N 3.16Å; Y30-A33 PolarHBondContact O-N 3.27Å; A33-N36 WeakPolarHBondContact O-CB 3.3Å; A33-N36 PolarHBondContact O-N 3.12Å; A33-V37 PolarHBondContact O-N 3.44Å; A33-A62 HydrophobicContact CB-CB 4.18Å
34	K	96.5	Very high	92.2	Very high	71 Å²	71	54.3 Å²	54.3	31%	0.309	27%	0.271	S	S	.	.	H	α-helix	trans	-60.3	-52.3	176.1	-174.4	-179.1	169.3	-175.6	0	112.3	Y30 D31 K32 N36 V37 E38 A59 A62	Y30-K34 WeakPolarHBondContact O-CB 3.45Å; Y30-K34 PolarHBondContact O-N 3.01Å; D31-K34 PolarHBondContact O-N 3.36Å; K32-K34 VanDerWaalsContact C-N 3.32Å; K34-N36 PolarHBondContact O-N 3.4Å; K34-V37 VanDerWaalsContact O-CG2 3.27Å; K34-V37 WeakPolarHBondContact O-CG2 3.36Å; K34-V37 PolarHBondContact O-N 3.39Å; K34-E38 WeakPolarHBondContact CE-OE1 3.43Å; K34-E38 HydrophobicContact CG-CG 4.34Å; K34-E38 IonicContact NZ-OE1 3.99Å; K34-E38 WeakPolarHBondContact O-CG 3.48Å; K34-E38 PolarHBondContact O-N 3.08Å; K34-A59 HydrophobicContact CG-CB 4.2Å; K34-A62 HydrophobicContact CB-CB 3.96Å
35	D	95.3	Very high	91.7	Very high	78 Å²	78	58.6 Å²	58.6	42%	0.417	29%	0.289	S	S	.	.	H	α-helix	trans	-58.6	-34.6	-179.8	-69.5	-12.6	0	0	0	112.1	D31 K32 K39	D31-D35 WeakPolarHBondContact O-CB 3.24Å; D31-D35 PolarHBondContact O-N 2.7Å; K32-D35 PolarHBondContact O-N 3.42Å; D35-K39 WeakPolarHBondContact O-CB 3.39Å; D35-K39 WeakPolarHBondContact O-CD 3.42Å; D35-K39 WeakPolarHBondContact O-CG 3.47Å; D35-K39 PolarHBondContact O-N 2.98Å
36	N	93.7	Very high	91	Very high	40 Å²	40	64.2 Å²	64.2	21%	0.214	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-52.5	178.3	174.4	-77.7	0	0	0	111.4	T20 K32 A33 K34 K39 E40	T20-N36 VanDerWaalsContact CG2-ND2 3.3Å; T20-N36 WeakPolarHBondContact CG2-ND2 3.31Å; K32-N36 VanDerWaalsContact O-CB 3.27Å; K32-N36 WeakPolarHBondContact O-CB 3.28Å; K32-N36 PolarHBondContact O-N 3.24Å; A33-N36 WeakPolarHBondContact O-CB 3.3Å; A33-N36 PolarHBondContact O-N 3.12Å; K34-N36 PolarHBondContact O-N 3.4Å; N36-K39 PolarHBondContact O-N 3.46Å; N36-E40 PolarHBondContact O-N 3.44Å; N36-E40 VanDerWaalsContact O-N 3.17Å
37	V	95.8	Very high	90.4	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.006	34%	0.335	C	S	.	.	H	α-helix	trans	-74.9	-29	-177.8	-67.2	0	0	0	0	112.9	F21 A33 K34 R41 L55 L58 A59	F21-V37 HydrophobicContact CB-CG1 3.98Å; F21-V37 HydrophobicContact CD2-CB 4.4Å; F21-V37 HydrophobicContact CD2-CG1 3.4Å; F21-V37 HydrophobicContact CD2-CG2 4.11Å; F21-V37 HydrophobicContact CE2-CG1 4.14Å; F21-V37 HydrophobicContact CE2-CG2 4.13Å; F21-V37 HydrophobicContact CG-CG1 3.88Å; A33-V37 PolarHBondContact O-N 3.44Å; K34-V37 VanDerWaalsContact O-CG2 3.27Å; K34-V37 WeakPolarHBondContact O-CG2 3.36Å; K34-V37 PolarHBondContact O-N 3.39Å; V37-R41 VanDerWaalsContact O-CB 3.28Å; V37-R41 WeakPolarHBondContact O-CB 3.29Å; V37-R41 PolarHBondContact O-N 3.28Å; V37-L55 HydrophobicContact CB-CD2 3.9Å; V37-L55 HydrophobicContact CG1-CD2 3.86Å; V37-L58 HydrophobicContact CG1-CB 4.25Å; V37-L58 HydrophobicContact CG1-CD1 4.29Å; V37-L58 HydrophobicContact CG2-CB 4.35Å; V37-A59 HydrophobicContact CG2-CB 3.89Å
38	E	94.8	Very high	90	Very high	77 Å²	77	63.6 Å²	63.6	36%	0.36	33%	0.329	S	S	.	.	H	α-helix	trans	-68.3	-41.5	173.7	-74.4	-176.6	159.2	0	0	111.7	K34 R41 E42 A59	K34-E38 WeakPolarHBondContact CE-OE1 3.43Å; K34-E38 HydrophobicContact CG-CG 4.34Å; K34-E38 IonicContact NZ-OE1 3.99Å; K34-E38 WeakPolarHBondContact O-CG 3.48Å; K34-E38 PolarHBondContact O-N 3.08Å; E38-R41 PolarHBondContact O-N 2.9Å; E38-E42 WeakPolarHBondContact O-CG 3.48Å; E38-E42 PolarHBondContact O-N 3.24Å; E38-A59 HydrophobicContact CG-CB 4.11Å
39	K	94	Very high	89.6	Confident	149 Å²	149	65 Å²	65	65%	0.648	35%	0.35	S	S	*	.	H	α-helix	trans	-61.3	-44.5	173.7	-76.6	172.2	-176.3	178	0	111.9	D35 N36 R41 E42 A43	D35-K39 WeakPolarHBondContact O-CB 3.39Å; D35-K39 WeakPolarHBondContact O-CD 3.42Å; D35-K39 WeakPolarHBondContact O-CG 3.47Å; D35-K39 PolarHBondContact O-N 2.98Å; N36-K39 PolarHBondContact O-N 3.46Å; K39-R41 VanDerWaalsContact C-N 3.31Å; K39-R41 PolarHBondContact O-N 2.89Å; K39-E42 PolarHBondContact O-N 2.91Å; K39-A43 WeakPolarHBondContact O-CB 3.48Å; K39-A43 PolarHBondContact O-N 2.85Å
40	E	93.2	Very high	89.4	Confident	41 Å²	41	65.3 Å²	65.3	19%	0.192	35%	0.352	C	S	.	.	H	α-helix	trans	-62	-41.8	178	-172.3	64.1	-165.4	0	0	111.7	V17 N36 A43 N44 W51 L55	V17-E40 HydrophobicContact CG1-CB 4.31Å; V17-E40 HydrophobicContact CG1-CG 4.06Å; V17-E40 HydrophobicContact CG2-CG 4.01Å; N36-E40 PolarHBondContact O-N 3.44Å; N36-E40 VanDerWaalsContact O-N 3.17Å; E40-A43 PolarHBondContact O-N 3.12Å; E40-N44 VanDerWaalsContact CD-ND2 3.25Å; E40-N44 WeakPolarHBondContact O-CB 3.41Å; E40-N44 PolarHBondContact O-N 3.18Å; E40-N44 PolarHBondContact O-ND2 2.5Å; E40-N44 PolarHBondContact OE1-ND2 2.69Å; E40-W51 HydrophobicContact CG-CZ2 4.16Å; E40-L55 HydrophobicContact CB-CD1 4.16Å; E40-L55 HydrophobicContact CG-CD1 3.94Å
41	R	91.6	Very high	89.2	Confident	102 Å²	102	64.9 Å²	64.9	39%	0.385	35%	0.35	S	S	.	.	H	α-helix	trans	-64.6	-40.5	177.7	-173.5	179.1	169.9	-81.6	-1.3	112.3	V37 E38 K39 L52 L55	V37-R41 VanDerWaalsContact O-CB 3.28Å; V37-R41 WeakPolarHBondContact O-CB 3.29Å; V37-R41 PolarHBondContact O-N 3.28Å; E38-R41 PolarHBondContact O-N 2.9Å; K39-R41 VanDerWaalsContact C-N 3.31Å; K39-R41 PolarHBondContact O-N 2.89Å; R41-L52 HydrophobicContact CG-CD2 3.87Å; R41-L55 HydrophobicContact CB-CB 4.27Å; R41-L55 HydrophobicContact CB-CD1 3.94Å
42	E	90.4	Very high	89.2	Confident	102 Å²	102	62.4 Å²	62.4	48%	0.477	34%	0.337	S	S	.	.	H	α-helix	trans	-71.8	-33.9	177.6	-72.3	-61.7	124.8	0	0	112.7	E38 K39 K45	E38-E42 WeakPolarHBondContact O-CG 3.48Å; E38-E42 PolarHBondContact O-N 3.24Å; K39-E42 PolarHBondContact O-N 2.91Å; E42-K45 VanDerWaalsContact CD-CE 3.48Å; E42-K45 WeakPolarHBondContact O-CE 3.23Å; E42-K45 WeakPolarHBondContact OE2-CE 3.46Å; E42-K45 IonicContact OE2-NZ 3.19Å; E42-K45 PolarHBondContact OE2-NZ 2.82Å
43	A	89.6	Confident	89.2	Confident	76 Å²	76	60.5 Å²	60.5	63%	0.628	34%	0.337	S	S	*	.	H	α-helix	trans	-70.7	-31.5	176.3	0	0	0	0	0	112.6	K39 E40	K39-A43 WeakPolarHBondContact O-CB 3.48Å; K39-A43 PolarHBondContact O-N 2.85Å; E40-A43 PolarHBondContact O-N 3.12Å
44	N	86.6	Confident	89.1	Confident	57 Å²	57	60.6 Å²	60.6	31%	0.305	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	44.7	-171.5	-63.8	-73.8	0	0	0	113.6	E40 S46 A47	E40-N44 VanDerWaalsContact CD-ND2 3.25Å; E40-N44 WeakPolarHBondContact O-CB 3.41Å; E40-N44 PolarHBondContact O-N 3.18Å; E40-N44 PolarHBondContact O-ND2 2.5Å; E40-N44 PolarHBondContact OE1-ND2 2.69Å; N44-S46 PolarHBondContact O-N 3.37Å; N44-A47 HydrophobicContact CB-CB 4.04Å; N44-A47 VanDerWaalsContact O-CB 3.23Å; N44-A47 WeakPolarHBondContact O-CB 3.42Å; N44-A47 PolarHBondContact O-N 2.95Å
45	K	82.1	Confident	89.1	Confident	137 Å²	137	57.2 Å²	57.2	60%	0.596	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-19.9	-177.8	-69.6	178.9	-176.6	-179.9	0	115.2	E42	E42-K45 VanDerWaalsContact CD-CE 3.48Å; E42-K45 WeakPolarHBondContact O-CE 3.23Å; E42-K45 WeakPolarHBondContact OE2-CE 3.46Å; E42-K45 IonicContact OE2-NZ 3.19Å; E42-K45 PolarHBondContact OE2-NZ 2.82Å
46	S	77.1	Confident	89.1	Confident	122 Å²	122	55.4 Å²	55.4	85%	0.853	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	4.5	177.3	57.4	0	0	0	0	114.2	N44	N44-S46 PolarHBondContact O-N 3.37Å
47	A	77.4	Confident	89.2	Confident	34 Å²	34	53.6 Å²	53.6	28%	0.281	31%	0.309	S	S	.	.	S	Bend	trans	-69.6	169.8	177.7	0	0	0	0	0	112.6	N44 L52	N44-A47 HydrophobicContact CB-CB 4.04Å; N44-A47 VanDerWaalsContact O-CB 3.23Å; N44-A47 WeakPolarHBondContact O-CB 3.42Å; N44-A47 PolarHBondContact O-N 2.95Å; A47-L52 HydrophobicContact CB-CG 4.44Å
48	G	78.3	Confident	89.3	Confident	9 Å²	9	53.5 Å²	53.5	9%	0.093	31%	0.308	C	S	.	.			trans	-53.8	142.6	179.2	0	0	0	0	0	113.1	S50 W51 L52	G48-S50 VanDerWaalsContact C-N 3.27Å; G48-S50 PolarHBondContact O-N 3.07Å; G48-W51 PolarHBondContact O-N 3.46Å; G48-W51 VanDerWaalsContact O-N 3.16Å; G48-L52 PolarHBondContact O-N 3.29Å; G48-L52 VanDerWaalsContact O-N 3.16Å
49	G	83.3	Confident	89.5	Confident	50 Å²	50	50.4 Å²	50.4	52%	0.515	30%	0.295	S	S	.	.	H	α-helix	trans	-62.4	-31.5	-174.4	0	0	0	0	0	113.9	S53	G49-S53 VanDerWaalsContact O-CB 3.25Å; G49-S53 WeakPolarHBondContact O-CB 3.44Å; G49-S53 PolarHBondContact O-N 3.37Å; G49-S53 PolarHBondContact O-OG 2.69Å
50	S	84.9	Confident	89.6	Confident	19 Å²	19	45.6 Å²	45.6	13%	0.133	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-47.3	173.1	49	0	0	0	0	112.3	G48 S53 L54 E119	G48-S50 VanDerWaalsContact C-N 3.27Å; G48-S50 PolarHBondContact O-N 3.07Å; S50-S53 PolarHBondContact O-N 3.37Å; S50-L54 PolarHBondContact O-N 3.07Å; S50-E119 WeakPolarHBondContact CB-OE1 3.32Å; S50-E119 WeakPolarHBondContact CB-OE2 3.5Å; S50-E119 VanDerWaalsContact OG-CD 3.3Å; S50-E119 PolarHBondContact OG-OE1 3.12Å; S50-E119 PolarHBondContact OG-OE2 3.38Å
51	W	90	Very high	89.8	Confident	6 Å²	6	43.7 Å²	43.7	2%	0.023	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-50.6	177.7	178.4	-122.4	0	0	0	111.4	E14 V17 L18 E40 G48 S53 L54 L55 L122	E14-W51 HydrophobicContact CB-CE3 4.37Å; E14-W51 HydrophobicContact CB-CH2 3.75Å; E14-W51 HydrophobicContact CB-CZ2 4.1Å; E14-W51 HydrophobicContact CB-CZ3 3.89Å; E14-W51 HydrophobicContact CG-CD2 4.2Å; E14-W51 HydrophobicContact CG-CE3 4.28Å; E14-W51 HydrophobicContact CG-CH2 4.15Å; E14-W51 HydrophobicContact CG-CZ2 4.04Å; E14-W51 HydrophobicContact CG-CZ3 4.27Å; V17-W51 HydrophobicContact CB-CH2 4.16Å; V17-W51 HydrophobicContact CB-CZ2 4.23Å; V17-W51 HydrophobicContact CG1-CH2 4.11Å; V17-W51 HydrophobicContact CG1-CZ2 4.11Å; L18-W51 HydrophobicContact CD1-CZ3 4.08Å; L18-W51 HydrophobicContact CD2-CH2 4.29Å; L18-W51 HydrophobicContact CD2-CZ3 4.07Å; L18-W51 HydrophobicContact CG-CH2 4.03Å; L18-W51 HydrophobicContact CG-CZ3 3.99Å; E40-W51 HydrophobicContact CG-CZ2 4.16Å; G48-W51 PolarHBondContact O-N 3.46Å; G48-W51 VanDerWaalsContact O-N 3.16Å; W51-S53 VanDerWaalsContact C-N 3.27Å; W51-S53 PolarHBondContact O-N 2.93Å; W51-L54 PolarHBondContact O-N 2.58Å; W51-L55 HydrophobicContact CD2-CD1 4.29Å; W51-L55 HydrophobicContact CD2-CG 4.21Å; W51-L55 HydrophobicContact CG-CD1 4.48Å; W51-L55 HydrophobicContact CH2-CD2 3.97Å; W51-L55 HydrophobicContact CZ2-CD1 4.1Å; W51-L55 HydrophobicContact CZ2-CD2 3.8Å; W51-L55 HydrophobicContact CZ2-CG 4.16Å; W51-L55 HydrophobicContact CZ3-CD2 4.45Å; W51-L55 WeakPolarHBondContact O-CG 3.25Å; W51-L55 PolarHBondContact O-N 3.03Å; W51-L122 HydrophobicContact CB-CD1 4.22Å; W51-L122 HydrophobicContact CE3-CD1 4.09Å; W51-L122 HydrophobicContact CE3-CD2 3.54Å; W51-L122 HydrophobicContact CE3-CG 4.47Å; W51-L122 HydrophobicContact CZ3-CD2 3.69Å
52	L	90.8	Very high	90.1	Very high	36 Å²	36	38.9 Å²	38.9	19%	0.188	25%	0.249	C	C	.	.	H	α-helix	trans	-62.2	-35.8	177.7	-68.1	175	0	0	0	112.5	R41 A47 G48 A56	R41-L52 HydrophobicContact CG-CD2 3.87Å; A47-L52 HydrophobicContact CB-CG 4.44Å; G48-L52 PolarHBondContact O-N 3.29Å; G48-L52 VanDerWaalsContact O-N 3.16Å; L52-A56 PolarHBondContact O-N 2.85Å; L52-A56 VanDerWaalsContact O-N 3.14Å
53	S	91.9	Very high	90.3	Very high	64 Å²	64	35.9 Å²	35.9	45%	0.448	24%	0.241	S	C	.	.	H	α-helix	trans	-68.1	-41.2	175.7	-62.6	0	0	0	0	111.8	G49 S50 W51 A56 A57	G49-S53 VanDerWaalsContact O-CB 3.25Å; G49-S53 WeakPolarHBondContact O-CB 3.44Å; G49-S53 PolarHBondContact O-N 3.37Å; G49-S53 PolarHBondContact O-OG 2.69Å; S50-S53 PolarHBondContact O-N 3.37Å; W51-S53 VanDerWaalsContact C-N 3.27Å; W51-S53 PolarHBondContact O-N 2.93Å; S53-A56 PolarHBondContact O-N 3.21Å; S53-A57 PolarHBondContact O-N 2.94Å
54	L	94.3	Very high	90.6	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-64.8	-47.5	175.1	-177.6	62.8	0	0	0	111.1	L18 S50 W51 A56 A57 L58 L101 V104 L122 L129	L18-L54 HydrophobicContact CD2-CD2 4.02Å; S50-L54 PolarHBondContact O-N 3.07Å; W51-L54 PolarHBondContact O-N 2.58Å; L54-A56 PolarHBondContact O-N 3.41Å; L54-A57 CarbonylContact O-C 3.58Å; L54-A57 WeakPolarHBondContact O-CA 3.32Å; L54-A57 WeakPolarHBondContact O-CB 3.46Å; L54-A57 PolarHBondContact O-N 3.18Å; L54-L58 HydrophobicContact CD1-CD1 4.48Å; L54-L58 HydrophobicContact CD1-CD2 4.3Å; L54-L58 HydrophobicContact CD1-CG 4.12Å; L54-L58 HydrophobicContact CD2-CD1 4.42Å; L54-L58 HydrophobicContact CG-CD1 4.02Å; L54-L58 HydrophobicContact CG-CG 4.09Å; L54-L58 WeakPolarHBondContact O-CG 3.47Å; L54-L58 PolarHBondContact O-N 3.06Å; L54-L101 HydrophobicContact CD1-CD2 4.14Å; L54-V104 HydrophobicContact CB-CG1 4.48Å; L54-L122 HydrophobicContact CD2-CB 4.45Å; L54-L122 HydrophobicContact CD2-CD2 3.45Å; L54-L122 VanDerWaalsContact CD2-CD2 3.45Å; L54-L122 HydrophobicContact CD2-CG 4.46Å; L54-L129 HydrophobicContact CD1-CD1 4.42Å
55	L	95.1	Very high	91	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-56.9	-39.2	178.3	-68.9	179.3	0	0	0	112	V17 V37 E40 R41 W51 L58 A59	V17-L55 HydrophobicContact CG1-CD2 4.29Å; V37-L55 HydrophobicContact CB-CD2 3.9Å; V37-L55 HydrophobicContact CG1-CD2 3.86Å; E40-L55 HydrophobicContact CB-CD1 4.16Å; E40-L55 HydrophobicContact CG-CD1 3.94Å; R41-L55 HydrophobicContact CB-CB 4.27Å; R41-L55 HydrophobicContact CB-CD1 3.94Å; W51-L55 HydrophobicContact CD2-CD1 4.29Å; W51-L55 HydrophobicContact CD2-CG 4.21Å; W51-L55 HydrophobicContact CG-CD1 4.48Å; W51-L55 HydrophobicContact CH2-CD2 3.97Å; W51-L55 HydrophobicContact CZ2-CD1 4.1Å; W51-L55 HydrophobicContact CZ2-CD2 3.8Å; W51-L55 HydrophobicContact CZ2-CG 4.16Å; W51-L55 HydrophobicContact CZ3-CD2 4.45Å; W51-L55 WeakPolarHBondContact O-CG 3.25Å; W51-L55 PolarHBondContact O-N 3.03Å; L55-L58 PolarHBondContact O-N 3.44Å; L55-A59 PolarHBondContact O-N 3.34Å
56	A	95.4	Very high	91.6	Very high	40 Å²	40	27.8 Å²	27.8	33%	0.331	19%	0.189	S	C	.	.	H	α-helix	trans	-63.4	-45.8	173.6	0	0	0	0	0	112.2	L52 S53 L54 L58 A59 H60	L52-A56 PolarHBondContact O-N 2.85Å; L52-A56 VanDerWaalsContact O-N 3.14Å; S53-A56 PolarHBondContact O-N 3.21Å; L54-A56 PolarHBondContact O-N 3.41Å; A56-L58 VanDerWaalsContact C-N 3.33Å; A56-L58 PolarHBondContact O-N 3.31Å; A56-A59 PolarHBondContact O-N 3.42Å; A56-H60 PolarHBondContact O-N 2.92Å; A56-H60 VanDerWaalsContact O-N 3.09Å
57	A	97.1	Very high	92.3	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-63.2	-36.9	176	0	0	0	0	0	112.2	S53 L54 H60 L61 L97 E100 L101	S53-A57 PolarHBondContact O-N 2.94Å; L54-A57 CarbonylContact O-C 3.58Å; L54-A57 WeakPolarHBondContact O-CA 3.32Å; L54-A57 WeakPolarHBondContact O-CB 3.46Å; L54-A57 PolarHBondContact O-N 3.18Å; A57-H60 WeakPolarHBondContact O-CB 3.44Å; A57-H60 PolarHBondContact O-N 2.93Å; A57-L61 WeakPolarHBondContact O-CB 3.38Å; A57-L61 PolarHBondContact O-N 3Å; A57-L97 HydrophobicContact CB-CD1 4.05Å; A57-L97 WeakPolarHBondContact O-CD1 3.12Å; A57-E100 HydrophobicContact CB-CB 4.32Å; A57-L101 HydrophobicContact CB-CD2 3.83Å; A57-L101 HydrophobicContact CB-CG 4.25Å
58	L	97.8	Very high	93.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.5	-38.9	176.8	-66.8	-180	0	0	0	112.3	L18 F21 F22 V37 L54 L55 A56 H60 L61 A62 L129	L18-L58 HydrophobicContact CD2-CD1 3.52Å; F21-L58 HydrophobicContact CD1-CB 4.48Å; F21-L58 HydrophobicContact CD1-CD1 4.19Å; F21-L58 HydrophobicContact CD1-CD2 4.17Å; F21-L58 HydrophobicContact CD2-CB 4.35Å; F21-L58 HydrophobicContact CE1-CB 4.04Å; F21-L58 HydrophobicContact CE1-CD1 4.41Å; F21-L58 HydrophobicContact CE1-CD2 3.67Å; F21-L58 HydrophobicContact CE1-CG 4.23Å; F21-L58 HydrophobicContact CE2-CB 3.87Å; F21-L58 WeakPolarHBondContact CE2-O 3.46Å; F21-L58 HydrophobicContact CG-CD1 4.43Å; F21-L58 HydrophobicContact CZ-CB 3.71Å; F21-L58 HydrophobicContact CZ-CD2 4.13Å; F21-L58 HydrophobicContact CZ-CG 4.4Å; F21-L58 VanDerWaalsContact CZ-O 3.23Å; F21-L58 WeakPolarHBondContact CZ-O 3.38Å; F22-L58 HydrophobicContact CE1-CD2 4.48Å; F22-L58 HydrophobicContact CZ-CD2 3.86Å; V37-L58 HydrophobicContact CG1-CB 4.25Å; V37-L58 HydrophobicContact CG1-CD1 4.29Å; V37-L58 HydrophobicContact CG2-CB 4.35Å; L54-L58 HydrophobicContact CD1-CD1 4.48Å; L54-L58 HydrophobicContact CD1-CD2 4.3Å; L54-L58 HydrophobicContact CD1-CG 4.12Å; L54-L58 HydrophobicContact CD2-CD1 4.42Å; L54-L58 HydrophobicContact CG-CD1 4.02Å; L54-L58 HydrophobicContact CG-CG 4.09Å; L54-L58 WeakPolarHBondContact O-CG 3.47Å; L54-L58 PolarHBondContact O-N 3.06Å; L55-L58 PolarHBondContact O-N 3.44Å; A56-L58 VanDerWaalsContact C-N 3.33Å; A56-L58 PolarHBondContact O-N 3.31Å; L58-H60 VanDerWaalsContact C-N 3.28Å; L58-H60 PolarHBondContact O-N 3Å; L58-L61 HydrophobicContact CD2-CD2 4.26Å; L58-L61 WeakPolarHBondContact O-CB 3.47Å; L58-L61 PolarHBondContact O-N 3.5Å; L58-A62 PolarHBondContact O-N 3.38Å; L58-L129 HydrophobicContact CD2-CD1 3.85Å
59	A	97.5	Very high	94	Very high	11 Å²	11	21.5 Å²	21.5	9%	0.091	14%	0.14	C	C	.	.	H	α-helix	trans	-61	-41	172.4	0	0	0	0	0	111.2	K34 V37 E38 L55 A56 A63	K34-A59 HydrophobicContact CG-CB 4.2Å; V37-A59 HydrophobicContact CG2-CB 3.89Å; E38-A59 HydrophobicContact CG-CB 4.11Å; L55-A59 PolarHBondContact O-N 3.34Å; A56-A59 PolarHBondContact O-N 3.42Å; A59-A63 PolarHBondContact O-N 3.14Å
60	H	96.8	Very high	94.3	Very high	48 Å²	48	20.6 Å²	20.6	22%	0.222	13%	0.126	C	C	.	.	H	α-helix	trans	-66.1	-43	174.6	-171.7	-178.2	0	0	0	111.9	A56 A57 L58 A62 A63 A64 L97 E100	A56-H60 PolarHBondContact O-N 2.92Å; A56-H60 VanDerWaalsContact O-N 3.09Å; A57-H60 WeakPolarHBondContact O-CB 3.44Å; A57-H60 PolarHBondContact O-N 2.93Å; L58-H60 VanDerWaalsContact C-N 3.28Å; L58-H60 PolarHBondContact O-N 3Å; H60-A62 PolarHBondContact O-N 3.13Å; H60-A63 PolarHBondContact O-N 3.34Å; H60-A64 WeakPolarHBondContact O-CB 3.21Å; H60-A64 PolarHBondContact O-N 3.42Å; H60-L97 HydrophobicContact CB-CD1 4.18Å; H60-E100 IonicContact CE1-OE1 3.49Å; H60-E100 PolarHBondContact CE1-OE1 3.2Å; H60-E100 IonicContact CE1-OE2 3.24Å; H60-E100 IonicContact CG-OE2 2.76Å; H60-E100 IonicContact ND1-OE1 2.61Å; H60-E100 PolarHBondContact ND1-OE1 3.06Å; H60-E100 VanDerWaalsContact ND1-OE1 3.07Å; H60-E100 IonicContact ND1-OE2 2.88Å; H60-E100 PolarHBondContact ND1-OE2 3.36Å
61	L	97.8	Very high	94.7	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-56.6	-47.4	174.4	175.7	62.5	0	0	0	112	F21 F22 L25 A57 L58 A63 A64 E65 L97 L129 F132 V133	F21-L61 HydrophobicContact CE1-CD2 4.28Å; F21-L61 HydrophobicContact CZ-CD2 4.42Å; F22-L61 HydrophobicContact CE1-CD2 4.5Å; L25-L61 HydrophobicContact CD2-CD2 3.96Å; L25-L61 HydrophobicContact CD2-CG 4.26Å; A57-L61 WeakPolarHBondContact O-CB 3.38Å; A57-L61 PolarHBondContact O-N 3Å; L58-L61 HydrophobicContact CD2-CD2 4.26Å; L58-L61 WeakPolarHBondContact O-CB 3.47Å; L58-L61 PolarHBondContact O-N 3.5Å; L61-A63 VanDerWaalsContact C-N 3.3Å; L61-A63 PolarHBondContact O-N 3.13Å; L61-A64 PolarHBondContact O-N 2.88Å; L61-A64 VanDerWaalsContact O-N 3.17Å; L61-E65 HydrophobicContact CD1-CG 3.96Å; L61-E65 HydrophobicContact CG-CG 4.42Å; L61-E65 WeakPolarHBondContact O-CG 2.86Å; L61-E65 PolarHBondContact O-N 2.92Å; L61-L97 HydrophobicContact CB-CD1 4.36Å; L61-L97 HydrophobicContact CB-CD2 3.82Å; L61-L97 HydrophobicContact CD1-CD2 3.73Å; L61-L97 HydrophobicContact CG-CD2 4.37Å; L61-L129 HydrophobicContact CD2-CD2 4.04Å; L61-F132 HydrophobicContact CD1-CD1 4.34Å; L61-F132 HydrophobicContact CD1-CE1 4.01Å; L61-V133 HydrophobicContact CD1-CG2 4.47Å
62	A	97.1	Very high	94.7	Very high	1 Å²	1	22 Å²	22	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-60.5	-40.2	178.5	0	0	0	0	0	112.1	F21 L25 A33 K34 L58 H60 K66	F21-A62 HydrophobicContact CE2-CB 4.09Å; F21-A62 HydrophobicContact CZ-CB 4.28Å; L25-A62 HydrophobicContact CD1-CB 4.42Å; A33-A62 HydrophobicContact CB-CB 4.18Å; K34-A62 HydrophobicContact CB-CB 3.96Å; L58-A62 PolarHBondContact O-N 3.38Å; H60-A62 PolarHBondContact O-N 3.13Å; A62-K66 PolarHBondContact O-N 3.39Å
63	A	94.9	Very high	94.5	Very high	39 Å²	39	21 Å²	21	32%	0.322	13%	0.128	S	C	.	.	H	α-helix	trans	-66.4	-41.8	174.3	0	0	0	0	0	112.3	A59 H60 L61 K66 V67	A59-A63 PolarHBondContact O-N 3.14Å; H60-A63 PolarHBondContact O-N 3.34Å; L61-A63 VanDerWaalsContact C-N 3.3Å; L61-A63 PolarHBondContact O-N 3.13Å; A63-K66 WeakPolarHBondContact O-CB 3.46Å; A63-K66 PolarHBondContact O-N 3.02Å; A63-V67 WeakPolarHBondContact O-CG2 3.34Å; A63-V67 PolarHBondContact O-N 2.82Å
64	A	95.8	Very high	94.3	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-62.5	-48.4	177.8	0	0	0	0	0	111.7	H60 L61 K66 V67 Y68 I93 Y94	H60-A64 WeakPolarHBondContact O-CB 3.21Å; H60-A64 PolarHBondContact O-N 3.42Å; L61-A64 PolarHBondContact O-N 2.88Å; L61-A64 VanDerWaalsContact O-N 3.17Å; A64-K66 VanDerWaalsContact C-N 3.29Å; A64-K66 PolarHBondContact O-N 3.22Å; A64-V67 PolarHBondContact O-N 2.95Å; A64-V67 VanDerWaalsContact O-N 3.11Å; A64-Y68 WeakPolarHBondContact O-CB 3.47Å; A64-Y68 PolarHBondContact O-N 2.89Å; A64-I93 HydrophobicContact CB-CG2 3.62Å; A64-Y94 HydrophobicContact CB-CD1 4.23Å; A64-Y94 HydrophobicContact CB-CE1 3.81Å
65	E	95.9	Very high	93.3	Very high	3 Å²	3	19 Å²	19	1%	0.014	12%	0.119	C	C	.	.	H	α-helix	trans	-62	-35.3	178.4	-71.5	-67	110.7	0	0	112.2	L25 Y30 L61 Y68 H69 Y94 F132 R136	L25-E65 HydrophobicContact CD1-CB 4.29Å; L25-E65 HydrophobicContact CD1-CG 4.26Å; Y30-E65 HydrophobicContact CD1-CB 3.78Å; Y30-E65 HydrophobicContact CE1-CB 3.36Å; Y30-E65 HydrophobicContact CE1-CG 4.39Å; L61-E65 HydrophobicContact CD1-CG 3.96Å; L61-E65 HydrophobicContact CG-CG 4.42Å; L61-E65 WeakPolarHBondContact O-CG 2.86Å; L61-E65 PolarHBondContact O-N 2.92Å; E65-Y68 PolarHBondContact O-N 3.07Å; E65-H69 PolarHBondContact O-N 2.66Å; E65-H69 PolarHBondContact O-ND1 3.05Å; E65-H69 IonicContact OE2-CE1 2.65Å; E65-H69 PolarHBondContact OE2-CE1 3.13Å; E65-H69 VanDerWaalsContact OE2-CE1 3.27Å; E65-H69 IonicContact OE2-ND1 2.99Å; E65-Y94 PolarHBondContact OE1-OH 3.49Å; E65-F132 WeakPolarHBondContact OE1-CE1 3.45Å; E65-R136 IonicContact OE1-CZ 3Å; E65-R136 IonicContact OE1-NE 3.25Å; E65-R136 PolarHBondContact OE1-NE 3.03Å; E65-R136 IonicContact OE2-CZ 2.95Å; E65-R136 VanDerWaalsContact OE2-CZ 3.28Å; E65-R136 IonicContact OE2-NE 2.67Å; E65-R136 PolarHBondContact OE2-NE 2.87Å; E65-R136 IonicContact OE2-NH2 3.94Å; E65-R136 PolarHBondContact OE2-NH2 2.79Å
66	K	93.8	Very high	92.1	Very high	95 Å²	95	22.1 Å²	22.1	41%	0.413	13%	0.133	S	C	.	.	H	α-helix	trans	-61.6	-45.6	173.5	-174.3	175.3	179.5	171.3	0	111.7	Y30 D31 A62 A63 A64 S70	Y30-K66 HydrophobicContact CD2-CB 3.7Å; Y30-K66 HydrophobicContact CD2-CG 4.01Å; Y30-K66 HydrophobicContact CE2-CB 4.49Å; Y30-K66 HydrophobicContact CG-CB 3.77Å; Y30-K66 HydrophobicContact CG-CG 4.4Å; D31-K66 IonicContact OD1-NZ 3.28Å; D31-K66 PolarHBondContact OD1-NZ 3.28Å; D31-K66 IonicContact OD2-NZ 3.57Å; D31-K66 PolarHBondContact OD2-NZ 3.19Å; A62-K66 PolarHBondContact O-N 3.39Å; A63-K66 WeakPolarHBondContact O-CB 3.46Å; A63-K66 PolarHBondContact O-N 3.02Å; A64-K66 VanDerWaalsContact C-N 3.29Å; A64-K66 PolarHBondContact O-N 3.22Å; K66-S70 WeakPolarHBondContact O-CB 3.41Å; K66-S70 PolarHBondContact O-N 3.05Å
67	V	92.5	Very high	90.2	Very high	31 Å²	31	28.9 Å²	28.9	19%	0.188	16%	0.155	C	C	.	.	H	α-helix	trans	-65.7	-43.8	176.9	177.4	0	0	0	0	110.2	A63 A64 S70 L71 I90	A63-V67 WeakPolarHBondContact O-CG2 3.34Å; A63-V67 PolarHBondContact O-N 2.82Å; A64-V67 PolarHBondContact O-N 2.95Å; A64-V67 VanDerWaalsContact O-N 3.11Å; V67-S70 PolarHBondContact O-N 3.34Å; V67-S70 PolarHBondContact O-OG 3.27Å; V67-L71 PolarHBondContact O-N 3.16Å; V67-I90 HydrophobicContact CB-CD1 4.28Å; V67-I90 HydrophobicContact CG1-CD1 4.04Å
68	Y	95.5	Very high	87.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-55	-56	178.1	177	-87.1	0	0	0	112.1	A64 E65 S70 L71 Y73 Y94 R136 I139 A140 Y143 E190 L254	A64-Y68 WeakPolarHBondContact O-CB 3.47Å; A64-Y68 PolarHBondContact O-N 2.89Å; E65-Y68 PolarHBondContact O-N 3.07Å; Y68-S70 PolarHBondContact O-N 3.27Å; Y68-L71 WeakPolarHBondContact O-CD2 3.17Å; Y68-L71 PolarHBondContact O-N 3.06Å; Y68-Y73 HydrophobicContact CD2-CE1 4.43Å; Y68-Y73 WeakPolarHBondContact O-CE1 3.48Å; Y68-Y94 WeakPolarHBondContact CB-OH 3.42Å; Y68-Y94 HydrophobicContact CD2-CE2 4.09Å; Y68-R136 VanDerWaalsContact CZ-NH1 3.27Å; Y68-R136 PolarHBondContact OH-NH1 3.24Å; Y68-I139 WeakPolarHBondContact OH-CB 3.46Å; Y68-I139 WeakPolarHBondContact OH-CG2 3.3Å; Y68-A140 HydrophobicContact CD2-CB 4.2Å; Y68-A140 HydrophobicContact CE2-CB 3.95Å; Y68-Y143 WeakPolarHBondContact OH-CE2 3.35Å; Y68-E190 WeakPolarHBondContact CE1-OE1 3.48Å; Y68-E190 PolarHBondContact OH-OE1 2.81Å; Y68-L254 HydrophobicContact CE1-CD2 4.02Å
69	H	94.8	Very high	85.3	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.009	24%	0.241	C	C	.	.	H	α-helix	trans	-72.5	-15.5	-176.5	-67.1	86.7	0	0	0	113.9	F28 Y30 E65 L71 R136 E190 P252 H253 L254	F28-H69 AromaticContact CE1-CD2 3.84Å; F28-H69 AromaticContact CE1-NE2 3.6Å; Y30-H69 HydrophobicContact CE2-CB 4.48Å; Y30-H69 AromaticContact CZ-ND1 3.63Å; Y30-H69 PolarHBondContact OH-CE1 3.47Å; Y30-H69 PolarHBondContact OH-ND1 2.66Å; E65-H69 PolarHBondContact O-N 2.66Å; E65-H69 PolarHBondContact O-ND1 3.05Å; E65-H69 IonicContact OE2-CE1 2.65Å; E65-H69 PolarHBondContact OE2-CE1 3.13Å; E65-H69 VanDerWaalsContact OE2-CE1 3.27Å; E65-H69 IonicContact OE2-ND1 2.99Å; H69-L71 VanDerWaalsContact C-N 3.29Å; H69-R136 PolarHBondContact CE1-NH2 2.68Å; H69-R136 PolarHBondContact NE2-NH2 3.29Å; H69-E190 IonicContact NE2-OE2 3.47Å; H69-P252 HydrophobicContact CB-CB 3.82Å; H69-H253 PolarHBondContact O-N 2.79Å; H69-L254 PolarHBondContact O-N 3.48Å; H69-L254 VanDerWaalsContact O-N 3.09Å
70	S	91.4	Very high	82.7	Confident	31 Å²	31	43 Å²	43	22%	0.217	26%	0.258	C	S	.	.	H	α-helix	trans	-74.6	-20.6	170.6	79.9	0	0	0	0	112.6	K66 V67 Y68 T72 P441	K66-S70 WeakPolarHBondContact O-CB 3.41Å; K66-S70 PolarHBondContact O-N 3.05Å; V67-S70 PolarHBondContact O-N 3.34Å; V67-S70 PolarHBondContact O-OG 3.27Å; Y68-S70 PolarHBondContact O-N 3.27Å; S70-T72 PolarHBondContact O-N 2.89Å; S70-T72 WeakPolarHBondContact OG-CG2 3.45Å; S70-T72 PolarHBondContact OG-N 2.84Å; S70-T72 PolarHBondContact OG-OG1 3.46Å; S70-P441 WeakPolarHBondContact O-CG 3.27Å
71	L	93.1	Very high	80	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	19.4	-175	-59.1	173.9	0	0	0	114.2	V67 Y68 H69 Y73 L74 Y143 L254 L439	V67-L71 PolarHBondContact O-N 3.16Å; Y68-L71 WeakPolarHBondContact O-CD2 3.17Å; Y68-L71 PolarHBondContact O-N 3.06Å; H69-L71 VanDerWaalsContact C-N 3.29Å; L71-Y73 HydrophobicContact CD2-CE1 3.99Å; L71-Y73 WeakPolarHBondContact CD2-OH 3.49Å; L71-Y73 PolarHBondContact O-N 3.29Å; L71-L74 HydrophobicContact CB-CD1 3.87Å; L71-L74 HydrophobicContact CB-CG 4.35Å; L71-L74 HydrophobicContact CD2-CD1 4.27Å; L71-L74 HydrophobicContact CG-CD1 4.47Å; L71-L74 WeakPolarHBondContact O-CG 3.28Å; L71-L74 PolarHBondContact O-N 2.95Å; L71-Y143 HydrophobicContact CD2-CD2 4.15Å; L71-Y143 HydrophobicContact CD2-CG 4.4Å; L71-L254 HydrophobicContact CD1-CB 3.9Å; L71-L254 HydrophobicContact CD1-CD1 3.85Å; L71-L254 HydrophobicContact CD1-CG 4.45Å; L71-L254 HydrophobicContact CG-CB 4.18Å; L71-L439 WeakPolarHBondContact CB-O 3.4Å; L71-L439 HydrophobicContact CD1-CD1 3.76Å; L71-L439 HydrophobicContact CD1-CG 3.94Å; L71-L439 WeakPolarHBondContact CD1-O 3.42Å
72	T	88.8	Confident	77.3	Confident	56 Å²	56	52 Å²	52	34%	0.344	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-11.9	-179.1	53.9	0	0	0	0	113.5	S70 L74 P441	S70-T72 PolarHBondContact O-N 2.89Å; S70-T72 WeakPolarHBondContact OG-CG2 3.45Å; S70-T72 PolarHBondContact OG-N 2.84Å; S70-T72 PolarHBondContact OG-OG1 3.46Å; T72-L74 VanDerWaalsContact C-N 3.31Å; T72-P441 HydrophobicContact CG2-CG 4.09Å
73	Y	87.1	Confident	74.8	Confident	13 Å²	13	61.3 Å²	61.3	5%	0.051	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-17.8	174.6	63.4	-95.1	0	0	0	113.2	Y68 L71 Q76 I90 A140	Y68-Y73 HydrophobicContact CD2-CE1 4.43Å; Y68-Y73 WeakPolarHBondContact O-CE1 3.48Å; L71-Y73 HydrophobicContact CD2-CE1 3.99Å; L71-Y73 WeakPolarHBondContact CD2-OH 3.49Å; L71-Y73 PolarHBondContact O-N 3.29Å; Y73-Q76 WeakPolarHBondContact O-CG 3.45Å; Y73-I90 HydrophobicContact CD1-CB 4.01Å; Y73-I90 HydrophobicContact CD1-CG1 4.05Å; Y73-I90 HydrophobicContact CD1-CG2 4.24Å; Y73-I90 HydrophobicContact CD2-CB 4.11Å; Y73-I90 HydrophobicContact CD2-CG2 3.51Å; Y73-I90 HydrophobicContact CE1-CG1 4.26Å; Y73-I90 HydrophobicContact CE2-CG2 3.86Å; Y73-I90 HydrophobicContact CG-CB 3.75Å; Y73-I90 HydrophobicContact CG-CG1 4.3Å; Y73-I90 HydrophobicContact CG-CG2 3.71Å; Y73-A140 HydrophobicContact CE2-CB 4.11Å; Y73-A140 WeakPolarHBondContact OH-CA 3.33Å
74	L	88.2	Confident	72.4	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	140.7	-173.8	-66.3	176.8	0	0	0	113.1	L71 T72 Q76 E144 Y147 L439 K440	L71-L74 HydrophobicContact CB-CD1 3.87Å; L71-L74 HydrophobicContact CB-CG 4.35Å; L71-L74 HydrophobicContact CD2-CD1 4.27Å; L71-L74 HydrophobicContact CG-CD1 4.47Å; L71-L74 WeakPolarHBondContact O-CG 3.28Å; L71-L74 PolarHBondContact O-N 2.95Å; T72-L74 VanDerWaalsContact C-N 3.31Å; L74-Q76 PolarHBondContact O-N 2.99Å; L74-E144 VanDerWaalsContact CA-OE2 3.29Å; L74-E144 WeakPolarHBondContact CA-OE2 3.22Å; L74-E144 HydrophobicContact CD2-CB 4.16Å; L74-E144 WeakPolarHBondContact CD2-OE2 3.18Å; L74-Y147 HydrophobicContact CB-CD1 4.42Å; L74-Y147 HydrophobicContact CB-CG 4.43Å; L74-L439 HydrophobicContact CD1-CB 3.93Å; L74-L439 HydrophobicContact CD1-CD2 3.62Å; L74-L439 HydrophobicContact CD1-CG 3.48Å; L74-L439 VanDerWaalsContact CD1-CG 3.48Å; L74-K440 HydrophobicContact CB-CB 4.22Å; L74-K440 HydrophobicContact CB-CG 4.47Å; L74-K440 WeakPolarHBondContact O-CD 3.17Å; L74-K440 VanDerWaalsContact O-CE 3.28Å; L74-K440 WeakPolarHBondContact O-CE 3.44Å; L74-K440 PolarHBondContact O-NZ 3.04Å
75	G	73.2	Confident	69.9	Low	25 Å²	25	71.3 Å²	71.3	26%	0.258	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	24.8	175.9	0	0	0	0	0	114.1	K77 E144 K440	G75-K77 PolarHBondContact O-N 3.4Å; G75-E144 PolarHBondContact N-OE1 3.39Å; G75-E144 PolarHBondContact N-OE2 3.3Å; G75-K440 PolarHBondContact O-NZ 3.32Å
76	Q	70.4	Confident	67.5	Low	66 Å²	66	83.3 Å²	83.3	31%	0.308	44%	0.436	S	S	.	.			trans	-75.3	107.4	165	-70.5	179.1	-3.7	0	0	107.9	Y73 L74 L78	Y73-Q76 WeakPolarHBondContact O-CG 3.45Å; L74-Q76 PolarHBondContact O-N 2.99Å; Q76-L78 PolarHBondContact O-N 3.06Å
77	K	54.2	Low	65.6	Low	181 Å²	181	84.3 Å²	84.3	79%	0.787	44%	0.441	S	S	*	.			trans	-68.3	127.5	173.4	-74.1	-172.5	175.7	-175.4	0	109.3	G75 G79 G80	G75-K77 PolarHBondContact O-N 3.4Å; K77-G79 PolarHBondContact O-N 3.46Å; K77-G79 VanDerWaalsContact O-N 3.14Å; K77-G80 PolarHBondContact O-N 3.03Å
78	L	44.5	Very low	64.2	Low	183 Å²	183	88 Å²	88	96%	0.958	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	119.5	162.9	-99.7	90.5	0	0	0	108.4	Q76	Q76-L78 PolarHBondContact O-N 3.06Å
79	G	48.1	Very low	63.5	Low	83 Å²	83	90.2 Å²	90.2	86%	0.856	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	0.4	177.3	0	0	0	0	0	116.6	K77 Q81	K77-G79 PolarHBondContact O-N 3.46Å; K77-G79 VanDerWaalsContact O-N 3.14Å; G79-Q81 PolarHBondContact O-N 3.34Å
80	G	42.8	Very low	63.3	Low	43 Å²	43	90.6 Å²	90.6	44%	0.443	48%	0.477	S	S	.	.			trans	-79.2	110.4	172.8	0	0	0	0	0	111.4	K77 S82	K77-G80 PolarHBondContact O-N 3.03Å; G80-S82 PolarHBondContact O-N 2.91Å
81	Q	39.4	Very low	63.3	Low	171 Å²	171	94.7 Å²	94.7	80%	0.799	49%	0.487	S	S	*	.			trans	-64.3	73.9	170.7	-69.9	-79.7	-14.9	0	0	110.6	G79 F83	G79-Q81 PolarHBondContact O-N 3.34Å; Q81-F83 PolarHBondContact O-N 3.09Å
82	S	42.1	Very low	63.2	Low	69 Å²	69	97.9 Å²	97.9	48%	0.483	51%	0.507	S	S	.	.			trans	-74.6	118.5	155.4	169.5	0	0	0	0	105.7	G80 F84 S85	G80-S82 PolarHBondContact O-N 2.91Å; S82-F84 PolarHBondContact O-N 3.45Å; S82-S85 WeakPolarHBondContact O-CB 3.43Å; S82-S85 PolarHBondContact O-N 2.67Å
83	F	43.9	Very low	63.4	Low	195 Å²	195	96.6 Å²	96.6	86%	0.855	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-0.7	-178.6	-83.4	-97.4	0	0	0	114.2	Q81	Q81-F83 PolarHBondContact O-N 3.09Å
84	F	45.1	Very low	63.8	Low	199 Å²	199	96 Å²	96	87%	0.873	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.9	9.8	174.1	-64.9	-79.4	0	0	0	114.4	S82	S82-F84 PolarHBondContact O-N 3.45Å
85	S	43.7	Very low	64.2	Low	51 Å²	51	98.8 Å²	98.8	36%	0.357	51%	0.513	S	S	.	.			trans	-113.9	60	-168	-168.6	0	0	0	0	114.2	S82	S82-S85 WeakPolarHBondContact O-CB 3.43Å; S82-S85 PolarHBondContact O-N 2.67Å
86	R	44.8	Very low	65.3	Low	255 Å²	255	100 Å²	100	96%	0.962	52%	0.518	S	S	*	.			trans	-90.5	42.9	146.8	-70.8	-170.3	-162.4	162.9	4.6	110
87	K	53.8	Low	66.5	Low	117 Å²	117	96.9 Å²	96.9	51%	0.509	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-94.3	117.2	178.1	-141.5	173.5	-175.7	-178.3	0	107	S89	K87-S89 PolarHBondContact O-N 2.93Å
88	D	62.5	Low	68.6	Low	107 Å²	107	89.7 Å²	89.7	57%	0.572	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-48.5	138	174.7	-69.5	-54.4	0	0	0	110.2	T92 I93	D88-T92 HydrophobicContact CB-CG2 4.3Å; D88-I93 HydrophobicContact CB-CD1 4.37Å; D88-I93 HydrophobicContact CB-CG1 3.82Å
89	S	82.5	Confident	71	Confident	47 Å²	47	84.8 Å²	84.8	33%	0.329	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-59.1	148.9	174	79.5	0	0	0	0	109.1	K87 R91 T92 I93	K87-S89 PolarHBondContact O-N 2.93Å; S89-R91 PolarHBondContact O-N 3.02Å; S89-R91 VanDerWaalsContact O-N 3.09Å; S89-T92 WeakPolarHBondContact O-CA 3.44Å; S89-T92 WeakPolarHBondContact O-CB 3.5Å; S89-T92 PolarHBondContact O-N 3.21Å; S89-T92 PolarHBondContact OG-N 3.07Å; S89-T92 PolarHBondContact OG-OG1 2.89Å; S89-I93 PolarHBondContact O-N 3.43Å
90	I	90.3	Very high	73.3	Confident	11 Å²	11	83.4 Å²	83.4	6%	0.056	42%	0.418	C	S	.	.	H	α-helix	trans	-55.7	-32	177.3	-167.5	57.6	0	0	0	111.6	V67 Y73 I93 Y94 A140	V67-I90 HydrophobicContact CB-CD1 4.28Å; V67-I90 HydrophobicContact CG1-CD1 4.04Å; Y73-I90 HydrophobicContact CD1-CB 4.01Å; Y73-I90 HydrophobicContact CD1-CG1 4.05Å; Y73-I90 HydrophobicContact CD1-CG2 4.24Å; Y73-I90 HydrophobicContact CD2-CB 4.11Å; Y73-I90 HydrophobicContact CD2-CG2 3.51Å; Y73-I90 HydrophobicContact CE1-CG1 4.26Å; Y73-I90 HydrophobicContact CE2-CG2 3.86Å; Y73-I90 HydrophobicContact CG-CB 3.75Å; Y73-I90 HydrophobicContact CG-CG1 4.3Å; Y73-I90 HydrophobicContact CG-CG2 3.71Å; I90-I93 HydrophobicContact CD1-CD1 4.48Å; I90-I93 PolarHBondContact O-N 3.19Å; I90-Y94 HydrophobicContact CD1-CD2 3.93Å; I90-Y94 HydrophobicContact CD1-CE2 3.55Å; I90-Y94 HydrophobicContact CG1-CD2 3.77Å; I90-Y94 HydrophobicContact CG1-CE2 3.59Å; I90-Y94 VanDerWaalsContact O-CD2 3.27Å; I90-Y94 WeakPolarHBondContact O-CD2 3.25Å; I90-Y94 PolarHBondContact O-N 2.93Å; I90-A140 HydrophobicContact CG2-CB 3.99Å
91	R	90.1	Very high	75.8	Confident	116 Å²	116	81.4 Å²	81.4	44%	0.438	40%	0.397	S	S	.	.	H	α-helix	trans	-63.1	-45.8	172.9	-173.5	-172.6	-60.7	-78.6	7.8	111.8	S89 I93 Y94 T95 M137 D141	S89-R91 PolarHBondContact O-N 3.02Å; S89-R91 VanDerWaalsContact O-N 3.09Å; R91-I93 VanDerWaalsContact C-N 3.34Å; R91-Y94 PolarHBondContact O-N 3.43Å; R91-T95 VanDerWaalsContact O-CB 3.28Å; R91-T95 WeakPolarHBondContact O-CB 3.39Å; R91-T95 PolarHBondContact O-N 3.26Å; R91-T95 PolarHBondContact O-OG1 2.81Å; R91-M137 HydrophobicContact CG-SD 4.36Å; R91-D141 IonicContact CZ-OD1 2.66Å; R91-D141 IonicContact CZ-OD2 2.66Å; R91-D141 IonicContact NH1-OD1 2.74Å; R91-D141 IonicContact NH1-OD2 2.69Å; R91-D141 PolarHBondContact NH1-OD2 3.43Å; R91-D141 IonicContact NH2-OD1 2.69Å; R91-D141 PolarHBondContact NH2-OD1 3.17Å; R91-D141 IonicContact NH2-OD2 3.81Å; R91-D141 PolarHBondContact NH2-OD2 3.46Å
92	T	91.1	Very high	78.4	Confident	68 Å²	68	79 Å²	79	42%	0.417	38%	0.384	S	S	.	.	H	α-helix	trans	-61.3	-44.8	178.3	-52.7	0	0	0	0	110.9	D88 S89 T95 S96	D88-T92 HydrophobicContact CB-CG2 4.3Å; S89-T92 WeakPolarHBondContact O-CA 3.44Å; S89-T92 WeakPolarHBondContact O-CB 3.5Å; S89-T92 PolarHBondContact O-N 3.21Å; S89-T92 PolarHBondContact OG-N 3.07Å; S89-T92 PolarHBondContact OG-OG1 2.89Å; T92-T95 PolarHBondContact O-N 3.4Å; T92-S96 PolarHBondContact O-N 3.28Å
93	I	93.4	Very high	80.7	Confident	28 Å²	28	82.7 Å²	82.7	14%	0.144	39%	0.392	C	S	.	.	H	α-helix	trans	-57.5	-54.7	177.8	-63.2	172.2	0	0	0	110.1	A64 D88 S89 I90 R91 T95 S96 L97	A64-I93 HydrophobicContact CB-CG2 3.62Å; D88-I93 HydrophobicContact CB-CD1 4.37Å; D88-I93 HydrophobicContact CB-CG1 3.82Å; S89-I93 PolarHBondContact O-N 3.43Å; I90-I93 HydrophobicContact CD1-CD1 4.48Å; I90-I93 PolarHBondContact O-N 3.19Å; R91-I93 VanDerWaalsContact C-N 3.34Å; I93-T95 VanDerWaalsContact C-N 3.33Å; I93-T95 PolarHBondContact O-N 2.91Å; I93-S96 PolarHBondContact O-N 3.41Å; I93-L97 PolarHBondContact O-N 3.03Å
94	Y	96.2	Very high	82.8	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-67	-30.9	179.5	-80	-58.5	0	0	0	113.4	A64 E65 Y68 I90 R91 L97 H98 V133 R136 M137	A64-Y94 HydrophobicContact CB-CD1 4.23Å; A64-Y94 HydrophobicContact CB-CE1 3.81Å; E65-Y94 PolarHBondContact OE1-OH 3.49Å; Y68-Y94 WeakPolarHBondContact CB-OH 3.42Å; Y68-Y94 HydrophobicContact CD2-CE2 4.09Å; I90-Y94 HydrophobicContact CD1-CD2 3.93Å; I90-Y94 HydrophobicContact CD1-CE2 3.55Å; I90-Y94 HydrophobicContact CG1-CD2 3.77Å; I90-Y94 HydrophobicContact CG1-CE2 3.59Å; I90-Y94 VanDerWaalsContact O-CD2 3.27Å; I90-Y94 WeakPolarHBondContact O-CD2 3.25Å; I90-Y94 PolarHBondContact O-N 2.93Å; R91-Y94 PolarHBondContact O-N 3.43Å; Y94-L97 HydrophobicContact CD1-CD2 4.2Å; Y94-L97 PolarHBondContact O-N 3.26Å; Y94-H98 VanDerWaalsContact O-CB 3.31Å; Y94-H98 WeakPolarHBondContact O-CB 3.24Å; Y94-H98 PolarHBondContact O-N 2.95Å; Y94-V133 HydrophobicContact CD1-CB 4.36Å; Y94-V133 HydrophobicContact CD1-CG1 3.71Å; Y94-V133 HydrophobicContact CD1-CG2 4.21Å; Y94-V133 HydrophobicContact CG-CG1 4.12Å; Y94-V133 WeakPolarHBondContact O-CG1 3.28Å; Y94-R136 HydrophobicContact CE1-CB 4.02Å; Y94-R136 HydrophobicContact CE1-CG 4.36Å; Y94-R136 HydrophobicContact CE2-CB 4.06Å; Y94-M137 VanDerWaalsContact CB-CG 3.41Å; Y94-M137 HydrophobicContact CD2-CG 4.11Å; Y94-M137 HydrophobicContact CG-CG 4.02Å
95	T	95.9	Very high	84.7	Confident	59 Å²	59	65.9 Å²	65.9	36%	0.362	32%	0.321	S	S	.	.	H	α-helix	trans	-66.8	-42.2	174.9	-58.3	0	0	0	0	111.2	R91 T92 I93 H98 N99	R91-T95 VanDerWaalsContact O-CB 3.28Å; R91-T95 WeakPolarHBondContact O-CB 3.39Å; R91-T95 PolarHBondContact O-N 3.26Å; R91-T95 PolarHBondContact O-OG1 2.81Å; T92-T95 PolarHBondContact O-N 3.4Å; I93-T95 VanDerWaalsContact C-N 3.33Å; I93-T95 PolarHBondContact O-N 2.91Å; T95-H98 PolarHBondContact O-N 3.32Å; T95-N99 VanDerWaalsContact O-CG 3.3Å; T95-N99 PolarHBondContact O-N 2.99Å; T95-N99 VanDerWaalsContact O-N 3.12Å; T95-N99 PolarHBondContact O-ND2 3.11Å
96	S	95.9	Very high	86.5	Confident	52 Å²	52	68.4 Å²	68.4	36%	0.364	33%	0.334	S	S	.	.	H	α-helix	trans	-60.9	-49.6	173.7	-171.9	0	0	0	0	110.8	T92 I93 H98 N99 E100	T92-S96 PolarHBondContact O-N 3.28Å; I93-S96 PolarHBondContact O-N 3.41Å; S96-H98 VanDerWaalsContact C-N 3.34Å; S96-H98 PolarHBondContact O-N 2.96Å; S96-N99 WeakPolarHBondContact O-CB 3.37Å; S96-N99 PolarHBondContact O-N 3.04Å; S96-E100 WeakPolarHBondContact O-CG 3.38Å; S96-E100 PolarHBondContact O-N 2.82Å; S96-E100 PolarHBondContact OG-OE1 3.01Å
97	L	96.9	Very high	87.6	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-58.5	-43.8	178.2	176.1	59.1	0	0	0	112.4	A57 H60 L61 I93 Y94 N99 E100 L101 V133	A57-L97 HydrophobicContact CB-CD1 4.05Å; A57-L97 WeakPolarHBondContact O-CD1 3.12Å; H60-L97 HydrophobicContact CB-CD1 4.18Å; L61-L97 HydrophobicContact CB-CD1 4.36Å; L61-L97 HydrophobicContact CB-CD2 3.82Å; L61-L97 HydrophobicContact CD1-CD2 3.73Å; L61-L97 HydrophobicContact CG-CD2 4.37Å; I93-L97 PolarHBondContact O-N 3.03Å; Y94-L97 HydrophobicContact CD1-CD2 4.2Å; Y94-L97 PolarHBondContact O-N 3.26Å; L97-N99 VanDerWaalsContact C-N 3.28Å; L97-N99 PolarHBondContact O-N 3.39Å; L97-E100 WeakPolarHBondContact O-CB 3.29Å; L97-E100 PolarHBondContact O-N 3.06Å; L97-L101 HydrophobicContact CD1-CD1 4.12Å; L97-L101 HydrophobicContact CD1-CG 4.15Å; L97-L101 HydrophobicContact CG-CD1 4.03Å; L97-L101 WeakPolarHBondContact O-CG 3.5Å; L97-L101 PolarHBondContact O-N 3.39Å; L97-V133 HydrophobicContact CD2-CG2 3.69Å; L97-V133 HydrophobicContact CG-CG2 4.05Å
98	H	97.3	Very high	87.9	Confident	29 Å²	29	60.8 Å²	60.8	13%	0.134	31%	0.313	C	S	.	.	H	α-helix	trans	-58.5	-41.9	175.7	179.2	-77.6	0	0	0	111.6	Y94 T95 S96 L101 K102 V133 Q134	Y94-H98 VanDerWaalsContact O-CB 3.31Å; Y94-H98 WeakPolarHBondContact O-CB 3.24Å; Y94-H98 PolarHBondContact O-N 2.95Å; T95-H98 PolarHBondContact O-N 3.32Å; S96-H98 VanDerWaalsContact C-N 3.34Å; S96-H98 PolarHBondContact O-N 2.96Å; H98-L101 PolarHBondContact O-N 3.45Å; H98-K102 WeakPolarHBondContact O-CB 3.4Å; H98-K102 PolarHBondContact O-N 3.34Å; H98-V133 HydrophobicContact CB-CG1 3.96Å; H98-Q134 PolarHBondContact NE2-NE2 2.99Å
99	N	96.3	Very high	87.4	Confident	80 Å²	80	59 Å²	59	43%	0.428	32%	0.32	S	S	.	.	H	α-helix	trans	-69	-35.7	177.9	-68.3	-30	0	0	0	112.5	T95 S96 L97 K103	T95-N99 VanDerWaalsContact O-CG 3.3Å; T95-N99 PolarHBondContact O-N 2.99Å; T95-N99 VanDerWaalsContact O-N 3.12Å; T95-N99 PolarHBondContact O-ND2 3.11Å; S96-N99 WeakPolarHBondContact O-CB 3.37Å; S96-N99 PolarHBondContact O-N 3.04Å; L97-N99 VanDerWaalsContact C-N 3.28Å; L97-N99 PolarHBondContact O-N 3.39Å; N99-K103 WeakPolarHBondContact O-CG 3.46Å; N99-K103 PolarHBondContact O-N 3.48Å
100	E	95.1	Very high	85.9	Confident	55 Å²	55	60.9 Å²	60.9	26%	0.257	34%	0.338	S	S	.	.	H	α-helix	trans	-62.9	-49.1	173.1	-70	158.3	-141.7	0	0	111.2	A57 H60 S96 L97 K102 K103 V104	A57-E100 HydrophobicContact CB-CB 4.32Å; H60-E100 IonicContact CE1-OE1 3.49Å; H60-E100 PolarHBondContact CE1-OE1 3.2Å; H60-E100 IonicContact CE1-OE2 3.24Å; H60-E100 IonicContact CG-OE2 2.76Å; H60-E100 IonicContact ND1-OE1 2.61Å; H60-E100 PolarHBondContact ND1-OE1 3.06Å; H60-E100 VanDerWaalsContact ND1-OE1 3.07Å; H60-E100 IonicContact ND1-OE2 2.88Å; H60-E100 PolarHBondContact ND1-OE2 3.36Å; S96-E100 WeakPolarHBondContact O-CG 3.38Å; S96-E100 PolarHBondContact O-N 2.82Å; S96-E100 PolarHBondContact OG-OE1 3.01Å; L97-E100 WeakPolarHBondContact O-CB 3.29Å; L97-E100 PolarHBondContact O-N 3.06Å; E100-K102 VanDerWaalsContact C-N 3.34Å; E100-K102 PolarHBondContact O-N 3.39Å; E100-K103 WeakPolarHBondContact O-CB 3.14Å; E100-K103 PolarHBondContact O-N 3.04Å; E100-V104 PolarHBondContact O-N 3.2Å
101	L	95.5	Very high	83.9	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.005	38%	0.382	C	S	.	.	H	α-helix	trans	-61.3	-41.6	176.8	-69.1	166.5	0	0	0	111.9	L54 A57 L97 H98 K103 V104 V105 L129 C130 V133	L54-L101 HydrophobicContact CD1-CD2 4.14Å; A57-L101 HydrophobicContact CB-CD2 3.83Å; A57-L101 HydrophobicContact CB-CG 4.25Å; L97-L101 HydrophobicContact CD1-CD1 4.12Å; L97-L101 HydrophobicContact CD1-CG 4.15Å; L97-L101 HydrophobicContact CG-CD1 4.03Å; L97-L101 WeakPolarHBondContact O-CG 3.5Å; L97-L101 PolarHBondContact O-N 3.39Å; H98-L101 PolarHBondContact O-N 3.45Å; L101-K103 VanDerWaalsContact C-N 3.27Å; L101-K103 PolarHBondContact O-N 3.19Å; L101-V104 WeakPolarHBondContact O-CB 3.34Å; L101-V104 PolarHBondContact O-N 3.24Å; L101-V104 VanDerWaalsContact O-N 3.09Å; L101-V105 PolarHBondContact O-N 2.94Å; L101-V105 VanDerWaalsContact O-N 3.15Å; L101-L129 HydrophobicContact CD1-CB 3.69Å; L101-L129 HydrophobicContact CD2-CB 4.04Å; L101-L129 HydrophobicContact CD2-CD1 3.9Å; L101-L129 HydrophobicContact CG-CB 4.48Å; L101-C130 VanDerWaalsContact CB-SG 3.57Å; L101-V133 HydrophobicContact CD1-CG2 4.03Å
102	K	93.8	Very high	82.1	Confident	119 Å²	119	66 Å²	66	52%	0.517	38%	0.383	S	S	.	.	H	α-helix	trans	-61.5	-34.8	177.8	-168.3	175.8	-177.3	-179.8	0	112.4	H98 E100 V104 V105 T106	H98-K102 WeakPolarHBondContact O-CB 3.4Å; H98-K102 PolarHBondContact O-N 3.34Å; E100-K102 VanDerWaalsContact C-N 3.34Å; E100-K102 PolarHBondContact O-N 3.39Å; K102-V104 VanDerWaalsContact C-N 3.32Å; K102-V104 PolarHBondContact O-N 3.21Å; K102-V105 PolarHBondContact O-N 2.79Å; K102-T106 PolarHBondContact O-N 3.5Å; K102-T106 PolarHBondContact O-OG1 3.16Å
103	K	91.2	Very high	80.4	Confident	148 Å²	148	67 Å²	67	64%	0.643	41%	0.407	S	S	*	.	H	α-helix	trans	-63.2	-39	174.9	-71.8	170.9	-176.2	179.1	0	111.8	N99 E100 L101 V105 T106 G107	N99-K103 WeakPolarHBondContact O-CG 3.46Å; N99-K103 PolarHBondContact O-N 3.48Å; E100-K103 WeakPolarHBondContact O-CB 3.14Å; E100-K103 PolarHBondContact O-N 3.04Å; L101-K103 VanDerWaalsContact C-N 3.27Å; L101-K103 PolarHBondContact O-N 3.19Å; K103-V105 VanDerWaalsContact C-N 3.35Å; K103-T106 WeakPolarHBondContact CA-OG1 3.49Å; K103-T106 PolarHBondContact O-N 2.94Å; K103-T106 PolarHBondContact O-OG1 3.35Å; K103-G107 PolarHBondContact O-N 3.46Å
104	V	87.6	Confident	78.9	Confident	9 Å²	9	67.2 Å²	67.2	6%	0.055	41%	0.41	C	S	.	.	H	α-helix	trans	-62.9	-42.5	175.2	-175.2	0	0	0	0	110.6	L54 E100 L101 K102 T106 G107 S126	L54-V104 HydrophobicContact CB-CG1 4.48Å; E100-V104 PolarHBondContact O-N 3.2Å; L101-V104 WeakPolarHBondContact O-CB 3.34Å; L101-V104 PolarHBondContact O-N 3.24Å; L101-V104 VanDerWaalsContact O-N 3.09Å; K102-V104 VanDerWaalsContact C-N 3.32Å; K102-V104 PolarHBondContact O-N 3.21Å; V104-T106 PolarHBondContact O-N 2.89Å; V104-G107 PolarHBondContact O-N 2.93Å; V104-S126 VanDerWaalsContact CG1-OG 3.31Å; V104-S126 WeakPolarHBondContact CG1-OG 3.27Å
105	V	85.4	Confident	77.6	Confident	32 Å²	32	69.2 Å²	69.2	19%	0.194	43%	0.427	C	S	.	.	H	α-helix	trans	-61.7	-42.5	176.3	179.6	0	0	0	0	112.1	L101 K102 K103 G107 E127	L101-V105 PolarHBondContact O-N 2.94Å; L101-V105 VanDerWaalsContact O-N 3.15Å; K102-V105 PolarHBondContact O-N 2.79Å; K103-V105 VanDerWaalsContact C-N 3.35Å; V105-G107 VanDerWaalsContact C-N 3.31Å; V105-G107 PolarHBondContact O-N 2.99Å; V105-E127 HydrophobicContact CG2-CB 4.2Å
106	T	80.8	Confident	76.6	Confident	103 Å²	103	71.7 Å²	71.7	63%	0.632	44%	0.444	S	S	*	.	H	α-helix	trans	-78.7	-12	-178.7	54	0	0	0	0	114.1	K102 K103 V104 R108	K102-T106 PolarHBondContact O-N 3.5Å; K102-T106 PolarHBondContact O-OG1 3.16Å; K103-T106 WeakPolarHBondContact CA-OG1 3.49Å; K103-T106 PolarHBondContact O-N 2.94Å; K103-T106 PolarHBondContact O-OG1 3.35Å; V104-T106 PolarHBondContact O-N 2.89Å; T106-R108 PolarHBondContact O-N 2.89Å
107	G	68.5	Low	75.8	Confident	34 Å²	34	74.7 Å²	74.7	35%	0.351	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	8.9	-176.4	0	0	0	0	0	115.8	K103 V104 V105 G109 A110	K103-G107 PolarHBondContact O-N 3.46Å; V104-G107 PolarHBondContact O-N 2.93Å; V105-G107 VanDerWaalsContact C-N 3.31Å; V105-G107 PolarHBondContact O-N 2.99Å; G107-G109 PolarHBondContact O-N 3.22Å; G107-A110 PolarHBondContact O-N 3.06Å
108	R	60	Low	75.1	Confident	179 Å²	179	75 Å²	75	68%	0.675	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	14.1	-173.9	-80.8	-174.6	179.7	-151	-0.5	117.4	T106 S123	T106-R108 PolarHBondContact O-N 2.89Å; R108-S123 PolarHBondContact NE-OG 3.31Å; R108-S123 PolarHBondContact NH2-OG 3.11Å
109	G	51.2	Low	74.4	Confident	69 Å²	69	75.7 Å²	75.7	71%	0.711	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-152.6	9.4	-177.4	0	0	0	0	0	116	G107 L111	G107-G109 PolarHBondContact O-N 3.22Å; G109-L111 PolarHBondContact O-N 3.43Å
110	A	51.9	Low	73.9	Confident	86 Å²	86	78.5 Å²	78.5	71%	0.711	47%	0.468	S	S	*	.			trans	-74.4	110.4	172.7	0	0	0	0	0	109.1	G107 G112	G107-A110 PolarHBondContact O-N 3.06Å; A110-G112 PolarHBondContact O-N 3.42Å
111	L	47.2	Very low	73.7	Confident	189 Å²	189	77.5 Å²	77.5	99%	0.99	46%	0.464	S	S	*	.			trans	-52.9	97.8	173.2	-75.1	150.1	0	0	0	109.9	G109	G109-L111 PolarHBondContact O-N 3.43Å
112	G	52.7	Low	73.4	Confident	45 Å²	45	77.5 Å²	77.5	46%	0.464	46%	0.464	S	S	.	.			trans	-177.6	95.4	-178.6	0	0	0	0	0	116.4	A110 T114	A110-G112 PolarHBondContact O-N 3.42Å; G112-T114 PolarHBondContact O-N 3Å; G112-T114 PolarHBondContact O-OG1 3.19Å
113	G	56.8	Low	73.3	Confident	89 Å²	89	72 Å²	72	92%	0.918	44%	0.44	S	S	*	.	S	Bend	trans	80.3	-28.7	140.1	0	0	0	0	0	120.6
114	T	61	Low	73.4	Confident	34 Å²	34	68.3 Å²	68.3	21%	0.209	43%	0.425	C	S	.	.	S	Bend	trans	-97.2	144.8	-175.1	30.2	0	0	0	0	112.6	G112 E119	G112-T114 PolarHBondContact O-N 3Å; G112-T114 PolarHBondContact O-OG1 3.19Å; T114-E119 VanDerWaalsContact CB-OE1 3.24Å; T114-E119 WeakPolarHBondContact CB-OE1 3.47Å; T114-E119 PolarHBondContact OG1-OE1 3.14Å
115	A	69.6	Low	73.7	Confident	41 Å²	41	67.9 Å²	67.9	34%	0.339	42%	0.423	S	S	.	.			trans	-66.2	143.2	-179.8	0	0	0	0	0	111.1	H117 V118 E119	A115-H117 VanDerWaalsContact C-N 3.27Å; A115-H117 WeakPolarHBondContact CB-CE1 3.46Å; A115-H117 PolarHBondContact O-N 3.16Å; A115-H117 VanDerWaalsContact O-N 3.11Å; A115-V118 HydrophobicContact CB-CG2 4.29Å; A115-V118 WeakPolarHBondContact O-CB 2.78Å; A115-V118 PolarHBondContact O-N 3.38Å; A115-E119 PolarHBondContact O-N 3.02Å
116	P	75	Confident	74.2	Confident	112 Å²	112	66.4 Å²	66.4	73%	0.727	41%	0.413	S	S	*	.	H	α-helix	trans	-54.9	-36.2	-172.5	-27.9	33.7	0	0	0	115.2	V118 E119 E120	P116-V118 VanDerWaalsContact C-N 3.34Å; P116-E119 PolarHBondContact O-N 2.81Å; P116-E120 PolarHBondContact O-N 3.42Å
117	H	78.6	Confident	74.9	Confident	114 Å²	114	65.4 Å²	65.4	53%	0.528	40%	0.402	S	S	.	.	H	α-helix	trans	-69.1	-31.6	178.6	66.4	-87.2	0	0	0	112.8	A115 L121	A115-H117 VanDerWaalsContact C-N 3.27Å; A115-H117 WeakPolarHBondContact CB-CE1 3.46Å; A115-H117 PolarHBondContact O-N 3.16Å; A115-H117 VanDerWaalsContact O-N 3.11Å; H117-L121 PolarHBondContact O-N 3.09Å
118	V	80.9	Confident	76.3	Confident	6 Å²	6	64.1 Å²	64.1	4%	0.036	39%	0.387	C	S	.	.	H	α-helix	trans	-70.3	-45.8	175.8	-178.9	0	0	0	0	109	E14 A115 P116 E120 L121 L122	E14-V118 HydrophobicContact CB-CG1 4.42Å; E14-V118 HydrophobicContact CG-CG1 4.22Å; A115-V118 HydrophobicContact CB-CG2 4.29Å; A115-V118 WeakPolarHBondContact O-CB 2.78Å; A115-V118 PolarHBondContact O-N 3.38Å; P116-V118 VanDerWaalsContact C-N 3.34Å; V118-E120 VanDerWaalsContact C-N 3.3Å; V118-E120 PolarHBondContact O-N 3.45Å; V118-L121 WeakPolarHBondContact O-CB 3.4Å; V118-L121 PolarHBondContact O-N 3.26Å; V118-L121 VanDerWaalsContact O-N 3.12Å; V118-L122 HydrophobicContact CG1-CD1 4.02Å; V118-L122 HydrophobicContact CG1-CD2 4.47Å; V118-L122 HydrophobicContact CG1-CG 4.03Å; V118-L122 VanDerWaalsContact O-CG 3.25Å; V118-L122 WeakPolarHBondContact O-CG 3.32Å; V118-L122 PolarHBondContact O-N 2.9Å
119	E	83.7	Confident	78.1	Confident	45 Å²	45	55.7 Å²	55.7	21%	0.21	36%	0.355	C	S	.	.	H	α-helix	trans	-56.5	-42.3	176.6	-74.7	-57	129.8	0	0	113.3	S50 T114 A115 P116 L122 S123	S50-E119 WeakPolarHBondContact CB-OE1 3.32Å; S50-E119 WeakPolarHBondContact CB-OE2 3.5Å; S50-E119 VanDerWaalsContact OG-CD 3.3Å; S50-E119 PolarHBondContact OG-OE1 3.12Å; S50-E119 PolarHBondContact OG-OE2 3.38Å; T114-E119 VanDerWaalsContact CB-OE1 3.24Å; T114-E119 WeakPolarHBondContact CB-OE1 3.47Å; T114-E119 PolarHBondContact OG1-OE1 3.14Å; A115-E119 PolarHBondContact O-N 3.02Å; P116-E119 PolarHBondContact O-N 2.81Å; E119-L122 PolarHBondContact O-N 3.24Å; E119-S123 WeakPolarHBondContact O-CB 3.37Å; E119-S123 PolarHBondContact O-N 3.09Å
120	E	86.4	Confident	80.3	Confident	139 Å²	139	53 Å²	53	65%	0.65	33%	0.325	S	S	*	.	H	α-helix	trans	-62.5	-45.8	175.9	-172.8	174.3	-173.5	0	0	111.6	P116 V118 S123 H124	P116-E120 PolarHBondContact O-N 3.42Å; V118-E120 VanDerWaalsContact C-N 3.3Å; V118-E120 PolarHBondContact O-N 3.45Å; E120-S123 PolarHBondContact O-N 3.44Å; E120-H124 VanDerWaalsContact O-CB 3.28Å; E120-H124 WeakPolarHBondContact O-CB 3.02Å; E120-H124 PolarHBondContact O-N 3.33Å
121	L	89.3	Confident	82.4	Confident	34 Å²	34	50.7 Å²	50.7	18%	0.178	30%	0.299	C	S	.	.	H	α-helix	trans	-59.4	-49.4	175.4	177.5	64.7	0	0	0	111.7	H117 V118 S123 H124 L125 I179	H117-L121 PolarHBondContact O-N 3.09Å; V118-L121 WeakPolarHBondContact O-CB 3.4Å; V118-L121 PolarHBondContact O-N 3.26Å; V118-L121 VanDerWaalsContact O-N 3.12Å; L121-S123 PolarHBondContact O-N 3.42Å; L121-H124 PolarHBondContact O-N 2.85Å; L121-L125 HydrophobicContact CD1-CD1 3.95Å; L121-L125 HydrophobicContact CD1-CG 4.04Å; L121-L125 HydrophobicContact CG-CD1 3.99Å; L121-L125 HydrophobicContact CG-CG 4.42Å; L121-L125 WeakPolarHBondContact O-CB 3.31Å; L121-L125 VanDerWaalsContact O-CG 3.3Å; L121-L125 WeakPolarHBondContact O-CG 3.39Å; L121-L125 PolarHBondContact O-N 3.17Å; L121-I179 HydrophobicContact CD1-CD1 4.3Å; L121-I179 HydrophobicContact CD2-CD1 4.43Å
122	L	90.6	Very high	84.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-43.5	-179.3	-61.8	-178.4	0	0	0	111.4	L18 W51 L54 V118 E119 S126	L18-L122 HydrophobicContact CD1-CD2 4.32Å; W51-L122 HydrophobicContact CB-CD1 4.22Å; W51-L122 HydrophobicContact CE3-CD1 4.09Å; W51-L122 HydrophobicContact CE3-CD2 3.54Å; W51-L122 HydrophobicContact CE3-CG 4.47Å; W51-L122 HydrophobicContact CZ3-CD2 3.69Å; L54-L122 HydrophobicContact CD2-CB 4.45Å; L54-L122 HydrophobicContact CD2-CD2 3.45Å; L54-L122 VanDerWaalsContact CD2-CD2 3.45Å; L54-L122 HydrophobicContact CD2-CG 4.46Å; V118-L122 HydrophobicContact CG1-CD1 4.02Å; V118-L122 HydrophobicContact CG1-CD2 4.47Å; V118-L122 HydrophobicContact CG1-CG 4.03Å; V118-L122 VanDerWaalsContact O-CG 3.25Å; V118-L122 WeakPolarHBondContact O-CG 3.32Å; V118-L122 PolarHBondContact O-N 2.9Å; E119-L122 PolarHBondContact O-N 3.24Å; L122-S126 VanDerWaalsContact O-CB 3.28Å; L122-S126 WeakPolarHBondContact O-CB 3.46Å; L122-S126 PolarHBondContact O-N 3.33Å; L122-S126 PolarHBondContact O-OG 2.87Å
123	S	90.6	Very high	86.9	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-45	175.7	175.4	0	0	0	0	111.3	R108 E119 E120 L121 S126 E127	R108-S123 PolarHBondContact NE-OG 3.31Å; R108-S123 PolarHBondContact NH2-OG 3.11Å; E119-S123 WeakPolarHBondContact O-CB 3.37Å; E119-S123 PolarHBondContact O-N 3.09Å; E120-S123 PolarHBondContact O-N 3.44Å; L121-S123 PolarHBondContact O-N 3.42Å; S123-S126 PolarHBondContact O-N 2.98Å; S123-E127 PolarHBondContact O-N 3.2Å; S123-E127 VanDerWaalsContact O-N 3.08Å
124	H	92.7	Very high	88.8	Confident	71 Å²	71	38.1 Å²	38.1	33%	0.329	20%	0.199	S	C	.	.	H	α-helix	trans	-66.5	-44.2	-178.4	-175.1	59.3	0	0	0	112.2	E120 L121 E127 Q128 H177	E120-H124 VanDerWaalsContact O-CB 3.28Å; E120-H124 WeakPolarHBondContact O-CB 3.02Å; E120-H124 PolarHBondContact O-N 3.33Å; L121-H124 PolarHBondContact O-N 2.85Å; H124-E127 PolarHBondContact O-N 3.44Å; H124-Q128 PolarHBondContact CE1-NE2 2.88Å; H124-Q128 VanDerWaalsContact CE1-NE2 3.28Å; H124-Q128 PolarHBondContact NE2-NE2 2.55Å; H124-Q128 PolarHBondContact O-N 2.89Å; H124-H177 AromaticContact CD2-CD2 3.63Å; H124-H177 AromaticContact NE2-CD2 3.98Å
125	L	95	Very high	90.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-43.5	174.9	-69.5	176.9	0	0	0	111.6	L18 L121 E127 Q128 L129 H177 I179 L180	L18-L125 HydrophobicContact CD1-CD1 3.63Å; L121-L125 HydrophobicContact CD1-CD1 3.95Å; L121-L125 HydrophobicContact CD1-CG 4.04Å; L121-L125 HydrophobicContact CG-CD1 3.99Å; L121-L125 HydrophobicContact CG-CG 4.42Å; L121-L125 WeakPolarHBondContact O-CB 3.31Å; L121-L125 VanDerWaalsContact O-CG 3.3Å; L121-L125 WeakPolarHBondContact O-CG 3.39Å; L121-L125 PolarHBondContact O-N 3.17Å; L125-E127 VanDerWaalsContact C-N 3.3Å; L125-E127 PolarHBondContact O-N 3.44Å; L125-Q128 PolarHBondContact O-N 3.17Å; L125-L129 WeakPolarHBondContact O-CB 3.33Å; L125-L129 VanDerWaalsContact O-CG 3.25Å; L125-L129 WeakPolarHBondContact O-CG 3.49Å; L125-L129 PolarHBondContact O-N 3.17Å; L125-H177 HydrophobicContact CD2-CB 3.88Å; L125-H177 WeakPolarHBondContact CD2-ND1 3.44Å; L125-I179 HydrophobicContact CD1-CD1 4.36Å; L125-I179 HydrophobicContact CD2-CB 4.43Å; L125-L180 HydrophobicContact CD2-CD1 4.18Å; L125-L180 HydrophobicContact CD2-CD2 4.2Å; L125-L180 HydrophobicContact CD2-CG 3.92Å
126	S	95.7	Very high	91.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-38.1	179.9	-59.6	0	0	0	0	112.2	V104 L122 S123 L129 C130	V104-S126 VanDerWaalsContact CG1-OG 3.31Å; V104-S126 WeakPolarHBondContact CG1-OG 3.27Å; L122-S126 VanDerWaalsContact O-CB 3.28Å; L122-S126 WeakPolarHBondContact O-CB 3.46Å; L122-S126 PolarHBondContact O-N 3.33Å; L122-S126 PolarHBondContact O-OG 2.87Å; S123-S126 PolarHBondContact O-N 2.98Å; S126-L129 PolarHBondContact O-N 2.59Å; S126-C130 PolarHBondContact O-N 3.02Å; S126-C130 PolarHBondContact O-SG 2.97Å
127	E	95.8	Very high	92.8	Very high	83 Å²	83	30.6 Å²	30.6	39%	0.388	15%	0.145	S	C	.	.	H	α-helix	trans	-63.4	-47	175.2	-177.2	177.7	-165.3	0	0	111.5	V105 S123 H124 L125 L129 C130 F131	V105-E127 HydrophobicContact CG2-CB 4.2Å; S123-E127 PolarHBondContact O-N 3.2Å; S123-E127 VanDerWaalsContact O-N 3.08Å; H124-E127 PolarHBondContact O-N 3.44Å; L125-E127 VanDerWaalsContact C-N 3.3Å; L125-E127 PolarHBondContact O-N 3.44Å; E127-L129 VanDerWaalsContact C-N 3.33Å; E127-L129 PolarHBondContact O-N 3.31Å; E127-C130 VanDerWaalsContact O-CB 3.3Å; E127-C130 WeakPolarHBondContact O-CB 3.44Å; E127-C130 PolarHBondContact O-N 3.25Å; E127-C130 VanDerWaalsContact O-N 3.12Å; E127-F131 HydrophobicContact CG-CE2 4Å; E127-F131 WeakPolarHBondContact O-CD2 3.39Å; E127-F131 PolarHBondContact O-N 2.7Å
128	Q	96.9	Very high	93.7	Very high	7 Å²	7	27.7 Å²	27.7	3%	0.033	13%	0.132	C	C	.	.	H	α-helix	trans	-63.3	-39.3	176.8	-68.1	-166.2	25.8	0	0	112.3	H124 L125 C130 F131 F132 F175 L180	H124-Q128 PolarHBondContact CE1-NE2 2.88Å; H124-Q128 VanDerWaalsContact CE1-NE2 3.28Å; H124-Q128 PolarHBondContact NE2-NE2 2.55Å; H124-Q128 PolarHBondContact O-N 2.89Å; L125-Q128 PolarHBondContact O-N 3.17Å; Q128-C130 VanDerWaalsContact C-N 3.27Å; Q128-C130 PolarHBondContact O-N 2.88Å; Q128-F131 PolarHBondContact O-N 3.22Å; Q128-F131 VanDerWaalsContact O-N 3.13Å; Q128-F132 PolarHBondContact O-N 3Å; Q128-F175 HydrophobicContact CB-CB 4.03Å; Q128-L180 HydrophobicContact CB-CD1 3.63Å
129	L	97.6	Very high	94.4	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-63.9	-31.3	174.5	-70	172.1	0	0	0	112.3	F22 L54 L58 L61 L101 L125 S126 E127 F131 F132 V133 L180 L183	F22-L129 HydrophobicContact CE1-CD2 3.99Å; F22-L129 HydrophobicContact CZ-CD1 4.22Å; F22-L129 HydrophobicContact CZ-CD2 4.1Å; L54-L129 HydrophobicContact CD1-CD1 4.42Å; L58-L129 HydrophobicContact CD2-CD1 3.85Å; L61-L129 HydrophobicContact CD2-CD2 4.04Å; L101-L129 HydrophobicContact CD1-CB 3.69Å; L101-L129 HydrophobicContact CD2-CB 4.04Å; L101-L129 HydrophobicContact CD2-CD1 3.9Å; L101-L129 HydrophobicContact CG-CB 4.48Å; L125-L129 WeakPolarHBondContact O-CB 3.33Å; L125-L129 VanDerWaalsContact O-CG 3.25Å; L125-L129 WeakPolarHBondContact O-CG 3.49Å; L125-L129 PolarHBondContact O-N 3.17Å; S126-L129 PolarHBondContact O-N 2.59Å; E127-L129 VanDerWaalsContact C-N 3.33Å; E127-L129 PolarHBondContact O-N 3.31Å; L129-F131 VanDerWaalsContact C-N 3.34Å; L129-F131 PolarHBondContact O-N 3.26Å; L129-F132 PolarHBondContact O-N 3.07Å; L129-V133 WeakPolarHBondContact O-CB 3.38Å; L129-V133 VanDerWaalsContact O-CG2 3.27Å; L129-V133 WeakPolarHBondContact O-CG2 3.37Å; L129-V133 PolarHBondContact O-N 3.48Å; L129-L180 HydrophobicContact CD2-CD2 3.98Å; L129-L180 HydrophobicContact CG-CD2 4.43Å; L129-L183 HydrophobicContact CD2-CD2 3.85Å
130	C	97.5	Very high	95	Very high	12 Å²	12	25.3 Å²	25.3	8%	0.081	12%	0.121	C	C	.	.	H	α-helix	trans	-60.6	-44.4	171.9	-66.3	0	0	0	0	111.1	L101 S126 E127 Q128 V133 Q134	L101-C130 VanDerWaalsContact CB-SG 3.57Å; S126-C130 PolarHBondContact O-N 3.02Å; S126-C130 PolarHBondContact O-SG 2.97Å; E127-C130 VanDerWaalsContact O-CB 3.3Å; E127-C130 WeakPolarHBondContact O-CB 3.44Å; E127-C130 PolarHBondContact O-N 3.25Å; E127-C130 VanDerWaalsContact O-N 3.12Å; Q128-C130 VanDerWaalsContact C-N 3.27Å; Q128-C130 PolarHBondContact O-N 2.88Å; C130-V133 PolarHBondContact O-N 3.38Å; C130-Q134 VanDerWaalsContact O-CG 3.29Å; C130-Q134 WeakPolarHBondContact O-CG 3.48Å; C130-Q134 PolarHBondContact O-N 3.19Å
131	F	97.3	Very high	95.4	Very high	38 Å²	38	21.5 Å²	21.5	17%	0.167	11%	0.105	C	C	.	.	H	α-helix	trans	-65.3	-41	175.9	-64.5	-54.9	0	0	0	112.4	E127 Q128 L129 V133 Q134 A135 Y171 R174 F175	E127-F131 HydrophobicContact CG-CE2 4Å; E127-F131 WeakPolarHBondContact O-CD2 3.39Å; E127-F131 PolarHBondContact O-N 2.7Å; Q128-F131 PolarHBondContact O-N 3.22Å; Q128-F131 VanDerWaalsContact O-N 3.13Å; L129-F131 VanDerWaalsContact C-N 3.34Å; L129-F131 PolarHBondContact O-N 3.26Å; F131-V133 PolarHBondContact O-N 3.17Å; F131-Q134 PolarHBondContact O-N 3.28Å; F131-A135 WeakPolarHBondContact O-CB 3.23Å; F131-A135 PolarHBondContact O-N 3.45Å; F131-Y171 HydrophobicContact CB-CD1 4.48Å; F131-R174 HydrophobicContact CB-CB 3.74Å; F131-R174 HydrophobicContact CD2-CB 4Å; F131-R174 WeakPolarHBondContact CD2-O 3.27Å; F131-R174 HydrophobicContact CG-CB 3.84Å; F131-F175 HydrophobicContact CB-CD1 4.36Å
132	F	97.3	Very high	95.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.2	-47	175.2	173.9	-95.8	0	0	0	111.9	L61 E65 Q128 L129 Q134 A135 R136 F175 L183 F187	L61-F132 HydrophobicContact CD1-CD1 4.34Å; L61-F132 HydrophobicContact CD1-CE1 4.01Å; E65-F132 WeakPolarHBondContact OE1-CE1 3.45Å; Q128-F132 PolarHBondContact O-N 3Å; L129-F132 PolarHBondContact O-N 3.07Å; F132-Q134 VanDerWaalsContact C-N 3.31Å; F132-Q134 PolarHBondContact O-N 3.24Å; F132-A135 WeakPolarHBondContact O-CB 3.47Å; F132-A135 PolarHBondContact O-N 3.22Å; F132-R136 HydrophobicContact CD1-CG 4.21Å; F132-R136 HydrophobicContact CE1-CG 3.63Å; F132-R136 HydrophobicContact CE2-CG 4.19Å; F132-R136 HydrophobicContact CZ-CG 3.62Å; F132-R136 PolarHBondContact O-N 2.96Å; F132-F175 HydrophobicContact CB-CD1 4.05Å; F132-F175 HydrophobicContact CB-CE1 4.4Å; F132-F175 HydrophobicContact CB-CG 4.24Å; F132-F175 HydrophobicContact CD2-CD2 4.34Å; F132-F175 HydrophobicContact CD2-CE1 4.44Å; F132-F175 HydrophobicContact CD2-CE2 4.14Å; F132-F175 HydrophobicContact CD2-CZ 4.19Å; F132-L183 HydrophobicContact CB-CD2 4.37Å; F132-L183 HydrophobicContact CD1-CD2 3.85Å; F132-L183 HydrophobicContact CD1-CG 4.47Å; F132-L183 HydrophobicContact CD2-CD1 4.42Å; F132-L183 HydrophobicContact CD2-CD2 3.69Å; F132-L183 HydrophobicContact CD2-CG 3.84Å; F132-L183 HydrophobicContact CE1-CD1 3.83Å; F132-L183 HydrophobicContact CE1-CD2 4.03Å; F132-L183 HydrophobicContact CE1-CG 4.22Å; F132-L183 HydrophobicContact CE2-CD1 3.71Å; F132-L183 HydrophobicContact CE2-CD2 3.86Å; F132-L183 HydrophobicContact CE2-CG 3.52Å; F132-L183 HydrophobicContact CG-CD2 3.68Å; F132-L183 HydrophobicContact CG-CG 4.29Å; F132-L183 HydrophobicContact CZ-CD1 3.38Å; F132-L183 HydrophobicContact CZ-CD2 4.03Å; F132-L183 HydrophobicContact CZ-CG 3.73Å; F132-F187 HydrophobicContact CD2-CD2 4.35Å; F132-F187 HydrophobicContact CE2-CB 4.17Å; F132-F187 AromaticContact CE2-CD2 3.96Å; F132-F187 HydrophobicContact CE2-CD2 3.96Å; F132-F187 HydrophobicContact CE2-CG 4.43Å
133	V	97.3	Very high	96.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63	-38	178.9	167.1	0	0	0	0	111.6	L61 Y94 L97 H98 L101 L129 C130 F131 R136 M137	L61-V133 HydrophobicContact CD1-CG2 4.47Å; Y94-V133 HydrophobicContact CD1-CB 4.36Å; Y94-V133 HydrophobicContact CD1-CG1 3.71Å; Y94-V133 HydrophobicContact CD1-CG2 4.21Å; Y94-V133 HydrophobicContact CG-CG1 4.12Å; Y94-V133 WeakPolarHBondContact O-CG1 3.28Å; L97-V133 HydrophobicContact CD2-CG2 3.69Å; L97-V133 HydrophobicContact CG-CG2 4.05Å; H98-V133 HydrophobicContact CB-CG1 3.96Å; L101-V133 HydrophobicContact CD1-CG2 4.03Å; L129-V133 WeakPolarHBondContact O-CB 3.38Å; L129-V133 VanDerWaalsContact O-CG2 3.27Å; L129-V133 WeakPolarHBondContact O-CG2 3.37Å; L129-V133 PolarHBondContact O-N 3.48Å; C130-V133 PolarHBondContact O-N 3.38Å; F131-V133 PolarHBondContact O-N 3.17Å; V133-R136 PolarHBondContact O-N 3.43Å; V133-M137 HydrophobicContact CG1-CE 4.33Å; V133-M137 WeakPolarHBondContact O-CG 3.37Å; V133-M137 PolarHBondContact O-N 3.04Å; V133-M137 VanDerWaalsContact O-N 3.07Å
134	Q	96.7	Very high	96.2	Very high	59 Å²	59	22.9 Å²	22.9	28%	0.276	11%	0.11	S	C	.	.	H	α-helix	trans	-64.1	-45.8	172.8	-71.3	173.5	-8.3	0	0	112.1	H98 C130 F131 F132 R136 M137 E138 Y171	H98-Q134 PolarHBondContact NE2-NE2 2.99Å; C130-Q134 VanDerWaalsContact O-CG 3.29Å; C130-Q134 WeakPolarHBondContact O-CG 3.48Å; C130-Q134 PolarHBondContact O-N 3.19Å; F131-Q134 PolarHBondContact O-N 3.28Å; F132-Q134 VanDerWaalsContact C-N 3.31Å; F132-Q134 PolarHBondContact O-N 3.24Å; Q134-R136 VanDerWaalsContact C-N 3.3Å; Q134-R136 PolarHBondContact O-N 3.32Å; Q134-M137 HydrophobicContact CB-CE 4.48Å; Q134-M137 HydrophobicContact CG-CE 4.17Å; Q134-M137 PolarHBondContact O-N 3.27Å; Q134-E138 PolarHBondContact O-N 3.38Å; Q134-E138 VanDerWaalsContact O-N 3.17Å; Q134-Y171 HydrophobicContact CB-CE1 3.98Å; Q134-Y171 WeakPolarHBondContact CB-OH 3.34Å
135	A	97.1	Very high	96.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.6	-43	175.7	0	0	0	0	0	111.5	F131 F132 M137 E138 I139 Y171 F175 F187	F131-A135 WeakPolarHBondContact O-CB 3.23Å; F131-A135 PolarHBondContact O-N 3.45Å; F132-A135 WeakPolarHBondContact O-CB 3.47Å; F132-A135 PolarHBondContact O-N 3.22Å; A135-M137 PolarHBondContact O-N 2.96Å; A135-E138 PolarHBondContact O-N 3.38Å; A135-I139 WeakPolarHBondContact O-CG1 3.42Å; A135-I139 PolarHBondContact O-N 3.32Å; A135-Y171 HydrophobicContact CB-CD1 3.9Å; A135-Y171 HydrophobicContact CB-CD2 3.58Å; A135-Y171 HydrophobicContact CB-CE1 4.26Å; A135-Y171 HydrophobicContact CB-CE2 3.97Å; A135-Y171 HydrophobicContact CB-CG 3.55Å; A135-F175 HydrophobicContact CB-CE1 4.34Å; A135-F187 HydrophobicContact CB-CE2 3.7Å; A135-F187 HydrophobicContact CB-CZ 3.88Å
136	R	96.3	Very high	96.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.7	-40.9	175.7	-81.9	-66.4	-166	-150.1	0.8	113.5	E65 Y68 H69 Y94 F132 V133 Q134 I139 A140 E190	E65-R136 IonicContact OE1-CZ 3Å; E65-R136 IonicContact OE1-NE 3.25Å; E65-R136 PolarHBondContact OE1-NE 3.03Å; E65-R136 IonicContact OE2-CZ 2.95Å; E65-R136 VanDerWaalsContact OE2-CZ 3.28Å; E65-R136 IonicContact OE2-NE 2.67Å; E65-R136 PolarHBondContact OE2-NE 2.87Å; E65-R136 IonicContact OE2-NH2 3.94Å; E65-R136 PolarHBondContact OE2-NH2 2.79Å; Y68-R136 VanDerWaalsContact CZ-NH1 3.27Å; Y68-R136 PolarHBondContact OH-NH1 3.24Å; H69-R136 PolarHBondContact CE1-NH2 2.68Å; H69-R136 PolarHBondContact NE2-NH2 3.29Å; Y94-R136 HydrophobicContact CE1-CB 4.02Å; Y94-R136 HydrophobicContact CE1-CG 4.36Å; Y94-R136 HydrophobicContact CE2-CB 4.06Å; F132-R136 HydrophobicContact CD1-CG 4.21Å; F132-R136 HydrophobicContact CE1-CG 3.63Å; F132-R136 HydrophobicContact CE2-CG 4.19Å; F132-R136 HydrophobicContact CZ-CG 3.62Å; F132-R136 PolarHBondContact O-N 2.96Å; V133-R136 PolarHBondContact O-N 3.43Å; Q134-R136 VanDerWaalsContact C-N 3.3Å; Q134-R136 PolarHBondContact O-N 3.32Å; R136-I139 PolarHBondContact O-N 2.85Å; R136-A140 WeakPolarHBondContact O-CB 3.27Å; R136-A140 PolarHBondContact O-N 2.85Å; R136-E190 IonicContact CZ-OE2 3.38Å; R136-E190 VanDerWaalsContact NH1-CD 3.3Å; R136-E190 IonicContact NH1-OE1 3.78Å; R136-E190 PolarHBondContact NH1-OE1 3.38Å; R136-E190 IonicContact NH1-OE2 2.91Å; R136-E190 PolarHBondContact NH1-OE2 3.15Å; R136-E190 IonicContact NH2-OE2 3.83Å
137	M	95.4	Very high	96.2	Very high	28 Å²	28	25.2 Å²	25.2	14%	0.138	12%	0.118	C	C	.	.	H	α-helix	trans	-62	-43.9	175.3	-72.9	-173.4	-71.2	0	0	111.8	R91 Y94 V133 Q134 A135 A140 D141	R91-M137 HydrophobicContact CG-SD 4.36Å; Y94-M137 VanDerWaalsContact CB-CG 3.41Å; Y94-M137 HydrophobicContact CD2-CG 4.11Å; Y94-M137 HydrophobicContact CG-CG 4.02Å; V133-M137 HydrophobicContact CG1-CE 4.33Å; V133-M137 WeakPolarHBondContact O-CG 3.37Å; V133-M137 PolarHBondContact O-N 3.04Å; V133-M137 VanDerWaalsContact O-N 3.07Å; Q134-M137 HydrophobicContact CB-CE 4.48Å; Q134-M137 HydrophobicContact CG-CE 4.17Å; Q134-M137 PolarHBondContact O-N 3.27Å; A135-M137 PolarHBondContact O-N 2.96Å; M137-A140 PolarHBondContact O-N 3.24Å; M137-D141 VanDerWaalsContact O-CG 3.27Å; M137-D141 PolarHBondContact O-N 3.46Å
138	E	96.6	Very high	96	Very high	53 Å²	53	24.6 Å²	24.6	25%	0.248	12%	0.12	C	C	.	.	H	α-helix	trans	-66.2	-37.5	178.8	-70.8	-175.8	-140	0	0	112.4	Q134 A135 D141 F142 I167 K170 Y171	Q134-E138 PolarHBondContact O-N 3.38Å; Q134-E138 VanDerWaalsContact O-N 3.17Å; A135-E138 PolarHBondContact O-N 3.38Å; E138-D141 PolarHBondContact O-N 2.82Å; E138-F142 WeakPolarHBondContact O-CB 3.5Å; E138-F142 PolarHBondContact O-N 3.23Å; E138-I167 HydrophobicContact CB-CD1 4.09Å; E138-I167 HydrophobicContact CB-CG1 4.25Å; E138-I167 HydrophobicContact CB-CG2 4.29Å; E138-K170 IonicContact OE1-NZ 3.07Å; E138-K170 PolarHBondContact OE1-NZ 3.29Å; E138-K170 IonicContact OE2-NZ 3.37Å; E138-Y171 WeakPolarHBondContact OE1-CE2 3.29Å; E138-Y171 PolarHBondContact OE1-OH 3.16Å
139	I	97.2	Very high	95.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-72.6	-35.1	175.5	-57.4	163.4	0	0	0	111.3	Y68 A135 R136 D141 F142 Y143 I167 F187 V191	Y68-I139 WeakPolarHBondContact OH-CB 3.46Å; Y68-I139 WeakPolarHBondContact OH-CG2 3.3Å; A135-I139 WeakPolarHBondContact O-CG1 3.42Å; A135-I139 PolarHBondContact O-N 3.32Å; R136-I139 PolarHBondContact O-N 2.85Å; I139-D141 VanDerWaalsContact C-N 3.29Å; I139-D141 PolarHBondContact O-N 3.03Å; I139-F142 WeakPolarHBondContact O-CB 3.45Å; I139-F142 PolarHBondContact O-N 3.28Å; I139-F142 VanDerWaalsContact O-N 3.17Å; I139-Y143 HydrophobicContact CG2-CD2 3.92Å; I139-Y143 HydrophobicContact CG2-CE2 3.58Å; I139-Y143 WeakPolarHBondContact O-CD2 3.45Å; I139-Y143 PolarHBondContact O-N 2.99Å; I139-I167 HydrophobicContact CG1-CG2 4.08Å; I139-F187 HydrophobicContact CD1-CD2 4.05Å; I139-F187 HydrophobicContact CD1-CE2 3.21Å; I139-F187 HydrophobicContact CD1-CZ 3.58Å; I139-V191 HydrophobicContact CD1-CG2 3.54Å; I139-V191 HydrophobicContact CG1-CG2 4.48Å
140	A	95.8	Very high	95.4	Very high	2 Å²	2	26.5 Å²	26.5	2%	0.017	13%	0.131	C	C	.	.	H	α-helix	trans	-61	-41.7	172.9	0	0	0	0	0	111.3	Y68 Y73 I90 R136 M137 F142 Y143 E144	Y68-A140 HydrophobicContact CD2-CB 4.2Å; Y68-A140 HydrophobicContact CE2-CB 3.95Å; Y73-A140 HydrophobicContact CE2-CB 4.11Å; Y73-A140 WeakPolarHBondContact OH-CA 3.33Å; I90-A140 HydrophobicContact CG2-CB 3.99Å; R136-A140 WeakPolarHBondContact O-CB 3.27Å; R136-A140 PolarHBondContact O-N 2.85Å; M137-A140 PolarHBondContact O-N 3.24Å; A140-F142 VanDerWaalsContact C-N 3.33Å; A140-Y143 PolarHBondContact O-N 3.4Å; A140-E144 PolarHBondContact O-N 3.5Å
141	D	94.7	Very high	95	Very high	59 Å²	59	31.5 Å²	31.5	32%	0.316	16%	0.162	S	C	.	.	H	α-helix	trans	-64.7	-38	173.8	-69.6	-24.5	0	0	0	111.9	R91 M137 E138 I139 E144 K145	R91-D141 IonicContact CZ-OD1 2.66Å; R91-D141 IonicContact CZ-OD2 2.66Å; R91-D141 IonicContact NH1-OD1 2.74Å; R91-D141 IonicContact NH1-OD2 2.69Å; R91-D141 PolarHBondContact NH1-OD2 3.43Å; R91-D141 IonicContact NH2-OD1 2.69Å; R91-D141 PolarHBondContact NH2-OD1 3.17Å; R91-D141 IonicContact NH2-OD2 3.81Å; R91-D141 PolarHBondContact NH2-OD2 3.46Å; M137-D141 VanDerWaalsContact O-CG 3.27Å; M137-D141 PolarHBondContact O-N 3.46Å; E138-D141 PolarHBondContact O-N 2.82Å; I139-D141 VanDerWaalsContact C-N 3.29Å; I139-D141 PolarHBondContact O-N 3.03Å; D141-E144 PolarHBondContact O-N 3.3Å; D141-K145 PolarHBondContact O-N 3.19Å
142	F	97	Very high	94.6	Very high	9 Å²	9	35 Å²	35	4%	0.039	18%	0.178	C	C	.	.	H	α-helix	trans	-60.6	-45.2	173.2	-176.4	-97.8	0	0	0	111.8	E138 I139 A140 K145 M146 L160 L163 L164 I167 L194 L198	E138-F142 WeakPolarHBondContact O-CB 3.5Å; E138-F142 PolarHBondContact O-N 3.23Å; I139-F142 WeakPolarHBondContact O-CB 3.45Å; I139-F142 PolarHBondContact O-N 3.28Å; I139-F142 VanDerWaalsContact O-N 3.17Å; A140-F142 VanDerWaalsContact C-N 3.33Å; F142-K145 WeakPolarHBondContact O-CB 3.38Å; F142-K145 PolarHBondContact O-N 3.48Å; F142-M146 HydrophobicContact CD1-CG 4.26Å; F142-M146 HydrophobicContact CD1-SD 3.77Å; F142-M146 HydrophobicContact CE1-CG 3.98Å; F142-M146 HydrophobicContact CE1-SD 3.28Å; F142-M146 WeakPolarHBondContact CE1-SD 3.25Å; F142-M146 HydrophobicContact CZ-CG 4.35Å; F142-M146 HydrophobicContact CZ-SD 4.04Å; F142-M146 WeakPolarHBondContact O-CG 3.25Å; F142-M146 PolarHBondContact O-N 3.47Å; F142-L160 HydrophobicContact CE2-CB 4.24Å; F142-L160 HydrophobicContact CE2-CD2 3.94Å; F142-L160 VanDerWaalsContact CE2-O 3.31Å; F142-L160 WeakPolarHBondContact CE2-O 3.09Å; F142-L160 HydrophobicContact CZ-CB 4.05Å; F142-L160 HydrophobicContact CZ-CD2 4.19Å; F142-L163 HydrophobicContact CD2-CB 4.33Å; F142-L163 HydrophobicContact CE2-CB 4.08Å; F142-L164 HydrophobicContact CD1-CD1 4.22Å; F142-L164 HydrophobicContact CE1-CD1 4.16Å; F142-L164 HydrophobicContact CE1-CD2 4.42Å; F142-L164 HydrophobicContact CE2-CB 4.15Å; F142-L164 HydrophobicContact CG-CD1 4.48Å; F142-L164 HydrophobicContact CZ-CB 4.03Å; F142-L164 HydrophobicContact CZ-CD1 4.39Å; F142-L164 HydrophobicContact CZ-CD2 4.47Å; F142-I167 HydrophobicContact CB-CD1 4.39Å; F142-L194 HydrophobicContact CD1-CD2 3.94Å; F142-L194 HydrophobicContact CE1-CD2 3.62Å; F142-L194 HydrophobicContact CE1-CG 4.26Å; F142-L198 HydrophobicContact CE1-CD1 3.95Å; F142-L198 HydrophobicContact CZ-CD1 3.61Å
143	Y	97	Very high	94	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-37.9	175.2	-76.4	-48.7	0	0	0	112.9	Y68 L71 I139 A140 M146 Y147 E190 L194 L254 W257 L439	Y68-Y143 WeakPolarHBondContact OH-CE2 3.35Å; L71-Y143 HydrophobicContact CD2-CD2 4.15Å; L71-Y143 HydrophobicContact CD2-CG 4.4Å; I139-Y143 HydrophobicContact CG2-CD2 3.92Å; I139-Y143 HydrophobicContact CG2-CE2 3.58Å; I139-Y143 WeakPolarHBondContact O-CD2 3.45Å; I139-Y143 PolarHBondContact O-N 2.99Å; A140-Y143 PolarHBondContact O-N 3.4Å; Y143-M146 HydrophobicContact CD1-SD 4.11Å; Y143-M146 HydrophobicContact CE1-SD 4.44Å; Y143-M146 PolarHBondContact O-N 3.42Å; Y143-Y147 WeakPolarHBondContact O-CB 3.46Å; Y143-Y147 PolarHBondContact O-N 2.89Å; Y143-E190 WeakPolarHBondContact CE2-OE1 3.48Å; Y143-E190 PolarHBondContact OH-OE1 3.5Å; Y143-L194 HydrophobicContact CE1-CD1 4.24Å; Y143-L194 HydrophobicContact CE1-CD2 3.66Å; Y143-L254 HydrophobicContact CE1-CD1 3.88Å; Y143-L254 HydrophobicContact CE2-CD1 3.97Å; Y143-L254 HydrophobicContact CE2-CD2 3.99Å; Y143-L254 VanDerWaalsContact CZ-CD1 3.46Å; Y143-L254 WeakPolarHBondContact OH-CD1 3.35Å; Y143-W257 HydrophobicContact CE1-CZ3 4.35Å; Y143-L439 HydrophobicContact CD1-CD1 3.99Å; Y143-L439 HydrophobicContact CD1-CD2 3.9Å; Y143-L439 HydrophobicContact CD1-CG 4.5Å; Y143-L439 HydrophobicContact CE1-CD1 4.36Å; Y143-L439 HydrophobicContact CG-CD2 4.28Å; Y143-L439 WeakPolarHBondContact O-CD2 3.49Å
144	E	93.9	Very high	93.4	Very high	57 Å²	57	43.2 Å²	43.2	27%	0.266	22%	0.215	S	C	.	.	H	α-helix	trans	-62.2	-44.9	172.4	-170.3	66.4	-143.6	0	0	110.8	L74 G75 A140 D141 M146 Y147 T148	L74-E144 VanDerWaalsContact CA-OE2 3.29Å; L74-E144 WeakPolarHBondContact CA-OE2 3.22Å; L74-E144 HydrophobicContact CD2-CB 4.16Å; L74-E144 WeakPolarHBondContact CD2-OE2 3.18Å; G75-E144 PolarHBondContact N-OE1 3.39Å; G75-E144 PolarHBondContact N-OE2 3.3Å; A140-E144 PolarHBondContact O-N 3.5Å; D141-E144 PolarHBondContact O-N 3.3Å; E144-M146 PolarHBondContact O-N 2.9Å; E144-Y147 WeakPolarHBondContact O-CB 3.49Å; E144-Y147 PolarHBondContact O-N 3.15Å; E144-Y147 VanDerWaalsContact O-N 3.13Å; E144-T148 WeakPolarHBondContact O-CG2 3.21Å; E144-T148 PolarHBondContact O-N 3.27Å
145	K	94.4	Very high	93.1	Very high	69 Å²	69	41 Å²	41	30%	0.3	20%	0.204	S	C	.	.	H	α-helix	trans	-56.1	-50.4	173.8	-175.3	175.5	179.4	176.5	0	110.7	D141 F142 Y147 T148 L149 E159 L160 L163	D141-K145 PolarHBondContact O-N 3.19Å; F142-K145 WeakPolarHBondContact O-CB 3.38Å; F142-K145 PolarHBondContact O-N 3.48Å; K145-Y147 VanDerWaalsContact C-N 3.31Å; K145-Y147 PolarHBondContact O-N 3.08Å; K145-T148 PolarHBondContact O-N 3.03Å; K145-T148 VanDerWaalsContact O-N 3.17Å; K145-T148 PolarHBondContact O-OG1 2.86Å; K145-L149 HydrophobicContact CG-CD1 4.41Å; K145-L149 WeakPolarHBondContact O-CG 3.35Å; K145-L149 PolarHBondContact O-N 2.77Å; K145-E159 IonicContact NZ-OE1 3.92Å; K145-E159 PolarHBondContact NZ-OE1 3.2Å; K145-L160 HydrophobicContact CD-CD2 4.45Å; K145-L163 HydrophobicContact CD-CD1 4.15Å
146	M	95.1	Very high	92.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-56.9	-44	176.1	-68.6	-177.9	75.2	0	0	112.1	F142 Y143 E144 T148 L149 S150 L160 L194 L198 W257 F436 L439	F142-M146 HydrophobicContact CD1-CG 4.26Å; F142-M146 HydrophobicContact CD1-SD 3.77Å; F142-M146 HydrophobicContact CE1-CG 3.98Å; F142-M146 HydrophobicContact CE1-SD 3.28Å; F142-M146 WeakPolarHBondContact CE1-SD 3.25Å; F142-M146 HydrophobicContact CZ-CG 4.35Å; F142-M146 HydrophobicContact CZ-SD 4.04Å; F142-M146 WeakPolarHBondContact O-CG 3.25Å; F142-M146 PolarHBondContact O-N 3.47Å; Y143-M146 HydrophobicContact CD1-SD 4.11Å; Y143-M146 HydrophobicContact CE1-SD 4.44Å; Y143-M146 PolarHBondContact O-N 3.42Å; E144-M146 PolarHBondContact O-N 2.9Å; M146-T148 VanDerWaalsContact C-N 3.35Å; M146-T148 PolarHBondContact O-N 2.79Å; M146-L149 WeakPolarHBondContact O-CB 3.29Å; M146-L149 PolarHBondContact O-N 3.33Å; M146-S150 PolarHBondContact O-N 2.83Å; M146-L160 HydrophobicContact CG-CD1 4.32Å; M146-L160 HydrophobicContact CG-CD2 4.4Å; M146-L194 HydrophobicContact CE-CD1 4.21Å; M146-L194 HydrophobicContact SD-CD1 4.23Å; M146-L198 HydrophobicContact CE-CD2 3.96Å; M146-W257 HydrophobicContact CE-CH2 3.62Å; M146-W257 HydrophobicContact CE-CZ2 4.27Å; M146-F436 HydrophobicContact CB-CD1 3.92Å; M146-F436 HydrophobicContact CB-CE1 4.09Å; M146-F436 HydrophobicContact CE-CD1 4Å; M146-F436 HydrophobicContact CE-CE1 3.35Å; M146-F436 HydrophobicContact CE-CZ 3.67Å; M146-F436 HydrophobicContact CG-CE1 4.19Å; M146-F436 WeakPolarHBondContact O-CD1 3.49Å; M146-L439 HydrophobicContact CB-CD2 4.24Å
147	Y	93.7	Very high	92.6	Very high	52 Å²	52	44.6 Å²	44.6	20%	0.204	22%	0.224	C	C	.	.	H	α-helix	trans	-60.3	-43.4	177.6	-179.8	-112	0	0	0	112	L74 Y143 E144 K145 L149 S150 A437 K440	L74-Y147 HydrophobicContact CB-CD1 4.42Å; L74-Y147 HydrophobicContact CB-CG 4.43Å; Y143-Y147 WeakPolarHBondContact O-CB 3.46Å; Y143-Y147 PolarHBondContact O-N 2.89Å; E144-Y147 WeakPolarHBondContact O-CB 3.49Å; E144-Y147 PolarHBondContact O-N 3.15Å; E144-Y147 VanDerWaalsContact O-N 3.13Å; K145-Y147 VanDerWaalsContact C-N 3.31Å; K145-Y147 PolarHBondContact O-N 3.08Å; Y147-L149 VanDerWaalsContact C-N 3.3Å; Y147-L149 PolarHBondContact O-N 3.37Å; Y147-S150 WeakPolarHBondContact O-CB 3.47Å; Y147-S150 PolarHBondContact O-N 2.75Å; Y147-S150 VanDerWaalsContact O-N 3.1Å; Y147-S150 PolarHBondContact O-OG 3.18Å; Y147-A437 WeakPolarHBondContact CE2-O 3.33Å; Y147-K440 HydrophobicContact CD2-CB 4.15Å; Y147-K440 HydrophobicContact CE2-CB 3.61Å; Y147-K440 HydrophobicContact CE2-CD 4.36Å; Y147-K440 WeakPolarHBondContact OH-CD 3.4Å
148	T	91.6	Very high	92.5	Very high	70 Å²	70	50.1 Å²	50.1	43%	0.429	25%	0.25	S	C	.	.	H	α-helix	trans	-63.2	-36.3	176.7	64.3	0	0	0	0	112.7	E144 K145 M146 S150 T151	E144-T148 WeakPolarHBondContact O-CG2 3.21Å; E144-T148 PolarHBondContact O-N 3.27Å; K145-T148 PolarHBondContact O-N 3.03Å; K145-T148 VanDerWaalsContact O-N 3.17Å; K145-T148 PolarHBondContact O-OG1 2.86Å; M146-T148 VanDerWaalsContact C-N 3.35Å; M146-T148 PolarHBondContact O-N 2.79Å; T148-S150 PolarHBondContact O-N 2.74Å; T148-S150 VanDerWaalsContact O-N 3.14Å; T148-T151 PolarHBondContact O-N 3.32Å; T148-T151 PolarHBondContact O-OG1 2.61Å
149	L	92.1	Very high	92.4	Very high	33 Å²	33	52.3 Å²	52.3	17%	0.173	26%	0.26	C	S	.	.	H	α-helix	trans	-64.6	-14.6	176.2	-67	175.5	0	0	0	113.2	K145 M146 Y147 T151 Q152 I155 L160	K145-L149 HydrophobicContact CG-CD1 4.41Å; K145-L149 WeakPolarHBondContact O-CG 3.35Å; K145-L149 PolarHBondContact O-N 2.77Å; M146-L149 WeakPolarHBondContact O-CB 3.29Å; M146-L149 PolarHBondContact O-N 3.33Å; Y147-L149 VanDerWaalsContact C-N 3.3Å; Y147-L149 PolarHBondContact O-N 3.37Å; L149-T151 PolarHBondContact O-N 3.4Å; L149-T151 VanDerWaalsContact O-N 3.12Å; L149-Q152 HydrophobicContact CD2-CG 3.83Å; L149-Q152 WeakPolarHBondContact O-CB 3.46Å; L149-Q152 PolarHBondContact O-N 3.28Å; L149-I155 HydrophobicContact CB-CG1 4.39Å; L149-I155 HydrophobicContact CD1-CG2 4.38Å; L149-L160 HydrophobicContact CD1-CD1 3.99Å; L149-L160 HydrophobicContact CD1-CD2 3.85Å; L149-L160 HydrophobicContact CD1-CG 4.25Å
150	S	90.3	Very high	92.4	Very high	15 Å²	15	52.4 Å²	52.4	11%	0.105	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.5	175.5	71.7	0	0	0	0	114.4	M146 Y147 T148 P433 A437	M146-S150 PolarHBondContact O-N 2.83Å; Y147-S150 WeakPolarHBondContact O-CB 3.47Å; Y147-S150 PolarHBondContact O-N 2.75Å; Y147-S150 VanDerWaalsContact O-N 3.1Å; Y147-S150 PolarHBondContact O-OG 3.18Å; T148-S150 PolarHBondContact O-N 2.74Å; T148-S150 VanDerWaalsContact O-N 3.14Å; S150-P433 WeakPolarHBondContact O-CB 3.35Å; S150-A437 VanDerWaalsContact CB-N 3.3Å
151	T	88.3	Confident	92.4	Very high	118 Å²	118	53 Å²	53	72%	0.724	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-8.2	176.9	61.2	0	0	0	0	113.2	T148 L149	T148-T151 PolarHBondContact O-N 3.32Å; T148-T151 PolarHBondContact O-OG1 2.61Å; L149-T151 PolarHBondContact O-N 3.4Å; L149-T151 VanDerWaalsContact O-N 3.12Å
152	Q	87.8	Confident	92.5	Very high	110 Å²	110	52.3 Å²	52.3	51%	0.514	27%	0.271	S	S	.	.	S	Bend	trans	-78.4	153.8	-179.2	-61.8	-67.1	-12.3	0	0	111	L149 F154	L149-Q152 HydrophobicContact CD2-CG 3.83Å; L149-Q152 WeakPolarHBondContact O-CB 3.46Å; L149-Q152 PolarHBondContact O-N 3.28Å; Q152-F154 VanDerWaalsContact C-N 3.26Å; Q152-F154 PolarHBondContact O-N 3.3Å
153	K	85.3	Confident	92.4	Very high	101 Å²	101	55.2 Å²	55.2	44%	0.439	29%	0.286	S	S	.	.	S	Bend	trans	-68.7	-27.9	-179.7	-57	-167.4	-177	-162.4	0	113.1	L378 E379	K153-L378 HydrophobicContact CB-CD1 4.48Å; K153-E379 HydrophobicContact CD-CG 4.31Å; K153-E379 WeakPolarHBondContact CD-OE1 3.18Å; K153-E379 VanDerWaalsContact CE-CD 3.47Å; K153-E379 WeakPolarHBondContact CE-OE1 3.49Å; K153-E379 VanDerWaalsContact CE-OE2 3.3Å; K153-E379 WeakPolarHBondContact CE-OE2 3.47Å; K153-E379 WeakPolarHBondContact CG-OE1 3.46Å; K153-E379 IonicContact NZ-OE1 3.02Å; K153-E379 IonicContact NZ-OE2 3.99Å; K153-E379 PolarHBondContact NZ-OE2 2.94Å
154	F	84.9	Confident	92.4	Very high	73 Å²	73	55.2 Å²	55.2	32%	0.32	29%	0.286	S	S	.	.			trans	-147.2	149.4	-178.4	173.2	-106.1	0	0	0	109.4	Q152 N156 L378 P400	Q152-F154 VanDerWaalsContact C-N 3.26Å; Q152-F154 PolarHBondContact O-N 3.3Å; F154-N156 HydrophobicContact CE1-CB 4.04Å; F154-L378 HydrophobicContact CB-CD1 3.91Å; F154-P400 HydrophobicContact CD1-CG 4.49Å; F154-P400 VanDerWaalsContact CD2-CD 3.5Å; F154-P400 HydrophobicContact CD2-CG 3.91Å; F154-P400 HydrophobicContact CE1-CG 4.45Å; F154-P400 HydrophobicContact CE2-CG 3.87Å; F154-P400 HydrophobicContact CG-CG 4.23Å; F154-P400 HydrophobicContact CZ-CG 4.14Å
155	I	89.8	Confident	92.4	Very high	11 Å²	11	55.2 Å²	55.2	6%	0.056	29%	0.288	C	S	.	.			trans	-117.4	113.5	178.4	-60.3	176.4	0	0	0	107.7	L149 A157 L160 F436	L149-I155 HydrophobicContact CB-CG1 4.39Å; L149-I155 HydrophobicContact CD1-CG2 4.38Å; I155-A157 PolarHBondContact O-N 3.14Å; I155-L160 HydrophobicContact CG2-CD1 3.84Å; I155-F436 HydrophobicContact CD1-CB 4.43Å; I155-F436 HydrophobicContact CD1-CD1 3.76Å; I155-F436 HydrophobicContact CD1-CD2 3.78Å; I155-F436 HydrophobicContact CD1-CE1 3.88Å; I155-F436 HydrophobicContact CD1-CE2 3.94Å; I155-F436 HydrophobicContact CD1-CG 3.73Å; I155-F436 HydrophobicContact CD1-CZ 4Å; I155-F436 HydrophobicContact CG2-CE1 3.95Å; I155-F436 HydrophobicContact CG2-CZ 4.05Å
156	N	90.6	Very high	92.5	Very high	73 Å²	73	54.8 Å²	54.8	39%	0.39	30%	0.297	S	S	.	.			trans	-75.2	93.7	173	-171.4	-16.1	0	0	0	109.8	F154 E158 E159 L160	F154-N156 HydrophobicContact CE1-CB 4.04Å; N156-E158 VanDerWaalsContact C-N 3.31Å; N156-E158 PolarHBondContact O-N 3.21Å; N156-E158 PolarHBondContact OD1-N 3.25Å; N156-E159 HydrophobicContact CB-CB 4.3Å; N156-E159 PolarHBondContact OD1-N 3.25Å; N156-L160 PolarHBondContact O-N 3.22Å
157	A	93.1	Very high	92.4	Very high	3 Å²	3	55.6 Å²	55.6	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-69	-27.9	-178.4	0	0	0	0	0	112.9	I155 L160 V161 Q201 A202	I155-A157 PolarHBondContact O-N 3.14Å; A157-L160 PolarHBondContact O-N 3.05Å; A157-V161 WeakPolarHBondContact O-CG2 3.5Å; A157-V161 PolarHBondContact O-N 2.69Å; A157-Q201 HydrophobicContact CB-CB 4.06Å; A157-Q201 HydrophobicContact CB-CG 3.94Å; A157-A202 HydrophobicContact CB-CB 3.83Å
158	E	93.1	Very high	92.3	Very high	145 Å²	145	54.1 Å²	54.1	68%	0.678	30%	0.297	S	S	*	.	H	α-helix	trans	-66.9	-42.2	178.6	-175	171.8	-155.2	0	0	111.7	N156 L160 V161 G162 A202	N156-E158 VanDerWaalsContact C-N 3.31Å; N156-E158 PolarHBondContact O-N 3.21Å; N156-E158 PolarHBondContact OD1-N 3.25Å; E158-L160 VanDerWaalsContact C-N 3.32Å; E158-L160 PolarHBondContact O-N 3.4Å; E158-V161 WeakPolarHBondContact O-CB 3.43Å; E158-V161 PolarHBondContact O-N 3.42Å; E158-G162 PolarHBondContact O-N 3.34Å; E158-A202 HydrophobicContact CB-CB 4.5Å
159	E	94.9	Very high	92.4	Very high	99 Å²	99	59.2 Å²	59.2	46%	0.463	31%	0.313	S	S	.	.	H	α-helix	trans	-59.9	-43.5	173.3	-170.6	-162.6	144.6	0	0	111.2	K145 N156 V161 G162 L163	K145-E159 IonicContact NZ-OE1 3.92Å; K145-E159 PolarHBondContact NZ-OE1 3.2Å; N156-E159 HydrophobicContact CB-CB 4.3Å; N156-E159 PolarHBondContact OD1-N 3.25Å; E159-V161 VanDerWaalsContact C-N 3.33Å; E159-V161 PolarHBondContact O-N 3.17Å; E159-G162 PolarHBondContact O-N 3.13Å; E159-L163 HydrophobicContact CG-CD1 4.35Å; E159-L163 WeakPolarHBondContact O-CG 3.28Å; E159-L163 PolarHBondContact O-N 2.86Å
160	L	96.3	Very high	92.5	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-63.2	-38.6	177.5	-68.6	178.7	0	0	0	112.2	F142 K145 M146 L149 I155 N156 A157 E158 L163 L164 L198 F436	F142-L160 HydrophobicContact CE2-CB 4.24Å; F142-L160 HydrophobicContact CE2-CD2 3.94Å; F142-L160 VanDerWaalsContact CE2-O 3.31Å; F142-L160 WeakPolarHBondContact CE2-O 3.09Å; F142-L160 HydrophobicContact CZ-CB 4.05Å; F142-L160 HydrophobicContact CZ-CD2 4.19Å; K145-L160 HydrophobicContact CD-CD2 4.45Å; M146-L160 HydrophobicContact CG-CD1 4.32Å; M146-L160 HydrophobicContact CG-CD2 4.4Å; L149-L160 HydrophobicContact CD1-CD1 3.99Å; L149-L160 HydrophobicContact CD1-CD2 3.85Å; L149-L160 HydrophobicContact CD1-CG 4.25Å; I155-L160 HydrophobicContact CG2-CD1 3.84Å; N156-L160 PolarHBondContact O-N 3.22Å; A157-L160 PolarHBondContact O-N 3.05Å; E158-L160 VanDerWaalsContact C-N 3.32Å; E158-L160 PolarHBondContact O-N 3.4Å; L160-L163 PolarHBondContact O-N 3.4Å; L160-L164 WeakPolarHBondContact O-CB 3.39Å; L160-L164 PolarHBondContact O-N 3.34Å; L160-L198 HydrophobicContact CB-CD1 4.12Å; L160-L198 HydrophobicContact CB-CD2 4.4Å; L160-L198 HydrophobicContact CD1-CD2 4.12Å; L160-F436 HydrophobicContact CD1-CE1 4.08Å
161	V	96.6	Very high	92.6	Very high	16 Å²	16	62.7 Å²	62.7	10%	0.097	33%	0.325	C	S	.	.	H	α-helix	trans	-61.4	-47.7	173.5	169.9	0	0	0	0	110.6	A157 E158 E159 L163 L164 D165 L198 K199	A157-V161 WeakPolarHBondContact O-CG2 3.5Å; A157-V161 PolarHBondContact O-N 2.69Å; E158-V161 WeakPolarHBondContact O-CB 3.43Å; E158-V161 PolarHBondContact O-N 3.42Å; E159-V161 VanDerWaalsContact C-N 3.33Å; E159-V161 PolarHBondContact O-N 3.17Å; V161-L163 VanDerWaalsContact C-N 3.31Å; V161-L163 PolarHBondContact O-N 3.42Å; V161-L164 PolarHBondContact O-N 3.37Å; V161-D165 WeakPolarHBondContact O-CB 3.49Å; V161-D165 PolarHBondContact O-N 2.93Å; V161-L198 HydrophobicContact CG2-CB 3.59Å; V161-K199 HydrophobicContact CB-CG 4.5Å; V161-K199 HydrophobicContact CG1-CD 4.32Å; V161-K199 VanDerWaalsContact CG1-CE 3.42Å; V161-K199 HydrophobicContact CG1-CG 3.82Å; V161-K199 HydrophobicContact CG2-CB 4.5Å; V161-K199 HydrophobicContact CG2-CG 3.77Å
162	G	96.3	Very high	92.4	Very high	44 Å²	44	60.4 Å²	60.4	45%	0.454	31%	0.314	S	S	.	.	H	α-helix	trans	-59.5	-40.4	179.7	0	0	0	0	0	113	E158 E159 A166	E158-G162 PolarHBondContact O-N 3.34Å; E159-G162 PolarHBondContact O-N 3.13Å; G162-A166 WeakPolarHBondContact O-CB 3.33Å; G162-A166 PolarHBondContact O-N 3.39Å; G162-A166 VanDerWaalsContact O-N 3.11Å
163	L	96.3	Very high	92.3	Very high	69 Å²	69	59.1 Å²	59.1	36%	0.361	32%	0.317	S	S	.	.	H	α-helix	trans	-65.7	-43.7	175.8	-67.6	168.4	0	0	0	112.1	F142 K145 E159 L160 V161 A166 I167	F142-L163 HydrophobicContact CD2-CB 4.33Å; F142-L163 HydrophobicContact CE2-CB 4.08Å; K145-L163 HydrophobicContact CD-CD1 4.15Å; E159-L163 HydrophobicContact CG-CD1 4.35Å; E159-L163 WeakPolarHBondContact O-CG 3.28Å; E159-L163 PolarHBondContact O-N 2.86Å; L160-L163 PolarHBondContact O-N 3.4Å; V161-L163 VanDerWaalsContact C-N 3.31Å; V161-L163 PolarHBondContact O-N 3.42Å; L163-A166 PolarHBondContact O-N 3.04Å; L163-I167 WeakPolarHBondContact O-CG1 3.49Å; L163-I167 PolarHBondContact O-N 2.92Å
164	L	96.1	Very high	92.7	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-68.9	-41.4	-179.8	-168.1	62.7	0	0	0	112.2	F142 L160 V161 A166 I167 L168 V191 L194 C195 L198	F142-L164 HydrophobicContact CD1-CD1 4.22Å; F142-L164 HydrophobicContact CE1-CD1 4.16Å; F142-L164 HydrophobicContact CE1-CD2 4.42Å; F142-L164 HydrophobicContact CE2-CB 4.15Å; F142-L164 HydrophobicContact CG-CD1 4.48Å; F142-L164 HydrophobicContact CZ-CB 4.03Å; F142-L164 HydrophobicContact CZ-CD1 4.39Å; F142-L164 HydrophobicContact CZ-CD2 4.47Å; L160-L164 WeakPolarHBondContact O-CB 3.39Å; L160-L164 PolarHBondContact O-N 3.34Å; V161-L164 PolarHBondContact O-N 3.37Å; L164-A166 VanDerWaalsContact C-N 3.26Å; L164-A166 PolarHBondContact O-N 3.45Å; L164-I167 PolarHBondContact O-N 2.81Å; L164-L168 PolarHBondContact O-N 3.35Å; L164-V191 HydrophobicContact CD1-CG1 3.78Å; L164-V191 HydrophobicContact CD2-CG1 4.17Å; L164-V191 HydrophobicContact CG-CG1 3.91Å; L164-L194 HydrophobicContact CD1-CD2 4.26Å; L164-L194 HydrophobicContact CD2-CB 4.08Å; L164-L194 HydrophobicContact CD2-CD2 3.88Å; L164-L194 HydrophobicContact CD2-CG 3.78Å; L164-C195 HydrophobicContact CD2-CB 3.83Å; L164-L198 HydrophobicContact CD2-CD1 4.2Å
165	D	94.9	Very high	93.1	Very high	57 Å²	57	56.7 Å²	56.7	31%	0.305	30%	0.303	S	S	.	.	H	α-helix	trans	-64	-33	176.7	-79.3	-14.5	0	0	0	111	V161 L168 K169 C195 K199	V161-D165 WeakPolarHBondContact O-CB 3.49Å; V161-D165 PolarHBondContact O-N 2.93Å; D165-L168 PolarHBondContact O-N 2.63Å; D165-K169 WeakPolarHBondContact O-CB 3.42Å; D165-K169 PolarHBondContact O-N 3.23Å; D165-C195 PolarHBondContact OD1-SG 2.92Å; D165-K199 IonicContact OD1-NZ 3.2Å; D165-K199 PolarHBondContact OD1-NZ 3.25Å; D165-K199 WeakPolarHBondContact OD2-CE 3.48Å; D165-K199 IonicContact OD2-NZ 3.98Å; D165-K199 PolarHBondContact OD2-NZ 3.18Å
166	A	95.2	Very high	93.2	Very high	61 Å²	61	61.6 Å²	61.6	50%	0.504	33%	0.325	S	S	.	.	H	α-helix	trans	-65.6	-43.4	173	0	0	0	0	0	112.6	G162 L163 L164 K170	G162-A166 WeakPolarHBondContact O-CB 3.33Å; G162-A166 PolarHBondContact O-N 3.39Å; G162-A166 VanDerWaalsContact O-N 3.11Å; L163-A166 PolarHBondContact O-N 3.04Å; L164-A166 VanDerWaalsContact C-N 3.26Å; L164-A166 PolarHBondContact O-N 3.45Å; A166-K170 WeakPolarHBondContact O-CB 3.39Å; A166-K170 PolarHBondContact O-N 3.47Å; A166-K170 VanDerWaalsContact O-N 3.13Å
167	I	94	Very high	93.4	Very high	16 Å²	16	59.8 Å²	59.8	8%	0.082	31%	0.314	C	S	.	.	H	α-helix	trans	-62.2	-47.6	175.1	-63.2	167.7	0	0	0	109.9	E138 I139 F142 L163 L164 K169 K170 Y171	E138-I167 HydrophobicContact CB-CD1 4.09Å; E138-I167 HydrophobicContact CB-CG1 4.25Å; E138-I167 HydrophobicContact CB-CG2 4.29Å; I139-I167 HydrophobicContact CG1-CG2 4.08Å; F142-I167 HydrophobicContact CB-CD1 4.39Å; L163-I167 WeakPolarHBondContact O-CG1 3.49Å; L163-I167 PolarHBondContact O-N 2.92Å; L164-I167 PolarHBondContact O-N 2.81Å; I167-K169 PolarHBondContact O-N 2.82Å; I167-K170 WeakPolarHBondContact O-CB 3.47Å; I167-K170 PolarHBondContact O-N 2.98Å; I167-Y171 HydrophobicContact CG2-CD2 4.01Å; I167-Y171 HydrophobicContact CG2-CE2 4.34Å; I167-Y171 WeakPolarHBondContact O-CD2 3.19Å; I167-Y171 PolarHBondContact O-N 3.2Å
168	L	91.5	Very high	93.5	Very high	21 Å²	21	64.5 Å²	64.5	11%	0.11	35%	0.345	C	S	.	.	H	α-helix	trans	-56.3	-51.6	177.6	-83	175.3	0	0	0	112	L164 D165 K170 Y171 S172 F187 V191	L164-L168 PolarHBondContact O-N 3.35Å; D165-L168 PolarHBondContact O-N 2.63Å; L168-K170 PolarHBondContact O-N 3.18Å; L168-Y171 PolarHBondContact O-N 3.3Å; L168-Y171 VanDerWaalsContact O-N 3.13Å; L168-S172 VanDerWaalsContact O-CB 3.28Å; L168-S172 WeakPolarHBondContact O-CB 3.48Å; L168-S172 PolarHBondContact O-N 2.86Å; L168-F187 HydrophobicContact CD2-CE1 4.46Å; L168-V191 HydrophobicContact CD1-CG1 3.76Å; L168-V191 HydrophobicContact CD2-CB 3.88Å; L168-V191 HydrophobicContact CD2-CG1 3.31Å; L168-V191 HydrophobicContact CG-CG1 3.45Å; L168-V191 VanDerWaalsContact CG-CG1 3.45Å
169	K	92.3	Very high	93.6	Very high	178 Å²	178	58 Å²	58	77%	0.774	32%	0.315	S	S	*	.	H	α-helix	trans	-60.3	-31.3	-179.5	-174.1	176.9	179.4	-179.4	0	112.5	D165 I167	D165-K169 WeakPolarHBondContact O-CB 3.42Å; D165-K169 PolarHBondContact O-N 3.23Å; I167-K169 PolarHBondContact O-N 2.82Å
170	K	94.6	Very high	93.6	Very high	115 Å²	115	53.3 Å²	53.3	50%	0.5	29%	0.293	S	S	.	.	H	α-helix	trans	-71.6	-33.3	178.7	-176	177.2	174.6	-172.8	0	112.8	E138 A166 I167 L168	E138-K170 IonicContact OE1-NZ 3.07Å; E138-K170 PolarHBondContact OE1-NZ 3.29Å; E138-K170 IonicContact OE2-NZ 3.37Å; A166-K170 WeakPolarHBondContact O-CB 3.39Å; A166-K170 PolarHBondContact O-N 3.47Å; A166-K170 VanDerWaalsContact O-N 3.13Å; I167-K170 WeakPolarHBondContact O-CB 3.47Å; I167-K170 PolarHBondContact O-N 2.98Å; L168-K170 PolarHBondContact O-N 3.18Å
171	Y	93.2	Very high	93.6	Very high	6 Å²	6	55.7 Å²	55.7	2%	0.024	31%	0.31	C	S	.	.	H	α-helix	trans	-117.2	-12	-168.5	-67.1	-69.6	0	0	0	116	F131 Q134 A135 E138 I167 L168 S173 R174	F131-Y171 HydrophobicContact CB-CD1 4.48Å; Q134-Y171 HydrophobicContact CB-CE1 3.98Å; Q134-Y171 WeakPolarHBondContact CB-OH 3.34Å; A135-Y171 HydrophobicContact CB-CD1 3.9Å; A135-Y171 HydrophobicContact CB-CD2 3.58Å; A135-Y171 HydrophobicContact CB-CE1 4.26Å; A135-Y171 HydrophobicContact CB-CE2 3.97Å; A135-Y171 HydrophobicContact CB-CG 3.55Å; E138-Y171 WeakPolarHBondContact OE1-CE2 3.29Å; E138-Y171 PolarHBondContact OE1-OH 3.16Å; I167-Y171 HydrophobicContact CG2-CD2 4.01Å; I167-Y171 HydrophobicContact CG2-CE2 4.34Å; I167-Y171 WeakPolarHBondContact O-CD2 3.19Å; I167-Y171 PolarHBondContact O-N 3.2Å; L168-Y171 PolarHBondContact O-N 3.3Å; L168-Y171 VanDerWaalsContact O-N 3.13Å; Y171-S173 PolarHBondContact O-N 2.93Å; Y171-R174 HydrophobicContact CD1-CG 4.48Å; Y171-R174 PolarHBondContact O-N 3.44Å
172	S	83.3	Confident	93.4	Very high	70 Å²	70	56.9 Å²	56.9	49%	0.49	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-18.6	-171.4	62.3	0	0	0	0	116.2	L168	L168-S172 VanDerWaalsContact O-CB 3.28Å; L168-S172 WeakPolarHBondContact O-CB 3.48Å; L168-S172 PolarHBondContact O-N 2.86Å
173	S	87.2	Confident	93.3	Very high	82 Å²	82	54.9 Å²	54.9	57%	0.573	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.7	23.1	-179.7	59.1	0	0	0	0	113.1	Y171 H176	Y171-S173 PolarHBondContact O-N 2.93Å; S173-H176 PolarHBondContact O-CD2 3.5Å
174	R	92.9	Very high	93.1	Very high	115 Å²	115	54.5 Å²	54.5	43%	0.434	29%	0.293	S	S	.	.	S	Bend	trans	-104.9	-12.8	-171.8	-57.2	-67.4	-81.1	-171.1	-8.6	114.6	F131 Y171	F131-R174 HydrophobicContact CB-CB 3.74Å; F131-R174 HydrophobicContact CD2-CB 4Å; F131-R174 WeakPolarHBondContact CD2-O 3.27Å; F131-R174 HydrophobicContact CG-CB 3.84Å; Y171-R174 HydrophobicContact CD1-CG 4.48Å; Y171-R174 PolarHBondContact O-N 3.44Å
175	F	93.1	Very high	92.9	Very high	8 Å²	8	57.7 Å²	57.7	4%	0.035	32%	0.315	C	S	.	.			trans	-142.1	70.6	178.5	46.5	-94.3	0	0	0	112.3	Q128 F131 F132 A135 L180 E184 F187	Q128-F175 HydrophobicContact CB-CB 4.03Å; F131-F175 HydrophobicContact CB-CD1 4.36Å; F132-F175 HydrophobicContact CB-CD1 4.05Å; F132-F175 HydrophobicContact CB-CE1 4.4Å; F132-F175 HydrophobicContact CB-CG 4.24Å; F132-F175 HydrophobicContact CD2-CD2 4.34Å; F132-F175 HydrophobicContact CD2-CE1 4.44Å; F132-F175 HydrophobicContact CD2-CE2 4.14Å; F132-F175 HydrophobicContact CD2-CZ 4.19Å; A135-F175 HydrophobicContact CB-CE1 4.34Å; F175-L180 HydrophobicContact CB-CD1 4.42Å; F175-E184 HydrophobicContact CD2-CB 4.21Å; F175-E184 HydrophobicContact CD2-CG 4.28Å; F175-E184 HydrophobicContact CE2-CB 4.34Å; F175-E184 HydrophobicContact CE2-CG 4.21Å; F175-F187 HydrophobicContact CE2-CB 4.44Å; F175-F187 HydrophobicContact CE2-CD1 4.09Å; F175-F187 HydrophobicContact CE2-CG 4.2Å; F175-F187 AromaticContact CZ-CD1 3.74Å; F175-F187 HydrophobicContact CZ-CD1 3.74Å; F175-F187 HydrophobicContact CZ-CD2 4.22Å; F175-F187 AromaticContact CZ-CE1 3.81Å; F175-F187 HydrophobicContact CZ-CE1 3.81Å; F175-F187 HydrophobicContact CZ-CE2 4.23Å; F175-F187 AromaticContact CZ-CG 3.97Å; F175-F187 HydrophobicContact CZ-CG 3.97Å; F175-F187 HydrophobicContact CZ-CZ 4.05Å
176	H	92.8	Very high	92.8	Very high	114 Å²	114	55.4 Å²	55.4	53%	0.528	30%	0.304	S	S	.	.			trans	-111.2	11.6	-170.7	59.4	69.6	0	0	0	114.3	S173	S173-H176 PolarHBondContact O-CD2 3.5Å
177	H	94.7	Very high	92.7	Very high	35 Å²	35	52.6 Å²	52.6	16%	0.162	28%	0.28	C	S	.	.			trans	-62.2	137.8	177.3	-170.7	-85.4	0	0	0	110.3	H124 L125 I179 L180 S181	H124-H177 AromaticContact CD2-CD2 3.63Å; H124-H177 AromaticContact NE2-CD2 3.98Å; L125-H177 HydrophobicContact CD2-CB 3.88Å; L125-H177 WeakPolarHBondContact CD2-ND1 3.44Å; H177-I179 VanDerWaalsContact C-N 3.29Å; H177-I179 WeakPolarHBondContact ND1-CB 3.34Å; H177-I179 PolarHBondContact ND1-N 3.26Å; H177-I179 VanDerWaalsContact ND1-N 3.19Å; H177-I179 PolarHBondContact O-N 3.42Å; H177-I179 VanDerWaalsContact O-N 3.16Å; H177-L180 HydrophobicContact CB-CD1 4.23Å; H177-L180 HydrophobicContact CB-CG 4.17Å; H177-L180 WeakPolarHBondContact O-CA 3.33Å; H177-L180 WeakPolarHBondContact O-CB 3.39Å; H177-L180 PolarHBondContact O-N 3.08Å; H177-S181 PolarHBondContact O-N 3.22Å
178	P	94.5	Very high	92.7	Very high	103 Å²	103	54.6 Å²	54.6	67%	0.669	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-53.4	-40.1	-176.6	-30.1	36	0	0	0	114.9	L180 S181	P178-L180 PolarHBondContact O-N 2.93Å; P178-S181 WeakPolarHBondContact O-CB 3.49Å; P178-S181 PolarHBondContact O-N 3.2Å
179	I	95.3	Very high	92.8	Very high	9 Å²	9	55.1 Å²	55.1	5%	0.046	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-59.2	-30.1	175	-64.7	174.5	0	0	0	112.3	Q15 L18 E19 F22 L121 L125 H177 P182	Q15-I179 HydrophobicContact CG-CD1 3.91Å; L18-I179 HydrophobicContact CB-CG2 3.92Å; E19-I179 HydrophobicContact CG-CG1 4.01Å; E19-I179 HydrophobicContact CG-CG2 4.43Å; F22-I179 VanDerWaalsContact CB-O 3.29Å; F22-I179 WeakPolarHBondContact CB-O 3.37Å; F22-I179 HydrophobicContact CD2-CG2 3.44Å; F22-I179 VanDerWaalsContact CD2-CG2 3.44Å; F22-I179 HydrophobicContact CE2-CG2 3.85Å; F22-I179 HydrophobicContact CG-CG2 4.45Å; L121-I179 HydrophobicContact CD1-CD1 4.3Å; L121-I179 HydrophobicContact CD2-CD1 4.43Å; L125-I179 HydrophobicContact CD1-CD1 4.36Å; L125-I179 HydrophobicContact CD2-CB 4.43Å; H177-I179 VanDerWaalsContact C-N 3.29Å; H177-I179 WeakPolarHBondContact ND1-CB 3.34Å; H177-I179 PolarHBondContact ND1-N 3.26Å; H177-I179 VanDerWaalsContact ND1-N 3.19Å; H177-I179 PolarHBondContact O-N 3.42Å; H177-I179 VanDerWaalsContact O-N 3.16Å; I179-P182 WeakPolarHBondContact O-CD 3.45Å
180	L	95.3	Very high	93	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-87.1	-3.3	178.1	-57.1	-177.2	0	0	0	113.1	F22 L125 Q128 L129 F175 H177 P178 P182 L183 E184	F22-L180 HydrophobicContact CD1-CD2 3.9Å; F22-L180 HydrophobicContact CD2-CD2 4.03Å; F22-L180 HydrophobicContact CE1-CD2 3.4Å; F22-L180 VanDerWaalsContact CE1-CD2 3.4Å; F22-L180 HydrophobicContact CE2-CD2 3.55Å; F22-L180 HydrophobicContact CG-CD2 4.2Å; F22-L180 HydrophobicContact CZ-CD2 3.22Å; L125-L180 HydrophobicContact CD2-CD1 4.18Å; L125-L180 HydrophobicContact CD2-CD2 4.2Å; L125-L180 HydrophobicContact CD2-CG 3.92Å; Q128-L180 HydrophobicContact CB-CD1 3.63Å; L129-L180 HydrophobicContact CD2-CD2 3.98Å; L129-L180 HydrophobicContact CG-CD2 4.43Å; F175-L180 HydrophobicContact CB-CD1 4.42Å; H177-L180 HydrophobicContact CB-CD1 4.23Å; H177-L180 HydrophobicContact CB-CG 4.17Å; H177-L180 WeakPolarHBondContact O-CA 3.33Å; H177-L180 WeakPolarHBondContact O-CB 3.39Å; H177-L180 PolarHBondContact O-N 3.08Å; P178-L180 PolarHBondContact O-N 2.93Å; L180-P182 VanDerWaalsContact C-CD 3.41Å; L180-P182 VanDerWaalsContact C-N 3.31Å; L180-L183 WeakPolarHBondContact O-CA 3.18Å; L180-L183 VanDerWaalsContact O-CB 3.25Å; L180-L183 WeakPolarHBondContact O-CB 3.44Å; L180-L183 PolarHBondContact O-N 3.01Å; L180-E184 PolarHBondContact O-N 3.49Å
181	S	94.7	Very high	93	Very high	51 Å²	51	41.2 Å²	41.2	36%	0.357	23%	0.231	S	C	.	.	H	α-helix	trans	-52.7	-38.3	-178.3	-177.9	0	0	0	0	114.3	H177 P178 L183 E184 S185	H177-S181 PolarHBondContact O-N 3.22Å; P178-S181 WeakPolarHBondContact O-CB 3.49Å; P178-S181 PolarHBondContact O-N 3.2Å; S181-L183 VanDerWaalsContact C-N 3.32Å; S181-L183 PolarHBondContact O-N 2.98Å; S181-E184 PolarHBondContact O-N 3.2Å; S181-S185 VanDerWaalsContact O-CB 3.25Å; S181-S185 WeakPolarHBondContact O-CB 3.34Å; S181-S185 PolarHBondContact O-N 2.92Å; S181-S185 PolarHBondContact O-OG 3.42Å
182	P	93.8	Very high	93.1	Very high	40 Å²	40	42.4 Å²	42.4	26%	0.26	24%	0.238	S	C	.	.	H	α-helix	trans	-62.9	-36.8	173.9	-24.8	35.9	0	0	0	113.6	F22 G26 I179 L180 S186	F22-P182 HydrophobicContact CB-CG 4.32Å; F22-P182 VanDerWaalsContact O-CB 3.22Å; F22-P182 WeakPolarHBondContact O-CB 3.3Å; G26-P182 WeakPolarHBondContact CA-O 3.32Å; I179-P182 WeakPolarHBondContact O-CD 3.45Å; L180-P182 VanDerWaalsContact C-CD 3.41Å; L180-P182 VanDerWaalsContact C-N 3.31Å; P182-S186 PolarHBondContact O-N 2.97Å
183	L	92.8	Very high	93.8	Very high	3 Å²	3	39 Å²	39	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-69.8	-48.4	177.8	-174.3	70.7	0	0	0	110.6	F22 L25 L129 F132 L180 S181 S185 S186 F187	F22-L183 HydrophobicContact CD1-CB 4.29Å; F22-L183 HydrophobicContact CE1-CD2 4.29Å; L25-L183 HydrophobicContact CD2-CD1 3.57Å; L25-L183 HydrophobicContact CG-CD1 4.14Å; L129-L183 HydrophobicContact CD2-CD2 3.85Å; F132-L183 HydrophobicContact CB-CD2 4.37Å; F132-L183 HydrophobicContact CD1-CD2 3.85Å; F132-L183 HydrophobicContact CD1-CG 4.47Å; F132-L183 HydrophobicContact CD2-CD1 4.42Å; F132-L183 HydrophobicContact CD2-CD2 3.69Å; F132-L183 HydrophobicContact CD2-CG 3.84Å; F132-L183 HydrophobicContact CE1-CD1 3.83Å; F132-L183 HydrophobicContact CE1-CD2 4.03Å; F132-L183 HydrophobicContact CE1-CG 4.22Å; F132-L183 HydrophobicContact CE2-CD1 3.71Å; F132-L183 HydrophobicContact CE2-CD2 3.86Å; F132-L183 HydrophobicContact CE2-CG 3.52Å; F132-L183 HydrophobicContact CG-CD2 3.68Å; F132-L183 HydrophobicContact CG-CG 4.29Å; F132-L183 HydrophobicContact CZ-CD1 3.38Å; F132-L183 HydrophobicContact CZ-CD2 4.03Å; F132-L183 HydrophobicContact CZ-CG 3.73Å; L180-L183 WeakPolarHBondContact O-CA 3.18Å; L180-L183 VanDerWaalsContact O-CB 3.25Å; L180-L183 WeakPolarHBondContact O-CB 3.44Å; L180-L183 PolarHBondContact O-N 3.01Å; S181-L183 VanDerWaalsContact C-N 3.32Å; S181-L183 PolarHBondContact O-N 2.98Å; L183-S185 VanDerWaalsContact C-N 3.35Å; L183-S185 PolarHBondContact O-N 3.42Å; L183-S186 PolarHBondContact O-N 3.43Å; L183-F187 WeakPolarHBondContact O-CB 3.33Å; L183-F187 PolarHBondContact O-N 3.47Å
184	E	93.6	Very high	94.3	Very high	60 Å²	60	35.1 Å²	35.1	28%	0.28	19%	0.187	S	C	.	.	H	α-helix	trans	-57.6	-46.9	175.9	-175.9	-166.1	-173.3	0	0	111.1	F175 L180 S181 S186 F187 Q188	F175-E184 HydrophobicContact CD2-CB 4.21Å; F175-E184 HydrophobicContact CD2-CG 4.28Å; F175-E184 HydrophobicContact CE2-CB 4.34Å; F175-E184 HydrophobicContact CE2-CG 4.21Å; L180-E184 PolarHBondContact O-N 3.49Å; S181-E184 PolarHBondContact O-N 3.2Å; E184-S186 VanDerWaalsContact C-N 3.33Å; E184-S186 PolarHBondContact O-N 3.21Å; E184-F187 WeakPolarHBondContact O-CB 3.35Å; E184-F187 PolarHBondContact O-N 3.32Å; E184-Q188 WeakPolarHBondContact O-CB 3.43Å; E184-Q188 PolarHBondContact O-N 3.48Å
185	S	92.3	Very high	94.5	Very high	68 Å²	68	30 Å²	30	48%	0.476	17%	0.169	S	C	.	.	H	α-helix	trans	-61	-41.1	179.4	-63.2	0	0	0	0	112.3	S181 L183 L189	S181-S185 VanDerWaalsContact O-CB 3.25Å; S181-S185 WeakPolarHBondContact O-CB 3.34Å; S181-S185 PolarHBondContact O-N 2.92Å; S181-S185 PolarHBondContact O-OG 3.42Å; L183-S185 VanDerWaalsContact C-N 3.35Å; L183-S185 PolarHBondContact O-N 3.42Å; S185-L189 VanDerWaalsContact O-CB 3.26Å; S185-L189 WeakPolarHBondContact O-CB 3.31Å; S185-L189 PolarHBondContact O-N 3.42Å
186	S	91.7	Very high	94.7	Very high	8 Å²	8	31.3 Å²	31.3	6%	0.056	18%	0.175	C	C	.	.	H	α-helix	trans	-66.3	-45.4	177	-177.6	0	0	0	0	111.8	F28 P182 L183 E184 L189 E190	F28-S186 WeakPolarHBondContact CE1-OG 3.42Å; F28-S186 WeakPolarHBondContact CZ-OG 3.15Å; P182-S186 PolarHBondContact O-N 2.97Å; L183-S186 PolarHBondContact O-N 3.43Å; E184-S186 VanDerWaalsContact C-N 3.33Å; E184-S186 PolarHBondContact O-N 3.21Å; S186-L189 PolarHBondContact O-N 2.97Å; S186-E190 PolarHBondContact O-N 3.5Å; S186-E190 VanDerWaalsContact O-N 3.11Å
187	F	93.4	Very high	94.9	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	15%	0.15	C	C	.	.	H	α-helix	trans	-58.7	-50.4	174.6	177.9	-86.5	0	0	0	111.8	F132 A135 I139 L168 F175 L183 E184 L189 E190 V191	F132-F187 HydrophobicContact CD2-CD2 4.35Å; F132-F187 HydrophobicContact CE2-CB 4.17Å; F132-F187 AromaticContact CE2-CD2 3.96Å; F132-F187 HydrophobicContact CE2-CD2 3.96Å; F132-F187 HydrophobicContact CE2-CG 4.43Å; A135-F187 HydrophobicContact CB-CE2 3.7Å; A135-F187 HydrophobicContact CB-CZ 3.88Å; I139-F187 HydrophobicContact CD1-CD2 4.05Å; I139-F187 HydrophobicContact CD1-CE2 3.21Å; I139-F187 HydrophobicContact CD1-CZ 3.58Å; L168-F187 HydrophobicContact CD2-CE1 4.46Å; F175-F187 HydrophobicContact CE2-CB 4.44Å; F175-F187 HydrophobicContact CE2-CD1 4.09Å; F175-F187 HydrophobicContact CE2-CG 4.2Å; F175-F187 AromaticContact CZ-CD1 3.74Å; F175-F187 HydrophobicContact CZ-CD1 3.74Å; F175-F187 HydrophobicContact CZ-CD2 4.22Å; F175-F187 AromaticContact CZ-CE1 3.81Å; F175-F187 HydrophobicContact CZ-CE1 3.81Å; F175-F187 HydrophobicContact CZ-CE2 4.23Å; F175-F187 AromaticContact CZ-CG 3.97Å; F175-F187 HydrophobicContact CZ-CG 3.97Å; F175-F187 HydrophobicContact CZ-CZ 4.05Å; L183-F187 WeakPolarHBondContact O-CB 3.33Å; L183-F187 PolarHBondContact O-N 3.47Å; E184-F187 WeakPolarHBondContact O-CB 3.35Å; E184-F187 PolarHBondContact O-N 3.32Å; F187-L189 VanDerWaalsContact C-N 3.34Å; F187-L189 PolarHBondContact O-N 3.29Å; F187-E190 PolarHBondContact O-N 2.93Å; F187-V191 HydrophobicContact CD1-CG2 4.38Å; F187-V191 HydrophobicContact CE1-CG2 4.11Å; F187-V191 HydrophobicContact CE2-CG2 4.4Å; F187-V191 HydrophobicContact CZ-CG2 4.12Å; F187-V191 WeakPolarHBondContact O-CG2 3.5Å; F187-V191 PolarHBondContact O-N 3.32Å
188	Q	92.9	Very high	95.1	Very high	58 Å²	58	24.2 Å²	24.2	27%	0.271	14%	0.142	S	C	.	.	H	α-helix	trans	-63.7	-41.4	-177.9	-167.8	62.9	44	0	0	111.2	E184 E190 D192	E184-Q188 WeakPolarHBondContact O-CB 3.43Å; E184-Q188 PolarHBondContact O-N 3.48Å; Q188-E190 PolarHBondContact O-N 3.18Å; Q188-D192 WeakPolarHBondContact CG-OD2 3.36Å; Q188-D192 PolarHBondContact NE2-OD1 3.5Å; Q188-D192 PolarHBondContact NE2-OD2 2.87Å; Q188-D192 WeakPolarHBondContact O-CB 3.48Å; Q188-D192 PolarHBondContact O-N 3.48Å
189	L	94.6	Very high	95.2	Very high	33 Å²	33	22.1 Å²	22.1	17%	0.173	12%	0.123	C	C	.	.	H	α-helix	trans	-57.7	-50.3	175.6	173.8	64.8	0	0	0	111.9	S185 S186 F187 V193 K222 W226 F255	S185-L189 VanDerWaalsContact O-CB 3.26Å; S185-L189 WeakPolarHBondContact O-CB 3.31Å; S185-L189 PolarHBondContact O-N 3.42Å; S186-L189 PolarHBondContact O-N 2.97Å; F187-L189 VanDerWaalsContact C-N 3.34Å; F187-L189 PolarHBondContact O-N 3.29Å; L189-V193 HydrophobicContact CD1-CG2 4.03Å; L189-V193 WeakPolarHBondContact O-CB 3.21Å; L189-V193 WeakPolarHBondContact O-CG2 3.23Å; L189-V193 PolarHBondContact O-N 3.33Å; L189-K222 HydrophobicContact CD1-CB 3.89Å; L189-W226 HydrophobicContact CD2-CB 3.75Å; L189-W226 HydrophobicContact CD2-CG 3.64Å; L189-F255 HydrophobicContact CD2-CE1 3.71Å; L189-F255 HydrophobicContact CD2-CZ 4.04Å; L189-F255 HydrophobicContact CG-CE1 4.02Å; L189-F255 HydrophobicContact CG-CZ 4.31Å
190	E	95.6	Very high	95.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.5	-54	179.8	175.2	-174.6	150.5	0	0	111.4	Y68 H69 R136 Y143 S186 F187 Q188 V193 L194 L254 F255	Y68-E190 WeakPolarHBondContact CE1-OE1 3.48Å; Y68-E190 PolarHBondContact OH-OE1 2.81Å; H69-E190 IonicContact NE2-OE2 3.47Å; R136-E190 IonicContact CZ-OE2 3.38Å; R136-E190 VanDerWaalsContact NH1-CD 3.3Å; R136-E190 IonicContact NH1-OE1 3.78Å; R136-E190 PolarHBondContact NH1-OE1 3.38Å; R136-E190 IonicContact NH1-OE2 2.91Å; R136-E190 PolarHBondContact NH1-OE2 3.15Å; R136-E190 IonicContact NH2-OE2 3.83Å; Y143-E190 WeakPolarHBondContact CE2-OE1 3.48Å; Y143-E190 PolarHBondContact OH-OE1 3.5Å; S186-E190 PolarHBondContact O-N 3.5Å; S186-E190 VanDerWaalsContact O-N 3.11Å; F187-E190 PolarHBondContact O-N 2.93Å; Q188-E190 PolarHBondContact O-N 3.18Å; E190-V193 PolarHBondContact O-N 2.95Å; E190-L194 WeakPolarHBondContact O-CB 3.46Å; E190-L194 PolarHBondContact O-N 3.4Å; E190-L254 VanDerWaalsContact CD-CD2 3.42Å; E190-L254 HydrophobicContact CG-CD2 3.89Å; E190-L254 WeakPolarHBondContact OE1-CD2 3.39Å; E190-F255 HydrophobicContact CB-CZ 4.35Å
191	V	95	Very high	95.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-72	-37.2	-172.8	-173.6	0	0	0	0	111.3	I139 L164 L168 F187 L194 C195	I139-V191 HydrophobicContact CD1-CG2 3.54Å; I139-V191 HydrophobicContact CG1-CG2 4.48Å; L164-V191 HydrophobicContact CD1-CG1 3.78Å; L164-V191 HydrophobicContact CD2-CG1 4.17Å; L164-V191 HydrophobicContact CG-CG1 3.91Å; L168-V191 HydrophobicContact CD1-CG1 3.76Å; L168-V191 HydrophobicContact CD2-CB 3.88Å; L168-V191 HydrophobicContact CD2-CG1 3.31Å; L168-V191 HydrophobicContact CG-CG1 3.45Å; L168-V191 VanDerWaalsContact CG-CG1 3.45Å; F187-V191 HydrophobicContact CD1-CG2 4.38Å; F187-V191 HydrophobicContact CE1-CG2 4.11Å; F187-V191 HydrophobicContact CE2-CG2 4.4Å; F187-V191 HydrophobicContact CZ-CG2 4.12Å; F187-V191 WeakPolarHBondContact O-CG2 3.5Å; F187-V191 PolarHBondContact O-N 3.32Å; V191-L194 PolarHBondContact O-N 3.43Å; V191-C195 VanDerWaalsContact O-CB 3.25Å; V191-C195 WeakPolarHBondContact O-CB 3.43Å; V191-C195 PolarHBondContact O-N 2.88Å
192	D	95.1	Very high	95.3	Very high	31 Å²	31	20.5 Å²	20.5	17%	0.166	11%	0.112	C	C	.	.	H	α-helix	trans	-62.3	-48.8	174.4	-80.3	-21.4	0	0	0	111.7	Q188 L194 C195 H196 K222	Q188-D192 WeakPolarHBondContact CG-OD2 3.36Å; Q188-D192 PolarHBondContact NE2-OD1 3.5Å; Q188-D192 PolarHBondContact NE2-OD2 2.87Å; Q188-D192 WeakPolarHBondContact O-CB 3.48Å; Q188-D192 PolarHBondContact O-N 3.48Å; D192-L194 VanDerWaalsContact C-N 3.29Å; D192-L194 PolarHBondContact O-N 3.29Å; D192-C195 PolarHBondContact O-N 2.97Å; D192-H196 PolarHBondContact O-N 3.29Å; D192-H196 PolarHBondContact O-ND1 3.36Å; D192-K222 HydrophobicContact CB-CD 4.14Å; D192-K222 VanDerWaalsContact CB-NZ 3.32Å; D192-K222 IonicContact OD2-NZ 3.95Å; D192-K222 PolarHBondContact OD2-NZ 3.2Å
193	V	97.8	Very high	95.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.6	-45.4	179.8	168.6	0	0	0	0	109.5	L189 E190 C195 H196 L197 A219 K222 L223 L258	L189-V193 HydrophobicContact CD1-CG2 4.03Å; L189-V193 WeakPolarHBondContact O-CB 3.21Å; L189-V193 WeakPolarHBondContact O-CG2 3.23Å; L189-V193 PolarHBondContact O-N 3.33Å; E190-V193 PolarHBondContact O-N 2.95Å; V193-C195 PolarHBondContact O-N 3.39Å; V193-H196 PolarHBondContact O-N 3.45Å; V193-L197 HydrophobicContact CG1-CD1 3.85Å; V193-L197 HydrophobicContact CG1-CG 4.33Å; V193-L197 WeakPolarHBondContact O-CB 3.26Å; V193-L197 VanDerWaalsContact O-CG 3.23Å; V193-L197 WeakPolarHBondContact O-CG 3.21Å; V193-L197 PolarHBondContact O-N 3Å; V193-A219 HydrophobicContact CG1-CB 4.46Å; V193-K222 HydrophobicContact CG2-CB 3.73Å; V193-K222 HydrophobicContact CG2-CD 4.36Å; V193-L223 HydrophobicContact CG1-CD1 3.67Å; V193-L223 HydrophobicContact CG1-CD2 3.96Å; V193-L223 HydrophobicContact CG1-CG 3.71Å; V193-L223 HydrophobicContact CG2-CD2 4.34Å; V193-L223 HydrophobicContact CG2-CG 4.04Å; V193-L258 HydrophobicContact CG1-CB 4.28Å; V193-L258 HydrophobicContact CG1-CD1 4.15Å; V193-L258 HydrophobicContact CG1-CD2 4.22Å; V193-L258 HydrophobicContact CG1-CG 4.46Å
194	L	97.8	Very high	95.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.2	-45.9	177.3	-175.2	60.6	0	0	0	111.9	F142 Y143 M146 L164 E190 V191 D192 L197 L198 W257 L258	F142-L194 HydrophobicContact CD1-CD2 3.94Å; F142-L194 HydrophobicContact CE1-CD2 3.62Å; F142-L194 HydrophobicContact CE1-CG 4.26Å; Y143-L194 HydrophobicContact CE1-CD1 4.24Å; Y143-L194 HydrophobicContact CE1-CD2 3.66Å; M146-L194 HydrophobicContact CE-CD1 4.21Å; M146-L194 HydrophobicContact SD-CD1 4.23Å; L164-L194 HydrophobicContact CD1-CD2 4.26Å; L164-L194 HydrophobicContact CD2-CB 4.08Å; L164-L194 HydrophobicContact CD2-CD2 3.88Å; L164-L194 HydrophobicContact CD2-CG 3.78Å; E190-L194 WeakPolarHBondContact O-CB 3.46Å; E190-L194 PolarHBondContact O-N 3.4Å; V191-L194 PolarHBondContact O-N 3.43Å; D192-L194 VanDerWaalsContact C-N 3.29Å; D192-L194 PolarHBondContact O-N 3.29Å; L194-L197 PolarHBondContact O-N 3.45Å; L194-L198 HydrophobicContact CD1-CD1 4.23Å; L194-L198 HydrophobicContact CD1-CG 4.39Å; L194-L198 HydrophobicContact CG-CD1 4.09Å; L194-L198 WeakPolarHBondContact O-CG 3.44Å; L194-L198 PolarHBondContact O-N 2.72Å; L194-W257 HydrophobicContact CD1-CH2 4.33Å; L194-W257 HydrophobicContact CD1-CZ3 4.03Å; L194-L258 HydrophobicContact CB-CD2 4.34Å; L194-L258 HydrophobicContact CD1-CD2 4.13Å
195	C	97.2	Very high	95.2	Very high	7 Å²	7	18.2 Å²	18.2	5%	0.047	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-47.9	178.3	-176.3	0	0	0	0	111.8	L164 D165 V191 D192 V193 L197 L198 K199	L164-C195 HydrophobicContact CD2-CB 3.83Å; D165-C195 PolarHBondContact OD1-SG 2.92Å; V191-C195 VanDerWaalsContact O-CB 3.25Å; V191-C195 WeakPolarHBondContact O-CB 3.43Å; V191-C195 PolarHBondContact O-N 2.88Å; D192-C195 PolarHBondContact O-N 2.97Å; V193-C195 PolarHBondContact O-N 3.39Å; C195-L197 VanDerWaalsContact C-N 3.33Å; C195-L197 PolarHBondContact O-N 3.06Å; C195-L198 PolarHBondContact O-N 3.11Å; C195-K199 WeakPolarHBondContact O-CB 3.48Å; C195-K199 WeakPolarHBondContact O-CG 3.34Å; C195-K199 PolarHBondContact O-N 3.45Å; C195-K199 WeakPolarHBondContact SG-CE 3.35Å; C195-K199 PolarHBondContact SG-NZ 3.46Å
196	H	97.9	Very high	95.1	Very high	36 Å²	36	18.3 Å²	18.3	17%	0.167	9%	0.092	C	C	.	.	H	α-helix	trans	-60.4	-41.4	176	-72.6	102.8	0	0	0	112	D192 V193 K199 A200 N215 S218 A219	D192-H196 PolarHBondContact O-N 3.29Å; D192-H196 PolarHBondContact O-ND1 3.36Å; V193-H196 PolarHBondContact O-N 3.45Å; H196-K199 PolarHBondContact O-N 3.35Å; H196-A200 VanDerWaalsContact O-CB 3.31Å; H196-A200 WeakPolarHBondContact O-CB 3.41Å; H196-A200 PolarHBondContact O-N 3.39Å; H196-N215 PolarHBondContact CD2-OD1 2.69Å; H196-N215 VanDerWaalsContact CD2-OD1 3.32Å; H196-N215 WeakPolarHBondContact O-CB 3.3Å; H196-S218 WeakPolarHBondContact CD2-CB 3.19Å; H196-S218 WeakPolarHBondContact NE2-CB 3.38Å; H196-A219 HydrophobicContact CB-CB 3.88Å
197	L	97.9	Very high	95.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.5	-41.4	178.6	-67.9	175.2	0	0	0	112.2	V193 L194 C195 A200 Q201 L216 A219 L258 L261 K262 L265	V193-L197 HydrophobicContact CG1-CD1 3.85Å; V193-L197 HydrophobicContact CG1-CG 4.33Å; V193-L197 WeakPolarHBondContact O-CB 3.26Å; V193-L197 VanDerWaalsContact O-CG 3.23Å; V193-L197 WeakPolarHBondContact O-CG 3.21Å; V193-L197 PolarHBondContact O-N 3Å; L194-L197 PolarHBondContact O-N 3.45Å; C195-L197 VanDerWaalsContact C-N 3.33Å; C195-L197 PolarHBondContact O-N 3.06Å; L197-A200 PolarHBondContact O-N 2.88Å; L197-Q201 WeakPolarHBondContact O-CB 3.4Å; L197-Q201 PolarHBondContact O-N 2.94Å; L197-L216 HydrophobicContact CD2-CD2 4.45Å; L197-A219 HydrophobicContact CD2-CB 3.62Å; L197-A219 HydrophobicContact CG-CB 3.87Å; L197-L258 HydrophobicContact CD1-CD2 4.18Å; L197-L261 HydrophobicContact CB-CD2 3.92Å; L197-L261 HydrophobicContact CB-CG 4.37Å; L197-L261 HydrophobicContact CD1-CB 4.3Å; L197-L261 HydrophobicContact CD1-CD2 3.94Å; L197-L261 HydrophobicContact CD1-CG 4.14Å; L197-K262 HydrophobicContact CD1-CB 4.26Å; L197-K262 HydrophobicContact CD2-CB 3.63Å; L197-K262 HydrophobicContact CD2-CG 3.85Å; L197-L265 HydrophobicContact CB-CD1 4.05Å; L197-L265 HydrophobicContact CD2-CD1 4.1Å; L197-L265 WeakPolarHBondContact O-CD1 3.29Å
198	L	97.4	Very high	94.9	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-68.8	-40.3	176.6	-67.9	172.4	0	0	0	112.1	F142 M146 L160 V161 L164 L194 C195 A200 Q201 A202 F436	F142-L198 HydrophobicContact CE1-CD1 3.95Å; F142-L198 HydrophobicContact CZ-CD1 3.61Å; M146-L198 HydrophobicContact CE-CD2 3.96Å; L160-L198 HydrophobicContact CB-CD1 4.12Å; L160-L198 HydrophobicContact CB-CD2 4.4Å; L160-L198 HydrophobicContact CD1-CD2 4.12Å; V161-L198 HydrophobicContact CG2-CB 3.59Å; L164-L198 HydrophobicContact CD2-CD1 4.2Å; L194-L198 HydrophobicContact CD1-CD1 4.23Å; L194-L198 HydrophobicContact CD1-CG 4.39Å; L194-L198 HydrophobicContact CG-CD1 4.09Å; L194-L198 WeakPolarHBondContact O-CG 3.44Å; L194-L198 PolarHBondContact O-N 2.72Å; C195-L198 PolarHBondContact O-N 3.11Å; L198-A200 VanDerWaalsContact C-N 3.35Å; L198-A200 PolarHBondContact O-N 3.3Å; L198-Q201 WeakPolarHBondContact O-CB 3.13Å; L198-Q201 PolarHBondContact O-N 2.99Å; L198-A202 PolarHBondContact O-N 2.92Å; L198-F436 HydrophobicContact CD2-CZ 4.38Å
199	K	97.6	Very high	94.7	Very high	59 Å²	59	20.5 Å²	20.5	26%	0.257	10%	0.1	S	C	.	.	H	α-helix	trans	-59.1	-46.2	172.2	-77.9	174.2	174.1	159.7	0	111.1	V161 D165 C195 H196 Q201 A202 Q203 N215	V161-K199 HydrophobicContact CB-CG 4.5Å; V161-K199 HydrophobicContact CG1-CD 4.32Å; V161-K199 VanDerWaalsContact CG1-CE 3.42Å; V161-K199 HydrophobicContact CG1-CG 3.82Å; V161-K199 HydrophobicContact CG2-CB 4.5Å; V161-K199 HydrophobicContact CG2-CG 3.77Å; D165-K199 IonicContact OD1-NZ 3.2Å; D165-K199 PolarHBondContact OD1-NZ 3.25Å; D165-K199 WeakPolarHBondContact OD2-CE 3.48Å; D165-K199 IonicContact OD2-NZ 3.98Å; D165-K199 PolarHBondContact OD2-NZ 3.18Å; C195-K199 WeakPolarHBondContact O-CB 3.48Å; C195-K199 WeakPolarHBondContact O-CG 3.34Å; C195-K199 PolarHBondContact O-N 3.45Å; C195-K199 WeakPolarHBondContact SG-CE 3.35Å; C195-K199 PolarHBondContact SG-NZ 3.46Å; H196-K199 PolarHBondContact O-N 3.35Å; K199-Q201 PolarHBondContact O-N 3.45Å; K199-A202 PolarHBondContact O-N 3.32Å; K199-Q203 WeakPolarHBondContact O-CB 3.4Å; K199-Q203 VanDerWaalsContact O-CD 3.24Å; K199-Q203 WeakPolarHBondContact O-CG 3.28Å; K199-Q203 PolarHBondContact O-N 2.85Å; K199-Q203 PolarHBondContact O-OE1 3.27Å; K199-N215 HydrophobicContact CB-CB 4.44Å
200	A	96.8	Very high	94.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.5	-43.8	174.3	0	0	0	0	0	112	H196 L197 L198 A202 Q203 V204 N215 L216	H196-A200 VanDerWaalsContact O-CB 3.31Å; H196-A200 WeakPolarHBondContact O-CB 3.41Å; H196-A200 PolarHBondContact O-N 3.39Å; L197-A200 PolarHBondContact O-N 2.88Å; L198-A200 VanDerWaalsContact C-N 3.35Å; L198-A200 PolarHBondContact O-N 3.3Å; A200-A202 PolarHBondContact O-N 2.69Å; A200-Q203 PolarHBondContact O-N 2.96Å; A200-V204 WeakPolarHBondContact O-CB 3.18Å; A200-V204 WeakPolarHBondContact O-CG2 3.25Å; A200-V204 PolarHBondContact O-N 3.49Å; A200-N215 HydrophobicContact CB-CB 3.93Å; A200-L216 HydrophobicContact CB-CD2 3.88Å; A200-L216 HydrophobicContact CB-CG 3.75Å
201	Q	95.5	Very high	94.2	Very high	8 Å²	8	24.2 Å²	24.2	4%	0.037	12%	0.122	C	C	.	.	H	α-helix	trans	-59.5	-47.8	178.1	-175.9	171.2	-47.5	0	0	112.1	A157 L197 L198 K199 V204 S205 L265	A157-Q201 HydrophobicContact CB-CB 4.06Å; A157-Q201 HydrophobicContact CB-CG 3.94Å; L197-Q201 WeakPolarHBondContact O-CB 3.4Å; L197-Q201 PolarHBondContact O-N 2.94Å; L198-Q201 WeakPolarHBondContact O-CB 3.13Å; L198-Q201 PolarHBondContact O-N 2.99Å; K199-Q201 PolarHBondContact O-N 3.45Å; Q201-V204 PolarHBondContact O-N 2.83Å; Q201-S205 PolarHBondContact O-N 2.79Å; Q201-S205 VanDerWaalsContact O-N 3.14Å; Q201-L265 HydrophobicContact CB-CD1 4.18Å; Q201-L265 HydrophobicContact CB-CD2 3.69Å; Q201-L265 HydrophobicContact CG-CD2 3.85Å
202	A	94.2	Very high	94.1	Very high	17 Å²	17	24.2 Å²	24.2	14%	0.14	12%	0.122	C	C	.	.	H	α-helix	trans	-62.3	-42.2	176.3	0	0	0	0	0	111.7	A157 E158 L198 K199 A200 V204 S205 E206	A157-A202 HydrophobicContact CB-CB 3.83Å; E158-A202 HydrophobicContact CB-CB 4.5Å; L198-A202 PolarHBondContact O-N 2.92Å; K199-A202 PolarHBondContact O-N 3.32Å; A200-A202 PolarHBondContact O-N 2.69Å; A202-V204 PolarHBondContact O-N 3.36Å; A202-S205 PolarHBondContact O-N 3.18Å; A202-S205 PolarHBondContact O-OG 3.34Å; A202-E206 WeakPolarHBondContact O-CG 3.4Å; A202-E206 PolarHBondContact O-N 3.36Å
203	Q	94.3	Very high	93.9	Very high	40 Å²	40	23.3 Å²	23.3	19%	0.187	12%	0.118	C	C	.	.	H	α-helix	trans	-70.6	-32.6	-179.2	-71.3	161.9	-5.9	0	0	112.7	K199 A200 E206 W207 K208 P211 S212 N215	K199-Q203 WeakPolarHBondContact O-CB 3.4Å; K199-Q203 VanDerWaalsContact O-CD 3.24Å; K199-Q203 WeakPolarHBondContact O-CG 3.28Å; K199-Q203 PolarHBondContact O-N 2.85Å; K199-Q203 PolarHBondContact O-OE1 3.27Å; A200-Q203 PolarHBondContact O-N 2.96Å; Q203-E206 CarbonylContact O-C 3.3Å; Q203-E206 PolarHBondContact O-N 2.72Å; Q203-W207 PolarHBondContact O-N 2.79Å; Q203-K208 HydrophobicContact CB-CB 4.15Å; Q203-K208 WeakPolarHBondContact O-CB 2.98Å; Q203-K208 PolarHBondContact O-N 3.42Å; Q203-P211 HydrophobicContact CG-CB 4.1Å; Q203-P211 PolarHBondContact OE1-O 2.99Å; Q203-S212 VanDerWaalsContact OE1-CA 3.31Å; Q203-S212 VanDerWaalsContact OE1-N 3.14Å; Q203-N215 PolarHBondContact NE2-ND2 2.97Å; Q203-N215 PolarHBondContact OE1-ND2 2.8Å
204	V	93.3	Very high	93.7	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-67.3	-40.1	173.1	171.5	0	0	0	0	110.9	A200 Q201 A202 E206 W207 K268 F269 Y272 F273	A200-V204 WeakPolarHBondContact O-CB 3.18Å; A200-V204 WeakPolarHBondContact O-CG2 3.25Å; A200-V204 PolarHBondContact O-N 3.49Å; Q201-V204 PolarHBondContact O-N 2.83Å; A202-V204 PolarHBondContact O-N 3.36Å; V204-E206 PolarHBondContact O-N 3.12Å; V204-W207 PolarHBondContact O-N 2.8Å; V204-K268 HydrophobicContact CG1-CD 4.13Å; V204-K268 HydrophobicContact CG1-CG 4.02Å; V204-F269 HydrophobicContact CG2-CB 4.36Å; V204-F269 HydrophobicContact CG2-CD2 4.24Å; V204-Y272 HydrophobicContact CG1-CD2 3.65Å; V204-Y272 HydrophobicContact CG1-CE2 4.19Å; V204-Y272 HydrophobicContact CG1-CG 4.25Å; V204-F273 HydrophobicContact CG2-CE2 4.25Å
205	S	91.2	Very high	93.6	Very high	14 Å²	14	27.7 Å²	27.7	10%	0.098	14%	0.144	C	C	.	.	H	α-helix	trans	-67.3	-24.1	177.5	62.6	0	0	0	0	113.2	Q201 A202 F402	Q201-S205 PolarHBondContact O-N 2.79Å; Q201-S205 VanDerWaalsContact O-N 3.14Å; A202-S205 PolarHBondContact O-N 3.18Å; A202-S205 PolarHBondContact O-OG 3.34Å; S205-F402 VanDerWaalsContact O-CE2 3.28Å; S205-F402 WeakPolarHBondContact O-CE2 3.08Å
206	E	90.2	Very high	93.5	Very high	70 Å²	70	27.5 Å²	27.5	33%	0.327	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	10	172.5	-61.1	-49.8	122.3	0	0	113.3	A202 Q203 V204 K208 H401	A202-E206 WeakPolarHBondContact O-CG 3.4Å; A202-E206 PolarHBondContact O-N 3.36Å; Q203-E206 CarbonylContact O-C 3.3Å; Q203-E206 PolarHBondContact O-N 2.72Å; V204-E206 PolarHBondContact O-N 3.12Å; E206-K208 VanDerWaalsContact C-N 3.25Å; E206-K208 HydrophobicContact CB-CD 4.14Å; E206-K208 HydrophobicContact CB-CG 4.09Å; E206-K208 PolarHBondContact O-N 2.84Å; E206-H401 IonicContact OE1-CD2 3.32Å; E206-H401 PolarHBondContact OE1-CD2 3.22Å; E206-H401 IonicContact OE1-NE2 3.54Å
207	W	90.5	Very high	93.1	Very high	16 Å²	16	28.8 Å²	28.8	6%	0.061	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	34.7	-179.4	-158.2	58.5	0	0	0	115.1	Q203 V204 F209 Y272 F273 F317 F325 G327 H328 V349 F402	Q203-W207 PolarHBondContact O-N 2.79Å; V204-W207 PolarHBondContact O-N 2.8Å; W207-F209 PolarHBondContact O-N 3.41Å; W207-Y272 PolarHBondContact NE1-O 3.29Å; W207-Y272 VanDerWaalsContact NE1-O 3.12Å; W207-F273 AromaticContact CD1-CD1 3.87Å; W207-F273 AromaticContact CD1-CE1 3.31Å; W207-F273 AromaticContact CD1-CZ 3.91Å; W207-F273 HydrophobicContact CD2-CE1 4.33Å; W207-F273 AromaticContact CG-CE1 3.85Å; W207-F273 HydrophobicContact CG-CE1 3.85Å; W207-F273 HydrophobicContact CG-CZ 4.44Å; W207-F273 AromaticContact NE1-CD1 3.58Å; W207-F273 AromaticContact NE1-CE1 3.49Å; W207-F317 HydrophobicContact CB-CD2 3.93Å; W207-F317 HydrophobicContact CB-CE1 4.39Å; W207-F317 HydrophobicContact CB-CE2 3.69Å; W207-F317 HydrophobicContact CB-CG 4.36Å; W207-F317 HydrophobicContact CB-CZ 3.95Å; W207-F317 HydrophobicContact CE3-CD1 4.22Å; W207-F317 HydrophobicContact CE3-CE1 4.41Å; W207-F317 HydrophobicContact CG-CD2 4.42Å; W207-F317 HydrophobicContact CG-CG 4.48Å; W207-F325 HydrophobicContact CE3-CD2 4.18Å; W207-F325 AromaticContact CE3-CE2 3.57Å; W207-F325 HydrophobicContact CE3-CE2 3.57Å; W207-F325 HydrophobicContact CE3-CZ 4.43Å; W207-F325 HydrophobicContact CH2-CE2 4.31Å; W207-F325 HydrophobicContact CH2-CZ 4.43Å; W207-F325 HydrophobicContact CZ3-CD2 4.13Å; W207-F325 AromaticContact CZ3-CE2 3.22Å; W207-F325 HydrophobicContact CZ3-CE2 3.22Å; W207-F325 AromaticContact CZ3-CZ 3.65Å; W207-F325 HydrophobicContact CZ3-CZ 3.65Å; W207-G327 VanDerWaalsContact CZ3-C 3.4Å; W207-G327 WeakPolarHBondContact CZ3-O 3.37Å; W207-H328 HydrophobicContact CH2-CB 4.13Å; W207-H328 AromaticContact CH2-CD2 3.79Å; W207-H328 AromaticContact CH2-CE1 3.75Å; W207-H328 AromaticContact CH2-CG 3.57Å; W207-H328 AromaticContact CH2-ND1 3.56Å; W207-H328 AromaticContact CH2-NE2 3.87Å; W207-H328 HydrophobicContact CZ2-CB 4.41Å; W207-H328 AromaticContact CZ2-CE1 3.71Å; W207-H328 AromaticContact CZ2-CG 3.85Å; W207-H328 AromaticContact CZ2-ND1 3.39Å; W207-H328 WeakPolarHBondContact CZ2-ND1 3.35Å; W207-V349 HydrophobicContact CD2-CG1 4.09Å; W207-V349 VanDerWaalsContact CE2-CG1 3.4Å; W207-V349 HydrophobicContact CH2-CG1 4.01Å; W207-V349 HydrophobicContact CZ2-CB 3.91Å; W207-V349 HydrophobicContact CZ2-CG1 3.36Å; W207-F402 HydrophobicContact CB-CZ 3.94Å; W207-F402 AromaticContact CD1-CZ 3.96Å; W207-F402 HydrophobicContact CG-CZ 4.22Å
208	K	89.5	Confident	93	Very high	92 Å²	92	30.4 Å²	30.4	40%	0.4	16%	0.159	S	C	.	.			trans	-89.6	93.1	178.7	-64.4	178.3	-179.1	171.8	0	111.4	Q203 E206 P211 S212	Q203-K208 HydrophobicContact CB-CB 4.15Å; Q203-K208 WeakPolarHBondContact O-CB 2.98Å; Q203-K208 PolarHBondContact O-N 3.42Å; E206-K208 VanDerWaalsContact C-N 3.25Å; E206-K208 HydrophobicContact CB-CD 4.14Å; E206-K208 HydrophobicContact CB-CG 4.09Å; E206-K208 PolarHBondContact O-N 2.84Å; K208-P211 HydrophobicContact CB-CB 4.38Å; K208-P211 HydrophobicContact CB-CG 4.13Å; K208-S212 WeakPolarHBondContact O-CB 3.42Å; K208-S212 PolarHBondContact O-N 3.14Å; K208-S212 PolarHBondContact O-OG 3.48Å
209	F	88.3	Confident	92.9	Very high	7 Å²	7	30.4 Å²	30.4	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-56.6	-65.7	-173.9	178.7	-107.6	0	0	0	114.6	W207 S212 L213 F269 F273 A276 L277 Y460	W207-F209 PolarHBondContact O-N 3.41Å; F209-S212 PolarHBondContact O-N 3.04Å; F209-S212 PolarHBondContact O-OG 3.11Å; F209-L213 HydrophobicContact CE1-CD2 4.38Å; F209-L213 HydrophobicContact CZ-CD2 4.27Å; F209-L213 WeakPolarHBondContact O-CB 3.37Å; F209-L213 PolarHBondContact O-N 3.22Å; F209-F269 AromaticContact CD2-CE2 3.99Å; F209-F269 HydrophobicContact CD2-CE2 3.99Å; F209-F269 AromaticContact CD2-CZ 3.74Å; F209-F269 HydrophobicContact CD2-CZ 3.74Å; F209-F269 HydrophobicContact CE2-CE1 4.17Å; F209-F269 HydrophobicContact CE2-CE2 4.16Å; F209-F269 AromaticContact CE2-CZ 3.43Å; F209-F269 HydrophobicContact CE2-CZ 3.43Å; F209-F269 VanDerWaalsContact CE2-CZ 3.43Å; F209-F269 HydrophobicContact CZ-CZ 4.26Å; F209-F273 HydrophobicContact CB-CD1 3.9Å; F209-F273 HydrophobicContact CB-CE1 3.75Å; F209-F273 HydrophobicContact CB-CZ 4.27Å; F209-F273 HydrophobicContact CD2-CB 3.66Å; F209-F273 AromaticContact CD2-CD1 3.66Å; F209-F273 HydrophobicContact CD2-CD1 3.66Å; F209-F273 HydrophobicContact CD2-CD2 4.01Å; F209-F273 HydrophobicContact CD2-CE1 4.26Å; F209-F273 AromaticContact CD2-CG 3.52Å; F209-F273 HydrophobicContact CD2-CG 3.52Å; F209-F273 HydrophobicContact CE2-CB 3.91Å; F209-F273 HydrophobicContact CE2-CG 4.23Å; F209-F273 HydrophobicContact CG-CD1 4.24Å; F209-F273 HydrophobicContact CG-CG 4.49Å; F209-A276 HydrophobicContact CD2-CB 4.39Å; F209-A276 HydrophobicContact CE2-CB 4.23Å; F209-L277 HydrophobicContact CE2-CD2 4.17Å; F209-L277 HydrophobicContact CE2-CG 4.46Å; F209-L277 HydrophobicContact CZ-CD2 4.32Å; F209-Y460 HydrophobicContact CE1-CE2 4.12Å; F209-Y460 AromaticContact CE1-CZ 3.76Å; F209-Y460 WeakPolarHBondContact CE1-OH 3.42Å; F209-Y460 HydrophobicContact CZ-CE2 4.11Å
210	L	87.9	Confident	92.7	Very high	53 Å²	53	28.3 Å²	28.3	28%	0.277	15%	0.151	S	C	.	.	H	α-helix	trans	-64.6	-45.8	-173.7	-179.5	67.7	0	0	0	113	S212 L213 V214 Y330	L210-S212 VanDerWaalsContact C-N 3.33Å; L210-S212 PolarHBondContact O-N 3.1Å; L210-L213 PolarHBondContact O-N 3.27Å; L210-V214 HydrophobicContact CD1-CG2 4.09Å; L210-V214 HydrophobicContact CG-CG2 4.32Å; L210-V214 WeakPolarHBondContact O-CG2 3.49Å; L210-V214 PolarHBondContact O-N 3.3Å; L210-Y330 HydrophobicContact CB-CD2 4.06Å; L210-Y330 HydrophobicContact CD2-CD2 3.37Å; L210-Y330 HydrophobicContact CD2-CE2 3.38Å; L210-Y330 HydrophobicContact CG-CD2 4.23Å
211	P	91.7	Very high	92.5	Very high	57 Å²	57	31 Å²	31	37%	0.37	17%	0.167	S	C	.	.	H	α-helix	trans	-57.3	-44.8	177.8	-27.5	37.2	0	0	0	112.8	Q203 K208 V214 N215	Q203-P211 HydrophobicContact CG-CB 4.1Å; Q203-P211 PolarHBondContact OE1-O 2.99Å; K208-P211 HydrophobicContact CB-CB 4.38Å; K208-P211 HydrophobicContact CB-CG 4.13Å; P211-V214 PolarHBondContact O-N 3.34Å; P211-N215 PolarHBondContact O-N 3.4Å; P211-N215 VanDerWaalsContact O-N 3.1Å; P211-N215 PolarHBondContact O-ND2 2.66Å
212	S	93.6	Very high	92.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.1	-38.1	179.3	57.2	0	0	0	0	112.1	Q203 K208 F209 L210 N215 L216 F269	Q203-S212 VanDerWaalsContact OE1-CA 3.31Å; Q203-S212 VanDerWaalsContact OE1-N 3.14Å; K208-S212 WeakPolarHBondContact O-CB 3.42Å; K208-S212 PolarHBondContact O-N 3.14Å; K208-S212 PolarHBondContact O-OG 3.48Å; F209-S212 PolarHBondContact O-N 3.04Å; F209-S212 PolarHBondContact O-OG 3.11Å; L210-S212 VanDerWaalsContact C-N 3.33Å; L210-S212 PolarHBondContact O-N 3.1Å; S212-N215 PolarHBondContact O-N 2.62Å; S212-L216 WeakPolarHBondContact O-CB 3.34Å; S212-L216 WeakPolarHBondContact O-CG 3.24Å; S212-L216 PolarHBondContact O-N 3.42Å; S212-F269 WeakPolarHBondContact OG-CD2 3.31Å; S212-F269 WeakPolarHBondContact OG-CE2 3.5Å
213	L	90.8	Very high	92.4	Very high	12 Å²	12	33 Å²	33	6%	0.063	17%	0.173	C	C	.	.	H	α-helix	trans	-60.2	-47.3	174.7	176.9	58.1	0	0	0	112.1	F209 L210 N215 L216 H217 F269 C457 Y460	F209-L213 HydrophobicContact CE1-CD2 4.38Å; F209-L213 HydrophobicContact CZ-CD2 4.27Å; F209-L213 WeakPolarHBondContact O-CB 3.37Å; F209-L213 PolarHBondContact O-N 3.22Å; L210-L213 PolarHBondContact O-N 3.27Å; L213-N215 PolarHBondContact O-N 3.09Å; L213-L216 PolarHBondContact O-N 2.94Å; L213-H217 WeakPolarHBondContact O-CB 3.12Å; L213-H217 PolarHBondContact O-N 2.72Å; L213-F269 HydrophobicContact CB-CE2 3.95Å; L213-F269 HydrophobicContact CB-CZ 3.79Å; L213-F269 HydrophobicContact CD1-CE1 4.27Å; L213-F269 HydrophobicContact CD1-CZ 3.99Å; L213-F269 HydrophobicContact CG-CZ 4.34Å; L213-C457 HydrophobicContact CD1-CB 3.7Å; L213-Y460 HydrophobicContact CD2-CD2 4.28Å; L213-Y460 HydrophobicContact CD2-CG 4.28Å
214	V	93.1	Very high	92.3	Very high	73 Å²	73	33 Å²	33	44%	0.442	17%	0.173	S	C	.	.	H	α-helix	trans	-61.6	-45.1	179.3	171.7	0	0	0	0	110.7	L210 P211 H217 S218	L210-V214 HydrophobicContact CD1-CG2 4.09Å; L210-V214 HydrophobicContact CG-CG2 4.32Å; L210-V214 WeakPolarHBondContact O-CG2 3.49Å; L210-V214 PolarHBondContact O-N 3.3Å; P211-V214 PolarHBondContact O-N 3.34Å; V214-H217 WeakPolarHBondContact O-CB 3.31Å; V214-H217 PolarHBondContact O-N 3.22Å; V214-S218 PolarHBondContact O-N 3.09Å; V214-S218 PolarHBondContact O-OG 3.17Å
215	N	96.3	Very high	92.2	Very high	20 Å²	20	36.4 Å²	36.4	11%	0.107	19%	0.193	C	C	.	.	H	α-helix	trans	-66.4	-42.9	178.9	-79.7	-71.1	0	0	0	112.4	H196 K199 A200 Q203 P211 S212 L213 H217 S218 A219	H196-N215 PolarHBondContact CD2-OD1 2.69Å; H196-N215 VanDerWaalsContact CD2-OD1 3.32Å; H196-N215 WeakPolarHBondContact O-CB 3.3Å; K199-N215 HydrophobicContact CB-CB 4.44Å; A200-N215 HydrophobicContact CB-CB 3.93Å; Q203-N215 PolarHBondContact NE2-ND2 2.97Å; Q203-N215 PolarHBondContact OE1-ND2 2.8Å; P211-N215 PolarHBondContact O-N 3.4Å; P211-N215 VanDerWaalsContact O-N 3.1Å; P211-N215 PolarHBondContact O-ND2 2.66Å; S212-N215 PolarHBondContact O-N 2.62Å; L213-N215 PolarHBondContact O-N 3.09Å; N215-H217 VanDerWaalsContact C-N 3.28Å; N215-H217 PolarHBondContact O-N 3.33Å; N215-S218 PolarHBondContact O-N 3.33Å; N215-A219 PolarHBondContact O-N 3.03Å
216	L	94.6	Very high	92.2	Very high	3 Å²	3	37 Å²	37	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-61	-38.9	174.2	-77.6	174.2	0	0	0	112.1	L197 A200 S212 L213 H220 L265 L266 F269	L197-L216 HydrophobicContact CD2-CD2 4.45Å; A200-L216 HydrophobicContact CB-CD2 3.88Å; A200-L216 HydrophobicContact CB-CG 3.75Å; S212-L216 WeakPolarHBondContact O-CB 3.34Å; S212-L216 WeakPolarHBondContact O-CG 3.24Å; S212-L216 PolarHBondContact O-N 3.42Å; L213-L216 PolarHBondContact O-N 2.94Å; L216-H220 VanDerWaalsContact O-CB 3.31Å; L216-H220 WeakPolarHBondContact O-CB 3.43Å; L216-H220 PolarHBondContact O-N 2.68Å; L216-L265 HydrophobicContact CD2-CB 3.83Å; L216-L266 HydrophobicContact CD1-CD1 4.17Å; L216-F269 HydrophobicContact CD1-CB 3.62Å; L216-F269 HydrophobicContact CD1-CD1 4.36Å; L216-F269 HydrophobicContact CD1-CD2 3.79Å; L216-F269 HydrophobicContact CD1-CG 3.67Å
217	H	90.9	Very high	92.2	Very high	63 Å²	63	34.7 Å²	34.7	29%	0.292	19%	0.188	S	C	.	.	H	α-helix	trans	-60.8	-54.2	174.6	176	33.5	0	0	0	111.6	L213 V214 N215 A219 H220 T221 L458	L213-H217 WeakPolarHBondContact O-CB 3.12Å; L213-H217 PolarHBondContact O-N 2.72Å; V214-H217 WeakPolarHBondContact O-CB 3.31Å; V214-H217 PolarHBondContact O-N 3.22Å; N215-H217 VanDerWaalsContact C-N 3.28Å; N215-H217 PolarHBondContact O-N 3.33Å; H217-A219 VanDerWaalsContact C-N 3.3Å; H217-A219 PolarHBondContact O-N 3.03Å; H217-H220 WeakPolarHBondContact O-CB 3.21Å; H217-H220 PolarHBondContact O-N 3.18Å; H217-T221 PolarHBondContact CE1-OG1 2.61Å; H217-T221 PolarHBondContact ND1-OG1 3.49Å; H217-T221 PolarHBondContact O-N 2.94Å; H217-T221 PolarHBondContact O-OG1 3.06Å; H217-L458 HydrophobicContact CB-CD2 3.51Å; H217-L458 WeakPolarHBondContact CD2-CD2 3.26Å; H217-L458 WeakPolarHBondContact CE1-CD1 3.47Å; H217-L458 WeakPolarHBondContact CE1-CD2 3.28Å; H217-L458 WeakPolarHBondContact ND1-CD1 3.34Å; H217-L458 WeakPolarHBondContact ND1-CD2 3.22Å; H217-L458 WeakPolarHBondContact NE2-CD2 3.44Å
218	S	94.9	Very high	92.1	Very high	34 Å²	34	39.4 Å²	39.4	24%	0.238	21%	0.211	C	C	.	.	H	α-helix	trans	-56.8	-45.1	-177.5	-66.3	0	0	0	0	111.6	H196 V214 N215 K222	H196-S218 WeakPolarHBondContact CD2-CB 3.19Å; H196-S218 WeakPolarHBondContact NE2-CB 3.38Å; V214-S218 PolarHBondContact O-N 3.09Å; V214-S218 PolarHBondContact O-OG 3.17Å; N215-S218 PolarHBondContact O-N 3.33Å; S218-K222 WeakPolarHBondContact O-CG 3.16Å; S218-K222 PolarHBondContact O-N 3.41Å; S218-K222 VanDerWaalsContact O-N 3.16Å
219	A	96	Very high	91.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-44.9	174.5	0	0	0	0	0	112.2	V193 H196 L197 N215 H217 L223	V193-A219 HydrophobicContact CG1-CB 4.46Å; H196-A219 HydrophobicContact CB-CB 3.88Å; L197-A219 HydrophobicContact CD2-CB 3.62Å; L197-A219 HydrophobicContact CG-CB 3.87Å; N215-A219 PolarHBondContact O-N 3.03Å; H217-A219 VanDerWaalsContact C-N 3.3Å; H217-A219 PolarHBondContact O-N 3.03Å; A219-L223 WeakPolarHBondContact O-CB 3.46Å; A219-L223 VanDerWaalsContact O-CG 3.32Å; A219-L223 WeakPolarHBondContact O-CG 3.18Å; A219-L223 PolarHBondContact O-N 2.69Å
220	H	93	Very high	91.8	Very high	15 Å²	15	39.5 Å²	39.5	7%	0.069	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-49.4	178.6	175.9	77.9	0	0	0	112.5	L216 H217 K222 L223 Q224 K262 V454	L216-H220 VanDerWaalsContact O-CB 3.31Å; L216-H220 WeakPolarHBondContact O-CB 3.43Å; L216-H220 PolarHBondContact O-N 2.68Å; H217-H220 WeakPolarHBondContact O-CB 3.21Å; H217-H220 PolarHBondContact O-N 3.18Å; H220-K222 PolarHBondContact O-N 2.8Å; H220-L223 PolarHBondContact O-N 2.87Å; H220-Q224 WeakPolarHBondContact CE1-CG 3.15Å; H220-Q224 WeakPolarHBondContact NE2-CG 3.07Å; H220-Q224 WeakPolarHBondContact O-CB 3.21Å; H220-Q224 VanDerWaalsContact O-CG 3.29Å; H220-Q224 WeakPolarHBondContact O-CG 3.17Å; H220-Q224 PolarHBondContact O-N 3.09Å; H220-K262 HydrophobicContact CB-CD 4.14Å; H220-V454 HydrophobicContact CB-CB 4.23Å; H220-V454 HydrophobicContact CB-CG1 3.94Å; H220-V454 HydrophobicContact CB-CG2 3.85Å; H220-V454 VanDerWaalsContact CD2-CB 3.42Å; H220-V454 WeakPolarHBondContact CD2-CB 3.39Å; H220-V454 VanDerWaalsContact CG-CG2 3.41Å; H220-V454 WeakPolarHBondContact ND1-CG2 3.47Å
221	T	92.7	Very high	91.6	Very high	57 Å²	57	39.8 Å²	39.8	35%	0.35	21%	0.214	S	C	.	.	H	α-helix	trans	-58.8	-48.8	-178.8	-59.4	0	0	0	0	110.7	H217 L223 Q224 T225	H217-T221 PolarHBondContact CE1-OG1 2.61Å; H217-T221 PolarHBondContact ND1-OG1 3.49Å; H217-T221 PolarHBondContact O-N 2.94Å; H217-T221 PolarHBondContact O-OG1 3.06Å; T221-L223 PolarHBondContact O-N 3.04Å; T221-Q224 PolarHBondContact O-N 3.19Å; T221-T225 WeakPolarHBondContact O-CB 3.32Å; T221-T225 PolarHBondContact O-N 3Å; T221-T225 PolarHBondContact O-OG1 3.35Å; T221-T225 VanDerWaalsContact O-OG1 3.06Å
222	K	94.9	Very high	91.1	Very high	66 Å²	66	43.6 Å²	43.6	29%	0.287	23%	0.225	S	C	.	.	H	α-helix	trans	-58.9	-46.4	177.6	-73	-174.7	176.1	-171.4	0	112	L189 D192 V193 S218 H220 W226	L189-K222 HydrophobicContact CD1-CB 3.89Å; D192-K222 HydrophobicContact CB-CD 4.14Å; D192-K222 VanDerWaalsContact CB-NZ 3.32Å; D192-K222 IonicContact OD2-NZ 3.95Å; D192-K222 PolarHBondContact OD2-NZ 3.2Å; V193-K222 HydrophobicContact CG2-CB 3.73Å; V193-K222 HydrophobicContact CG2-CD 4.36Å; S218-K222 WeakPolarHBondContact O-CG 3.16Å; S218-K222 PolarHBondContact O-N 3.41Å; S218-K222 VanDerWaalsContact O-N 3.16Å; H220-K222 PolarHBondContact O-N 2.8Å; K222-W226 WeakPolarHBondContact O-CB 3.48Å; K222-W226 PolarHBondContact O-N 3.36Å
223	L	93.3	Very high	90.1	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-66.3	-37.7	178	-77.2	170.3	0	0	0	113.3	V193 A219 H220 T221 G227 F255 L258 M259 K262	V193-L223 HydrophobicContact CG1-CD1 3.67Å; V193-L223 HydrophobicContact CG1-CD2 3.96Å; V193-L223 HydrophobicContact CG1-CG 3.71Å; V193-L223 HydrophobicContact CG2-CD2 4.34Å; V193-L223 HydrophobicContact CG2-CG 4.04Å; A219-L223 WeakPolarHBondContact O-CB 3.46Å; A219-L223 VanDerWaalsContact O-CG 3.32Å; A219-L223 WeakPolarHBondContact O-CG 3.18Å; A219-L223 PolarHBondContact O-N 2.69Å; H220-L223 PolarHBondContact O-N 2.87Å; T221-L223 PolarHBondContact O-N 3.04Å; L223-G227 PolarHBondContact O-N 3.19Å; L223-F255 HydrophobicContact CD2-CD1 4.22Å; L223-L258 HydrophobicContact CD2-CB 4.21Å; L223-M259 HydrophobicContact CB-SD 3.64Å; L223-M259 HydrophobicContact CD1-CG 4.44Å; L223-M259 HydrophobicContact CD1-SD 3.73Å; L223-M259 HydrophobicContact CD2-CG 4.34Å; L223-M259 HydrophobicContact CD2-SD 4.14Å; L223-M259 HydrophobicContact CG-SD 4.05Å; L223-K262 HydrophobicContact CD1-CB 4.15Å; L223-K262 HydrophobicContact CD1-CD 4.33Å; L223-K262 HydrophobicContact CD1-CG 4.33Å
224	Q	90.8	Very high	89.1	Confident	40 Å²	40	48.6 Å²	48.6	19%	0.187	25%	0.246	C	C	.	.	H	α-helix	trans	-67.8	-46.8	176.5	-73.8	-63.7	-50	0	0	111.4	H220 T221 W226 G227 Q228 N451	H220-Q224 WeakPolarHBondContact CE1-CG 3.15Å; H220-Q224 WeakPolarHBondContact NE2-CG 3.07Å; H220-Q224 WeakPolarHBondContact O-CB 3.21Å; H220-Q224 VanDerWaalsContact O-CG 3.29Å; H220-Q224 WeakPolarHBondContact O-CG 3.17Å; H220-Q224 PolarHBondContact O-N 3.09Å; T221-Q224 PolarHBondContact O-N 3.19Å; Q224-W226 VanDerWaalsContact C-N 3.32Å; Q224-W226 PolarHBondContact O-N 3.14Å; Q224-G227 PolarHBondContact O-N 2.9Å; Q224-Q228 WeakPolarHBondContact O-CG 3Å; Q224-Q228 PolarHBondContact O-N 2.82Å; Q224-N451 PolarHBondContact NE2-OD1 3.01Å
225	T	91.7	Very high	87.6	Confident	71 Å²	71	50.5 Å²	50.5	44%	0.436	25%	0.249	S	C	.	.	H	α-helix	trans	-57.4	-47.8	176	-61.4	0	0	0	0	110.7	T221 G227 Q228 I229	T221-T225 WeakPolarHBondContact O-CB 3.32Å; T221-T225 PolarHBondContact O-N 3Å; T221-T225 PolarHBondContact O-OG1 3.35Å; T221-T225 VanDerWaalsContact O-OG1 3.06Å; T225-G227 PolarHBondContact O-N 3.21Å; T225-Q228 PolarHBondContact O-N 3.04Å; T225-I229 HydrophobicContact CG2-CD1 3.94Å; T225-I229 VanDerWaalsContact O-CG1 3.29Å; T225-I229 WeakPolarHBondContact O-CG1 3.34Å; T225-I229 PolarHBondContact O-N 3.43Å
226	W	91.6	Very high	85.8	Confident	28 Å²	28	54 Å²	54	11%	0.106	27%	0.271	C	S	.	.	H	α-helix	trans	-59.3	-46.8	174.6	170.3	82.2	0	0	0	112.4	F28 L189 K222 Q224 Q228 I229 F230 P251 F255	F28-W226 AromaticContact CD2-NE1 3.97Å; F28-W226 AromaticContact CE2-NE1 3.21Å; F28-W226 AromaticContact CZ-NE1 3.8Å; L189-W226 HydrophobicContact CD2-CB 3.75Å; L189-W226 HydrophobicContact CD2-CG 3.64Å; K222-W226 WeakPolarHBondContact O-CB 3.48Å; K222-W226 PolarHBondContact O-N 3.36Å; Q224-W226 VanDerWaalsContact C-N 3.32Å; Q224-W226 PolarHBondContact O-N 3.14Å; W226-Q228 VanDerWaalsContact C-N 3.32Å; W226-Q228 PolarHBondContact O-N 3.36Å; W226-I229 PolarHBondContact O-N 3.42Å; W226-F230 HydrophobicContact CZ2-CD2 4.27Å; W226-F230 HydrophobicContact CZ2-CG 4.44Å; W226-F230 WeakPolarHBondContact O-CB 3.36Å; W226-F230 PolarHBondContact O-N 2.86Å; W226-P251 HydrophobicContact CH2-CB 3.93Å; W226-F255 AromaticContact CD2-CD1 3.66Å; W226-F255 HydrophobicContact CD2-CD1 3.66Å; W226-F255 AromaticContact CD2-CE1 3.96Å; W226-F255 HydrophobicContact CD2-CE1 3.96Å; W226-F255 HydrophobicContact CD2-CG 4.47Å; W226-F255 AromaticContact CE2-CD1 3.53Å; W226-F255 AromaticContact CE2-CE1 3.83Å; W226-F255 AromaticContact CE2-CG 3.97Å; W226-F255 AromaticContact CE3-CD1 3.79Å; W226-F255 HydrophobicContact CE3-CD1 3.79Å; W226-F255 HydrophobicContact CE3-CE1 4.48Å; W226-F255 HydrophobicContact CG-CD1 4.37Å; W226-F255 HydrophobicContact CG-CE1 4.21Å; W226-F255 HydrophobicContact CH2-CB 3.24Å; W226-F255 AromaticContact CH2-CD1 3.72Å; W226-F255 HydrophobicContact CH2-CD1 3.72Å; W226-F255 AromaticContact CH2-CG 3.62Å; W226-F255 HydrophobicContact CH2-CG 3.62Å; W226-F255 HydrophobicContact CZ2-CB 3.69Å; W226-F255 AromaticContact CZ2-CD1 3.58Å; W226-F255 HydrophobicContact CZ2-CD1 3.58Å; W226-F255 HydrophobicContact CZ2-CD2 4.18Å; W226-F255 HydrophobicContact CZ2-CE1 4.25Å; W226-F255 AromaticContact CZ2-CG 3.53Å; W226-F255 HydrophobicContact CZ2-CG 3.53Å; W226-F255 HydrophobicContact CZ3-CB 3.76Å; W226-F255 AromaticContact CZ3-CD1 3.82Å; W226-F255 HydrophobicContact CZ3-CD1 3.82Å; W226-F255 HydrophobicContact CZ3-CG 4.13Å; W226-F255 AromaticContact NE1-CE1 3.94Å
227	G	89.4	Confident	83.8	Confident	21 Å²	21	57.3 Å²	57.3	22%	0.216	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-40.4	179.8	0	0	0	0	0	112.8	L223 Q224 T225 F230 E231	L223-G227 PolarHBondContact O-N 3.19Å; Q224-G227 PolarHBondContact O-N 2.9Å; T225-G227 PolarHBondContact O-N 3.21Å; G227-F230 PolarHBondContact O-N 3.44Å; G227-E231 WeakPolarHBondContact O-CB 3.48Å; G227-E231 WeakPolarHBondContact O-CG 3.33Å; G227-E231 PolarHBondContact O-N 3.18Å
228	Q	88.6	Confident	82	Confident	115 Å²	115	61 Å²	61	54%	0.537	30%	0.301	S	S	.	.	H	α-helix	trans	-65.6	-42.6	175.3	-71.2	177.1	-1.1	0	0	112.3	Q224 T225 W226 K232	Q224-Q228 WeakPolarHBondContact O-CG 3Å; Q224-Q228 PolarHBondContact O-N 2.82Å; T225-Q228 PolarHBondContact O-N 3.04Å; W226-Q228 VanDerWaalsContact C-N 3.32Å; W226-Q228 PolarHBondContact O-N 3.36Å; Q228-K232 VanDerWaalsContact O-CG 3.3Å; Q228-K232 WeakPolarHBondContact O-CG 3.47Å; Q228-K232 PolarHBondContact O-N 3.42Å
229	I	86.8	Confident	79.9	Confident	86 Å²	86	67.8 Å²	67.8	44%	0.441	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-45.9	176.2	-67.8	166.1	0	0	0	110	T225 W226 E231 K232 Q233	T225-I229 HydrophobicContact CG2-CD1 3.94Å; T225-I229 VanDerWaalsContact O-CG1 3.29Å; T225-I229 WeakPolarHBondContact O-CG1 3.34Å; T225-I229 PolarHBondContact O-N 3.43Å; W226-I229 PolarHBondContact O-N 3.42Å; I229-E231 PolarHBondContact O-N 2.92Å; I229-K232 PolarHBondContact O-N 3.37Å; I229-Q233 VanDerWaalsContact O-CG 3.29Å; I229-Q233 WeakPolarHBondContact O-CG 3.4Å; I229-Q233 PolarHBondContact O-N 2.67Å; I229-Q233 VanDerWaalsContact O-N 3.14Å
230	F	85.2	Confident	78	Confident	15 Å²	15	73.4 Å²	73.4	7%	0.066	36%	0.358	C	S	.	.	H	α-helix	trans	-61.8	-44.2	179.2	-174.1	-92.7	0	0	0	112.2	W226 G227 Q233 R234 V249 P251	W226-F230 HydrophobicContact CZ2-CD2 4.27Å; W226-F230 HydrophobicContact CZ2-CG 4.44Å; W226-F230 WeakPolarHBondContact O-CB 3.36Å; W226-F230 PolarHBondContact O-N 2.86Å; G227-F230 PolarHBondContact O-N 3.44Å; F230-Q233 PolarHBondContact O-N 2.94Å; F230-R234 PolarHBondContact O-N 3.2Å; F230-V249 HydrophobicContact CZ-CG1 4.18Å; F230-P251 HydrophobicContact CD1-CG 4.22Å; F230-P251 HydrophobicContact CE1-CB 4.04Å; F230-P251 HydrophobicContact CE1-CG 3.66Å; F230-P251 HydrophobicContact CZ-CB 4.2Å; F230-P251 HydrophobicContact CZ-CG 4.25Å
231	E	83.1	Confident	76	Confident	58 Å²	58	80.9 Å²	80.9	27%	0.271	39%	0.391	S	S	.	.	H	α-helix	trans	-65.7	-43.7	177.9	-76.4	-62.5	154.1	0	0	112.5	G227 I229 Q233 R234 E235	G227-E231 WeakPolarHBondContact O-CB 3.48Å; G227-E231 WeakPolarHBondContact O-CG 3.33Å; G227-E231 PolarHBondContact O-N 3.18Å; I229-E231 PolarHBondContact O-N 2.92Å; E231-Q233 VanDerWaalsContact C-N 3.28Å; E231-Q233 PolarHBondContact O-N 3Å; E231-R234 VanDerWaalsContact CD-NH2 3.31Å; E231-R234 WeakPolarHBondContact O-CA 3.29Å; E231-R234 VanDerWaalsContact O-CB 3.28Å; E231-R234 WeakPolarHBondContact O-CB 3.29Å; E231-R234 PolarHBondContact O-N 3.4Å; E231-R234 IonicContact OE1-CZ 3.59Å; E231-R234 VanDerWaalsContact OE1-CZ 3.25Å; E231-R234 IonicContact OE1-NE 3.35Å; E231-R234 IonicContact OE1-NH1 2.8Å; E231-R234 PolarHBondContact OE1-NH1 3.49Å; E231-R234 IonicContact OE1-NH2 2.72Å; E231-R234 PolarHBondContact OE1-NH2 3.05Å; E231-R234 IonicContact OE2-CZ 3.72Å; E231-R234 IonicContact OE2-NE 2.66Å; E231-R234 PolarHBondContact OE2-NE 3.06Å; E231-R234 IonicContact OE2-NH1 3.6Å; E231-R234 IonicContact OE2-NH2 2.69Å; E231-R234 PolarHBondContact OE2-NH2 3.03Å; E231-E235 PolarHBondContact O-N 3.35Å
232	K	81.1	Confident	74	Confident	137 Å²	137	82.9 Å²	82.9	60%	0.596	42%	0.422	S	S	*	.	H	α-helix	trans	-56	-44.4	175.1	-75.7	175.5	-180	-177.9	0	111.7	Q228 I229 R234 E235 T236	Q228-K232 VanDerWaalsContact O-CG 3.3Å; Q228-K232 WeakPolarHBondContact O-CG 3.47Å; Q228-K232 PolarHBondContact O-N 3.42Å; I229-K232 PolarHBondContact O-N 3.37Å; K232-R234 PolarHBondContact O-N 3.33Å; K232-E235 PolarHBondContact O-N 3.42Å; K232-T236 PolarHBondContact O-N 3.4Å; K232-T236 PolarHBondContact O-OG1 3.1Å
233	Q	73.3	Confident	71.8	Confident	55 Å²	55	82.6 Å²	82.6	26%	0.257	44%	0.438	S	S	.	.	H	α-helix	trans	-65.6	-22.9	177.2	-68.9	171.9	0.1	0	0	113.4	I27 I229 F230 E231 K237	I27-Q233 VanDerWaalsContact CG2-NE2 3.28Å; I229-Q233 VanDerWaalsContact O-CG 3.29Å; I229-Q233 WeakPolarHBondContact O-CG 3.4Å; I229-Q233 PolarHBondContact O-N 2.67Å; I229-Q233 VanDerWaalsContact O-N 3.14Å; F230-Q233 PolarHBondContact O-N 2.94Å; E231-Q233 VanDerWaalsContact C-N 3.28Å; E231-Q233 PolarHBondContact O-N 3Å; Q233-K237 WeakPolarHBondContact O-CD 3.31Å; Q233-K237 WeakPolarHBondContact O-CE 3.34Å; Q233-K237 WeakPolarHBondContact O-CG 3.4Å
234	R	69.4	Low	69.4	Low	63 Å²	63	91.5 Å²	91.5	24%	0.238	48%	0.48	C	S	.	.	H	α-helix	trans	-80.8	-38.7	174.6	-161.6	176.5	72.4	169.6	0.4	111.6	F230 E231 K232 K237	F230-R234 PolarHBondContact O-N 3.2Å; E231-R234 VanDerWaalsContact CD-NH2 3.31Å; E231-R234 WeakPolarHBondContact O-CA 3.29Å; E231-R234 VanDerWaalsContact O-CB 3.28Å; E231-R234 WeakPolarHBondContact O-CB 3.29Å; E231-R234 PolarHBondContact O-N 3.4Å; E231-R234 IonicContact OE1-CZ 3.59Å; E231-R234 VanDerWaalsContact OE1-CZ 3.25Å; E231-R234 IonicContact OE1-NE 3.35Å; E231-R234 IonicContact OE1-NH1 2.8Å; E231-R234 PolarHBondContact OE1-NH1 3.49Å; E231-R234 IonicContact OE1-NH2 2.72Å; E231-R234 PolarHBondContact OE1-NH2 3.05Å; E231-R234 IonicContact OE2-CZ 3.72Å; E231-R234 IonicContact OE2-NE 2.66Å; E231-R234 PolarHBondContact OE2-NE 3.06Å; E231-R234 IonicContact OE2-NH1 3.6Å; E231-R234 IonicContact OE2-NH2 2.69Å; E231-R234 PolarHBondContact OE2-NH2 3.03Å; K232-R234 PolarHBondContact O-N 3.33Å; R234-K237 PolarHBondContact O-N 3.4Å
235	E	61.2	Low	67.2	Low	112 Å²	112	95.6 Å²	95.6	52%	0.523	51%	0.513	S	S	.	.	H	α-helix	trans	-71.3	-43	179.6	-71.7	-179.1	166.6	0	0	112.8	E231 K232 K237 K238	E231-E235 PolarHBondContact O-N 3.35Å; K232-E235 PolarHBondContact O-N 3.42Å; E235-K237 PolarHBondContact O-N 3.16Å; E235-K238 PolarHBondContact O-N 3.28Å
236	T	58.9	Low	65.2	Low	93 Å²	93	100.6 Å²	100.6	57%	0.571	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.9	175.6	-49.5	0	0	0	0	112	K232	K232-T236 PolarHBondContact O-N 3.4Å; K232-T236 PolarHBondContact O-OG1 3.1Å
237	K	53.3	Low	63.4	Low	74 Å²	74	108.8 Å²	108.8	32%	0.322	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.6	-21.5	178.8	-67.8	173	-173.4	171	0	114.1	Q233 R234 E235	Q233-K237 WeakPolarHBondContact O-CD 3.31Å; Q233-K237 WeakPolarHBondContact O-CE 3.34Å; Q233-K237 WeakPolarHBondContact O-CG 3.4Å; R234-K237 PolarHBondContact O-N 3.4Å; E235-K237 PolarHBondContact O-N 3.16Å
238	K	53.4	Low	61.9	Low	141 Å²	141	109.8 Å²	109.8	61%	0.613	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-23.7	-179.2	-72.9	-173.5	179.1	177.3	0	113.6	E235	E235-K238 PolarHBondContact O-N 3.28Å
239	H	50.9	Low	60.9	Low	175 Å²	175	107.5 Å²	107.5	81%	0.81	57%	0.567	S	S	*	*	S	Bend	trans	-95.3	-6.8	-172.5	-72.9	-71.9	0	0	0	115
240	L	54.8	Low	60.5	Low	118 Å²	118	109.7 Å²	109.7	62%	0.618	58%	0.576	S	S	*	*	S	Bend	trans	-95.2	-13.6	-174.1	-83.7	152.4	0	0	0	114.6
241	F	52.3	Low	60.5	Low	173 Å²	173	110.1 Å²	110.1	76%	0.759	58%	0.58	S	S	*	*			trans	-141	99.4	-178.4	-65.6	-79.4	0	0	0	110.9	G243	F241-G243 PolarHBondContact O-N 3.43Å; F241-G243 VanDerWaalsContact O-N 3.07Å
242	G	50.5	Low	60.8	Low	98 Å²	98	108.2 Å²	108.2	100%	1.01	57%	0.573	S	S	*	*			trans	-69.8	95.2	167.5	0	0	0	0	0	109.9
243	G	48	Very low	61.4	Low	60 Å²	60	104.2 Å²	104.2	62%	0.619	56%	0.556	S	S	*	*	S	Bend	trans	150	116.2	172.6	0	0	0	0	0	113.4	F241	F241-G243 PolarHBondContact O-N 3.43Å; F241-G243 VanDerWaalsContact O-N 3.07Å
244	Q	44	Very low	62.4	Low	189 Å²	189	101.6 Å²	101.6	88%	0.883	54%	0.544	S	S	*	.	S	Bend	trans	72.1	122.4	178	-58.9	-167.7	-7.4	0	0	116.8	Q246	Q244-Q246 VanDerWaalsContact C-N 3.33Å; Q244-Q246 PolarHBondContact O-N 3Å
245	S	43.2	Very low	63.6	Low	125 Å²	125	98.6 Å²	98.6	87%	0.874	53%	0.532	S	S	*	.			trans	-59	88.5	172.2	-179.5	0	0	0	0	110.5	K247	S245-K247 PolarHBondContact O-N 3.46Å
246	Q	50.5	Low	65.1	Low	176 Å²	176	96.6 Å²	96.6	82%	0.822	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-61.5	123.9	163.8	-72.1	-161.8	-15.7	0	0	107.5	Q244 A248	Q244-Q246 VanDerWaalsContact C-N 3.33Å; Q244-Q246 PolarHBondContact O-N 3Å; Q246-A248 PolarHBondContact O-N 3.39Å
247	K	53	Low	66.9	Low	201 Å²	201	92.3 Å²	92.3	87%	0.874	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-48.8	118.2	173.5	-77.8	-177.7	178.5	176.6	0	108	S245 V249	S245-K247 PolarHBondContact O-N 3.46Å; K247-V249 PolarHBondContact O-N 3.44Å
248	A	59.3	Low	69	Low	41 Å²	41	88.8 Å²	88.8	34%	0.339	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-51	126.7	-179	0	0	0	0	0	109.6	Q246 Q250	Q246-A248 PolarHBondContact O-N 3.39Å; A248-Q250 PolarHBondContact O-N 3.49Å; A248-Q250 PolarHBondContact O-NE2 3.06Å
249	V	67.6	Low	70.9	Confident	68 Å²	68	83.4 Å²	83.4	41%	0.412	46%	0.461	S	S	.	.			trans	-54.6	115.3	177.2	-179.3	0	0	0	0	107.5	F230 K247	F230-V249 HydrophobicContact CZ-CG1 4.18Å; K247-V249 PolarHBondContact O-N 3.44Å
250	Q	76.4	Confident	72.9	Confident	132 Å²	132	77.5 Å²	77.5	62%	0.617	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-79.7	144.3	179.4	-66.6	-59.5	-44.9	0	0	109.3	A248	A248-Q250 PolarHBondContact O-N 3.49Å; A248-Q250 PolarHBondContact O-NE2 3.06Å
251	P	85.4	Confident	74.8	Confident	23 Å²	23	71.9 Å²	71.9	15%	0.149	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-59.2	148.1	171.8	-16.6	27.8	0	0	0	110.9	W226 F230 L256	W226-P251 HydrophobicContact CH2-CB 3.93Å; F230-P251 HydrophobicContact CD1-CG 4.22Å; F230-P251 HydrophobicContact CE1-CB 4.04Å; F230-P251 HydrophobicContact CE1-CG 3.66Å; F230-P251 HydrophobicContact CZ-CB 4.2Å; F230-P251 HydrophobicContact CZ-CG 4.25Å; P251-L256 HydrophobicContact CB-CD2 3.97Å; P251-L256 HydrophobicContact CB-CG 4.18Å; P251-L256 HydrophobicContact CG-CD2 4.05Å
252	P	90.4	Very high	76.9	Confident	19 Å²	19	63.8 Å²	63.8	12%	0.123	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-59	143.1	176.6	-18.5	28.9	0	0	0	111.8	F28 H69 L254 F255 L256	F28-P252 HydrophobicContact CB-CG 3.82Å; F28-P252 HydrophobicContact CD1-CG 3.63Å; F28-P252 HydrophobicContact CE1-CG 4.44Å; F28-P252 HydrophobicContact CG-CG 3.76Å; H69-P252 HydrophobicContact CB-CB 3.82Å; P252-L254 PolarHBondContact O-N 3.26Å; P252-F255 HydrophobicContact CB-CD2 4.5Å; P252-F255 PolarHBondContact O-N 2.99Å; P252-L256 PolarHBondContact O-N 3.24Å
253	H	92.6	Very high	78.8	Confident	52 Å²	52	59.8 Å²	59.8	24%	0.241	32%	0.323	C	S	.	.	H	α-helix	trans	-56.6	-39.1	-175.9	-178.6	74.2	0	0	0	112.3	H69 F255 L256 W257 S438 L439 P441	H69-H253 PolarHBondContact O-N 2.79Å; H253-F255 VanDerWaalsContact C-N 3.32Å; H253-F255 PolarHBondContact O-N 3.03Å; H253-L256 WeakPolarHBondContact O-CB 3.43Å; H253-L256 PolarHBondContact O-N 3.09Å; H253-W257 WeakPolarHBondContact O-CB 3.4Å; H253-W257 PolarHBondContact O-N 3.39Å; H253-S438 PolarHBondContact NE2-O 3.48Å; H253-L439 PolarHBondContact CD2-O 3.16Å; H253-L439 PolarHBondContact NE2-O 2.86Å; H253-L439 VanDerWaalsContact NE2-O 3.09Å; H253-P441 HydrophobicContact CB-CG 4.49Å
254	L	95.6	Very high	81	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-54	-46.5	175.6	174	56.6	0	0	0	112.8	Y68 H69 L71 Y143 E190 P252 W257 L258	Y68-L254 HydrophobicContact CE1-CD2 4.02Å; H69-L254 PolarHBondContact O-N 3.48Å; H69-L254 VanDerWaalsContact O-N 3.09Å; L71-L254 HydrophobicContact CD1-CB 3.9Å; L71-L254 HydrophobicContact CD1-CD1 3.85Å; L71-L254 HydrophobicContact CD1-CG 4.45Å; L71-L254 HydrophobicContact CG-CB 4.18Å; Y143-L254 HydrophobicContact CE1-CD1 3.88Å; Y143-L254 HydrophobicContact CE2-CD1 3.97Å; Y143-L254 HydrophobicContact CE2-CD2 3.99Å; Y143-L254 VanDerWaalsContact CZ-CD1 3.46Å; Y143-L254 WeakPolarHBondContact OH-CD1 3.35Å; E190-L254 VanDerWaalsContact CD-CD2 3.42Å; E190-L254 HydrophobicContact CG-CD2 3.89Å; E190-L254 WeakPolarHBondContact OE1-CD2 3.39Å; P252-L254 PolarHBondContact O-N 3.26Å; L254-W257 HydrophobicContact CD1-CE3 4.3Å; L254-W257 WeakPolarHBondContact O-CB 3.41Å; L254-W257 PolarHBondContact O-N 3.01Å; L254-L258 HydrophobicContact CD1-CG 4.36Å; L254-L258 HydrophobicContact CG-CD1 4.5Å; L254-L258 WeakPolarHBondContact O-CG 3.12Å; L254-L258 PolarHBondContact O-N 2.89Å
255	F	94.3	Very high	83.4	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-72.7	-33	-179.4	-82.1	-98.1	0	0	0	112.8	F28 L189 E190 L223 W226 P252 H253 W257 L258 M259	F28-F255 HydrophobicContact CD1-CE2 4.49Å; F28-F255 HydrophobicContact CE1-CD2 4.17Å; F28-F255 AromaticContact CE1-CE2 3.48Å; F28-F255 HydrophobicContact CE1-CE2 3.48Å; F28-F255 VanDerWaalsContact CE1-CE2 3.48Å; F28-F255 HydrophobicContact CE1-CZ 4.08Å; F28-F255 HydrophobicContact CZ-CD2 4.37Å; F28-F255 AromaticContact CZ-CE2 3.57Å; F28-F255 HydrophobicContact CZ-CE2 3.57Å; F28-F255 AromaticContact CZ-CZ 3.68Å; F28-F255 HydrophobicContact CZ-CZ 3.68Å; L189-F255 HydrophobicContact CD2-CE1 3.71Å; L189-F255 HydrophobicContact CD2-CZ 4.04Å; L189-F255 HydrophobicContact CG-CE1 4.02Å; L189-F255 HydrophobicContact CG-CZ 4.31Å; E190-F255 HydrophobicContact CB-CZ 4.35Å; L223-F255 HydrophobicContact CD2-CD1 4.22Å; W226-F255 AromaticContact CD2-CD1 3.66Å; W226-F255 HydrophobicContact CD2-CD1 3.66Å; W226-F255 AromaticContact CD2-CE1 3.96Å; W226-F255 HydrophobicContact CD2-CE1 3.96Å; W226-F255 HydrophobicContact CD2-CG 4.47Å; W226-F255 AromaticContact CE2-CD1 3.53Å; W226-F255 AromaticContact CE2-CE1 3.83Å; W226-F255 AromaticContact CE2-CG 3.97Å; W226-F255 AromaticContact CE3-CD1 3.79Å; W226-F255 HydrophobicContact CE3-CD1 3.79Å; W226-F255 HydrophobicContact CE3-CE1 4.48Å; W226-F255 HydrophobicContact CG-CD1 4.37Å; W226-F255 HydrophobicContact CG-CE1 4.21Å; W226-F255 HydrophobicContact CH2-CB 3.24Å; W226-F255 AromaticContact CH2-CD1 3.72Å; W226-F255 HydrophobicContact CH2-CD1 3.72Å; W226-F255 AromaticContact CH2-CG 3.62Å; W226-F255 HydrophobicContact CH2-CG 3.62Å; W226-F255 HydrophobicContact CZ2-CB 3.69Å; W226-F255 AromaticContact CZ2-CD1 3.58Å; W226-F255 HydrophobicContact CZ2-CD1 3.58Å; W226-F255 HydrophobicContact CZ2-CD2 4.18Å; W226-F255 HydrophobicContact CZ2-CE1 4.25Å; W226-F255 AromaticContact CZ2-CG 3.53Å; W226-F255 HydrophobicContact CZ2-CG 3.53Å; W226-F255 HydrophobicContact CZ3-CB 3.76Å; W226-F255 AromaticContact CZ3-CD1 3.82Å; W226-F255 HydrophobicContact CZ3-CD1 3.82Å; W226-F255 HydrophobicContact CZ3-CG 4.13Å; W226-F255 AromaticContact NE1-CE1 3.94Å; P252-F255 HydrophobicContact CB-CD2 4.5Å; P252-F255 PolarHBondContact O-N 2.99Å; H253-F255 VanDerWaalsContact C-N 3.32Å; H253-F255 PolarHBondContact O-N 3.03Å; F255-W257 VanDerWaalsContact C-N 3.26Å; F255-W257 PolarHBondContact O-N 2.98Å; F255-L258 HydrophobicContact CD1-CD1 4.3Å; F255-L258 HydrophobicContact CE1-CD1 4.46Å; F255-L258 HydrophobicContact CG-CD1 4.49Å; F255-L258 PolarHBondContact O-N 2.89Å; F255-M259 WeakPolarHBondContact O-CG 3.34Å; F255-M259 PolarHBondContact O-N 3.18Å
256	L	93.4	Very high	85.7	Confident	70 Å²	70	43.2 Å²	43.2	37%	0.366	22%	0.216	S	C	.	.	H	α-helix	trans	-61.2	-39.9	169.4	-64.8	176.8	0	0	0	111	P251 P252 H253 M259 K260	P251-L256 HydrophobicContact CB-CD2 3.97Å; P251-L256 HydrophobicContact CB-CG 4.18Å; P251-L256 HydrophobicContact CG-CD2 4.05Å; P252-L256 PolarHBondContact O-N 3.24Å; H253-L256 WeakPolarHBondContact O-CB 3.43Å; H253-L256 PolarHBondContact O-N 3.09Å; L256-M259 PolarHBondContact O-N 3.05Å; L256-K260 PolarHBondContact O-N 2.86Å
257	W	95.9	Very high	87.6	Confident	3 Å²	3	35 Å²	35	1%	0.011	18%	0.178	C	C	.	.	H	α-helix	trans	-67.7	-42.5	175.6	179	88.4	0	0	0	112.5	Y143 M146 L194 H253 L254 F255 M259 K260 L261 V435 L439	Y143-W257 HydrophobicContact CE1-CZ3 4.35Å; M146-W257 HydrophobicContact CE-CH2 3.62Å; M146-W257 HydrophobicContact CE-CZ2 4.27Å; L194-W257 HydrophobicContact CD1-CH2 4.33Å; L194-W257 HydrophobicContact CD1-CZ3 4.03Å; H253-W257 WeakPolarHBondContact O-CB 3.4Å; H253-W257 PolarHBondContact O-N 3.39Å; L254-W257 HydrophobicContact CD1-CE3 4.3Å; L254-W257 WeakPolarHBondContact O-CB 3.41Å; L254-W257 PolarHBondContact O-N 3.01Å; F255-W257 VanDerWaalsContact C-N 3.26Å; F255-W257 PolarHBondContact O-N 2.98Å; W257-M259 VanDerWaalsContact C-N 3.3Å; W257-M259 PolarHBondContact O-N 2.85Å; W257-K260 CarbonylContact O-C 3.29Å; W257-K260 WeakPolarHBondContact O-CA 3.48Å; W257-K260 WeakPolarHBondContact O-CB 3.34Å; W257-K260 PolarHBondContact O-N 3.28Å; W257-L261 HydrophobicContact CH2-CD2 3.6Å; W257-L261 HydrophobicContact CZ2-CB 4.47Å; W257-L261 HydrophobicContact CZ2-CD2 4.14Å; W257-L261 HydrophobicContact CZ3-CD2 4.04Å; W257-L261 PolarHBondContact O-N 3.49Å; W257-V435 PolarHBondContact NE1-O 3.31Å; W257-L439 HydrophobicContact CD2-CD1 3.25Å; W257-L439 HydrophobicContact CE3-CD1 3.43Å; W257-L439 VanDerWaalsContact CE3-CD1 3.43Å; W257-L439 HydrophobicContact CG-CD1 3.81Å; W257-L439 HydrophobicContact CH2-CD1 3.78Å; W257-L439 HydrophobicContact CZ2-CD1 3.63Å; W257-L439 HydrophobicContact CZ3-CD1 3.69Å
258	L	96.8	Very high	89.6	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-57.9	-43.4	174.3	-70.7	172.7	0	0	0	111.4	V193 L194 L197 L223 L254 F255 K260 L261 K262	V193-L258 HydrophobicContact CG1-CB 4.28Å; V193-L258 HydrophobicContact CG1-CD1 4.15Å; V193-L258 HydrophobicContact CG1-CD2 4.22Å; V193-L258 HydrophobicContact CG1-CG 4.46Å; L194-L258 HydrophobicContact CB-CD2 4.34Å; L194-L258 HydrophobicContact CD1-CD2 4.13Å; L197-L258 HydrophobicContact CD1-CD2 4.18Å; L223-L258 HydrophobicContact CD2-CB 4.21Å; L254-L258 HydrophobicContact CD1-CG 4.36Å; L254-L258 HydrophobicContact CG-CD1 4.5Å; L254-L258 WeakPolarHBondContact O-CG 3.12Å; L254-L258 PolarHBondContact O-N 2.89Å; F255-L258 HydrophobicContact CD1-CD1 4.3Å; F255-L258 HydrophobicContact CE1-CD1 4.46Å; F255-L258 HydrophobicContact CG-CD1 4.49Å; F255-L258 PolarHBondContact O-N 2.89Å; L258-K260 VanDerWaalsContact C-N 3.31Å; L258-K260 PolarHBondContact O-N 2.69Å; L258-L261 PolarHBondContact O-N 3.13Å; L258-K262 WeakPolarHBondContact O-CB 3.27Å; L258-K262 PolarHBondContact O-N 3.43Å
259	M	93.9	Very high	91.2	Very high	29 Å²	29	23.4 Å²	23.4	14%	0.143	12%	0.12	C	C	.	.	H	α-helix	trans	-61.2	-39.7	173.7	-73.2	-68.4	-76.1	0	0	112.3	L223 F255 L256 W257 K262 N263	L223-M259 HydrophobicContact CB-SD 3.64Å; L223-M259 HydrophobicContact CD1-CG 4.44Å; L223-M259 HydrophobicContact CD1-SD 3.73Å; L223-M259 HydrophobicContact CD2-CG 4.34Å; L223-M259 HydrophobicContact CD2-SD 4.14Å; L223-M259 HydrophobicContact CG-SD 4.05Å; F255-M259 WeakPolarHBondContact O-CG 3.34Å; F255-M259 PolarHBondContact O-N 3.18Å; L256-M259 PolarHBondContact O-N 3.05Å; W257-M259 VanDerWaalsContact C-N 3.3Å; W257-M259 PolarHBondContact O-N 2.85Å; M259-K262 PolarHBondContact O-N 3.33Å; M259-N263 WeakPolarHBondContact O-CB 3.25Å; M259-N263 VanDerWaalsContact O-CG 3.31Å; M259-N263 PolarHBondContact O-N 3.42Å; M259-N263 PolarHBondContact O-ND2 3.06Å
260	K	93.2	Very high	92.3	Very high	51 Å²	51	20.3 Å²	20.3	22%	0.222	10%	0.101	C	C	.	.	H	α-helix	trans	-66.3	-45.9	177.1	-171.1	-178.1	179.6	-176.4	0	112	L256 W257 L258 K262 N263 M264 V435 S438	L256-K260 PolarHBondContact O-N 2.86Å; W257-K260 CarbonylContact O-C 3.29Å; W257-K260 WeakPolarHBondContact O-CA 3.48Å; W257-K260 WeakPolarHBondContact O-CB 3.34Å; W257-K260 PolarHBondContact O-N 3.28Å; L258-K260 VanDerWaalsContact C-N 3.31Å; L258-K260 PolarHBondContact O-N 2.69Å; K260-K262 VanDerWaalsContact C-N 3.34Å; K260-N263 PolarHBondContact O-N 2.74Å; K260-M264 PolarHBondContact O-N 2.88Å; K260-V435 HydrophobicContact CB-CG2 4.46Å; K260-V435 HydrophobicContact CD-CG2 4.2Å; K260-V435 HydrophobicContact CG-CG2 3.99Å; K260-S438 PolarHBondContact NZ-OG 2.88Å
261	L	95.3	Very high	93	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.4	-47.8	174.1	177.9	62.1	0	0	0	110.5	L197 W257 L258 N263 M264 L265 V435 F436	L197-L261 HydrophobicContact CB-CD2 3.92Å; L197-L261 HydrophobicContact CB-CG 4.37Å; L197-L261 HydrophobicContact CD1-CB 4.3Å; L197-L261 HydrophobicContact CD1-CD2 3.94Å; L197-L261 HydrophobicContact CD1-CG 4.14Å; W257-L261 HydrophobicContact CH2-CD2 3.6Å; W257-L261 HydrophobicContact CZ2-CB 4.47Å; W257-L261 HydrophobicContact CZ2-CD2 4.14Å; W257-L261 HydrophobicContact CZ3-CD2 4.04Å; W257-L261 PolarHBondContact O-N 3.49Å; L258-L261 PolarHBondContact O-N 3.13Å; L261-N263 VanDerWaalsContact C-N 3.32Å; L261-N263 PolarHBondContact O-N 3.33Å; L261-M264 HydrophobicContact CD1-CE 3.73Å; L261-M264 PolarHBondContact O-N 3.19Å; L261-L265 HydrophobicContact CD1-CD1 4.12Å; L261-L265 HydrophobicContact CD1-CG 4.12Å; L261-L265 HydrophobicContact CG-CD1 4.09Å; L261-L265 HydrophobicContact CG-CG 4.46Å; L261-L265 WeakPolarHBondContact O-CG 3.31Å; L261-L265 PolarHBondContact O-N 2.97Å; L261-V435 HydrophobicContact CB-CG2 4.2Å; L261-V435 HydrophobicContact CD1-CG1 3.64Å; L261-V435 HydrophobicContact CD1-CG2 4.4Å; L261-F436 HydrophobicContact CD1-CE2 4.25Å
262	K	95	Very high	93.4	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.009	7%	0.067	C	C	.	.	H	α-helix	trans	-58.2	-39.9	175.4	-172.8	-124.8	59.3	69.4	0	112.8	L197 H220 L223 L258 M259 K260 L266	L197-K262 HydrophobicContact CD1-CB 4.26Å; L197-K262 HydrophobicContact CD2-CB 3.63Å; L197-K262 HydrophobicContact CD2-CG 3.85Å; H220-K262 HydrophobicContact CB-CD 4.14Å; L223-K262 HydrophobicContact CD1-CB 4.15Å; L223-K262 HydrophobicContact CD1-CD 4.33Å; L223-K262 HydrophobicContact CD1-CG 4.33Å; L258-K262 WeakPolarHBondContact O-CB 3.27Å; L258-K262 PolarHBondContact O-N 3.43Å; M259-K262 PolarHBondContact O-N 3.33Å; K260-K262 VanDerWaalsContact C-N 3.34Å; K262-L266 VanDerWaalsContact O-CB 3.23Å; K262-L266 WeakPolarHBondContact O-CB 3.46Å; K262-L266 PolarHBondContact O-N 3.36Å; K262-L266 VanDerWaalsContact O-N 3.09Å
263	N	91.8	Very high	93.4	Very high	14 Å²	14	12.6 Å²	12.6	8%	0.075	6%	0.062	C	C	.	.	H	α-helix	trans	-70.5	-41.1	179.5	-77.2	-23.3	0	0	0	112.5	M259 K260 L261 L266 A267	M259-N263 WeakPolarHBondContact O-CB 3.25Å; M259-N263 VanDerWaalsContact O-CG 3.31Å; M259-N263 PolarHBondContact O-N 3.42Å; M259-N263 PolarHBondContact O-ND2 3.06Å; K260-N263 PolarHBondContact O-N 2.74Å; L261-N263 VanDerWaalsContact C-N 3.32Å; L261-N263 PolarHBondContact O-N 3.33Å; N263-L266 WeakPolarHBondContact O-CB 3.31Å; N263-L266 PolarHBondContact O-N 3.02Å; N263-A267 PolarHBondContact O-N 3.02Å
264	M	93	Very high	93.1	Very high	16 Å²	16	11.5 Å²	11.5	8%	0.079	6%	0.057	C	C	.	.	H	α-helix	trans	-62.5	-51.3	174.4	177.3	-69.4	-68.4	0	0	110.6	K260 L261 L266 A267 K268 N432 V435	K260-M264 PolarHBondContact O-N 2.88Å; L261-M264 HydrophobicContact CD1-CE 3.73Å; L261-M264 PolarHBondContact O-N 3.19Å; M264-L266 PolarHBondContact O-N 3.24Å; M264-A267 WeakPolarHBondContact O-CB 3.47Å; M264-A267 PolarHBondContact O-N 2.85Å; M264-K268 PolarHBondContact O-N 3.33Å; M264-K268 HydrophobicContact SD-CB 4.41Å; M264-N432 HydrophobicContact CE-CB 3.53Å; M264-N432 WeakPolarHBondContact CE-ND2 3.29Å; M264-N432 HydrophobicContact CG-CB 4.34Å; M264-N432 WeakPolarHBondContact CG-OD1 3.23Å; M264-N432 HydrophobicContact SD-CB 3.91Å; M264-N432 PolarHBondContact SD-ND2 3.03Å; M264-N432 PolarHBondContact SD-OD1 3.08Å; M264-V435 HydrophobicContact CE-CG1 3.96Å
265	L	94.1	Very high	92.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.6	-34	-177.2	-72.7	176.8	0	0	0	111.3	L197 Q201 L216 L261 K268 F269	L197-L265 HydrophobicContact CB-CD1 4.05Å; L197-L265 HydrophobicContact CD2-CD1 4.1Å; L197-L265 WeakPolarHBondContact O-CD1 3.29Å; Q201-L265 HydrophobicContact CB-CD1 4.18Å; Q201-L265 HydrophobicContact CB-CD2 3.69Å; Q201-L265 HydrophobicContact CG-CD2 3.85Å; L216-L265 HydrophobicContact CD2-CB 3.83Å; L261-L265 HydrophobicContact CD1-CD1 4.12Å; L261-L265 HydrophobicContact CD1-CG 4.12Å; L261-L265 HydrophobicContact CG-CD1 4.09Å; L261-L265 HydrophobicContact CG-CG 4.46Å; L261-L265 WeakPolarHBondContact O-CG 3.31Å; L261-L265 PolarHBondContact O-N 2.97Å; L265-K268 PolarHBondContact O-N 2.9Å; L265-F269 VanDerWaalsContact O-CB 3.29Å; L265-F269 WeakPolarHBondContact O-CB 3.24Å; L265-F269 PolarHBondContact O-N 3.1Å
266	L	91.8	Very high	92	Very high	11 Å²	11	13.9 Å²	13.9	6%	0.058	7%	0.068	C	C	.	.	H	α-helix	trans	-63	-50.1	173.2	-163.4	66.6	0	0	0	112	L216 K262 N263 M264 K268 F269 S270 F453 V454	L216-L266 HydrophobicContact CD1-CD1 4.17Å; K262-L266 VanDerWaalsContact O-CB 3.23Å; K262-L266 WeakPolarHBondContact O-CB 3.46Å; K262-L266 PolarHBondContact O-N 3.36Å; K262-L266 VanDerWaalsContact O-N 3.09Å; N263-L266 WeakPolarHBondContact O-CB 3.31Å; N263-L266 PolarHBondContact O-N 3.02Å; M264-L266 PolarHBondContact O-N 3.24Å; L266-K268 PolarHBondContact O-N 3.13Å; L266-F269 WeakPolarHBondContact O-CB 3.08Å; L266-F269 PolarHBondContact O-N 3.28Å; L266-F269 VanDerWaalsContact O-N 3.15Å; L266-S270 PolarHBondContact O-N 2.99Å; L266-S270 PolarHBondContact O-OG 2.65Å; L266-F453 HydrophobicContact CD1-CD1 3.21Å; L266-F453 HydrophobicContact CD1-CE1 3.29Å; L266-F453 HydrophobicContact CD1-CG 4.17Å; L266-F453 HydrophobicContact CD1-CZ 4.32Å; L266-F453 HydrophobicContact CD2-CB 3.34Å; L266-F453 HydrophobicContact CD2-CD1 3.25Å; L266-F453 HydrophobicContact CD2-CD2 4.21Å; L266-F453 HydrophobicContact CD2-CE1 4.09Å; L266-F453 HydrophobicContact CD2-CG 3.32Å; L266-F453 HydrophobicContact CG-CB 4.24Å; L266-F453 HydrophobicContact CG-CD1 3.2Å; L266-F453 HydrophobicContact CG-CD2 4.29Å; L266-F453 HydrophobicContact CG-CE1 3.5Å; L266-F453 VanDerWaalsContact CG-CE1 3.5Å; L266-F453 HydrophobicContact CG-CG 3.65Å; L266-F453 HydrophobicContact CG-CZ 4.2Å; L266-V454 HydrophobicContact CD1-CG2 4.17Å; L266-V454 HydrophobicContact CD2-CG2 4.01Å
267	A	91.9	Very high	91.5	Very high	2 Å²	2	10.9 Å²	10.9	2%	0.017	5%	0.053	C	C	.	.	H	α-helix	trans	-58.2	-39.9	177.5	0	0	0	0	0	112	N263 M264 S270 F271 A293 P295 F297	N263-A267 PolarHBondContact O-N 3.02Å; M264-A267 WeakPolarHBondContact O-CB 3.47Å; M264-A267 PolarHBondContact O-N 2.85Å; A267-S270 PolarHBondContact O-N 3.42Å; A267-F271 WeakPolarHBondContact O-CB 3.44Å; A267-F271 PolarHBondContact O-N 3.31Å; A267-F271 VanDerWaalsContact O-N 3.08Å; A267-A293 HydrophobicContact CB-CB 3.94Å; A267-P295 WeakPolarHBondContact CB-O 3.35Å; A267-F297 HydrophobicContact CB-CD2 4.35Å; A267-F297 HydrophobicContact CB-CE2 4.08Å
268	K	93.8	Very high	90.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-65.2	-45.2	175	-171.8	175.6	178.3	176.1	0	111.9	V204 M264 L265 L266 F271 Y272 E399 L430	V204-K268 HydrophobicContact CG1-CD 4.13Å; V204-K268 HydrophobicContact CG1-CG 4.02Å; M264-K268 PolarHBondContact O-N 3.33Å; M264-K268 HydrophobicContact SD-CB 4.41Å; L265-K268 PolarHBondContact O-N 2.9Å; L266-K268 PolarHBondContact O-N 3.13Å; K268-F271 PolarHBondContact O-N 3.17Å; K268-Y272 VanDerWaalsContact CE-CE2 3.47Å; K268-Y272 VanDerWaalsContact CE-CZ 3.47Å; K268-Y272 HydrophobicContact CG-CD1 4.15Å; K268-Y272 HydrophobicContact CG-CD2 4.49Å; K268-Y272 HydrophobicContact CG-CE1 4.04Å; K268-Y272 HydrophobicContact CG-CE2 4.34Å; K268-Y272 HydrophobicContact CG-CG 4.4Å; K268-Y272 WeakPolarHBondContact O-CB 3.44Å; K268-Y272 WeakPolarHBondContact O-CD1 3.5Å; K268-Y272 PolarHBondContact O-N 3.08Å; K268-E399 WeakPolarHBondContact CE-OE2 3.22Å; K268-E399 IonicContact NZ-OE1 3.04Å; K268-E399 PolarHBondContact NZ-OE1 3.03Å; K268-E399 IonicContact NZ-OE2 3.02Å; K268-E399 PolarHBondContact NZ-OE2 3.42Å; K268-L430 HydrophobicContact CG-CD2 4.17Å; K268-L430 PolarHBondContact NZ-O 3.28Å
269	F	93.1	Very high	90.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.4	-46.8	173.8	174.2	-84.9	0	0	0	111.4	V204 F209 S212 L213 L216 L265 L266 F271 Y272 F273 L277 F453	V204-F269 HydrophobicContact CG2-CB 4.36Å; V204-F269 HydrophobicContact CG2-CD2 4.24Å; F209-F269 AromaticContact CD2-CE2 3.99Å; F209-F269 HydrophobicContact CD2-CE2 3.99Å; F209-F269 AromaticContact CD2-CZ 3.74Å; F209-F269 HydrophobicContact CD2-CZ 3.74Å; F209-F269 HydrophobicContact CE2-CE1 4.17Å; F209-F269 HydrophobicContact CE2-CE2 4.16Å; F209-F269 AromaticContact CE2-CZ 3.43Å; F209-F269 HydrophobicContact CE2-CZ 3.43Å; F209-F269 VanDerWaalsContact CE2-CZ 3.43Å; F209-F269 HydrophobicContact CZ-CZ 4.26Å; S212-F269 WeakPolarHBondContact OG-CD2 3.31Å; S212-F269 WeakPolarHBondContact OG-CE2 3.5Å; L213-F269 HydrophobicContact CB-CE2 3.95Å; L213-F269 HydrophobicContact CB-CZ 3.79Å; L213-F269 HydrophobicContact CD1-CE1 4.27Å; L213-F269 HydrophobicContact CD1-CZ 3.99Å; L213-F269 HydrophobicContact CG-CZ 4.34Å; L216-F269 HydrophobicContact CD1-CB 3.62Å; L216-F269 HydrophobicContact CD1-CD1 4.36Å; L216-F269 HydrophobicContact CD1-CD2 3.79Å; L216-F269 HydrophobicContact CD1-CG 3.67Å; L265-F269 VanDerWaalsContact O-CB 3.29Å; L265-F269 WeakPolarHBondContact O-CB 3.24Å; L265-F269 PolarHBondContact O-N 3.1Å; L266-F269 WeakPolarHBondContact O-CB 3.08Å; L266-F269 PolarHBondContact O-N 3.28Å; L266-F269 VanDerWaalsContact O-N 3.15Å; F269-F271 PolarHBondContact O-N 3.05Å; F269-Y272 PolarHBondContact O-N 3.32Å; F269-F273 HydrophobicContact CB-CD2 4.49Å; F269-F273 HydrophobicContact CD1-CD2 4.43Å; F269-F273 AromaticContact CD2-CD2 3.33Å; F269-F273 HydrophobicContact CD2-CD2 3.33Å; F269-F273 AromaticContact CD2-CE2 3.49Å; F269-F273 HydrophobicContact CD2-CE2 3.49Å; F269-F273 VanDerWaalsContact CD2-CE2 3.49Å; F269-F273 AromaticContact CE2-CD2 3.45Å; F269-F273 HydrophobicContact CE2-CD2 3.45Å; F269-F273 VanDerWaalsContact CE2-CD2 3.45Å; F269-F273 AromaticContact CE2-CE2 3.7Å; F269-F273 HydrophobicContact CE2-CE2 3.7Å; F269-F273 HydrophobicContact CE2-CG 4.34Å; F269-F273 AromaticContact CG-CD2 3.85Å; F269-F273 HydrophobicContact CG-CD2 3.85Å; F269-F273 HydrophobicContact CG-CE2 4.34Å; F269-F273 HydrophobicContact CZ-CD2 4.07Å; F269-F273 WeakPolarHBondContact O-CB 3.49Å; F269-F273 WeakPolarHBondContact O-CD2 3.44Å; F269-F273 PolarHBondContact O-N 2.98Å; F269-L277 HydrophobicContact CD1-CD1 4.46Å; F269-L277 HydrophobicContact CE1-CD1 4.17Å; F269-L277 HydrophobicContact CE1-CD2 4.26Å; F269-F453 HydrophobicContact CD1-CE1 4.37Å; F269-F453 HydrophobicContact CD1-CZ 4.46Å
270	S	90.3	Very high	89.3	Confident	3 Å²	3	24.1 Å²	24.1	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	-57.2	-39.6	177.2	-30.6	0	0	0	0	111.9	L266 A267 H274 F453	L266-S270 PolarHBondContact O-N 2.99Å; L266-S270 PolarHBondContact O-OG 2.65Å; A267-S270 PolarHBondContact O-N 3.42Å; S270-H274 VanDerWaalsContact O-CA 3.27Å; S270-H274 WeakPolarHBondContact O-CA 3.47Å; S270-H274 PolarHBondContact O-N 3.37Å; S270-F453 WeakPolarHBondContact OG-CE2 3.34Å; S270-F453 WeakPolarHBondContact OG-CZ 3.4Å
271	F	92.4	Very high	88.4	Confident	8 Å²	8	23 Å²	23	4%	0.035	11%	0.109	C	C	.	.	H	α-helix	trans	-72	-52.6	180	-178.7	-126.5	0	0	0	110.8	A267 K268 F269 F273 H274 F297 I301 L315 V350 L430	A267-F271 WeakPolarHBondContact O-CB 3.44Å; A267-F271 PolarHBondContact O-N 3.31Å; A267-F271 VanDerWaalsContact O-N 3.08Å; K268-F271 PolarHBondContact O-N 3.17Å; F269-F271 PolarHBondContact O-N 3.05Å; F271-F273 VanDerWaalsContact C-N 3.25Å; F271-F273 PolarHBondContact O-N 2.86Å; F271-H274 WeakPolarHBondContact O-CB 3.42Å; F271-H274 PolarHBondContact O-N 3.49Å; F271-F297 HydrophobicContact CB-CB 4.1Å; F271-F297 HydrophobicContact CB-CD2 3.9Å; F271-F297 HydrophobicContact CB-CG 4.32Å; F271-F297 HydrophobicContact CD1-CB 4.21Å; F271-F297 HydrophobicContact CD1-CD2 4.4Å; F271-F297 HydrophobicContact CD1-CG 4.28Å; F271-F297 HydrophobicContact CD2-CB 3.83Å; F271-F297 HydrophobicContact CE2-CB 4.34Å; F271-F297 HydrophobicContact CG-CB 3.78Å; F271-F297 HydrophobicContact CG-CD2 4.24Å; F271-F297 HydrophobicContact CG-CG 4.19Å; F271-I301 HydrophobicContact CD2-CD1 4.49Å; F271-I301 HydrophobicContact CE2-CD1 3.38Å; F271-I301 HydrophobicContact CZ-CD1 3.46Å; F271-I301 VanDerWaalsContact CZ-CD1 3.46Å; F271-L315 HydrophobicContact CD1-CD2 4.22Å; F271-L315 HydrophobicContact CE1-CD2 3.8Å; F271-L315 HydrophobicContact CZ-CB 4.35Å; F271-L315 HydrophobicContact CZ-CD2 4.32Å; F271-V350 HydrophobicContact CD2-CG1 4.45Å; F271-V350 HydrophobicContact CD2-CG2 4.19Å; F271-V350 HydrophobicContact CE2-CB 4.29Å; F271-V350 HydrophobicContact CE2-CG1 3.88Å; F271-V350 HydrophobicContact CE2-CG2 4.04Å; F271-V350 HydrophobicContact CZ-CG2 4.43Å; F271-V350 WeakPolarHBondContact O-CG2 3.24Å; F271-L430 HydrophobicContact CD1-CD2 3.89Å; F271-L430 HydrophobicContact CE1-CD1 4.07Å; F271-L430 HydrophobicContact CE1-CD2 4.26Å
272	Y	92.7	Very high	87.7	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-69.1	-24.8	-172.7	-77.7	24.6	0	0	0	113.2	V204 W207 K268 F269 L315 E399 F402 L430	V204-Y272 HydrophobicContact CG1-CD2 3.65Å; V204-Y272 HydrophobicContact CG1-CE2 4.19Å; V204-Y272 HydrophobicContact CG1-CG 4.25Å; W207-Y272 PolarHBondContact NE1-O 3.29Å; W207-Y272 VanDerWaalsContact NE1-O 3.12Å; K268-Y272 VanDerWaalsContact CE-CE2 3.47Å; K268-Y272 VanDerWaalsContact CE-CZ 3.47Å; K268-Y272 HydrophobicContact CG-CD1 4.15Å; K268-Y272 HydrophobicContact CG-CD2 4.49Å; K268-Y272 HydrophobicContact CG-CE1 4.04Å; K268-Y272 HydrophobicContact CG-CE2 4.34Å; K268-Y272 HydrophobicContact CG-CG 4.4Å; K268-Y272 WeakPolarHBondContact O-CB 3.44Å; K268-Y272 WeakPolarHBondContact O-CD1 3.5Å; K268-Y272 PolarHBondContact O-N 3.08Å; F269-Y272 PolarHBondContact O-N 3.32Å; Y272-L315 HydrophobicContact CD1-CD2 3.42Å; Y272-L315 VanDerWaalsContact CD1-CD2 3.42Å; Y272-L315 HydrophobicContact CE1-CD2 3.48Å; Y272-L315 VanDerWaalsContact CE1-CD2 3.48Å; Y272-L315 HydrophobicContact CG-CD2 4.01Å; Y272-E399 WeakPolarHBondContact CE2-OE2 3.48Å; Y272-E399 PolarHBondContact OH-OE2 2.91Å; Y272-F402 HydrophobicContact CD2-CD1 4.33Å; Y272-F402 HydrophobicContact CD2-CD2 4.29Å; Y272-F402 AromaticContact CD2-CE1 3.79Å; Y272-F402 HydrophobicContact CD2-CE1 3.79Å; Y272-F402 AromaticContact CD2-CE2 3.75Å; Y272-F402 HydrophobicContact CD2-CE2 3.75Å; Y272-F402 AromaticContact CD2-CZ 3.47Å; Y272-F402 HydrophobicContact CD2-CZ 3.47Å; Y272-F402 VanDerWaalsContact CD2-CZ 3.47Å; Y272-F402 HydrophobicContact CE2-CD1 4.05Å; Y272-F402 AromaticContact CE2-CD2 3.57Å; Y272-F402 HydrophobicContact CE2-CD2 3.57Å; Y272-F402 AromaticContact CE2-CE1 3.94Å; Y272-F402 HydrophobicContact CE2-CE1 3.94Å; Y272-F402 AromaticContact CE2-CE2 3.44Å; Y272-F402 HydrophobicContact CE2-CE2 3.44Å; Y272-F402 VanDerWaalsContact CE2-CE2 3.44Å; Y272-F402 AromaticContact CE2-CG 3.86Å; Y272-F402 HydrophobicContact CE2-CG 3.86Å; Y272-F402 AromaticContact CE2-CZ 3.63Å; Y272-F402 HydrophobicContact CE2-CZ 3.63Å; Y272-F402 HydrophobicContact CG-CE1 4.45Å; Y272-F402 HydrophobicContact CG-CZ 4.46Å; Y272-L430 HydrophobicContact CE1-CD1 4.23Å; Y272-L430 HydrophobicContact CE1-CD2 3.61Å; Y272-L430 HydrophobicContact CE1-CG 4.47Å
273	F	90.2	Very high	86.9	Confident	4 Å²	4	30.8 Å²	30.8	2%	0.018	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	23.2	178.3	-57	-69.5	0	0	0	112.4	V204 W207 F209 F269 F271 E275 A276 L277	V204-F273 HydrophobicContact CG2-CE2 4.25Å; W207-F273 AromaticContact CD1-CD1 3.87Å; W207-F273 AromaticContact CD1-CE1 3.31Å; W207-F273 AromaticContact CD1-CZ 3.91Å; W207-F273 HydrophobicContact CD2-CE1 4.33Å; W207-F273 AromaticContact CG-CE1 3.85Å; W207-F273 HydrophobicContact CG-CE1 3.85Å; W207-F273 HydrophobicContact CG-CZ 4.44Å; W207-F273 AromaticContact NE1-CD1 3.58Å; W207-F273 AromaticContact NE1-CE1 3.49Å; F209-F273 HydrophobicContact CB-CD1 3.9Å; F209-F273 HydrophobicContact CB-CE1 3.75Å; F209-F273 HydrophobicContact CB-CZ 4.27Å; F209-F273 HydrophobicContact CD2-CB 3.66Å; F209-F273 AromaticContact CD2-CD1 3.66Å; F209-F273 HydrophobicContact CD2-CD1 3.66Å; F209-F273 HydrophobicContact CD2-CD2 4.01Å; F209-F273 HydrophobicContact CD2-CE1 4.26Å; F209-F273 AromaticContact CD2-CG 3.52Å; F209-F273 HydrophobicContact CD2-CG 3.52Å; F209-F273 HydrophobicContact CE2-CB 3.91Å; F209-F273 HydrophobicContact CE2-CG 4.23Å; F209-F273 HydrophobicContact CG-CD1 4.24Å; F209-F273 HydrophobicContact CG-CG 4.49Å; F269-F273 HydrophobicContact CB-CD2 4.49Å; F269-F273 HydrophobicContact CD1-CD2 4.43Å; F269-F273 AromaticContact CD2-CD2 3.33Å; F269-F273 HydrophobicContact CD2-CD2 3.33Å; F269-F273 AromaticContact CD2-CE2 3.49Å; F269-F273 HydrophobicContact CD2-CE2 3.49Å; F269-F273 VanDerWaalsContact CD2-CE2 3.49Å; F269-F273 AromaticContact CE2-CD2 3.45Å; F269-F273 HydrophobicContact CE2-CD2 3.45Å; F269-F273 VanDerWaalsContact CE2-CD2 3.45Å; F269-F273 AromaticContact CE2-CE2 3.7Å; F269-F273 HydrophobicContact CE2-CE2 3.7Å; F269-F273 HydrophobicContact CE2-CG 4.34Å; F269-F273 AromaticContact CG-CD2 3.85Å; F269-F273 HydrophobicContact CG-CD2 3.85Å; F269-F273 HydrophobicContact CG-CE2 4.34Å; F269-F273 HydrophobicContact CZ-CD2 4.07Å; F269-F273 WeakPolarHBondContact O-CB 3.49Å; F269-F273 WeakPolarHBondContact O-CD2 3.44Å; F269-F273 PolarHBondContact O-N 2.98Å; F271-F273 VanDerWaalsContact C-N 3.25Å; F271-F273 PolarHBondContact O-N 2.86Å; F273-E275 VanDerWaalsContact C-N 3.26Å; F273-E275 PolarHBondContact O-N 3.2Å; F273-A276 HydrophobicContact CB-CB 4.5Å; F273-A276 PolarHBondContact O-N 3Å; F273-A276 VanDerWaalsContact O-N 3.09Å; F273-L277 WeakPolarHBondContact O-CG 3.34Å; F273-L277 PolarHBondContact O-N 2.72Å
274	H	86.2	Confident	86.4	Confident	29 Å²	29	34.3 Å²	34.3	13%	0.134	19%	0.192	C	C	.	.	H	α-helix	trans	-50.6	-47.1	-177.9	177.8	-81.1	0	0	0	111.9	S270 F271 A276 L277 S278 M286 F298 V350	S270-H274 VanDerWaalsContact O-CA 3.27Å; S270-H274 WeakPolarHBondContact O-CA 3.47Å; S270-H274 PolarHBondContact O-N 3.37Å; F271-H274 WeakPolarHBondContact O-CB 3.42Å; F271-H274 PolarHBondContact O-N 3.49Å; H274-A276 PolarHBondContact O-N 3.48Å; H274-L277 PolarHBondContact O-N 2.89Å; H274-S278 WeakPolarHBondContact O-CB 3.47Å; H274-S278 PolarHBondContact O-N 2.9Å; H274-S278 PolarHBondContact O-OG 2.81Å; H274-M286 HydrophobicContact CB-CE 4.25Å; H274-M286 WeakPolarHBondContact CD2-CE 3.43Å; H274-F298 AromaticContact CD2-CD2 3.51Å; H274-F298 AromaticContact CD2-CE2 3.51Å; H274-F298 AromaticContact CE1-CE2 3.54Å; H274-F298 AromaticContact NE2-CD2 3.57Å; H274-F298 AromaticContact NE2-CE2 3.11Å; H274-F298 WeakPolarHBondContact NE2-CE2 3.4Å; H274-F298 AromaticContact NE2-CZ 3.79Å; H274-V350 HydrophobicContact CB-CG2 4.31Å
275	E	83	Confident	85.7	Confident	44 Å²	44	37.4 Å²	37.4	21%	0.206	21%	0.206	C	C	.	.	H	α-helix	trans	-63.6	-42.1	-179.6	-175.1	-179.9	172.4	0	0	113.1	F273 L277 S278 R279 H328	F273-E275 VanDerWaalsContact C-N 3.26Å; F273-E275 PolarHBondContact O-N 3.2Å; E275-L277 VanDerWaalsContact C-N 3.29Å; E275-L277 PolarHBondContact O-N 3.13Å; E275-S278 WeakPolarHBondContact CA-OG 3.04Å; E275-S278 PolarHBondContact O-N 3Å; E275-S278 PolarHBondContact O-OG 3.07Å; E275-S278 VanDerWaalsContact O-OG 3.1Å; E275-R279 VanDerWaalsContact O-CG 3.28Å; E275-R279 WeakPolarHBondContact O-CG 3.11Å; E275-R279 PolarHBondContact O-N 3.16Å; E275-R279 IonicContact OE1-CZ 3.53Å; E275-R279 IonicContact OE1-NE 3.61Å; E275-R279 IonicContact OE1-NH2 3.18Å; E275-R279 PolarHBondContact OE1-NH2 2.96Å; E275-H328 IonicContact OE2-CE1 3.87Å; E275-H328 PolarHBondContact OE2-CE1 2.99Å; E275-H328 IonicContact OE2-CG 3.95Å; E275-H328 IonicContact OE2-ND1 3.94Å; E275-H328 PolarHBondContact OE2-ND1 2.93Å; E275-H328 IonicContact OE2-NE2 2.69Å
276	A	84	Confident	85.1	Confident	5 Å²	5	37.7 Å²	37.7	4%	0.041	21%	0.207	C	C	.	.	H	α-helix	trans	-65.9	-36.5	177.9	0	0	0	0	0	111.4	F209 F273 H274 Q280	F209-A276 HydrophobicContact CD2-CB 4.39Å; F209-A276 HydrophobicContact CE2-CB 4.23Å; F273-A276 HydrophobicContact CB-CB 4.5Å; F273-A276 PolarHBondContact O-N 3Å; F273-A276 VanDerWaalsContact O-N 3.09Å; H274-A276 PolarHBondContact O-N 3.48Å; A276-Q280 WeakPolarHBondContact O-CG 3.4Å; A276-Q280 PolarHBondContact O-NE2 2.99Å
277	L	84.3	Confident	84.5	Confident	8 Å²	8	44.7 Å²	44.7	4%	0.042	24%	0.237	C	C	.	.	H	α-helix	trans	-73.1	-43.7	177	-66.4	171.1	0	0	0	111.6	F209 F269 F273 H274 E275 R279 Q280 T281 M286 L289 F453	F209-L277 HydrophobicContact CE2-CD2 4.17Å; F209-L277 HydrophobicContact CE2-CG 4.46Å; F209-L277 HydrophobicContact CZ-CD2 4.32Å; F269-L277 HydrophobicContact CD1-CD1 4.46Å; F269-L277 HydrophobicContact CE1-CD1 4.17Å; F269-L277 HydrophobicContact CE1-CD2 4.26Å; F273-L277 WeakPolarHBondContact O-CG 3.34Å; F273-L277 PolarHBondContact O-N 2.72Å; H274-L277 PolarHBondContact O-N 2.89Å; E275-L277 VanDerWaalsContact C-N 3.29Å; E275-L277 PolarHBondContact O-N 3.13Å; L277-R279 VanDerWaalsContact C-N 3.3Å; L277-R279 PolarHBondContact O-N 2.87Å; L277-Q280 PolarHBondContact O-N 3.22Å; L277-Q280 VanDerWaalsContact O-N 3.08Å; L277-T281 WeakPolarHBondContact O-CB 3.39Å; L277-T281 WeakPolarHBondContact O-CG2 3.45Å; L277-T281 PolarHBondContact O-N 3.35Å; L277-T281 PolarHBondContact O-OG1 2.82Å; L277-M286 HydrophobicContact CB-CE 3.7Å; L277-M286 HydrophobicContact CB-SD 3.81Å; L277-M286 HydrophobicContact CD1-CE 4.22Å; L277-L289 HydrophobicContact CD1-CD2 4.4Å; L277-F453 HydrophobicContact CD1-CZ 4.48Å
278	S	81.1	Confident	83.9	Confident	44 Å²	44	47.9 Å²	47.9	31%	0.308	26%	0.257	S	S	.	.	H	α-helix	trans	-66.4	-31.2	-178.3	67.2	0	0	0	0	112.6	H274 E275 Q280	H274-S278 WeakPolarHBondContact O-CB 3.47Å; H274-S278 PolarHBondContact O-N 2.9Å; H274-S278 PolarHBondContact O-OG 2.81Å; E275-S278 WeakPolarHBondContact CA-OG 3.04Å; E275-S278 PolarHBondContact O-N 3Å; E275-S278 PolarHBondContact O-OG 3.07Å; E275-S278 VanDerWaalsContact O-OG 3.1Å; S278-Q280 PolarHBondContact O-N 3.37Å
279	R	81.9	Confident	83	Confident	177 Å²	177	48.4 Å²	48.4	67%	0.668	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.2	174.5	-73	174.4	-177.2	-157.6	1.3	113.8	E275 L277	E275-R279 VanDerWaalsContact O-CG 3.28Å; E275-R279 WeakPolarHBondContact O-CG 3.11Å; E275-R279 PolarHBondContact O-N 3.16Å; E275-R279 IonicContact OE1-CZ 3.53Å; E275-R279 IonicContact OE1-NE 3.61Å; E275-R279 IonicContact OE1-NH2 3.18Å; E275-R279 PolarHBondContact OE1-NH2 2.96Å; L277-R279 VanDerWaalsContact C-N 3.3Å; L277-R279 PolarHBondContact O-N 2.87Å
280	Q	76.1	Confident	82.3	Confident	89 Å²	89	48.9 Å²	48.9	42%	0.416	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	3.1	-173.1	-62.9	-175.7	58.8	0	0	112.9	A276 L277 S278 Y460	A276-Q280 WeakPolarHBondContact O-CG 3.4Å; A276-Q280 PolarHBondContact O-NE2 2.99Å; L277-Q280 PolarHBondContact O-N 3.22Å; L277-Q280 VanDerWaalsContact O-N 3.08Å; S278-Q280 PolarHBondContact O-N 3.37Å; Q280-Y460 PolarHBondContact NE2-OH 3.14Å; Q280-Y460 PolarHBondContact OE1-OH 2.8Å
281	T	75.7	Confident	81.7	Confident	28 Å²	28	51.8 Å²	51.8	17%	0.172	29%	0.286	C	S	.	.	S	Bend	trans	-140.6	157.3	-170.3	64.6	0	0	0	0	108	L277 F456	L277-T281 WeakPolarHBondContact O-CB 3.39Å; L277-T281 WeakPolarHBondContact O-CG2 3.45Å; L277-T281 PolarHBondContact O-N 3.35Å; L277-T281 PolarHBondContact O-OG1 2.82Å; T281-F456 HydrophobicContact CG2-CD1 4.18Å; T281-F456 HydrophobicContact CG2-CE1 3.11Å; T281-F456 HydrophobicContact CG2-CZ 3.46Å; T281-F456 VanDerWaalsContact CG2-CZ 3.46Å
282	T	80.3	Confident	81	Confident	76 Å²	76	56 Å²	56	47%	0.466	31%	0.305	S	S	.	.			trans	-74.3	154.7	173.4	64.8	0	0	0	0	110.3	S284 E285 M286	T282-S284 PolarHBondContact O-N 2.96Å; T282-S284 VanDerWaalsContact O-N 3.16Å; T282-E285 WeakPolarHBondContact CB-OE2 3.36Å; T282-E285 WeakPolarHBondContact CG2-OE2 3.4Å; T282-E285 PolarHBondContact N-OE2 2.96Å; T282-E285 PolarHBondContact O-N 3.31Å; T282-E285 VanDerWaalsContact O-N 3.11Å; T282-E285 WeakPolarHBondContact OG1-CB 3.36Å; T282-E285 WeakPolarHBondContact OG1-CG 3.13Å; T282-E285 PolarHBondContact OG1-N 2.9Å; T282-E285 PolarHBondContact OG1-OE2 3.35Å; T282-M286 PolarHBondContact O-N 2.83Å
283	A	78	Confident	80.5	Confident	89 Å²	89	56.8 Å²	56.8	74%	0.736	31%	0.311	S	S	*	.	H	α-helix	trans	-56.3	-34.1	177	0	0	0	0	0	112.9	K287	A283-K287 VanDerWaalsContact O-CB 3.31Å; A283-K287 WeakPolarHBondContact O-CB 3.46Å; A283-K287 PolarHBondContact O-N 2.76Å
284	S	80.5	Confident	80.1	Confident	87 Å²	87	60.1 Å²	60.1	61%	0.608	33%	0.329	S	S	*	.	H	α-helix	trans	-68	-44.4	176.6	-174.7	0	0	0	0	112.4	T282 K287 T288	T282-S284 PolarHBondContact O-N 2.96Å; T282-S284 VanDerWaalsContact O-N 3.16Å; S284-K287 PolarHBondContact O-N 2.99Å; S284-T288 WeakPolarHBondContact O-CB 3.3Å; S284-T288 PolarHBondContact O-N 3.04Å; S284-T288 PolarHBondContact O-OG1 3.11Å
285	E	78.8	Confident	80.1	Confident	81 Å²	81	60 Å²	60	38%	0.379	33%	0.331	S	S	.	.	H	α-helix	trans	-65.5	-44.4	176.2	-71.3	164.4	144	0	0	111	T282 K287 T288 L289 F456	T282-E285 WeakPolarHBondContact CB-OE2 3.36Å; T282-E285 WeakPolarHBondContact CG2-OE2 3.4Å; T282-E285 PolarHBondContact N-OE2 2.96Å; T282-E285 PolarHBondContact O-N 3.31Å; T282-E285 VanDerWaalsContact O-N 3.11Å; T282-E285 WeakPolarHBondContact OG1-CB 3.36Å; T282-E285 WeakPolarHBondContact OG1-CG 3.13Å; T282-E285 PolarHBondContact OG1-N 2.9Å; T282-E285 PolarHBondContact OG1-OE2 3.35Å; E285-K287 VanDerWaalsContact C-N 3.34Å; E285-K287 PolarHBondContact O-N 3.22Å; E285-T288 WeakPolarHBondContact O-CB 3.47Å; E285-T288 PolarHBondContact O-N 3.43Å; E285-L289 WeakPolarHBondContact O-CB 3.46Å; E285-L289 PolarHBondContact O-N 3.03Å; E285-F456 HydrophobicContact CB-CE1 4.26Å; E285-F456 HydrophobicContact CB-CE2 4.2Å; E285-F456 HydrophobicContact CB-CZ 3.61Å; E285-F456 HydrophobicContact CG-CE2 4.14Å; E285-F456 HydrophobicContact CG-CZ 4.02Å
286	M	80.8	Confident	80.4	Confident	7 Å²	7	60 Å²	60	3%	0.034	33%	0.333	C	S	.	.	H	α-helix	trans	-61.2	-43.1	178.2	-166.3	61.8	-169.2	0	0	111.5	H274 L277 T282 T288 L289 T290	H274-M286 HydrophobicContact CB-CE 4.25Å; H274-M286 WeakPolarHBondContact CD2-CE 3.43Å; L277-M286 HydrophobicContact CB-CE 3.7Å; L277-M286 HydrophobicContact CB-SD 3.81Å; L277-M286 HydrophobicContact CD1-CE 4.22Å; T282-M286 PolarHBondContact O-N 2.83Å; M286-T288 VanDerWaalsContact C-N 3.35Å; M286-T288 PolarHBondContact O-N 3.39Å; M286-L289 HydrophobicContact CE-CD2 3.91Å; M286-L289 WeakPolarHBondContact O-CB 3.22Å; M286-L289 PolarHBondContact O-N 3.38Å; M286-L289 HydrophobicContact SD-CD2 3.62Å; M286-T290 HydrophobicContact CE-CG2 4.03Å; M286-T290 WeakPolarHBondContact O-CG2 3.38Å; M286-T290 PolarHBondContact O-N 3.02Å; M286-T290 PolarHBondContact O-OG1 3.01Å
287	K	79.5	Confident	80.8	Confident	158 Å²	158	60 Å²	60	69%	0.687	33%	0.331	S	S	*	.	H	α-helix	trans	-62.5	-41.2	175.2	-174.4	178.5	-179.3	-179.7	0	112.3	A283 S284 E285 L289 T290 A291	A283-K287 VanDerWaalsContact O-CB 3.31Å; A283-K287 WeakPolarHBondContact O-CB 3.46Å; A283-K287 PolarHBondContact O-N 2.76Å; S284-K287 PolarHBondContact O-N 2.99Å; E285-K287 VanDerWaalsContact C-N 3.34Å; E285-K287 PolarHBondContact O-N 3.22Å; K287-L289 VanDerWaalsContact C-N 3.31Å; K287-T290 PolarHBondContact O-OG1 3.12Å; K287-T290 VanDerWaalsContact O-OG1 3.08Å; K287-A291 VanDerWaalsContact O-CB 3.23Å; K287-A291 WeakPolarHBondContact O-CB 3.34Å; K287-A291 PolarHBondContact O-N 3.24Å
288	T	79.5	Confident	81.1	Confident	68 Å²	68	61.8 Å²	61.8	42%	0.417	34%	0.339	S	S	.	.	H	α-helix	trans	-65.9	-38.6	176.2	-59	0	0	0	0	111.2	S284 E285 M286 K292	S284-T288 WeakPolarHBondContact O-CB 3.3Å; S284-T288 PolarHBondContact O-N 3.04Å; S284-T288 PolarHBondContact O-OG1 3.11Å; E285-T288 WeakPolarHBondContact O-CB 3.47Å; E285-T288 PolarHBondContact O-N 3.43Å; M286-T288 VanDerWaalsContact C-N 3.35Å; M286-T288 PolarHBondContact O-N 3.39Å; T288-K292 HydrophobicContact CG2-CD 4.25Å; T288-K292 WeakPolarHBondContact O-CG 3.48Å; T288-K292 PolarHBondContact O-N 3.38Å
289	L	73.8	Confident	81.5	Confident	12 Å²	12	60.6 Å²	60.6	6%	0.063	33%	0.334	C	S	.	.	H	α-helix	trans	-65	-49.3	179.4	-178.9	108.8	0	0	0	111.2	L277 E285 M286 K287 K292 A293 F453 F456	L277-L289 HydrophobicContact CD1-CD2 4.4Å; E285-L289 WeakPolarHBondContact O-CB 3.46Å; E285-L289 PolarHBondContact O-N 3.03Å; M286-L289 HydrophobicContact CE-CD2 3.91Å; M286-L289 WeakPolarHBondContact O-CB 3.22Å; M286-L289 PolarHBondContact O-N 3.38Å; M286-L289 HydrophobicContact SD-CD2 3.62Å; K287-L289 VanDerWaalsContact C-N 3.31Å; L289-K292 PolarHBondContact O-N 3.48Å; L289-A293 PolarHBondContact O-N 3.13Å; L289-F453 HydrophobicContact CD1-CD2 3.49Å; L289-F453 VanDerWaalsContact CD1-CD2 3.49Å; L289-F453 HydrophobicContact CD1-CE2 3.48Å; L289-F453 VanDerWaalsContact CD1-CE2 3.48Å; L289-F453 HydrophobicContact CD1-CG 4.03Å; L289-F453 HydrophobicContact CD1-CZ 4.04Å; L289-F453 HydrophobicContact CD2-CD2 4.11Å; L289-F453 HydrophobicContact CD2-CE2 3.31Å; L289-F453 HydrophobicContact CD2-CZ 3.83Å; L289-F453 HydrophobicContact CG-CD2 3.45Å; L289-F453 VanDerWaalsContact CG-CD2 3.45Å; L289-F453 HydrophobicContact CG-CE2 3.19Å; L289-F453 HydrophobicContact CG-CG 4.44Å; L289-F453 HydrophobicContact CG-CZ 4.06Å; L289-F456 HydrophobicContact CD1-CB 4.44Å; L289-F456 HydrophobicContact CD1-CD1 3.71Å; L289-F456 HydrophobicContact CD1-CE1 4.35Å; L289-F456 HydrophobicContact CD1-CG 4.46Å
290	T	79.4	Confident	82.1	Confident	9 Å²	9	57.1 Å²	57.1	6%	0.055	32%	0.323	C	S	.	.	H	α-helix	trans	-66.4	-40.3	177.6	55.5	0	0	0	0	111.8	M286 K287 K292 A293 F298	M286-T290 HydrophobicContact CE-CG2 4.03Å; M286-T290 WeakPolarHBondContact O-CG2 3.38Å; M286-T290 PolarHBondContact O-N 3.02Å; M286-T290 PolarHBondContact O-OG1 3.01Å; K287-T290 PolarHBondContact O-OG1 3.12Å; K287-T290 VanDerWaalsContact O-OG1 3.08Å; T290-K292 PolarHBondContact O-N 3.46Å; T290-A293 VanDerWaalsContact O-CB 3.22Å; T290-A293 WeakPolarHBondContact O-CB 3.41Å; T290-A293 PolarHBondContact O-N 3.19Å; T290-F298 HydrophobicContact CG2-CB 3.96Å; T290-F298 HydrophobicContact CG2-CD2 4.5Å; T290-F298 HydrophobicContact CG2-CG 4.18Å
291	A	77.4	Confident	83.1	Confident	64 Å²	64	53 Å²	53	53%	0.529	30%	0.304	S	S	.	.	H	α-helix	trans	-63.8	-27.5	178.7	0	0	0	0	0	113.4	K287	K287-A291 VanDerWaalsContact O-CB 3.23Å; K287-A291 WeakPolarHBondContact O-CB 3.34Å; K287-A291 PolarHBondContact O-N 3.24Å
292	K	78.1	Confident	84	Confident	98 Å²	98	53.4 Å²	53.4	43%	0.426	31%	0.308	S	S	.	.	H	α-helix	trans	-85.9	-12.4	175.3	-71.2	177.5	-178	178.2	0	112.8	T288 L289 T290 C450	T288-K292 HydrophobicContact CG2-CD 4.25Å; T288-K292 WeakPolarHBondContact O-CG 3.48Å; T288-K292 PolarHBondContact O-N 3.38Å; L289-K292 PolarHBondContact O-N 3.48Å; T290-K292 PolarHBondContact O-N 3.46Å; K292-C450 PolarHBondContact O-SG 3.36Å
293	A	82.5	Confident	84.7	Confident	15 Å²	15	52.2 Å²	52.2	12%	0.124	30%	0.303	C	S	.	.	S	Bend	trans	-65	141.2	175.9	0	0	0	0	0	110.1	A267 L289 T290 P295 D296	A267-A293 HydrophobicContact CB-CB 3.94Å; L289-A293 PolarHBondContact O-N 3.13Å; T290-A293 VanDerWaalsContact O-CB 3.22Å; T290-A293 WeakPolarHBondContact O-CB 3.41Å; T290-A293 PolarHBondContact O-N 3.19Å; A293-P295 CarbonylContact O-C 3.59Å; A293-P295 VanDerWaalsContact O-C 3.3Å; A293-D296 PolarHBondContact O-N 2.84Å; A293-D296 VanDerWaalsContact O-N 3.13Å
294	N	80.8	Confident	85.7	Confident	75 Å²	75	48.4 Å²	48.4	40%	0.401	27%	0.27	S	S	.	.	S	Bend	trans	-128.4	104.4	177.5	-171.5	4.9	0	0	0	109.8
295	P	86.5	Confident	86.5	Confident	27 Å²	27	45.2 Å²	45.2	18%	0.175	25%	0.245	C	C	.	.	S	Bend	cis	-78.4	152.5	4.8	32.9	-36.6	0	0	0	114.1	A267 A293 F297	A267-P295 WeakPolarHBondContact CB-O 3.35Å; A293-P295 CarbonylContact O-C 3.59Å; A293-P295 VanDerWaalsContact O-C 3.3Å; P295-F297 HydrophobicContact CG-CD1 4.28Å; P295-F297 HydrophobicContact CG-CD2 4.31Å; P295-F297 HydrophobicContact CG-CE1 3.7Å; P295-F297 HydrophobicContact CG-CE2 3.71Å; P295-F297 HydrophobicContact CG-CZ 3.38Å; P295-F297 PolarHBondContact O-N 3.15Å; P295-F297 VanDerWaalsContact O-N 3.12Å
296	D	89.1	Confident	87.3	Confident	44 Å²	44	50 Å²	50	24%	0.235	26%	0.26	C	S	.	.			trans	-79.4	89	171.4	178.9	10.1	0	0	0	110.3	A293 F298 G299 K300	A293-D296 PolarHBondContact O-N 2.84Å; A293-D296 VanDerWaalsContact O-N 3.13Å; D296-F298 PolarHBondContact OD1-N 3.45Å; D296-G299 PolarHBondContact OD1-N 3.23Å; D296-G299 WeakPolarHBondContact OD2-CA 3.29Å; D296-G299 PolarHBondContact OD2-N 2.92Å; D296-K300 WeakPolarHBondContact O-CB 3.23Å; D296-K300 VanDerWaalsContact O-CG 3.23Å; D296-K300 WeakPolarHBondContact O-CG 3.34Å; D296-K300 PolarHBondContact O-N 3.47Å
297	F	92.1	Very high	88.1	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.018	29%	0.289	C	S	.	.	H	α-helix	trans	-64.9	-39.7	178	-66.9	-64.9	0	0	0	112.4	A267 F271 P295 K300 I301 L426 A429 L430	A267-F297 HydrophobicContact CB-CD2 4.35Å; A267-F297 HydrophobicContact CB-CE2 4.08Å; F271-F297 HydrophobicContact CB-CB 4.1Å; F271-F297 HydrophobicContact CB-CD2 3.9Å; F271-F297 HydrophobicContact CB-CG 4.32Å; F271-F297 HydrophobicContact CD1-CB 4.21Å; F271-F297 HydrophobicContact CD1-CD2 4.4Å; F271-F297 HydrophobicContact CD1-CG 4.28Å; F271-F297 HydrophobicContact CD2-CB 3.83Å; F271-F297 HydrophobicContact CE2-CB 4.34Å; F271-F297 HydrophobicContact CG-CB 3.78Å; F271-F297 HydrophobicContact CG-CD2 4.24Å; F271-F297 HydrophobicContact CG-CG 4.19Å; P295-F297 HydrophobicContact CG-CD1 4.28Å; P295-F297 HydrophobicContact CG-CD2 4.31Å; P295-F297 HydrophobicContact CG-CE1 3.7Å; P295-F297 HydrophobicContact CG-CE2 3.71Å; P295-F297 HydrophobicContact CG-CZ 3.38Å; P295-F297 PolarHBondContact O-N 3.15Å; P295-F297 VanDerWaalsContact O-N 3.12Å; F297-K300 PolarHBondContact O-N 3.45Å; F297-I301 WeakPolarHBondContact O-CG1 3.37Å; F297-I301 PolarHBondContact O-N 3.09Å; F297-L426 HydrophobicContact CD1-CD1 3.46Å; F297-L426 VanDerWaalsContact CD1-CD1 3.46Å; F297-L426 HydrophobicContact CE1-CD1 3.99Å; F297-L426 HydrophobicContact CG-CD1 4.46Å; F297-A429 HydrophobicContact CE1-CB 3.69Å; F297-A429 HydrophobicContact CZ-CB 4.23Å; F297-L430 HydrophobicContact CD1-CD2 4.27Å; F297-L430 HydrophobicContact CD2-CD2 4.39Å; F297-L430 HydrophobicContact CE1-CD2 3.73Å; F297-L430 HydrophobicContact CE1-CG 4Å; F297-L430 HydrophobicContact CE2-CD2 3.88Å; F297-L430 HydrophobicContact CZ-CD2 3.51Å; F297-L430 HydrophobicContact CZ-CG 4.16Å
298	F	90.4	Very high	89	Confident	46 Å²	46	51.8 Å²	51.8	20%	0.202	27%	0.267	C	S	.	.	H	α-helix	trans	-69.1	-46.4	-175.4	-168	-86.2	0	0	0	111.9	H274 T290 D296 K300 I301 S302 L352	H274-F298 AromaticContact CD2-CD2 3.51Å; H274-F298 AromaticContact CD2-CE2 3.51Å; H274-F298 AromaticContact CE1-CE2 3.54Å; H274-F298 AromaticContact NE2-CD2 3.57Å; H274-F298 AromaticContact NE2-CE2 3.11Å; H274-F298 WeakPolarHBondContact NE2-CE2 3.4Å; H274-F298 AromaticContact NE2-CZ 3.79Å; T290-F298 HydrophobicContact CG2-CB 3.96Å; T290-F298 HydrophobicContact CG2-CD2 4.5Å; T290-F298 HydrophobicContact CG2-CG 4.18Å; D296-F298 PolarHBondContact OD1-N 3.45Å; F298-K300 VanDerWaalsContact C-N 3.31Å; F298-K300 PolarHBondContact O-N 2.91Å; F298-I301 PolarHBondContact O-N 3.19Å; F298-S302 WeakPolarHBondContact CE1-OG 3.42Å; F298-S302 VanDerWaalsContact O-CB 3.29Å; F298-S302 WeakPolarHBondContact O-CB 3.47Å; F298-S302 PolarHBondContact O-N 3.33Å; F298-S302 PolarHBondContact O-OG 3.29Å; F298-L352 HydrophobicContact CD2-CD1 3.77Å; F298-L352 HydrophobicContact CD2-CD2 4.22Å; F298-L352 HydrophobicContact CE1-CD2 4.31Å; F298-L352 HydrophobicContact CE2-CD1 3.66Å; F298-L352 HydrophobicContact CE2-CD2 3.26Å; F298-L352 HydrophobicContact CE2-CG 3.99Å; F298-L352 HydrophobicContact CG-CD1 4.34Å; F298-L352 HydrophobicContact CZ-CD1 4.09Å; F298-L352 HydrophobicContact CZ-CD2 3.3Å; F298-L352 HydrophobicContact CZ-CG 4.34Å
299	G	91.4	Very high	89.7	Confident	19 Å²	19	55.4 Å²	55.4	20%	0.196	28%	0.283	C	S	.	.	H	α-helix	trans	-64.8	-34.9	176.6	0	0	0	0	0	112.4	D296 S303	D296-G299 PolarHBondContact OD1-N 3.23Å; D296-G299 WeakPolarHBondContact OD2-CA 3.29Å; D296-G299 PolarHBondContact OD2-N 2.92Å; G299-S303 VanDerWaalsContact O-CB 3.22Å; G299-S303 WeakPolarHBondContact O-CB 3.35Å; G299-S303 PolarHBondContact O-N 3.12Å; G299-S303 PolarHBondContact O-OG 2.82Å
300	K	94.3	Very high	90.8	Very high	104 Å²	104	55 Å²	55	45%	0.452	28%	0.282	S	S	.	.	H	α-helix	trans	-63	-50.2	172.6	-78.3	178.9	179.2	-167.5	0	112.1	D296 F297 F298 S303 F304	D296-K300 WeakPolarHBondContact O-CB 3.23Å; D296-K300 VanDerWaalsContact O-CG 3.23Å; D296-K300 WeakPolarHBondContact O-CG 3.34Å; D296-K300 PolarHBondContact O-N 3.47Å; F297-K300 PolarHBondContact O-N 3.45Å; F298-K300 VanDerWaalsContact C-N 3.31Å; F298-K300 PolarHBondContact O-N 2.91Å; K300-S303 PolarHBondContact O-N 3.36Å; K300-F304 WeakPolarHBondContact O-CB 3.33Å; K300-F304 PolarHBondContact O-N 3.41Å
301	I	96.4	Very high	91.7	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.015	29%	0.293	C	S	.	.	H	α-helix	trans	-65.1	-46.8	179.2	-66.9	163.4	0	0	0	110.8	F271 F297 F298 S303 F304 I305 V313 L352 F422 L426	F271-I301 HydrophobicContact CD2-CD1 4.49Å; F271-I301 HydrophobicContact CE2-CD1 3.38Å; F271-I301 HydrophobicContact CZ-CD1 3.46Å; F271-I301 VanDerWaalsContact CZ-CD1 3.46Å; F297-I301 WeakPolarHBondContact O-CG1 3.37Å; F297-I301 PolarHBondContact O-N 3.09Å; F298-I301 PolarHBondContact O-N 3.19Å; I301-S303 VanDerWaalsContact C-N 3.26Å; I301-S303 PolarHBondContact O-N 2.94Å; I301-F304 WeakPolarHBondContact O-CB 3.36Å; I301-F304 PolarHBondContact O-N 3.27Å; I301-F304 VanDerWaalsContact O-N 3.1Å; I301-I305 HydrophobicContact CG2-CD1 3.79Å; I301-I305 HydrophobicContact CG2-CG1 4.38Å; I301-I305 WeakPolarHBondContact O-CG1 3.47Å; I301-I305 PolarHBondContact O-N 3.31Å; I301-V313 HydrophobicContact CG2-CB 3.61Å; I301-V313 HydrophobicContact CG2-CG1 3.72Å; I301-V313 HydrophobicContact CG2-CG2 4.01Å; I301-L352 HydrophobicContact CB-CD1 4.08Å; I301-L352 HydrophobicContact CG2-CB 4.31Å; I301-L352 HydrophobicContact CG2-CD1 3.68Å; I301-F422 HydrophobicContact CG1-CZ 4.02Å; I301-L426 HydrophobicContact CD1-CD2 4.01Å; I301-L426 HydrophobicContact CG1-CD2 3.99Å
302	S	94.3	Very high	92.6	Very high	35 Å²	35	53.4 Å²	53.4	25%	0.245	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-37.5	177	-66.1	0	0	0	0	112.6	F298 R306	F298-S302 WeakPolarHBondContact CE1-OG 3.42Å; F298-S302 VanDerWaalsContact O-CB 3.29Å; F298-S302 WeakPolarHBondContact O-CB 3.47Å; F298-S302 PolarHBondContact O-N 3.33Å; F298-S302 PolarHBondContact O-OG 3.29Å; S302-R306 PolarHBondContact O-N 2.94Å
303	S	95.9	Very high	93.6	Very high	52 Å²	52	49 Å²	49	36%	0.364	25%	0.25	S	C	.	.	H	α-helix	trans	-72.5	-35.1	175.9	-62.7	0	0	0	0	112.6	G299 K300 I301 R306 K307	G299-S303 VanDerWaalsContact O-CB 3.22Å; G299-S303 WeakPolarHBondContact O-CB 3.35Å; G299-S303 PolarHBondContact O-N 3.12Å; G299-S303 PolarHBondContact O-OG 2.82Å; K300-S303 PolarHBondContact O-N 3.36Å; I301-S303 VanDerWaalsContact C-N 3.26Å; I301-S303 PolarHBondContact O-N 2.94Å; S303-R306 PolarHBondContact OG-NH2 3.27Å; S303-K307 WeakPolarHBondContact O-CB 3.39Å; S303-K307 PolarHBondContact O-N 2.91Å
304	F	97.8	Very high	94.3	Very high	9 Å²	9	48.3 Å²	48.3	4%	0.039	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-49.3	173	176.4	-86	0	0	0	111.5	K300 I301 R306 K307 Y308 A310 V313 V406 F408 F419 F422	K300-F304 WeakPolarHBondContact O-CB 3.33Å; K300-F304 PolarHBondContact O-N 3.41Å; I301-F304 WeakPolarHBondContact O-CB 3.36Å; I301-F304 PolarHBondContact O-N 3.27Å; I301-F304 VanDerWaalsContact O-N 3.1Å; F304-R306 PolarHBondContact O-N 3.45Å; F304-K307 PolarHBondContact O-N 2.88Å; F304-K307 VanDerWaalsContact O-N 3.14Å; F304-Y308 HydrophobicContact CD1-CD2 4.47Å; F304-Y308 AromaticContact CD2-CD2 3.48Å; F304-Y308 HydrophobicContact CD2-CD2 3.48Å; F304-Y308 VanDerWaalsContact CD2-CD2 3.48Å; F304-Y308 AromaticContact CD2-CE2 3.62Å; F304-Y308 HydrophobicContact CD2-CE2 3.62Å; F304-Y308 HydrophobicContact CE1-CD2 4.44Å; F304-Y308 AromaticContact CE2-CD2 3.48Å; F304-Y308 HydrophobicContact CE2-CD2 3.48Å; F304-Y308 VanDerWaalsContact CE2-CD2 3.48Å; F304-Y308 AromaticContact CE2-CE2 3.7Å; F304-Y308 HydrophobicContact CE2-CE2 3.7Å; F304-Y308 HydrophobicContact CE2-CG 4.48Å; F304-Y308 HydrophobicContact CG-CD2 4.01Å; F304-Y308 HydrophobicContact CG-CE2 4.47Å; F304-Y308 AromaticContact CZ-CD2 3.99Å; F304-Y308 HydrophobicContact CZ-CD2 3.99Å; F304-Y308 WeakPolarHBondContact O-CD2 3.36Å; F304-Y308 PolarHBondContact O-N 3.18Å; F304-A310 HydrophobicContact CD1-CB 4.49Å; F304-A310 HydrophobicContact CE1-CB 4.13Å; F304-V313 HydrophobicContact CD1-CG2 4.38Å; F304-V406 HydrophobicContact CE1-CG1 3.72Å; F304-V406 HydrophobicContact CE1-CG2 4.42Å; F304-V406 HydrophobicContact CZ-CG1 4.25Å; F304-F408 HydrophobicContact CE1-CZ 4.17Å; F304-F408 HydrophobicContact CZ-CZ 4.15Å; F304-F419 AromaticContact CE2-CD1 3.81Å; F304-F419 HydrophobicContact CE2-CD1 3.81Å; F304-F419 HydrophobicContact CE2-CE1 4.44Å; F304-F419 AromaticContact CZ-CD1 3.54Å; F304-F419 HydrophobicContact CZ-CD1 3.54Å; F304-F419 HydrophobicContact CZ-CE1 4.09Å; F304-F419 HydrophobicContact CZ-CG 4.43Å; F304-F422 HydrophobicContact CB-CD2 4.14Å; F304-F422 HydrophobicContact CB-CE1 4.24Å; F304-F422 HydrophobicContact CB-CE2 3.67Å; F304-F422 HydrophobicContact CB-CZ 3.72Å; F304-F422 HydrophobicContact CD1-CD1 4.18Å; F304-F422 AromaticContact CD1-CE1 3.84Å; F304-F422 HydrophobicContact CD1-CE1 3.84Å; F304-F422 HydrophobicContact CD1-CZ 4.14Å; F304-F422 HydrophobicContact CD2-CB 3.84Å; F304-F422 AromaticContact CD2-CD1 3.45Å; F304-F422 HydrophobicContact CD2-CD1 3.45Å; F304-F422 VanDerWaalsContact CD2-CD1 3.45Å; F304-F422 AromaticContact CD2-CD2 3.56Å; F304-F422 HydrophobicContact CD2-CD2 3.56Å; F304-F422 AromaticContact CD2-CE1 3.82Å; F304-F422 HydrophobicContact CD2-CE1 3.82Å; F304-F422 AromaticContact CD2-CE2 3.91Å; F304-F422 HydrophobicContact CD2-CE2 3.91Å; F304-F422 AromaticContact CD2-CG 3.3Å; F304-F422 HydrophobicContact CD2-CG 3.3Å; F304-F422 HydrophobicContact CD2-CZ 4.03Å; F304-F422 HydrophobicContact CE1-CD1 4.17Å; F304-F422 HydrophobicContact CE1-CE1 4.13Å; F304-F422 HydrophobicContact CE2-CB 3.69Å; F304-F422 AromaticContact CE2-CD1 3.42Å; F304-F422 HydrophobicContact CE2-CD1 3.42Å; F304-F422 VanDerWaalsContact CE2-CD1 3.42Å; F304-F422 HydrophobicContact CE2-CD2 4.25Å; F304-F422 HydrophobicContact CE2-CE1 4.09Å; F304-F422 AromaticContact CE2-CG 3.51Å; F304-F422 HydrophobicContact CE2-CG 3.51Å; F304-F422 AromaticContact CG-CD1 3.84Å; F304-F422 HydrophobicContact CG-CD1 3.84Å; F304-F422 HydrophobicContact CG-CD2 4.03Å; F304-F422 AromaticContact CG-CE1 3.68Å; F304-F422 HydrophobicContact CG-CE1 3.68Å; F304-F422 AromaticContact CG-CE2 3.87Å; F304-F422 HydrophobicContact CG-CE2 3.87Å; F304-F422 HydrophobicContact CG-CG 4Å; F304-F422 AromaticContact CG-CZ 3.69Å; F304-F422 HydrophobicContact CG-CZ 3.69Å; F304-F422 AromaticContact CZ-CD1 3.8Å; F304-F422 HydrophobicContact CZ-CD1 3.8Å; F304-F422 HydrophobicContact CZ-CE1 4.23Å; F304-F422 HydrophobicContact CZ-CG 4.35Å
305	I	97.3	Very high	95	Very high	19 Å²	19	44.8 Å²	44.8	10%	0.097	23%	0.226	C	C	.	.	H	α-helix	trans	-53.8	-53.7	177.4	-72.4	164.8	0	0	0	110.3	I301 K307 Y308 D309 A310 V313 L352	I301-I305 HydrophobicContact CG2-CD1 3.79Å; I301-I305 HydrophobicContact CG2-CG1 4.38Å; I301-I305 WeakPolarHBondContact O-CG1 3.47Å; I301-I305 PolarHBondContact O-N 3.31Å; I305-K307 VanDerWaalsContact C-N 3.29Å; I305-K307 PolarHBondContact O-N 3.38Å; I305-Y308 PolarHBondContact O-N 2.85Å; I305-D309 WeakPolarHBondContact O-CA 3.34Å; I305-D309 PolarHBondContact O-N 2.91Å; I305-A310 HydrophobicContact CG1-CB 4.33Å; I305-A310 WeakPolarHBondContact CG2-O 3.48Å; I305-A310 PolarHBondContact O-N 3.43Å; I305-V313 HydrophobicContact CD1-CB 4.23Å; I305-V313 HydrophobicContact CD1-CG2 4.01Å; I305-V313 HydrophobicContact CG1-CG2 3.76Å; I305-L352 HydrophobicContact CD1-CB 3.62Å; I305-L352 WeakPolarHBondContact CD1-O 3.13Å
306	R	96.8	Very high	95.4	Very high	183 Å²	183	43.5 Å²	43.5	69%	0.691	22%	0.217	S	C	*	.	H	α-helix	trans	-61.4	-35.5	179.6	-177.5	178.4	63.8	-96.9	-1.8	113.1	S302 S303 F304	S302-R306 PolarHBondContact O-N 2.94Å; S303-R306 PolarHBondContact OG-NH2 3.27Å; F304-R306 PolarHBondContact O-N 3.45Å
307	K	97.6	Very high	95.5	Very high	147 Å²	147	41.6 Å²	41.6	64%	0.639	21%	0.207	S	C	*	.	H	α-helix	trans	-74.8	-37	-175.6	-177.3	176.2	179.5	-166.7	0	112.5	S303 F304 I305	S303-K307 WeakPolarHBondContact O-CB 3.39Å; S303-K307 PolarHBondContact O-N 2.91Å; F304-K307 PolarHBondContact O-N 2.88Å; F304-K307 VanDerWaalsContact O-N 3.14Å; I305-K307 VanDerWaalsContact C-N 3.29Å; I305-K307 PolarHBondContact O-N 3.38Å
308	Y	96.9	Very high	95.3	Very high	55 Å²	55	42 Å²	42	22%	0.216	21%	0.21	C	C	.	.	H	α-helix	trans	-115.7	3.2	-170.5	-60.1	-67.4	0	0	0	114.2	F304 I305 A310 F408 H418 F419	F304-Y308 HydrophobicContact CD1-CD2 4.47Å; F304-Y308 AromaticContact CD2-CD2 3.48Å; F304-Y308 HydrophobicContact CD2-CD2 3.48Å; F304-Y308 VanDerWaalsContact CD2-CD2 3.48Å; F304-Y308 AromaticContact CD2-CE2 3.62Å; F304-Y308 HydrophobicContact CD2-CE2 3.62Å; F304-Y308 HydrophobicContact CE1-CD2 4.44Å; F304-Y308 AromaticContact CE2-CD2 3.48Å; F304-Y308 HydrophobicContact CE2-CD2 3.48Å; F304-Y308 VanDerWaalsContact CE2-CD2 3.48Å; F304-Y308 AromaticContact CE2-CE2 3.7Å; F304-Y308 HydrophobicContact CE2-CE2 3.7Å; F304-Y308 HydrophobicContact CE2-CG 4.48Å; F304-Y308 HydrophobicContact CG-CD2 4.01Å; F304-Y308 HydrophobicContact CG-CE2 4.47Å; F304-Y308 AromaticContact CZ-CD2 3.99Å; F304-Y308 HydrophobicContact CZ-CD2 3.99Å; F304-Y308 WeakPolarHBondContact O-CD2 3.36Å; F304-Y308 PolarHBondContact O-N 3.18Å; I305-Y308 PolarHBondContact O-N 2.85Å; Y308-A310 VanDerWaalsContact C-N 3.31Å; Y308-A310 PolarHBondContact O-N 3.2Å; Y308-F408 WeakPolarHBondContact O-CE1 3.33Å; Y308-H418 AromaticContact CD1-CD2 3.84Å; Y308-H418 AromaticContact CD1-NE2 3.96Å; Y308-H418 AromaticContact CE1-CD2 3.34Å; Y308-H418 WeakPolarHBondContact CE1-CD2 3.28Å; Y308-H418 AromaticContact CE1-NE2 3.78Å; Y308-H418 AromaticContact CZ-CD2 3.56Å; Y308-F419 AromaticContact CD1-CE1 3.86Å; Y308-F419 HydrophobicContact CD1-CE1 3.86Å; Y308-F419 HydrophobicContact CD2-CE1 4.16Å; Y308-F419 HydrophobicContact CE1-CE1 4.47Å; Y308-F419 AromaticContact CG-CE1 3.69Å; Y308-F419 HydrophobicContact CG-CE1 3.69Å
309	D	95.7	Very high	94.8	Very high	143 Å²	143	40.1 Å²	40.1	77%	0.765	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	47.9	-179.1	-160.6	36.2	0	0	0	111.8	I305	I305-D309 WeakPolarHBondContact O-CA 3.34Å; I305-D309 PolarHBondContact O-N 2.91Å
310	A	97.3	Very high	94	Very high	4 Å²	4	44 Å²	44	3%	0.033	21%	0.21	C	C	.	.			trans	-74.1	130.8	173.3	0	0	0	0	0	109	F304 I305 Y308 N312 V406 F408	F304-A310 HydrophobicContact CD1-CB 4.49Å; F304-A310 HydrophobicContact CE1-CB 4.13Å; I305-A310 HydrophobicContact CG1-CB 4.33Å; I305-A310 WeakPolarHBondContact CG2-O 3.48Å; I305-A310 PolarHBondContact O-N 3.43Å; Y308-A310 VanDerWaalsContact C-N 3.31Å; Y308-A310 PolarHBondContact O-N 3.2Å; A310-N312 VanDerWaalsContact C-N 3.31Å; A310-N312 PolarHBondContact O-N 3.05Å; A310-V406 HydrophobicContact CB-CG1 4.12Å; A310-F408 HydrophobicContact CB-CD1 4.06Å; A310-F408 HydrophobicContact CB-CE1 3.61Å; A310-F408 HydrophobicContact CB-CZ 3.98Å
311	A	96.8	Very high	92.5	Very high	35 Å²	35	43 Å²	43	29%	0.289	23%	0.23	S	C	.	.	S	Bend	trans	-63.1	-41.6	179.2	0	0	0	0	0	111	P353 I407 E409	A311-P353 WeakPolarHBondContact O-CD 3.45Å; A311-I407 HydrophobicContact CB-CG2 4.48Å; A311-I407 PolarHBondContact N-O 3.14Å; A311-E409 HydrophobicContact CB-CG 3.78Å
312	N	97.8	Very high	91	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.027	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	149.1	178.3	175.3	84.2	0	0	0	113.2	A310 S314 S351 L352 P357 I407	A310-N312 VanDerWaalsContact C-N 3.31Å; A310-N312 PolarHBondContact O-N 3.05Å; N312-S314 PolarHBondContact ND2-OG 3.5Å; N312-S351 PolarHBondContact OD1-OG 3.14Å; N312-L352 CarbonylContact C-O 3.59Å; N312-L352 VanDerWaalsContact CA-O 3.25Å; N312-L352 WeakPolarHBondContact CA-O 3.19Å; N312-L352 PolarHBondContact OD1-O 2.82Å; N312-L352 VanDerWaalsContact OD1-O 3.04Å; N312-P357 HydrophobicContact CB-CG 3.98Å; N312-I407 HydrophobicContact CB-CB 4.45Å; N312-I407 HydrophobicContact CB-CD1 4.37Å; N312-I407 PolarHBondContact N-O 3.17Å; N312-I407 PolarHBondContact O-N 3.29Å
313	V	97.9	Very high	89.4	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.024	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.2	164.3	-177.7	0	0	0	0	109.1	I301 F304 I305 L352 I404 V405 V406	I301-V313 HydrophobicContact CG2-CB 3.61Å; I301-V313 HydrophobicContact CG2-CG1 3.72Å; I301-V313 HydrophobicContact CG2-CG2 4.01Å; F304-V313 HydrophobicContact CD1-CG2 4.38Å; I305-V313 HydrophobicContact CD1-CB 4.23Å; I305-V313 HydrophobicContact CD1-CG2 4.01Å; I305-V313 HydrophobicContact CG1-CG2 3.76Å; V313-L352 PolarHBondContact N-O 3.32Å; V313-L352 PolarHBondContact O-N 3.22Å; V313-I404 HydrophobicContact CG1-CG2 4.3Å; V313-V405 CarbonylContact C-O 3.59Å; V313-V405 VanDerWaalsContact CA-O 3.28Å; V313-V405 WeakPolarHBondContact CA-O 3.42Å; V313-V406 HydrophobicContact CG1-CG2 4.3Å; V313-V406 HydrophobicContact CG2-CB 4.43Å; V313-V406 HydrophobicContact CG2-CG1 4.18Å; V313-V406 HydrophobicContact CG2-CG2 4.04Å
314	S	96.8	Very high	87.7	Confident	2 Å²	2	53 Å²	53	1%	0.014	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	147.4	178.5	-62.4	0	0	0	0	112.6	N312 V350 S351 I404 V405	N312-S314 PolarHBondContact ND2-OG 3.5Å; S314-V350 CarbonylContact C-O 3.52Å; S314-V350 WeakPolarHBondContact CA-O 3.4Å; S314-V350 WeakPolarHBondContact CB-O 3.15Å; S314-S351 PolarHBondContact OG-OG 3.04Å; S314-I404 WeakPolarHBondContact O-CA 3.34Å; S314-V405 PolarHBondContact N-O 3.36Å; S314-V405 PolarHBondContact O-N 3.08Å
315	L	96.3	Very high	86.2	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123.5	162.6	-177	66.8	0	0	0	108	F271 Y272 A348 V349 V350 F402 I404	F271-L315 HydrophobicContact CD1-CD2 4.22Å; F271-L315 HydrophobicContact CE1-CD2 3.8Å; F271-L315 HydrophobicContact CZ-CB 4.35Å; F271-L315 HydrophobicContact CZ-CD2 4.32Å; Y272-L315 HydrophobicContact CD1-CD2 3.42Å; Y272-L315 VanDerWaalsContact CD1-CD2 3.42Å; Y272-L315 HydrophobicContact CE1-CD2 3.48Å; Y272-L315 VanDerWaalsContact CE1-CD2 3.48Å; Y272-L315 HydrophobicContact CG-CD2 4.01Å; L315-A348 CarbonylContact O-C 3.54Å; L315-A348 WeakPolarHBondContact O-CA 3.49Å; L315-V349 HydrophobicContact CB-CG2 3.99Å; L315-V349 HydrophobicContact CD2-CG2 3.68Å; L315-V349 HydrophobicContact CG-CG2 3.7Å; L315-V349 WeakPolarHBondContact O-CG2 3.34Å; L315-V349 PolarHBondContact O-N 3.26Å; L315-V350 HydrophobicContact CB-CB 3.85Å; L315-V350 HydrophobicContact CB-CG2 4.03Å; L315-V350 HydrophobicContact CD2-CG2 4.17Å; L315-V350 PolarHBondContact N-O 3.01Å; L315-V350 PolarHBondContact O-N 3.04Å; L315-F402 HydrophobicContact CD1-CB 4.08Å; L315-F402 HydrophobicContact CD1-CD1 4.13Å; L315-F402 HydrophobicContact CD2-CD1 4.04Å; L315-F402 HydrophobicContact CD2-CE1 4.4Å; L315-F402 HydrophobicContact CG-CD1 3.98Å; L315-I404 HydrophobicContact CD1-CG1 3.65Å
316	I	94.7	Very high	84.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.7	-175.5	-54.1	176.4	0	0	0	108.2	Y346 P347 W361 V364 M368 F402 T403 V405	I316-Y346 HydrophobicContact CG2-CD1 4.18Å; I316-Y346 HydrophobicContact CG2-CG 4.47Å; I316-P347 WeakPolarHBondContact CA-O 3.18Å; I316-W361 HydrophobicContact CD1-CH2 3.75Å; I316-W361 HydrophobicContact CD1-CZ2 3.95Å; I316-W361 HydrophobicContact CD1-CZ3 4.46Å; I316-W361 HydrophobicContact CG1-CH2 3.62Å; I316-W361 HydrophobicContact CG1-CZ2 3.85Å; I316-W361 HydrophobicContact CG2-CZ2 4.28Å; I316-V364 HydrophobicContact CD1-CG1 3.38Å; I316-M368 HydrophobicContact CD1-SD 3.75Å; I316-M368 HydrophobicContact CG2-CE 4.2Å; I316-M368 HydrophobicContact CG2-SD 4.25Å; I316-F402 CarbonylContact O-C 3.54Å; I316-F402 VanDerWaalsContact O-CA 3.3Å; I316-F402 WeakPolarHBondContact O-CA 3.11Å; I316-T403 WeakPolarHBondContact CB-O 3.44Å; I316-T403 PolarHBondContact N-O 2.77Å; I316-T403 PolarHBondContact O-N 2.78Å; I316-V405 HydrophobicContact CD1-CB 4.38Å; I316-V405 HydrophobicContact CD1-CG1 3.78Å; I316-V405 HydrophobicContact CG1-CG1 4.33Å
317	F	91.9	Very high	83.3	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.018	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	129.1	169.3	179.9	-110.5	0	0	0	109.6	W207 N319 F325 Y346 P347 V349 H401 F402	W207-F317 HydrophobicContact CB-CD2 3.93Å; W207-F317 HydrophobicContact CB-CE1 4.39Å; W207-F317 HydrophobicContact CB-CE2 3.69Å; W207-F317 HydrophobicContact CB-CG 4.36Å; W207-F317 HydrophobicContact CB-CZ 3.95Å; W207-F317 HydrophobicContact CE3-CD1 4.22Å; W207-F317 HydrophobicContact CE3-CE1 4.41Å; W207-F317 HydrophobicContact CG-CD2 4.42Å; W207-F317 HydrophobicContact CG-CG 4.48Å; F317-N319 HydrophobicContact CD1-CB 4.14Å; F317-N319 HydrophobicContact CE1-CB 4.06Å; F317-N319 WeakPolarHBondContact CE1-OD1 3.29Å; F317-F325 HydrophobicContact CD1-CD2 4.21Å; F317-F325 AromaticContact CD1-CE2 3.85Å; F317-F325 HydrophobicContact CD1-CE2 3.85Å; F317-F325 AromaticContact CE1-CD2 3.8Å; F317-F325 HydrophobicContact CE1-CD2 3.8Å; F317-F325 AromaticContact CE1-CE2 3.93Å; F317-F325 HydrophobicContact CE1-CE2 3.93Å; F317-Y346 WeakPolarHBondContact O-CA 3.33Å; F317-P347 HydrophobicContact CB-CG 4.3Å; F317-P347 PolarHBondContact N-O 2.98Å; F317-P347 VanDerWaalsContact N-O 3.13Å; F317-P347 WeakPolarHBondContact O-CD 3.43Å; F317-V349 HydrophobicContact CB-CG1 3.59Å; F317-H401 CarbonylContact C-O 3.57Å; F317-H401 WeakPolarHBondContact CA-O 3.22Å; F317-H401 HydrophobicContact CD2-CB 4Å; F317-H401 WeakPolarHBondContact CD2-O 3.15Å; F317-H401 HydrophobicContact CE2-CB 3.62Å; F317-F402 HydrophobicContact CB-CD1 4.35Å; F317-F402 HydrophobicContact CB-CE1 4.04Å; F317-F402 HydrophobicContact CD2-CD1 4.14Å; F317-F402 AromaticContact CD2-CE1 3.61Å; F317-F402 HydrophobicContact CD2-CE1 3.61Å; F317-F402 HydrophobicContact CD2-CE2 4.04Å; F317-F402 AromaticContact CD2-CZ 3.56Å; F317-F402 HydrophobicContact CD2-CZ 3.56Å; F317-F402 HydrophobicContact CE2-CE2 4.3Å; F317-F402 HydrophobicContact CE2-CZ 4.07Å; F317-F402 HydrophobicContact CG-CE1 4.25Å
318	D	88.4	Confident	82	Confident	13 Å²	13	44.4 Å²	44.4	7%	0.07	25%	0.252	C	S	.	.			trans	-88.9	105.4	174.1	-175.2	-8.3	0	0	0	109.2	R320 Y346 H401	D318-R320 VanDerWaalsContact C-N 3.33Å; D318-R320 VanDerWaalsContact OD1-CB 3.31Å; D318-R320 WeakPolarHBondContact OD1-CB 3.43Å; D318-R320 VanDerWaalsContact OD1-CG 3.24Å; D318-R320 WeakPolarHBondContact OD1-CG 3.42Å; D318-R320 IonicContact OD1-CZ 2.79Å; D318-R320 PolarHBondContact OD1-N 2.87Å; D318-R320 IonicContact OD1-NE 3.27Å; D318-R320 PolarHBondContact OD1-NE 3.2Å; D318-R320 IonicContact OD1-NH2 3.29Å; D318-R320 IonicContact OD2-CZ 3.59Å; D318-R320 IonicContact OD2-NE 3.04Å; D318-R320 PolarHBondContact OD2-NE 3.19Å; D318-R320 IonicContact OD2-NH2 2.68Å; D318-R320 PolarHBondContact OD2-NH2 3.32Å; D318-Y346 HydrophobicContact CB-CD1 4.41Å; D318-Y346 HydrophobicContact CB-CE1 4.19Å; D318-H401 PolarHBondContact N-O 3.38Å
319	N	79	Confident	80.7	Confident	6 Å²	6	42.5 Å²	42.5	3%	0.032	25%	0.248	C	C	.	.			trans	-88.8	4.9	-176.3	-165.6	46.3	0	0	0	114.4	F317 G321 S322 F325 P340 Q345	F317-N319 HydrophobicContact CD1-CB 4.14Å; F317-N319 HydrophobicContact CE1-CB 4.06Å; F317-N319 WeakPolarHBondContact CE1-OD1 3.29Å; N319-G321 PolarHBondContact O-N 3.34Å; N319-S322 PolarHBondContact O-N 3.15Å; N319-S322 VanDerWaalsContact OD1-CB 3.32Å; N319-S322 WeakPolarHBondContact OD1-CB 3.3Å; N319-F325 HydrophobicContact CB-CD2 4.26Å; N319-F325 HydrophobicContact CB-CE2 4.46Å; N319-F325 WeakPolarHBondContact ND2-CB 3.44Å; N319-F325 WeakPolarHBondContact ND2-CG 3.37Å; N319-F325 WeakPolarHBondContact OD1-CB 3.35Å; N319-F325 WeakPolarHBondContact OD1-CD2 2.99Å; N319-F325 WeakPolarHBondContact OD1-CG 3.5Å; N319-P340 WeakPolarHBondContact ND2-CD 3.15Å; N319-Q345 VanDerWaalsContact CB-O 3.26Å; N319-Q345 WeakPolarHBondContact CB-O 3.37Å; N319-Q345 PolarHBondContact N-O 3.4Å
320	R	73.9	Confident	79.2	Confident	99 Å²	99	40 Å²	40	37%	0.374	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	130.4	-176.9	-66.7	178.3	-63.7	176.4	-2	110.7	D318 S322 Y346	D318-R320 VanDerWaalsContact C-N 3.33Å; D318-R320 VanDerWaalsContact OD1-CB 3.31Å; D318-R320 WeakPolarHBondContact OD1-CB 3.43Å; D318-R320 VanDerWaalsContact OD1-CG 3.24Å; D318-R320 WeakPolarHBondContact OD1-CG 3.42Å; D318-R320 IonicContact OD1-CZ 2.79Å; D318-R320 PolarHBondContact OD1-N 2.87Å; D318-R320 IonicContact OD1-NE 3.27Å; D318-R320 PolarHBondContact OD1-NE 3.2Å; D318-R320 IonicContact OD1-NH2 3.29Å; D318-R320 IonicContact OD2-CZ 3.59Å; D318-R320 IonicContact OD2-NE 3.04Å; D318-R320 PolarHBondContact OD2-NE 3.19Å; D318-R320 IonicContact OD2-NH2 2.68Å; D318-R320 PolarHBondContact OD2-NH2 3.32Å; R320-S322 VanDerWaalsContact C-N 3.27Å; R320-S322 PolarHBondContact O-N 3.43Å; R320-Y346 WeakPolarHBondContact CD-OH 3.48Å; R320-Y346 PolarHBondContact NE-OH 2.76Å; R320-Y346 PolarHBondContact NH1-OH 3.22Å
321	G	64.2	Low	77.7	Confident	84 Å²	84	41 Å²	41	87%	0.866	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.4	0.6	-179.6	0	0	0	0	0	115.1	N319 E323	N319-G321 PolarHBondContact O-N 3.34Å; G321-E323 PolarHBondContact O-N 3.41Å
322	S	64.9	Low	76.2	Confident	31 Å²	31	44.3 Å²	44.3	22%	0.217	24%	0.242	C	C	.	.			trans	-93.4	95.9	173.8	-174.9	0	0	0	0	110.8	N319 R320 S324	N319-S322 PolarHBondContact O-N 3.15Å; N319-S322 VanDerWaalsContact OD1-CB 3.32Å; N319-S322 WeakPolarHBondContact OD1-CB 3.3Å; R320-S322 VanDerWaalsContact C-N 3.27Å; R320-S322 PolarHBondContact O-N 3.43Å; S322-S324 PolarHBondContact O-N 3.44Å; S322-S324 PolarHBondContact OG-OG 2.78Å
323	E	58.9	Low	74.7	Confident	194 Å²	194	48.5 Å²	48.5	91%	0.907	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.1	171.8	-61.8	-174.7	168.4	0	0	112.4	G321	G321-E323 PolarHBondContact O-N 3.41Å
324	S	60.6	Low	73.2	Confident	76 Å²	76	56.2 Å²	56.2	53%	0.531	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	7.2	-174.7	70.1	0	0	0	0	114.8	S322 Q326	S322-S324 PolarHBondContact O-N 3.44Å; S322-S324 PolarHBondContact OG-OG 2.78Å; S324-Q326 PolarHBondContact O-N 3.32Å
325	F	66.9	Low	71.7	Confident	34 Å²	34	58.5 Å²	58.5	15%	0.149	32%	0.321	C	S	.	.			trans	-69.3	123.4	-177.9	-176.7	-98.5	0	0	0	112.8	W207 F317 N319 P340 P347	W207-F325 HydrophobicContact CE3-CD2 4.18Å; W207-F325 AromaticContact CE3-CE2 3.57Å; W207-F325 HydrophobicContact CE3-CE2 3.57Å; W207-F325 HydrophobicContact CE3-CZ 4.43Å; W207-F325 HydrophobicContact CH2-CE2 4.31Å; W207-F325 HydrophobicContact CH2-CZ 4.43Å; W207-F325 HydrophobicContact CZ3-CD2 4.13Å; W207-F325 AromaticContact CZ3-CE2 3.22Å; W207-F325 HydrophobicContact CZ3-CE2 3.22Å; W207-F325 AromaticContact CZ3-CZ 3.65Å; W207-F325 HydrophobicContact CZ3-CZ 3.65Å; F317-F325 HydrophobicContact CD1-CD2 4.21Å; F317-F325 AromaticContact CD1-CE2 3.85Å; F317-F325 HydrophobicContact CD1-CE2 3.85Å; F317-F325 AromaticContact CE1-CD2 3.8Å; F317-F325 HydrophobicContact CE1-CD2 3.8Å; F317-F325 AromaticContact CE1-CE2 3.93Å; F317-F325 HydrophobicContact CE1-CE2 3.93Å; N319-F325 HydrophobicContact CB-CD2 4.26Å; N319-F325 HydrophobicContact CB-CE2 4.46Å; N319-F325 WeakPolarHBondContact ND2-CB 3.44Å; N319-F325 WeakPolarHBondContact ND2-CG 3.37Å; N319-F325 WeakPolarHBondContact OD1-CB 3.35Å; N319-F325 WeakPolarHBondContact OD1-CD2 2.99Å; N319-F325 WeakPolarHBondContact OD1-CG 3.5Å; F325-P340 HydrophobicContact CD1-CG 3.31Å; F325-P340 HydrophobicContact CE1-CG 3.35Å; F325-P340 HydrophobicContact CG-CG 4.32Å; F325-P340 HydrophobicContact CZ-CG 4.37Å; F325-P347 HydrophobicContact CE2-CG 4.32Å; F325-P347 HydrophobicContact CZ-CG 4.03Å
326	Q	65	Low	69.9	Low	75 Å²	75	68.1 Å²	68.1	35%	0.35	36%	0.358	S	S	.	.			trans	-112.3	-8.2	-179.2	-64	-177	-15.3	0	0	113.4	S324 H331 R337	S324-Q326 PolarHBondContact O-N 3.32Å; Q326-H331 HydrophobicContact CB-CB 3.8Å; Q326-H331 HydrophobicContact CG-CB 4.41Å; Q326-H331 PolarHBondContact O-CD2 2.9Å; Q326-H331 PolarHBondContact O-CE1 3.49Å; Q326-H331 PolarHBondContact O-ND1 2.87Å; Q326-H331 PolarHBondContact O-NE2 2.95Å; Q326-H331 VanDerWaalsContact OE1-CB 3.25Å; Q326-R337 PolarHBondContact O-NH1 2.94Å
327	G	68.8	Low	68.4	Low	15 Å²	15	74.8 Å²	74.8	16%	0.155	38%	0.384	C	S	.	.			trans	91.8	-164.9	-174.7	0	0	0	0	0	113.2	W207 H331	W207-G327 VanDerWaalsContact CZ3-C 3.4Å; W207-G327 WeakPolarHBondContact CZ3-O 3.37Å; G327-H331 PolarHBondContact O-CE1 3.35Å; G327-H331 VanDerWaalsContact O-CE1 3.26Å
328	H	70.3	Confident	66.8	Low	53 Å²	53	80.8 Å²	80.8	25%	0.245	41%	0.412	C	S	.	.	S	Bend	trans	-70.9	130.9	-173.2	-61.7	-99.9	0	0	0	114	W207 E275 H331	W207-H328 HydrophobicContact CH2-CB 4.13Å; W207-H328 AromaticContact CH2-CD2 3.79Å; W207-H328 AromaticContact CH2-CE1 3.75Å; W207-H328 AromaticContact CH2-CG 3.57Å; W207-H328 AromaticContact CH2-ND1 3.56Å; W207-H328 AromaticContact CH2-NE2 3.87Å; W207-H328 HydrophobicContact CZ2-CB 4.41Å; W207-H328 AromaticContact CZ2-CE1 3.71Å; W207-H328 AromaticContact CZ2-CG 3.85Å; W207-H328 AromaticContact CZ2-ND1 3.39Å; W207-H328 WeakPolarHBondContact CZ2-ND1 3.35Å; E275-H328 IonicContact OE2-CE1 3.87Å; E275-H328 PolarHBondContact OE2-CE1 2.99Å; E275-H328 IonicContact OE2-CG 3.95Å; E275-H328 IonicContact OE2-ND1 3.94Å; E275-H328 PolarHBondContact OE2-ND1 2.93Å; E275-H328 IonicContact OE2-NE2 2.69Å; H328-H331 VanDerWaalsContact C-CE1 3.5Å; H328-H331 PolarHBondContact O-CE1 3.39Å
329	G	68	Low	65.7	Low	14 Å²	14	82.7 Å²	82.7	14%	0.144	43%	0.43	C	S	.	.	S	Bend	trans	80.9	-152.8	169.4	0	0	0	0	0	114.5	H331	G329-H331 PolarHBondContact O-ND1 2.81Å
330	Y	65.3	Low	65.1	Low	91 Å²	91	83.6 Å²	83.6	36%	0.357	44%	0.436	S	S	.	.			trans	-80.3	135.1	-178.4	175.1	-107.9	0	0	0	111.8	L210 L464	L210-Y330 HydrophobicContact CB-CD2 4.06Å; L210-Y330 HydrophobicContact CD2-CD2 3.37Å; L210-Y330 HydrophobicContact CD2-CE2 3.38Å; L210-Y330 HydrophobicContact CG-CD2 4.23Å; Y330-L464 HydrophobicContact CD1-CD2 4.28Å; Y330-L464 HydrophobicContact CE1-CD2 4.41Å
331	H	66.4	Low	64.8	Low	26 Å²	26	85.6 Å²	85.6	12%	0.12	45%	0.447	C	S	.	.			trans	-131.8	146.3	174	-63.3	92.5	0	0	0	109.7	Q326 G327 H328 G329 R337	Q326-H331 HydrophobicContact CB-CB 3.8Å; Q326-H331 HydrophobicContact CG-CB 4.41Å; Q326-H331 PolarHBondContact O-CD2 2.9Å; Q326-H331 PolarHBondContact O-CE1 3.49Å; Q326-H331 PolarHBondContact O-ND1 2.87Å; Q326-H331 PolarHBondContact O-NE2 2.95Å; Q326-H331 VanDerWaalsContact OE1-CB 3.25Å; G327-H331 PolarHBondContact O-CE1 3.35Å; G327-H331 VanDerWaalsContact O-CE1 3.26Å; H328-H331 VanDerWaalsContact C-CE1 3.5Å; H328-H331 PolarHBondContact O-CE1 3.39Å; G329-H331 PolarHBondContact O-ND1 2.81Å; H331-R337 PolarHBondContact CD2-NH1 3Å; H331-R337 VanDerWaalsContact CD2-NH1 3.28Å; H331-R337 PolarHBondContact NE2-NH1 2.84Å
332	H	65.1	Low	65.2	Low	104 Å²	104	83.9 Å²	83.9	48%	0.481	43%	0.43	S	S	.	.			trans	-72.4	134.3	179.8	-172.2	-99.5	0	0	0	109.8	H334 S335	H332-H334 AromaticContact CE1-CD2 3.58Å; H332-H334 PolarHBondContact ND1-N 3.47Å; H332-H334 PolarHBondContact O-N 3.12Å; H332-S335 PolarHBondContact O-N 3.17Å; H332-S335 PolarHBondContact O-OG 3.33Å
333	P	66.3	Low	65.4	Low	93 Å²	93	85.9 Å²	85.9	60%	0.604	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-24.7	-176.5	-27.9	35	0	0	0	115
334	H	66.6	Low	66.1	Low	166 Å²	166	81 Å²	81	77%	0.769	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	4.6	-179.2	-56.4	-64.4	0	0	0	114.6	H332 Y336	H332-H334 AromaticContact CE1-CD2 3.58Å; H332-H334 PolarHBondContact ND1-N 3.47Å; H332-H334 PolarHBondContact O-N 3.12Å; H334-Y336 PolarHBondContact O-N 3.26Å
335	S	63.5	Low	67.1	Low	49 Å²	49	80 Å²	80	34%	0.343	41%	0.408	S	S	.	.			trans	-78.6	114.1	174.4	57.5	0	0	0	0	110.2	H332	H332-S335 PolarHBondContact O-N 3.17Å; H332-S335 PolarHBondContact O-OG 3.33Å
336	Y	58.7	Low	68	Low	203 Å²	203	78.8 Å²	78.8	80%	0.796	40%	0.402	S	S	*	.			trans	-69.2	133.1	170.4	179.5	-99	0	0	0	110.3	H334	H334-Y336 PolarHBondContact O-N 3.26Å
337	R	63.2	Low	69.1	Low	141 Å²	141	75.8 Å²	75.8	53%	0.532	39%	0.389	S	S	.	.			trans	-135.7	139.4	167.6	-76.8	-168.3	171.6	173.6	1	109.1	Q326 H331	Q326-R337 PolarHBondContact O-NH1 2.94Å; H331-R337 PolarHBondContact CD2-NH1 3Å; H331-R337 VanDerWaalsContact CD2-NH1 3.28Å; H331-R337 PolarHBondContact NE2-NH1 2.84Å
338	E	59.7	Low	70.1	Confident	129 Å²	129	75.6 Å²	75.6	60%	0.603	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-66.5	134.1	171.5	-165.5	176.6	-179.6	0	0	109.1	K341	E338-K341 IonicContact OE1-NZ 2.7Å; E338-K341 PolarHBondContact OE1-NZ 3.2Å
339	A	64	Low	71	Confident	54 Å²	54	73 Å²	73	45%	0.446	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-60.7	137.4	176.9	0	0	0	0	0	109.8	K341	A339-K341 PolarHBondContact O-N 2.78Å
340	P	67.1	Low	72.1	Confident	25 Å²	25	72.6 Å²	72.6	16%	0.162	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-57.3	138.5	178.9	-17.9	25.8	0	0	0	111.4	N319 F325 D344 Q345	N319-P340 WeakPolarHBondContact ND2-CD 3.15Å; F325-P340 HydrophobicContact CD1-CG 3.31Å; F325-P340 HydrophobicContact CE1-CG 3.35Å; F325-P340 HydrophobicContact CG-CG 4.32Å; F325-P340 HydrophobicContact CZ-CG 4.37Å; P340-D344 VanDerWaalsContact CB-C 3.49Å; P340-D344 HydrophobicContact CB-CB 3.9Å; P340-D344 WeakPolarHBondContact CB-O 3.1Å; P340-Q345 HydrophobicContact CB-CG 4.44Å; P340-Q345 WeakPolarHBondContact O-CG 3.16Å; P340-Q345 PolarHBondContact O-NE2 2.96Å
341	K	67.3	Low	73.4	Confident	140 Å²	140	69.4 Å²	69.4	61%	0.609	36%	0.36	S	S	*	.			trans	-119.7	149	178.4	-69.7	173.5	-178.4	163.4	0	110.3	E338 A339 V343 D344	E338-K341 IonicContact OE1-NZ 2.7Å; E338-K341 PolarHBondContact OE1-NZ 3.2Å; A339-K341 PolarHBondContact O-N 2.78Å; K341-V343 PolarHBondContact O-N 3.4Å; K341-D344 PolarHBondContact O-N 3.35Å
342	G	72	Confident	74.7	Confident	49 Å²	49	68.6 Å²	68.6	51%	0.505	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	58.7	-123.4	176.5	0	0	0	0	0	112.9	D344 Q345	G342-D344 PolarHBondContact O-N 3.28Å; G342-Q345 VanDerWaalsContact O-CB 3.31Å; G342-Q345 WeakPolarHBondContact O-CB 3.42Å; G342-Q345 PolarHBondContact O-N 2.95Å; G342-Q345 VanDerWaalsContact O-N 3.12Å
343	V	69.1	Low	75.9	Confident	73 Å²	73	67.8 Å²	67.8	44%	0.442	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-61.1	-30.8	-175.2	-175.3	0	0	0	0	112.5	K341 Q345 Y346 I365	K341-V343 PolarHBondContact O-N 3.4Å; V343-Q345 PolarHBondContact O-N 3.47Å; V343-Y346 PolarHBondContact O-N 3.1Å; V343-I365 HydrophobicContact CB-CD1 4.24Å; V343-I365 HydrophobicContact CG1-CD1 3.89Å; V343-I365 HydrophobicContact CG2-CD1 4.39Å
344	D	74.3	Confident	76.8	Confident	90 Å²	90	67.4 Å²	67.4	48%	0.481	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-78	-4.9	-178.7	-63.9	-41.1	0	0	0	113.4	P340 K341 G342 Y346 R356	P340-D344 VanDerWaalsContact CB-C 3.49Å; P340-D344 HydrophobicContact CB-CB 3.9Å; P340-D344 WeakPolarHBondContact CB-O 3.1Å; K341-D344 PolarHBondContact O-N 3.35Å; G342-D344 PolarHBondContact O-N 3.28Å; D344-Y346 PolarHBondContact O-N 3.21Å; D344-R356 IonicContact OD1-NH1 3.32Å; D344-R356 IonicContact OD1-NH2 2.63Å
345	Q	81.1	Confident	77.9	Confident	57 Å²	57	66.4 Å²	66.4	27%	0.266	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-71.6	-13.9	170.8	-67.6	179.7	-17.4	0	0	113.3	N319 P340 G342 V343 P347	N319-Q345 VanDerWaalsContact CB-O 3.26Å; N319-Q345 WeakPolarHBondContact CB-O 3.37Å; N319-Q345 PolarHBondContact N-O 3.4Å; P340-Q345 HydrophobicContact CB-CG 4.44Å; P340-Q345 WeakPolarHBondContact O-CG 3.16Å; P340-Q345 PolarHBondContact O-NE2 2.96Å; G342-Q345 VanDerWaalsContact O-CB 3.31Å; G342-Q345 WeakPolarHBondContact O-CB 3.42Å; G342-Q345 PolarHBondContact O-N 2.95Å; G342-Q345 VanDerWaalsContact O-N 3.12Å; V343-Q345 PolarHBondContact O-N 3.47Å; Q345-P347 VanDerWaalsContact C-CD 3.41Å; Q345-P347 WeakPolarHBondContact O-CD 3.28Å
346	Y	85.8	Confident	79.1	Confident	8 Å²	8	68 Å²	68	3%	0.031	36%	0.358	C	S	.	.	S	Bend	trans	-122.3	68.9	179.7	-60.4	-76.4	0	0	0	110.1	I316 F317 D318 R320 V343 D344 W361 I365 M368	I316-Y346 HydrophobicContact CG2-CD1 4.18Å; I316-Y346 HydrophobicContact CG2-CG 4.47Å; F317-Y346 WeakPolarHBondContact O-CA 3.33Å; D318-Y346 HydrophobicContact CB-CD1 4.41Å; D318-Y346 HydrophobicContact CB-CE1 4.19Å; R320-Y346 WeakPolarHBondContact CD-OH 3.48Å; R320-Y346 PolarHBondContact NE-OH 2.76Å; R320-Y346 PolarHBondContact NH1-OH 3.22Å; V343-Y346 PolarHBondContact O-N 3.1Å; D344-Y346 PolarHBondContact O-N 3.21Å; Y346-W361 VanDerWaalsContact O-CE2 3.24Å; Y346-W361 WeakPolarHBondContact O-CZ2 3.25Å; Y346-W361 PolarHBondContact O-NE1 3.27Å; Y346-I365 HydrophobicContact CD2-CD1 3.89Å; Y346-I365 HydrophobicContact CD2-CG1 3.74Å; Y346-I365 HydrophobicContact CD2-CG2 4.08Å; Y346-I365 HydrophobicContact CE2-CG1 4.34Å; Y346-I365 HydrophobicContact CE2-CG2 3.84Å; Y346-I365 HydrophobicContact CG-CG1 4.22Å; Y346-M368 HydrophobicContact CD1-CE 3.59Å; Y346-M368 HydrophobicContact CD1-SD 4.46Å; Y346-M368 HydrophobicContact CE1-CE 3.6Å
347	P	87.7	Confident	80.7	Confident	12 Å²	12	59.5 Å²	59.5	8%	0.078	33%	0.328	C	S	.	.			trans	-66.8	144.8	175	29.1	-36.4	0	0	0	111.3	I316 F317 F325 Q345 V349	I316-P347 WeakPolarHBondContact CA-O 3.18Å; F317-P347 HydrophobicContact CB-CG 4.3Å; F317-P347 PolarHBondContact N-O 2.98Å; F317-P347 VanDerWaalsContact N-O 3.13Å; F317-P347 WeakPolarHBondContact O-CD 3.43Å; F325-P347 HydrophobicContact CE2-CG 4.32Å; F325-P347 HydrophobicContact CZ-CG 4.03Å; Q345-P347 VanDerWaalsContact C-CD 3.41Å; Q345-P347 WeakPolarHBondContact O-CD 3.28Å; P347-V349 HydrophobicContact CG-CG1 4.46Å; P347-V349 PolarHBondContact O-N 3.01Å
348	A	89.8	Confident	82	Confident	10 Å²	10	57.6 Å²	57.6	8%	0.083	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	99.8	166.5	0	0	0	0	0	108.2	L315 V350 R356 W361	L315-A348 CarbonylContact O-C 3.54Å; L315-A348 WeakPolarHBondContact O-CA 3.49Å; A348-V350 PolarHBondContact O-N 2.82Å; A348-R356 HydrophobicContact CB-CB 3.97Å; A348-R356 HydrophobicContact CB-CG 3.98Å; A348-W361 HydrophobicContact CB-CH2 3.53Å; A348-W361 HydrophobicContact CB-CZ2 3.96Å; A348-W361 HydrophobicContact CB-CZ3 4.3Å
349	V	89.2	Confident	83.6	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-18.9	179.3	-56.7	0	0	0	0	112.5	W207 L315 F317 P347 F402	W207-V349 HydrophobicContact CD2-CG1 4.09Å; W207-V349 VanDerWaalsContact CE2-CG1 3.4Å; W207-V349 HydrophobicContact CH2-CG1 4.01Å; W207-V349 HydrophobicContact CZ2-CB 3.91Å; W207-V349 HydrophobicContact CZ2-CG1 3.36Å; L315-V349 HydrophobicContact CB-CG2 3.99Å; L315-V349 HydrophobicContact CD2-CG2 3.68Å; L315-V349 HydrophobicContact CG-CG2 3.7Å; L315-V349 WeakPolarHBondContact O-CG2 3.34Å; L315-V349 PolarHBondContact O-N 3.26Å; F317-V349 HydrophobicContact CB-CG1 3.59Å; P347-V349 HydrophobicContact CG-CG1 4.46Å; P347-V349 PolarHBondContact O-N 3.01Å; V349-F402 HydrophobicContact CG2-CD1 4.44Å; V349-F402 HydrophobicContact CG2-CE1 4.09Å
350	V	91.9	Very high	85.1	Confident	5 Å²	5	58 Å²	58	3%	0.03	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	138.4	165.2	-174.3	0	0	0	0	107.8	F271 H274 S314 L315 A348 L352	F271-V350 HydrophobicContact CD2-CG1 4.45Å; F271-V350 HydrophobicContact CD2-CG2 4.19Å; F271-V350 HydrophobicContact CE2-CB 4.29Å; F271-V350 HydrophobicContact CE2-CG1 3.88Å; F271-V350 HydrophobicContact CE2-CG2 4.04Å; F271-V350 HydrophobicContact CZ-CG2 4.43Å; F271-V350 WeakPolarHBondContact O-CG2 3.24Å; H274-V350 HydrophobicContact CB-CG2 4.31Å; S314-V350 CarbonylContact C-O 3.52Å; S314-V350 WeakPolarHBondContact CA-O 3.4Å; S314-V350 WeakPolarHBondContact CB-O 3.15Å; L315-V350 HydrophobicContact CB-CB 3.85Å; L315-V350 HydrophobicContact CB-CG2 4.03Å; L315-V350 HydrophobicContact CD2-CG2 4.17Å; L315-V350 PolarHBondContact N-O 3.01Å; L315-V350 PolarHBondContact O-N 3.04Å; A348-V350 PolarHBondContact O-N 2.82Å; V350-L352 HydrophobicContact CG1-CD1 4.48Å; V350-L352 HydrophobicContact CG1-CG 4.33Å
351	S	93.3	Very high	86.4	Confident	24 Å²	24	56.9 Å²	56.9	17%	0.168	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	130.8	173.2	-157.6	0	0	0	0	109.4	N312 S314 S354 D355 R356	N312-S351 PolarHBondContact OD1-OG 3.14Å; S314-S351 PolarHBondContact OG-OG 3.04Å; S351-S354 CarbonylContact C-O 3.48Å; S351-S354 VanDerWaalsContact C-O 3.29Å; S351-S354 WeakPolarHBondContact CB-O 3.29Å; S351-S354 PolarHBondContact OG-O 2.83Å; S351-D355 PolarHBondContact OG-O 3.32Å; S351-R356 WeakPolarHBondContact OG-CA 3.38Å; S351-R356 PolarHBondContact OG-N 3.38Å
352	L	93.1	Very high	87.6	Confident	9 Å²	9	53.9 Å²	53.9	5%	0.047	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	139.8	-179	-67	174.5	0	0	0	111.1	F298 I301 I305 N312 V313 V350	F298-L352 HydrophobicContact CD2-CD1 3.77Å; F298-L352 HydrophobicContact CD2-CD2 4.22Å; F298-L352 HydrophobicContact CE1-CD2 4.31Å; F298-L352 HydrophobicContact CE2-CD1 3.66Å; F298-L352 HydrophobicContact CE2-CD2 3.26Å; F298-L352 HydrophobicContact CE2-CG 3.99Å; F298-L352 HydrophobicContact CG-CD1 4.34Å; F298-L352 HydrophobicContact CZ-CD1 4.09Å; F298-L352 HydrophobicContact CZ-CD2 3.3Å; F298-L352 HydrophobicContact CZ-CG 4.34Å; I301-L352 HydrophobicContact CB-CD1 4.08Å; I301-L352 HydrophobicContact CG2-CB 4.31Å; I301-L352 HydrophobicContact CG2-CD1 3.68Å; I305-L352 HydrophobicContact CD1-CB 3.62Å; I305-L352 WeakPolarHBondContact CD1-O 3.13Å; N312-L352 CarbonylContact C-O 3.59Å; N312-L352 VanDerWaalsContact CA-O 3.25Å; N312-L352 WeakPolarHBondContact CA-O 3.19Å; N312-L352 PolarHBondContact OD1-O 2.82Å; N312-L352 VanDerWaalsContact OD1-O 3.04Å; V313-L352 PolarHBondContact N-O 3.32Å; V313-L352 PolarHBondContact O-N 3.22Å; V350-L352 HydrophobicContact CG1-CD1 4.48Å; V350-L352 HydrophobicContact CG1-CG 4.33Å
353	P	89.9	Confident	88.7	Confident	86 Å²	86	52.9 Å²	52.9	56%	0.558	30%	0.297	S	S	*	.	S	Bend	cis	-82.9	-16.5	5.4	33.4	-35.1	0	0	0	114.2	A311	A311-P353 WeakPolarHBondContact O-CD 3.45Å
354	S	86.6	Confident	90	Very high	85 Å²	85	49.4 Å²	49.4	59%	0.594	28%	0.276	S	S	*	.	S	Bend	trans	-119.3	-177	-175.1	-59.1	0	0	0	0	111	S351	S351-S354 CarbonylContact C-O 3.48Å; S351-S354 VanDerWaalsContact C-O 3.29Å; S351-S354 WeakPolarHBondContact CB-O 3.29Å; S351-S354 PolarHBondContact OG-O 2.83Å
355	D	87.9	Confident	90.9	Very high	146 Å²	146	46.5 Å²	46.5	78%	0.781	26%	0.26	S	S	*	.	S	Bend	trans	-56.8	168.2	174.8	-64.7	-40.1	0	0	0	112.6	S351	S351-D355 PolarHBondContact OG-O 3.32Å
356	R	89.8	Confident	91.5	Very high	81 Å²	81	47 Å²	47	31%	0.306	26%	0.263	S	S	.	.			trans	-46.7	124.7	-178.7	178.7	174.9	64.6	172.7	-0.8	111.5	D344 A348 S351 V358 W361	D344-R356 IonicContact OD1-NH1 3.32Å; D344-R356 IonicContact OD1-NH2 2.63Å; A348-R356 HydrophobicContact CB-CB 3.97Å; A348-R356 HydrophobicContact CB-CG 3.98Å; S351-R356 WeakPolarHBondContact OG-CA 3.38Å; S351-R356 PolarHBondContact OG-N 3.38Å; R356-V358 PolarHBondContact O-N 2.92Å; R356-W361 HydrophobicContact CG-CD2 3.86Å; R356-W361 HydrophobicContact CG-CE3 3.62Å; R356-W361 HydrophobicContact CG-CH2 4.07Å; R356-W361 HydrophobicContact CG-CZ2 4.28Å; R356-W361 HydrophobicContact CG-CZ3 3.74Å
357	P	92.4	Very high	92	Very high	26 Å²	26	46.7 Å²	46.7	17%	0.169	26%	0.262	C	S	.	.			trans	-74.7	89.9	179.3	29.8	-35	0	0	0	111	N312 M359 H360 W361 I407	N312-P357 HydrophobicContact CB-CG 3.98Å; P357-M359 VanDerWaalsContact C-N 3.29Å; P357-M359 PolarHBondContact O-N 2.86Å; P357-H360 HydrophobicContact CB-CB 4.33Å; P357-H360 HydrophobicContact CG-CB 4.45Å; P357-H360 PolarHBondContact O-N 3.35Å; P357-H360 VanDerWaalsContact O-N 3.08Å; P357-W361 HydrophobicContact CG-CE3 4.47Å; P357-W361 HydrophobicContact CG-CZ3 4.47Å; P357-W361 PolarHBondContact O-N 3.26Å; P357-I407 HydrophobicContact CG-CD1 3.68Å
358	V	91.1	Very high	92.4	Very high	100 Å²	100	46.1 Å²	46.1	61%	0.606	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-55.1	-41.3	-171	-179.2	0	0	0	0	112.8	R356 H360 W361	R356-V358 PolarHBondContact O-N 2.92Å; V358-H360 VanDerWaalsContact C-N 3.26Å; V358-H360 PolarHBondContact O-N 3.19Å; V358-W361 PolarHBondContact O-N 3.21Å
359	M	92.6	Very high	92.5	Very high	169 Å²	169	48.9 Å²	48.9	83%	0.833	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-67	-25.9	-177.7	-61	-57	-71.3	0	0	113.5	P357	P357-M359 VanDerWaalsContact C-N 3.29Å; P357-M359 PolarHBondContact O-N 2.86Å
360	H	94.9	Very high	92.8	Very high	22 Å²	22	54.2 Å²	54.2	10%	0.102	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-89.7	-18.1	179.7	-71.3	-75.8	0	0	0	113.1	P357 V358 N363 V364 S391 Y393 I407 E409	P357-H360 HydrophobicContact CB-CB 4.33Å; P357-H360 HydrophobicContact CG-CB 4.45Å; P357-H360 PolarHBondContact O-N 3.35Å; P357-H360 VanDerWaalsContact O-N 3.08Å; V358-H360 VanDerWaalsContact C-N 3.26Å; V358-H360 PolarHBondContact O-N 3.19Å; H360-N363 PolarHBondContact O-N 2.94Å; H360-V364 WeakPolarHBondContact O-CG2 3.38Å; H360-V364 PolarHBondContact O-N 3.04Å; H360-V364 VanDerWaalsContact O-N 3.1Å; H360-S391 PolarHBondContact CE1-OG 3.07Å; H360-Y393 HydrophobicContact CB-CE1 4.15Å; H360-Y393 AromaticContact ND1-CE1 3.8Å; H360-Y393 AromaticContact ND1-CZ 3.71Å; H360-Y393 PolarHBondContact ND1-OH 3.22Å; H360-I407 HydrophobicContact CB-CD1 3.87Å; H360-E409 IonicContact NE2-OE1 2.94Å
361	W	94.1	Very high	93	Very high	3 Å²	3	58.3 Å²	58.3	1%	0.011	32%	0.318	C	S	.	.	H	α-helix	trans	-60.2	-39.6	-171.3	-140.2	-112.3	0	0	0	114.8	I316 Y346 A348 R356 P357 V358 N363 V364 I365	I316-W361 HydrophobicContact CD1-CH2 3.75Å; I316-W361 HydrophobicContact CD1-CZ2 3.95Å; I316-W361 HydrophobicContact CD1-CZ3 4.46Å; I316-W361 HydrophobicContact CG1-CH2 3.62Å; I316-W361 HydrophobicContact CG1-CZ2 3.85Å; I316-W361 HydrophobicContact CG2-CZ2 4.28Å; Y346-W361 VanDerWaalsContact O-CE2 3.24Å; Y346-W361 WeakPolarHBondContact O-CZ2 3.25Å; Y346-W361 PolarHBondContact O-NE1 3.27Å; A348-W361 HydrophobicContact CB-CH2 3.53Å; A348-W361 HydrophobicContact CB-CZ2 3.96Å; A348-W361 HydrophobicContact CB-CZ3 4.3Å; R356-W361 HydrophobicContact CG-CD2 3.86Å; R356-W361 HydrophobicContact CG-CE3 3.62Å; R356-W361 HydrophobicContact CG-CH2 4.07Å; R356-W361 HydrophobicContact CG-CZ2 4.28Å; R356-W361 HydrophobicContact CG-CZ3 3.74Å; P357-W361 HydrophobicContact CG-CE3 4.47Å; P357-W361 HydrophobicContact CG-CZ3 4.47Å; P357-W361 PolarHBondContact O-N 3.26Å; V358-W361 PolarHBondContact O-N 3.21Å; W361-N363 VanDerWaalsContact C-N 3.32Å; W361-N363 PolarHBondContact O-N 3.45Å; W361-V364 PolarHBondContact O-N 2.74Å; W361-I365 WeakPolarHBondContact O-CG1 3.44Å; W361-I365 PolarHBondContact O-N 2.83Å
362	P	93	Very high	93	Very high	77 Å²	77	59 Å²	59	50%	0.5	32%	0.321	S	S	.	.	H	α-helix	trans	-57.1	-43.7	175	-26.7	36.2	0	0	0	112.9	I365 M366	P362-I365 PolarHBondContact O-N 3.08Å; P362-M366 WeakPolarHBondContact O-CB 3.39Å; P362-M366 PolarHBondContact O-N 3.34Å
363	N	95.3	Very high	93.1	Very high	27 Å²	27	63.1 Å²	63.1	14%	0.144	35%	0.35	C	S	.	.	H	α-helix	trans	-65.9	-41.3	177.3	-78.5	-4.8	0	0	0	111.7	H360 W361 I365 M366 I367 D386 Y393	H360-N363 PolarHBondContact O-N 2.94Å; W361-N363 VanDerWaalsContact C-N 3.32Å; W361-N363 PolarHBondContact O-N 3.45Å; N363-I365 PolarHBondContact O-N 2.65Å; N363-M366 PolarHBondContact O-N 3.2Å; N363-I367 VanDerWaalsContact O-CD1 3.28Å; N363-I367 WeakPolarHBondContact O-CD1 3.43Å; N363-I367 WeakPolarHBondContact O-CG1 3.14Å; N363-I367 PolarHBondContact O-N 3.04Å; N363-D386 PolarHBondContact ND2-OD2 3.17Å; N363-Y393 HydrophobicContact CB-CE1 4.28Å; N363-Y393 HydrophobicContact CB-CE2 4.33Å; N363-Y393 PolarHBondContact ND2-OH 3.04Å
364	V	95.8	Very high	93.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59.5	-46.9	176.3	173.9	0	0	0	0	111.1	I316 H360 W361 I367 M368 Y393 L395 V405 I407	I316-V364 HydrophobicContact CD1-CG1 3.38Å; H360-V364 WeakPolarHBondContact O-CG2 3.38Å; H360-V364 PolarHBondContact O-N 3.04Å; H360-V364 VanDerWaalsContact O-N 3.1Å; W361-V364 PolarHBondContact O-N 2.74Å; V364-I367 PolarHBondContact O-N 3.49Å; V364-M368 HydrophobicContact CG1-SD 4.07Å; V364-M368 WeakPolarHBondContact O-CB 3.42Å; V364-M368 VanDerWaalsContact O-CG 3.31Å; V364-M368 WeakPolarHBondContact O-CG 3.31Å; V364-M368 PolarHBondContact O-N 2.96Å; V364-Y393 HydrophobicContact CG2-CD1 4.03Å; V364-Y393 HydrophobicContact CG2-CE1 4.13Å; V364-L395 HydrophobicContact CG1-CD2 4.4Å; V364-V405 HydrophobicContact CG1-CG1 4.39Å; V364-V405 HydrophobicContact CG1-CG2 4.49Å; V364-V405 HydrophobicContact CG2-CG2 4.12Å; V364-I407 HydrophobicContact CG2-CD1 4.28Å
365	I	93.4	Very high	93.7	Very high	29 Å²	29	56.2 Å²	56.2	15%	0.149	30%	0.302	C	S	.	.	H	α-helix	trans	-64.6	-43	178.7	-67.2	171.2	0	0	0	111.3	V343 Y346 W361 P362 N363 M368 T369	V343-I365 HydrophobicContact CB-CD1 4.24Å; V343-I365 HydrophobicContact CG1-CD1 3.89Å; V343-I365 HydrophobicContact CG2-CD1 4.39Å; Y346-I365 HydrophobicContact CD2-CD1 3.89Å; Y346-I365 HydrophobicContact CD2-CG1 3.74Å; Y346-I365 HydrophobicContact CD2-CG2 4.08Å; Y346-I365 HydrophobicContact CE2-CG1 4.34Å; Y346-I365 HydrophobicContact CE2-CG2 3.84Å; Y346-I365 HydrophobicContact CG-CG1 4.22Å; W361-I365 WeakPolarHBondContact O-CG1 3.44Å; W361-I365 PolarHBondContact O-N 2.83Å; P362-I365 PolarHBondContact O-N 3.08Å; N363-I365 PolarHBondContact O-N 2.65Å; I365-M368 PolarHBondContact O-N 3.06Å; I365-T369 WeakPolarHBondContact O-CB 3.38Å; I365-T369 PolarHBondContact O-N 3.48Å; I365-T369 PolarHBondContact O-OG1 3.18Å
366	M	94.2	Very high	94	Very high	68 Å²	68	53.8 Å²	53.8	34%	0.335	29%	0.289	S	S	.	.	H	α-helix	trans	-56.2	-52.7	174.9	178.1	-166.1	72.8	0	0	110.5	P362 N363 M368 T369 D370 F384	P362-M366 WeakPolarHBondContact O-CB 3.39Å; P362-M366 PolarHBondContact O-N 3.34Å; N363-M366 PolarHBondContact O-N 3.2Å; M366-M368 VanDerWaalsContact C-N 3.34Å; M366-M368 PolarHBondContact O-N 3.47Å; M366-T369 WeakPolarHBondContact O-CB 2.94Å; M366-T369 PolarHBondContact O-N 2.82Å; M366-T369 VanDerWaalsContact O-N 3.08Å; M366-D370 WeakPolarHBondContact CG-OD2 3.45Å; M366-D370 PolarHBondContact O-N 3.02Å; M366-F384 HydrophobicContact CE-CE1 3.76Å; M366-F384 HydrophobicContact CE-CE2 4.32Å; M366-F384 HydrophobicContact CE-CZ 3.59Å
367	I	96.3	Very high	94.1	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-60.6	-43.8	179.7	-61	155.9	0	0	0	111.1	N363 V364 T369 D370 R371 V382 F384 Y393 L395	N363-I367 VanDerWaalsContact O-CD1 3.28Å; N363-I367 WeakPolarHBondContact O-CD1 3.43Å; N363-I367 WeakPolarHBondContact O-CG1 3.14Å; N363-I367 PolarHBondContact O-N 3.04Å; V364-I367 PolarHBondContact O-N 3.49Å; I367-T369 PolarHBondContact O-N 3.22Å; I367-D370 PolarHBondContact O-N 3.04Å; I367-R371 HydrophobicContact CG2-CG 4.23Å; I367-R371 VanDerWaalsContact O-CB 3.27Å; I367-R371 WeakPolarHBondContact O-CB 3.36Å; I367-R371 PolarHBondContact O-N 2.96Å; I367-V382 HydrophobicContact CG2-CG1 3.82Å; I367-F384 HydrophobicContact CD1-CB 3.76Å; I367-F384 HydrophobicContact CD1-CD1 3.55Å; I367-F384 HydrophobicContact CD1-CE1 4.35Å; I367-F384 HydrophobicContact CD1-CG 3.82Å; I367-F384 HydrophobicContact CG1-CB 3.98Å; I367-F384 HydrophobicContact CG1-CD1 3.81Å; I367-F384 HydrophobicContact CG1-CD2 4.36Å; I367-F384 HydrophobicContact CG1-CE1 4.36Å; I367-F384 HydrophobicContact CG1-CG 3.8Å; I367-F384 HydrophobicContact CG2-CB 4.45Å; I367-Y393 HydrophobicContact CD1-CD1 4.31Å; I367-Y393 HydrophobicContact CD1-CD2 3.92Å; I367-Y393 HydrophobicContact CD1-CG 3.73Å; I367-L395 HydrophobicContact CB-CD1 4.4Å; I367-L395 HydrophobicContact CB-CD2 4.46Å; I367-L395 HydrophobicContact CD1-CD1 4.21Å; I367-L395 HydrophobicContact CG2-CD1 3.73Å; I367-L395 HydrophobicContact CG2-CD2 4.16Å
368	M	94.9	Very high	94.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.4	-34.2	177.6	-76.2	178.3	59.6	0	0	112.5	I316 Y346 V364 I365 M366 T372 L375 L395 T403	I316-M368 HydrophobicContact CD1-SD 3.75Å; I316-M368 HydrophobicContact CG2-CE 4.2Å; I316-M368 HydrophobicContact CG2-SD 4.25Å; Y346-M368 HydrophobicContact CD1-CE 3.59Å; Y346-M368 HydrophobicContact CD1-SD 4.46Å; Y346-M368 HydrophobicContact CE1-CE 3.6Å; V364-M368 HydrophobicContact CG1-SD 4.07Å; V364-M368 WeakPolarHBondContact O-CB 3.42Å; V364-M368 VanDerWaalsContact O-CG 3.31Å; V364-M368 WeakPolarHBondContact O-CG 3.31Å; V364-M368 PolarHBondContact O-N 2.96Å; I365-M368 PolarHBondContact O-N 3.06Å; M366-M368 VanDerWaalsContact C-N 3.34Å; M366-M368 PolarHBondContact O-N 3.47Å; M368-T372 PolarHBondContact O-N 2.63Å; M368-T372 PolarHBondContact O-OG1 3.17Å; M368-L375 HydrophobicContact CB-CD1 4.37Å; M368-L375 HydrophobicContact CG-CD1 4.18Å; M368-L395 HydrophobicContact CG-CD2 3.62Å; M368-T403 HydrophobicContact CE-CG2 4.37Å; M368-T403 HydrophobicContact CG-CG2 4.29Å; M368-T403 HydrophobicContact SD-CG2 4.21Å
369	T	92.7	Very high	94.1	Very high	68 Å²	68	50.9 Å²	50.9	42%	0.417	27%	0.274	S	S	.	.	H	α-helix	trans	-76.5	-52.3	179.1	-56.1	0	0	0	0	110.6	I365 M366 I367 R371 T372	I365-T369 WeakPolarHBondContact O-CB 3.38Å; I365-T369 PolarHBondContact O-N 3.48Å; I365-T369 PolarHBondContact O-OG1 3.18Å; M366-T369 WeakPolarHBondContact O-CB 2.94Å; M366-T369 PolarHBondContact O-N 2.82Å; M366-T369 VanDerWaalsContact O-N 3.08Å; I367-T369 PolarHBondContact O-N 3.22Å; T369-R371 VanDerWaalsContact C-N 3.31Å; T369-R371 PolarHBondContact O-N 3.02Å; T369-T372 WeakPolarHBondContact O-CB 3.44Å; T369-T372 PolarHBondContact O-N 3.49Å; T369-T372 PolarHBondContact O-OG1 3.49Å
370	D	95.8	Very high	94.2	Very high	112 Å²	112	47.8 Å²	47.8	60%	0.599	26%	0.256	S	S	*	.	H	α-helix	trans	-66.5	-33.4	-176.8	-66.8	-13.4	0	0	0	112.4	M366 I367	M366-D370 WeakPolarHBondContact CG-OD2 3.45Å; M366-D370 PolarHBondContact O-N 3.02Å; I367-D370 PolarHBondContact O-N 3.04Å
371	R	96.1	Very high	94.3	Very high	91 Å²	91	48.3 Å²	48.3	34%	0.343	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	26.6	-178.2	-53	-63.5	-66.2	-83.9	0.2	112.5	I367 T369 S373 D374 L375 V382	I367-R371 HydrophobicContact CG2-CG 4.23Å; I367-R371 VanDerWaalsContact O-CB 3.27Å; I367-R371 WeakPolarHBondContact O-CB 3.36Å; I367-R371 PolarHBondContact O-N 2.96Å; T369-R371 VanDerWaalsContact C-N 3.31Å; T369-R371 PolarHBondContact O-N 3.02Å; R371-S373 VanDerWaalsContact C-N 3.3Å; R371-S373 PolarHBondContact O-N 3.45Å; R371-D374 IonicContact CZ-OD2 2.82Å; R371-D374 VanDerWaalsContact CZ-OD2 3.24Å; R371-D374 IonicContact NE-OD2 3.64Å; R371-D374 PolarHBondContact NE-OD2 2.9Å; R371-D374 IonicContact NH2-OD2 3.78Å; R371-D374 PolarHBondContact NH2-OD2 2.89Å; R371-D374 PolarHBondContact O-N 3.28Å; R371-L375 WeakPolarHBondContact O-CG 3.47Å; R371-L375 PolarHBondContact O-N 2.95Å; R371-V382 HydrophobicContact CB-CG1 3.97Å; R371-V382 HydrophobicContact CB-CG2 4.02Å; R371-V382 HydrophobicContact CG-CG1 3.81Å
372	T	93.7	Very high	94.5	Very high	39 Å²	39	48.2 Å²	48.2	24%	0.239	26%	0.26	C	S	.	.	H	α-helix	trans	-54.9	-42.7	-179.5	-66.5	0	0	0	0	112.3	M368 T369 L375 N376	M368-T372 PolarHBondContact O-N 2.63Å; M368-T372 PolarHBondContact O-OG1 3.17Å; T369-T372 WeakPolarHBondContact O-CB 3.44Å; T369-T372 PolarHBondContact O-N 3.49Å; T369-T372 PolarHBondContact O-OG1 3.49Å; T372-L375 PolarHBondContact O-N 3.09Å; T372-N376 WeakPolarHBondContact CG2-ND2 3.27Å; T372-N376 VanDerWaalsContact O-CB 3.25Å; T372-N376 WeakPolarHBondContact O-CB 3.42Å; T372-N376 VanDerWaalsContact O-CG 3.3Å; T372-N376 PolarHBondContact O-N 3.1Å
373	S	93.7	Very high	94.7	Very high	94 Å²	94	46.6 Å²	46.6	66%	0.657	25%	0.246	S	C	*	.	H	α-helix	trans	-64.4	-41.3	-178.7	56.6	0	0	0	0	112.6	R371 S377	R371-S373 VanDerWaalsContact C-N 3.3Å; R371-S373 PolarHBondContact O-N 3.45Å; S373-S377 PolarHBondContact O-N 2.98Å
374	D	95.3	Very high	94.9	Very high	26 Å²	26	48.4 Å²	48.4	14%	0.139	25%	0.253	C	S	.	.	H	α-helix	trans	-67.6	-45	176.6	-73.9	-39.7	0	0	0	111.4	R371 S377 K380 V382	R371-D374 IonicContact CZ-OD2 2.82Å; R371-D374 VanDerWaalsContact CZ-OD2 3.24Å; R371-D374 IonicContact NE-OD2 3.64Å; R371-D374 PolarHBondContact NE-OD2 2.9Å; R371-D374 IonicContact NH2-OD2 3.78Å; R371-D374 PolarHBondContact NH2-OD2 2.89Å; R371-D374 PolarHBondContact O-N 3.28Å; D374-S377 VanDerWaalsContact O-CB 3.31Å; D374-S377 WeakPolarHBondContact O-CB 2.87Å; D374-S377 PolarHBondContact O-N 2.96Å; D374-S377 PolarHBondContact O-OG 2.91Å; D374-S377 VanDerWaalsContact O-OG 3.13Å; D374-K380 HydrophobicContact CB-CD 3.91Å; D374-K380 WeakPolarHBondContact OD1-CD 3.45Å; D374-K380 IonicContact OD1-NZ 2.61Å; D374-K380 PolarHBondContact OD1-NZ 2.85Å; D374-V382 HydrophobicContact CB-CG2 3.87Å
375	L	94.9	Very high	95	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-66.5	-39	178.6	-67.9	171.7	0	0	0	111.6	M368 R371 T372 S377 L378 V382 L395 R397	M368-L375 HydrophobicContact CB-CD1 4.37Å; M368-L375 HydrophobicContact CG-CD1 4.18Å; R371-L375 WeakPolarHBondContact O-CG 3.47Å; R371-L375 PolarHBondContact O-N 2.95Å; T372-L375 PolarHBondContact O-N 3.09Å; L375-S377 PolarHBondContact O-N 2.84Å; L375-S377 VanDerWaalsContact O-N 3.14Å; L375-L378 PolarHBondContact O-N 3.07Å; L375-V382 HydrophobicContact CD2-CB 4.39Å; L375-V382 HydrophobicContact CD2-CG2 3.85Å; L375-V382 HydrophobicContact CG-CG2 4.03Å; L375-L395 HydrophobicContact CD2-CB 4.07Å; L375-R397 HydrophobicContact CB-CB 4.17Å; L375-R397 HydrophobicContact CD2-CB 4.42Å; L375-R397 VanDerWaalsContact O-CB 3.24Å; L375-R397 WeakPolarHBondContact O-CB 3.28Å
376	N	93.6	Very high	95.1	Very high	95 Å²	95	50.3 Å²	50.3	51%	0.508	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-10.4	176.4	-78.5	-13.5	0	0	0	114	T372 L378 R397	T372-N376 WeakPolarHBondContact CG2-ND2 3.27Å; T372-N376 VanDerWaalsContact O-CB 3.25Å; T372-N376 WeakPolarHBondContact O-CB 3.42Å; T372-N376 VanDerWaalsContact O-CG 3.3Å; T372-N376 PolarHBondContact O-N 3.1Å; N376-L378 PolarHBondContact O-N 2.98Å; N376-R397 PolarHBondContact OD1-NH1 3.32Å
377	S	93.1	Very high	95.1	Very high	30 Å²	30	52.1 Å²	52.1	21%	0.21	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-15.7	169.2	102.2	0	0	0	0	112.7	S373 D374 L375 E379 K380	S373-S377 PolarHBondContact O-N 2.98Å; D374-S377 VanDerWaalsContact O-CB 3.31Å; D374-S377 WeakPolarHBondContact O-CB 2.87Å; D374-S377 PolarHBondContact O-N 2.96Å; D374-S377 PolarHBondContact O-OG 2.91Å; D374-S377 VanDerWaalsContact O-OG 3.13Å; L375-S377 PolarHBondContact O-N 2.84Å; L375-S377 VanDerWaalsContact O-N 3.14Å; S377-E379 PolarHBondContact O-N 3.47Å; S377-E379 PolarHBondContact OG-N 3.31Å; S377-K380 PolarHBondContact OG-N 3.34Å
378	L	91.8	Very high	95	Very high	14 Å²	14	61.3 Å²	61.3	7%	0.073	31%	0.311	C	S	.	.	S	Bend	trans	60.9	-0.1	-176.2	-50.4	-178.9	0	0	0	115.4	K153 F154 L375 N376 R397 K431	K153-L378 HydrophobicContact CB-CD1 4.48Å; F154-L378 HydrophobicContact CB-CD1 3.91Å; L375-L378 PolarHBondContact O-N 3.07Å; N376-L378 PolarHBondContact O-N 2.98Å; L378-R397 VanDerWaalsContact CA-O 3.31Å; L378-R397 WeakPolarHBondContact CA-O 2.78Å; L378-R397 HydrophobicContact CD2-CB 4.16Å; L378-R397 HydrophobicContact CD2-CG 3.61Å; L378-K431 VanDerWaalsContact O-CE 3.29Å; L378-K431 WeakPolarHBondContact O-CE 3.28Å; L378-K431 PolarHBondContact O-NZ 2.86Å
379	E	91.1	Very high	95	Very high	101 Å²	101	64.8 Å²	64.8	47%	0.472	33%	0.332	S	S	.	.	S	Bend	trans	-120.6	-16	-170.7	-70.3	172.7	161.3	0	0	112.8	K153 S377	K153-E379 HydrophobicContact CD-CG 4.31Å; K153-E379 WeakPolarHBondContact CD-OE1 3.18Å; K153-E379 VanDerWaalsContact CE-CD 3.47Å; K153-E379 WeakPolarHBondContact CE-OE1 3.49Å; K153-E379 VanDerWaalsContact CE-OE2 3.3Å; K153-E379 WeakPolarHBondContact CE-OE2 3.47Å; K153-E379 WeakPolarHBondContact CG-OE1 3.46Å; K153-E379 IonicContact NZ-OE1 3.02Å; K153-E379 IonicContact NZ-OE2 3.99Å; K153-E379 PolarHBondContact NZ-OE2 2.94Å; S377-E379 PolarHBondContact O-N 3.47Å; S377-E379 PolarHBondContact OG-N 3.31Å
380	K	94.3	Very high	95.2	Very high	104 Å²	104	66.1 Å²	66.1	45%	0.452	33%	0.334	S	S	.	.			trans	-87.8	149.1	-177.7	-73	176.1	170.1	179.8	0	111.5	D374 S377 T396	D374-K380 HydrophobicContact CB-CD 3.91Å; D374-K380 WeakPolarHBondContact OD1-CD 3.45Å; D374-K380 IonicContact OD1-NZ 2.61Å; D374-K380 PolarHBondContact OD1-NZ 2.85Å; S377-K380 PolarHBondContact OG-N 3.34Å; K380-T396 PolarHBondContact O-OG1 3.46Å
381	V	97.4	Very high	95.3	Very high	34 Å²	34	61 Å²	61	21%	0.206	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.4	163.3	-179.9	0	0	0	0	107	F394 L395 I420 L423 N424	V381-F394 HydrophobicContact CG1-CB 4.36Å; V381-F394 HydrophobicContact CG1-CD1 4.18Å; V381-L395 CarbonylContact C-O 3.55Å; V381-L395 WeakPolarHBondContact CA-O 3.38Å; V381-I420 HydrophobicContact CB-CG2 4.4Å; V381-I420 HydrophobicContact CG1-CG1 4.35Å; V381-I420 HydrophobicContact CG2-CG2 4.13Å; V381-L423 HydrophobicContact CG1-CD1 3.63Å; V381-L423 HydrophobicContact CG2-CB 3.99Å; V381-N424 WeakPolarHBondContact CG2-OD1 3.19Å
382	V	97.8	Very high	95.4	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129	176	171.7	0	0	0	0	108.4	I367 R371 D374 L375 F394 L395	I367-V382 HydrophobicContact CG2-CG1 3.82Å; R371-V382 HydrophobicContact CB-CG1 3.97Å; R371-V382 HydrophobicContact CB-CG2 4.02Å; R371-V382 HydrophobicContact CG-CG1 3.81Å; D374-V382 HydrophobicContact CB-CG2 3.87Å; L375-V382 HydrophobicContact CD2-CB 4.39Å; L375-V382 HydrophobicContact CD2-CG2 3.85Å; L375-V382 HydrophobicContact CG-CG2 4.03Å; V382-F394 CarbonylContact O-C 3.59Å; V382-F394 VanDerWaalsContact O-CA 3.27Å; V382-F394 WeakPolarHBondContact O-CA 3.47Å; V382-L395 HydrophobicContact CB-CB 4.4Å; V382-L395 PolarHBondContact N-O 3.25Å; V382-L395 PolarHBondContact O-N 3.36Å
383	H	98.1	Very high	95.6	Very high	43 Å²	43	54.8 Å²	54.8	20%	0.199	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	143.3	169.2	168.3	-88.1	0	0	0	109.8	T392 Y393 F394 K412 E414	H383-T392 VanDerWaalsContact NE2-CG2 3.28Å; H383-T392 WeakPolarHBondContact NE2-CG2 3.38Å; H383-Y393 WeakPolarHBondContact CA-O 3.34Å; H383-F394 HydrophobicContact CB-CD1 4.19Å; H383-F394 HydrophobicContact CB-CE1 4.13Å; H383-F394 AromaticContact CD2-CE1 3.52Å; H383-F394 AromaticContact CD2-CZ 3.49Å; H383-F394 VanDerWaalsContact CD2-CZ 3.49Å; H383-F394 WeakPolarHBondContact CD2-CZ 3.35Å; H383-K412 PolarHBondContact NE2-O 3.06Å; H383-E414 HydrophobicContact CB-CB 4.03Å
384	F	98.1	Very high	95.9	Very high	65 Å²	65	50.3 Å²	50.3	29%	0.285	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	134.7	171.1	-176	-98	0	0	0	109.9	M366 I367 D386 T392 Y393	M366-F384 HydrophobicContact CE-CE1 3.76Å; M366-F384 HydrophobicContact CE-CE2 4.32Å; M366-F384 HydrophobicContact CE-CZ 3.59Å; I367-F384 HydrophobicContact CD1-CB 3.76Å; I367-F384 HydrophobicContact CD1-CD1 3.55Å; I367-F384 HydrophobicContact CD1-CE1 4.35Å; I367-F384 HydrophobicContact CD1-CG 3.82Å; I367-F384 HydrophobicContact CG1-CB 3.98Å; I367-F384 HydrophobicContact CG1-CD1 3.81Å; I367-F384 HydrophobicContact CG1-CD2 4.36Å; I367-F384 HydrophobicContact CG1-CE1 4.36Å; I367-F384 HydrophobicContact CG1-CG 3.8Å; I367-F384 HydrophobicContact CG2-CB 4.45Å; F384-D386 HydrophobicContact CD1-CB 4.5Å; F384-D386 HydrophobicContact CE1-CB 3.88Å; F384-T392 CarbonylContact O-C 3.52Å; F384-T392 WeakPolarHBondContact O-CA 3.5Å; F384-Y393 AromaticContact CD1-CD2 3.94Å; F384-Y393 HydrophobicContact CD1-CD2 3.94Å; F384-Y393 HydrophobicContact CD1-CE2 4.42Å; F384-Y393 PolarHBondContact N-O 2.77Å; F384-Y393 PolarHBondContact O-N 2.93Å
385	Y	97.9	Very high	96	Very high	46 Å²	46	49.1 Å²	49.1	18%	0.18	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.7	171.6	170.8	-108.4	0	0	0	109.3	D387 Q390 S391 T392 K411	Y385-D387 HydrophobicContact CE1-CB 4.01Å; Y385-D387 PolarHBondContact OH-OD1 2.93Å; Y385-Q390 VanDerWaalsContact OH-CD 3.26Å; Y385-Q390 PolarHBondContact OH-NE2 2.83Å; Y385-Q390 PolarHBondContact OH-OE1 3.48Å; Y385-S391 WeakPolarHBondContact CD2-O 3.4Å; Y385-T392 WeakPolarHBondContact CD2-OG1 3.3Å; Y385-K411 HydrophobicContact CD1-CG 4.44Å; Y385-K411 HydrophobicContact CD2-CB 4.17Å; Y385-K411 HydrophobicContact CD2-CG 3.99Å; Y385-K411 HydrophobicContact CE1-CD 3.96Å; Y385-K411 HydrophobicContact CE1-CG 4.17Å; Y385-K411 HydrophobicContact CE2-CB 3.55Å; Y385-K411 HydrophobicContact CE2-CD 4.27Å; Y385-K411 HydrophobicContact CE2-CG 3.7Å; Y385-K411 HydrophobicContact CG-CG 4.33Å
386	D	96.6	Very high	96.2	Very high	23 Å²	23	49 Å²	49	12%	0.123	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	111.5	174.5	-169.7	-20.9	0	0	0	109.6	N363 F384 K388 V389 Q390 S391 Y393	N363-D386 PolarHBondContact ND2-OD2 3.17Å; F384-D386 HydrophobicContact CD1-CB 4.5Å; F384-D386 HydrophobicContact CE1-CB 3.88Å; D386-K388 VanDerWaalsContact C-N 3.3Å; D386-K388 PolarHBondContact O-N 3.44Å; D386-K388 WeakPolarHBondContact OD1-CB 3.45Å; D386-K388 PolarHBondContact OD1-N 3.12Å; D386-V389 HydrophobicContact CB-CG2 3.68Å; D386-Q390 VanDerWaalsContact O-CA 3.29Å; D386-Q390 WeakPolarHBondContact O-CA 3.27Å; D386-Q390 PolarHBondContact O-N 3.23Å; D386-S391 PolarHBondContact N-O 2.95Å; D386-S391 PolarHBondContact O-N 3.38Å; D386-S391 VanDerWaalsContact O-N 3.09Å; D386-Y393 HydrophobicContact CB-CE2 4.2Å
387	D	94.6	Very high	96.3	Very high	106 Å²	106	44.6 Å²	44.6	57%	0.567	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-25.7	179	-167.7	62.7	0	0	0	112.7	Y385 Q390	Y385-D387 HydrophobicContact CE1-CB 4.01Å; Y385-D387 PolarHBondContact OH-OD1 2.93Å; D387-Q390 PolarHBondContact O-NE2 2.95Å; D387-Q390 PolarHBondContact OD1-NE2 3.04Å
388	K	94.1	Very high	96.3	Very high	194 Å²	194	43.2 Å²	43.2	84%	0.843	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-39.9	-179.3	-64.8	-179.9	178.6	176.9	0	112.2	D386	D386-K388 VanDerWaalsContact C-N 3.3Å; D386-K388 PolarHBondContact O-N 3.44Å; D386-K388 WeakPolarHBondContact OD1-CB 3.45Å; D386-K388 PolarHBondContact OD1-N 3.12Å
389	V	94.2	Very high	96.3	Very high	74 Å²	74	43 Å²	43	45%	0.448	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	8.6	177.9	-57	0	0	0	0	112.6	D386 S391	D386-V389 HydrophobicContact CB-CG2 3.68Å; V389-S391 PolarHBondContact O-N 3.13Å; V389-S391 VanDerWaalsContact O-N 3.08Å; V389-S391 PolarHBondContact O-OG 3.28Å
390	Q	96.7	Very high	96.2	Very high	96 Å²	96	40.4 Å²	40.4	45%	0.449	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	37.7	177.8	-68.7	-66.7	-41.4	0	0	113.9	Y385 D386 D387 E409 S410	Y385-Q390 VanDerWaalsContact OH-CD 3.26Å; Y385-Q390 PolarHBondContact OH-NE2 2.83Å; Y385-Q390 PolarHBondContact OH-OE1 3.48Å; D386-Q390 VanDerWaalsContact O-CA 3.29Å; D386-Q390 WeakPolarHBondContact O-CA 3.27Å; D386-Q390 PolarHBondContact O-N 3.23Å; D387-Q390 PolarHBondContact O-NE2 2.95Å; D387-Q390 PolarHBondContact OD1-NE2 3.04Å; Q390-E409 CarbonylContact O-C 3.54Å; Q390-S410 CarbonylContact O-C 3.48Å; Q390-S410 WeakPolarHBondContact O-CA 3.31Å; Q390-S410 PolarHBondContact O-N 3.13Å
391	S	98.1	Very high	96.1	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.7	-171.1	-60.6	0	0	0	0	112.8	H360 Y385 D386 V389 F408	H360-S391 PolarHBondContact CE1-OG 3.07Å; Y385-S391 WeakPolarHBondContact CD2-O 3.4Å; D386-S391 PolarHBondContact N-O 2.95Å; D386-S391 PolarHBondContact O-N 3.38Å; D386-S391 VanDerWaalsContact O-N 3.09Å; V389-S391 PolarHBondContact O-N 3.13Å; V389-S391 VanDerWaalsContact O-N 3.08Å; V389-S391 PolarHBondContact O-OG 3.28Å; S391-F408 CarbonylContact C-O 3.51Å; S391-F408 WeakPolarHBondContact CA-O 3.42Å; S391-F408 WeakPolarHBondContact CB-O 3.2Å
392	T	98.5	Very high	95.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	140.2	177.6	-47.7	0	0	0	0	111.5	H383 F384 Y385 F394 F408 S410 K411 K412	H383-T392 VanDerWaalsContact NE2-CG2 3.28Å; H383-T392 WeakPolarHBondContact NE2-CG2 3.38Å; F384-T392 CarbonylContact O-C 3.52Å; F384-T392 WeakPolarHBondContact O-CA 3.5Å; Y385-T392 WeakPolarHBondContact CD2-OG1 3.3Å; T392-F394 HydrophobicContact CG2-CD2 4.31Å; T392-F394 HydrophobicContact CG2-CE2 3.79Å; T392-F394 HydrophobicContact CG2-CZ 4.34Å; T392-F408 PolarHBondContact N-O 3.34Å; T392-F408 PolarHBondContact O-N 3.08Å; T392-S410 WeakPolarHBondContact CB-O 3.27Å; T392-S410 PolarHBondContact N-O 3.31Å; T392-S410 PolarHBondContact OG1-O 3.23Å; T392-K411 WeakPolarHBondContact OG1-CA 3.39Å; T392-K412 HydrophobicContact CG2-CB 3.9Å; T392-K412 PolarHBondContact OG1-N 2.78Å
393	Y	98.6	Very high	95.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	132.4	-177.5	-52.6	-95.6	0	0	0	109.7	H360 N363 V364 I367 H383 F384 D386 V406 I407	H360-Y393 HydrophobicContact CB-CE1 4.15Å; H360-Y393 AromaticContact ND1-CE1 3.8Å; H360-Y393 AromaticContact ND1-CZ 3.71Å; H360-Y393 PolarHBondContact ND1-OH 3.22Å; N363-Y393 HydrophobicContact CB-CE1 4.28Å; N363-Y393 HydrophobicContact CB-CE2 4.33Å; N363-Y393 PolarHBondContact ND2-OH 3.04Å; V364-Y393 HydrophobicContact CG2-CD1 4.03Å; V364-Y393 HydrophobicContact CG2-CE1 4.13Å; I367-Y393 HydrophobicContact CD1-CD1 4.31Å; I367-Y393 HydrophobicContact CD1-CD2 3.92Å; I367-Y393 HydrophobicContact CD1-CG 3.73Å; H383-Y393 WeakPolarHBondContact CA-O 3.34Å; F384-Y393 AromaticContact CD1-CD2 3.94Å; F384-Y393 HydrophobicContact CD1-CD2 3.94Å; F384-Y393 HydrophobicContact CD1-CE2 4.42Å; F384-Y393 PolarHBondContact N-O 2.77Å; F384-Y393 PolarHBondContact O-N 2.93Å; D386-Y393 HydrophobicContact CB-CE2 4.2Å; Y393-V406 WeakPolarHBondContact CA-O 3.28Å; Y393-I407 HydrophobicContact CD1-CG1 3.98Å; Y393-I407 HydrophobicContact CD1-CG2 4.35Å; Y393-I407 HydrophobicContact CE1-CD1 4.45Å; Y393-I407 HydrophobicContact CE1-CG1 4.22Å; Y393-I407 HydrophobicContact CE1-CG2 4.04Å
394	F	98.6	Very high	95.9	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.9	167.6	-65	-96.4	0	0	0	109.5	V381 V382 H383 T392 V405 V406 F408 K412 F419 L423	V381-F394 HydrophobicContact CG1-CB 4.36Å; V381-F394 HydrophobicContact CG1-CD1 4.18Å; V382-F394 CarbonylContact O-C 3.59Å; V382-F394 VanDerWaalsContact O-CA 3.27Å; V382-F394 WeakPolarHBondContact O-CA 3.47Å; H383-F394 HydrophobicContact CB-CD1 4.19Å; H383-F394 HydrophobicContact CB-CE1 4.13Å; H383-F394 AromaticContact CD2-CE1 3.52Å; H383-F394 AromaticContact CD2-CZ 3.49Å; H383-F394 VanDerWaalsContact CD2-CZ 3.49Å; H383-F394 WeakPolarHBondContact CD2-CZ 3.35Å; T392-F394 HydrophobicContact CG2-CD2 4.31Å; T392-F394 HydrophobicContact CG2-CE2 3.79Å; T392-F394 HydrophobicContact CG2-CZ 4.34Å; F394-V405 CarbonylContact O-C 3.47Å; F394-V405 WeakPolarHBondContact O-CA 3.38Å; F394-V406 HydrophobicContact CB-CB 4.34Å; F394-V406 PolarHBondContact N-O 3Å; F394-V406 PolarHBondContact O-N 3.26Å; F394-F408 HydrophobicContact CD2-CD2 4.15Å; F394-F408 AromaticContact CD2-CE2 3.97Å; F394-F408 HydrophobicContact CD2-CE2 3.97Å; F394-F408 HydrophobicContact CE2-CD2 4.11Å; F394-F408 AromaticContact CE2-CE2 3.99Å; F394-F408 HydrophobicContact CE2-CE2 3.99Å; F394-K412 HydrophobicContact CE2-CB 4.02Å; F394-K412 HydrophobicContact CZ-CB 4.32Å; F394-F419 HydrophobicContact CE1-CB 4.33Å; F394-F419 HydrophobicContact CE1-CD2 4.44Å; F394-F419 HydrophobicContact CE2-CB 4.41Å; F394-F419 AromaticContact CE2-CD2 3.67Å; F394-F419 HydrophobicContact CE2-CD2 3.67Å; F394-F419 HydrophobicContact CE2-CE2 4.36Å; F394-F419 HydrophobicContact CE2-CG 4.35Å; F394-F419 HydrophobicContact CZ-CB 4.27Å; F394-F419 AromaticContact CZ-CD2 3.62Å; F394-F419 HydrophobicContact CZ-CD2 3.62Å; F394-F419 HydrophobicContact CZ-CE2 4.48Å; F394-F419 HydrophobicContact CZ-CG 4.39Å; F394-L423 HydrophobicContact CB-CD1 3.52Å
395	L	98.5	Very high	95.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.7	-177.7	-61.4	83.5	0	0	0	111.2	V364 I367 M368 L375 V381 V382 T403 I404 V405	V364-L395 HydrophobicContact CG1-CD2 4.4Å; I367-L395 HydrophobicContact CB-CD1 4.4Å; I367-L395 HydrophobicContact CB-CD2 4.46Å; I367-L395 HydrophobicContact CD1-CD1 4.21Å; I367-L395 HydrophobicContact CG2-CD1 3.73Å; I367-L395 HydrophobicContact CG2-CD2 4.16Å; M368-L395 HydrophobicContact CG-CD2 3.62Å; L375-L395 HydrophobicContact CD2-CB 4.07Å; V381-L395 CarbonylContact C-O 3.55Å; V381-L395 WeakPolarHBondContact CA-O 3.38Å; V382-L395 HydrophobicContact CB-CB 4.4Å; V382-L395 PolarHBondContact N-O 3.25Å; V382-L395 PolarHBondContact O-N 3.36Å; L395-T403 HydrophobicContact CB-CG2 4.36Å; L395-T403 HydrophobicContact CD2-CG2 4.29Å; L395-I404 CarbonylContact C-O 3.58Å; L395-I404 VanDerWaalsContact CA-O 3.24Å; L395-I404 WeakPolarHBondContact CA-O 3.09Å; L395-V405 HydrophobicContact CD1-CG2 4.18Å; L395-V405 HydrophobicContact CD2-CB 4.46Å; L395-V405 HydrophobicContact CD2-CG2 4.38Å; L395-V405 HydrophobicContact CG-CB 4.07Å; L395-V405 HydrophobicContact CG-CG2 3.84Å
396	T	97.8	Very high	95.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	152.7	167.7	-167.3	0	0	0	0	110.5	K380 P398 I404 L423	K380-T396 PolarHBondContact O-OG1 3.46Å; T396-P398 VanDerWaalsContact O-CD 3.29Å; T396-P398 WeakPolarHBondContact O-CD 3.45Å; T396-I404 HydrophobicContact CG2-CB 4.27Å; T396-I404 PolarHBondContact N-O 3.31Å; T396-I404 PolarHBondContact O-N 3Å; T396-L423 HydrophobicContact CG2-CB 4.01Å; T396-L423 HydrophobicContact CG2-CD2 3.98Å; T396-L423 HydrophobicContact CG2-CG 4.43Å
397	R	96.2	Very high	96	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.008	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	95.7	-177.7	-173.8	164.7	-71.6	158.3	1.4	110	L375 N376 L378 E399 F402 T403	L375-R397 HydrophobicContact CB-CB 4.17Å; L375-R397 HydrophobicContact CD2-CB 4.42Å; L375-R397 VanDerWaalsContact O-CB 3.24Å; L375-R397 WeakPolarHBondContact O-CB 3.28Å; N376-R397 PolarHBondContact OD1-NH1 3.32Å; L378-R397 VanDerWaalsContact CA-O 3.31Å; L378-R397 WeakPolarHBondContact CA-O 2.78Å; L378-R397 HydrophobicContact CD2-CB 4.16Å; L378-R397 HydrophobicContact CD2-CG 3.61Å; R397-E399 VanDerWaalsContact C-N 3.31Å; R397-E399 WeakPolarHBondContact CG-O 3.28Å; R397-F402 WeakPolarHBondContact CG-O 3.37Å; R397-T403 PolarHBondContact NE-OG1 3.29Å; R397-T403 VanDerWaalsContact NE-OG1 3.13Å; R397-T403 PolarHBondContact NH2-OG1 3.04Å
398	P	93.6	Very high	96.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	-37.8	174.2	22	-34.4	0	0	0	113.1	T396 F402 I404 S427 L430 K431	T396-P398 VanDerWaalsContact O-CD 3.29Å; T396-P398 WeakPolarHBondContact O-CD 3.45Å; P398-F402 WeakPolarHBondContact CD-O 3.17Å; P398-F402 HydrophobicContact CG-CB 4.32Å; P398-I404 HydrophobicContact CG-CD1 3.91Å; P398-I404 HydrophobicContact CG-CG1 4.2Å; P398-S427 WeakPolarHBondContact CA-OG 3.49Å; P398-L430 HydrophobicContact CB-CB 3.98Å; P398-L430 HydrophobicContact CB-CD1 4.12Å; P398-L430 HydrophobicContact CG-CD1 4.06Å; P398-K431 WeakPolarHBondContact O-CE 3.45Å; P398-K431 WeakPolarHBondContact O-CG 3.35Å
399	E	91.9	Very high	96.4	Very high	11 Å²	11	20.6 Å²	20.6	5%	0.051	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	158.6	-174.4	-62.6	-168.4	116.5	0	0	110.5	K268 Y272 R397 H401 F402	K268-E399 WeakPolarHBondContact CE-OE2 3.22Å; K268-E399 IonicContact NZ-OE1 3.04Å; K268-E399 PolarHBondContact NZ-OE1 3.03Å; K268-E399 IonicContact NZ-OE2 3.02Å; K268-E399 PolarHBondContact NZ-OE2 3.42Å; Y272-E399 WeakPolarHBondContact CE2-OE2 3.48Å; Y272-E399 PolarHBondContact OH-OE2 2.91Å; R397-E399 VanDerWaalsContact C-N 3.31Å; R397-E399 WeakPolarHBondContact CG-O 3.28Å; E399-H401 PolarHBondContact O-N 2.91Å; E399-F402 HydrophobicContact CB-CB 4.36Å; E399-F402 HydrophobicContact CB-CD2 4.28Å; E399-F402 PolarHBondContact O-N 3.39Å; E399-F402 VanDerWaalsContact O-O 3.07Å
400	P	90	Very high	96.5	Very high	45 Å²	45	19.2 Å²	19.2	29%	0.292	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-41.5	-175.4	-30.5	36.6	0	0	0	114.3	F154	F154-P400 HydrophobicContact CD1-CG 4.49Å; F154-P400 VanDerWaalsContact CD2-CD 3.5Å; F154-P400 HydrophobicContact CD2-CG 3.91Å; F154-P400 HydrophobicContact CE1-CG 4.45Å; F154-P400 HydrophobicContact CE2-CG 3.87Å; F154-P400 HydrophobicContact CG-CG 4.23Å; F154-P400 HydrophobicContact CZ-CG 4.14Å
401	H	91	Very high	96.5	Very high	60 Å²	60	21.6 Å²	21.6	28%	0.278	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	0.6	-177.3	-59.1	-63.4	0	0	0	114.8	E206 F317 D318 E399	E206-H401 IonicContact OE1-CD2 3.32Å; E206-H401 PolarHBondContact OE1-CD2 3.22Å; E206-H401 IonicContact OE1-NE2 3.54Å; F317-H401 CarbonylContact C-O 3.57Å; F317-H401 WeakPolarHBondContact CA-O 3.22Å; F317-H401 HydrophobicContact CD2-CB 4Å; F317-H401 WeakPolarHBondContact CD2-O 3.15Å; F317-H401 HydrophobicContact CE2-CB 3.62Å; D318-H401 PolarHBondContact N-O 3.38Å; E399-H401 PolarHBondContact O-N 2.91Å
402	F	94.3	Very high	96.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125	-173.8	-71.1	-80.4	0	0	0	112.5	S205 W207 Y272 L315 I316 F317 V349 R397 P398 E399	S205-F402 VanDerWaalsContact O-CE2 3.28Å; S205-F402 WeakPolarHBondContact O-CE2 3.08Å; W207-F402 HydrophobicContact CB-CZ 3.94Å; W207-F402 AromaticContact CD1-CZ 3.96Å; W207-F402 HydrophobicContact CG-CZ 4.22Å; Y272-F402 HydrophobicContact CD2-CD1 4.33Å; Y272-F402 HydrophobicContact CD2-CD2 4.29Å; Y272-F402 AromaticContact CD2-CE1 3.79Å; Y272-F402 HydrophobicContact CD2-CE1 3.79Å; Y272-F402 AromaticContact CD2-CE2 3.75Å; Y272-F402 HydrophobicContact CD2-CE2 3.75Å; Y272-F402 AromaticContact CD2-CZ 3.47Å; Y272-F402 HydrophobicContact CD2-CZ 3.47Å; Y272-F402 VanDerWaalsContact CD2-CZ 3.47Å; Y272-F402 HydrophobicContact CE2-CD1 4.05Å; Y272-F402 AromaticContact CE2-CD2 3.57Å; Y272-F402 HydrophobicContact CE2-CD2 3.57Å; Y272-F402 AromaticContact CE2-CE1 3.94Å; Y272-F402 HydrophobicContact CE2-CE1 3.94Å; Y272-F402 AromaticContact CE2-CE2 3.44Å; Y272-F402 HydrophobicContact CE2-CE2 3.44Å; Y272-F402 VanDerWaalsContact CE2-CE2 3.44Å; Y272-F402 AromaticContact CE2-CG 3.86Å; Y272-F402 HydrophobicContact CE2-CG 3.86Å; Y272-F402 AromaticContact CE2-CZ 3.63Å; Y272-F402 HydrophobicContact CE2-CZ 3.63Å; Y272-F402 HydrophobicContact CG-CE1 4.45Å; Y272-F402 HydrophobicContact CG-CZ 4.46Å; L315-F402 HydrophobicContact CD1-CB 4.08Å; L315-F402 HydrophobicContact CD1-CD1 4.13Å; L315-F402 HydrophobicContact CD2-CD1 4.04Å; L315-F402 HydrophobicContact CD2-CE1 4.4Å; L315-F402 HydrophobicContact CG-CD1 3.98Å; I316-F402 CarbonylContact O-C 3.54Å; I316-F402 VanDerWaalsContact O-CA 3.3Å; I316-F402 WeakPolarHBondContact O-CA 3.11Å; F317-F402 HydrophobicContact CB-CD1 4.35Å; F317-F402 HydrophobicContact CB-CE1 4.04Å; F317-F402 HydrophobicContact CD2-CD1 4.14Å; F317-F402 AromaticContact CD2-CE1 3.61Å; F317-F402 HydrophobicContact CD2-CE1 3.61Å; F317-F402 HydrophobicContact CD2-CE2 4.04Å; F317-F402 AromaticContact CD2-CZ 3.56Å; F317-F402 HydrophobicContact CD2-CZ 3.56Å; F317-F402 HydrophobicContact CE2-CE2 4.3Å; F317-F402 HydrophobicContact CE2-CZ 4.07Å; F317-F402 HydrophobicContact CG-CE1 4.25Å; V349-F402 HydrophobicContact CG2-CD1 4.44Å; V349-F402 HydrophobicContact CG2-CE1 4.09Å; R397-F402 WeakPolarHBondContact CG-O 3.37Å; P398-F402 WeakPolarHBondContact CD-O 3.17Å; P398-F402 HydrophobicContact CG-CB 4.32Å; E399-F402 HydrophobicContact CB-CB 4.36Å; E399-F402 HydrophobicContact CB-CD2 4.28Å; E399-F402 PolarHBondContact O-N 3.39Å; E399-F402 VanDerWaalsContact O-O 3.07Å
403	T	97.1	Very high	96.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.1	176.1	-53.6	0	0	0	0	109.8	I316 M368 L395 R397	I316-T403 WeakPolarHBondContact CB-O 3.44Å; I316-T403 PolarHBondContact N-O 2.77Å; I316-T403 PolarHBondContact O-N 2.78Å; M368-T403 HydrophobicContact CE-CG2 4.37Å; M368-T403 HydrophobicContact CG-CG2 4.29Å; M368-T403 HydrophobicContact SD-CG2 4.21Å; L395-T403 HydrophobicContact CB-CG2 4.36Å; L395-T403 HydrophobicContact CD2-CG2 4.29Å; R397-T403 PolarHBondContact NE-OG1 3.29Å; R397-T403 VanDerWaalsContact NE-OG1 3.13Å; R397-T403 PolarHBondContact NH2-OG1 3.04Å
404	I	97.9	Very high	96	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	136.5	171.7	-63.7	162	0	0	0	108	V313 S314 L315 L395 T396 P398 L423 L426 L430	V313-I404 HydrophobicContact CG1-CG2 4.3Å; S314-I404 WeakPolarHBondContact O-CA 3.34Å; L315-I404 HydrophobicContact CD1-CG1 3.65Å; L395-I404 CarbonylContact C-O 3.58Å; L395-I404 VanDerWaalsContact CA-O 3.24Å; L395-I404 WeakPolarHBondContact CA-O 3.09Å; T396-I404 HydrophobicContact CG2-CB 4.27Å; T396-I404 PolarHBondContact N-O 3.31Å; T396-I404 PolarHBondContact O-N 3Å; P398-I404 HydrophobicContact CG-CD1 3.91Å; P398-I404 HydrophobicContact CG-CG1 4.2Å; I404-L423 HydrophobicContact CB-CD2 4.37Å; I404-L423 HydrophobicContact CG2-CD2 3.64Å; I404-L426 HydrophobicContact CD1-CD2 3.77Å; I404-L426 HydrophobicContact CD1-CG 3.8Å; I404-L426 HydrophobicContact CG2-CD2 4.35Å; I404-L430 HydrophobicContact CD1-CD1 3.74Å
405	V	98.3	Very high	95.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	138.6	171.4	62.4	0	0	0	0	110.9	V313 S314 I316 V364 F394 L395 I407	V313-V405 CarbonylContact C-O 3.59Å; V313-V405 VanDerWaalsContact CA-O 3.28Å; V313-V405 WeakPolarHBondContact CA-O 3.42Å; S314-V405 PolarHBondContact N-O 3.36Å; S314-V405 PolarHBondContact O-N 3.08Å; I316-V405 HydrophobicContact CD1-CB 4.38Å; I316-V405 HydrophobicContact CD1-CG1 3.78Å; I316-V405 HydrophobicContact CG1-CG1 4.33Å; V364-V405 HydrophobicContact CG1-CG1 4.39Å; V364-V405 HydrophobicContact CG1-CG2 4.49Å; V364-V405 HydrophobicContact CG2-CG2 4.12Å; F394-V405 CarbonylContact O-C 3.47Å; F394-V405 WeakPolarHBondContact O-CA 3.38Å; L395-V405 HydrophobicContact CD1-CG2 4.18Å; L395-V405 HydrophobicContact CD2-CB 4.46Å; L395-V405 HydrophobicContact CD2-CG2 4.38Å; L395-V405 HydrophobicContact CG-CB 4.07Å; L395-V405 HydrophobicContact CG-CG2 3.84Å; V405-I407 HydrophobicContact CG2-CG1 3.93Å
406	V	98.4	Very high	95.4	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.9	167.5	-178.7	0	0	0	0	107.8	F304 A310 V313 Y393 F394 F408 F422 L423	F304-V406 HydrophobicContact CE1-CG1 3.72Å; F304-V406 HydrophobicContact CE1-CG2 4.42Å; F304-V406 HydrophobicContact CZ-CG1 4.25Å; A310-V406 HydrophobicContact CB-CG1 4.12Å; V313-V406 HydrophobicContact CG1-CG2 4.3Å; V313-V406 HydrophobicContact CG2-CB 4.43Å; V313-V406 HydrophobicContact CG2-CG1 4.18Å; V313-V406 HydrophobicContact CG2-CG2 4.04Å; Y393-V406 WeakPolarHBondContact CA-O 3.28Å; F394-V406 HydrophobicContact CB-CB 4.34Å; F394-V406 PolarHBondContact N-O 3Å; F394-V406 PolarHBondContact O-N 3.26Å; V406-F408 HydrophobicContact CG1-CD2 4.11Å; V406-F408 HydrophobicContact CG1-CE2 3.48Å; V406-F408 VanDerWaalsContact CG1-CE2 3.48Å; V406-F408 HydrophobicContact CG1-CZ 3.88Å; V406-F422 HydrophobicContact CG2-CE1 4.37Å; V406-L423 HydrophobicContact CG2-CD1 4.27Å; V406-L423 HydrophobicContact CG2-CD2 3.81Å; V406-L423 HydrophobicContact CG2-CG 4.21Å
407	I	98.5	Very high	95.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.5	-177.3	-54.7	174.2	0	0	0	108.8	A311 N312 P357 H360 V364 Y393 V405	A311-I407 HydrophobicContact CB-CG2 4.48Å; A311-I407 PolarHBondContact N-O 3.14Å; N312-I407 HydrophobicContact CB-CB 4.45Å; N312-I407 HydrophobicContact CB-CD1 4.37Å; N312-I407 PolarHBondContact N-O 3.17Å; N312-I407 PolarHBondContact O-N 3.29Å; P357-I407 HydrophobicContact CG-CD1 3.68Å; H360-I407 HydrophobicContact CB-CD1 3.87Å; V364-I407 HydrophobicContact CG2-CD1 4.28Å; Y393-I407 HydrophobicContact CD1-CG1 3.98Å; Y393-I407 HydrophobicContact CD1-CG2 4.35Å; Y393-I407 HydrophobicContact CE1-CD1 4.45Å; Y393-I407 HydrophobicContact CE1-CG1 4.22Å; Y393-I407 HydrophobicContact CE1-CG2 4.04Å; V405-I407 HydrophobicContact CG2-CG1 3.93Å
408	F	98.3	Very high	95.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	130.6	170	-66.1	-84	0	0	0	109.3	F304 Y308 A310 S391 T392 F394 V406 S410 K412 F419	F304-F408 HydrophobicContact CE1-CZ 4.17Å; F304-F408 HydrophobicContact CZ-CZ 4.15Å; Y308-F408 WeakPolarHBondContact O-CE1 3.33Å; A310-F408 HydrophobicContact CB-CD1 4.06Å; A310-F408 HydrophobicContact CB-CE1 3.61Å; A310-F408 HydrophobicContact CB-CZ 3.98Å; S391-F408 CarbonylContact C-O 3.51Å; S391-F408 WeakPolarHBondContact CA-O 3.42Å; S391-F408 WeakPolarHBondContact CB-O 3.2Å; T392-F408 PolarHBondContact N-O 3.34Å; T392-F408 PolarHBondContact O-N 3.08Å; F394-F408 HydrophobicContact CD2-CD2 4.15Å; F394-F408 AromaticContact CD2-CE2 3.97Å; F394-F408 HydrophobicContact CD2-CE2 3.97Å; F394-F408 HydrophobicContact CE2-CD2 4.11Å; F394-F408 AromaticContact CE2-CE2 3.99Å; F394-F408 HydrophobicContact CE2-CE2 3.99Å; V406-F408 HydrophobicContact CG1-CD2 4.11Å; V406-F408 HydrophobicContact CG1-CE2 3.48Å; V406-F408 VanDerWaalsContact CG1-CE2 3.48Å; V406-F408 HydrophobicContact CG1-CZ 3.88Å; F408-S410 PolarHBondContact O-N 2.82Å; F408-K412 HydrophobicContact CB-CG 3.83Å; F408-K412 HydrophobicContact CD1-CD 4.44Å; F408-K412 VanDerWaalsContact CD1-CE 3.44Å; F408-K412 HydrophobicContact CD1-CG 4.16Å; F408-K412 HydrophobicContact CD2-CG 3.76Å; F408-K412 HydrophobicContact CE2-CG 4.32Å; F408-K412 HydrophobicContact CG-CD 4.4Å; F408-K412 HydrophobicContact CG-CG 3.65Å; F408-F419 HydrophobicContact CE1-CE1 4.23Å; F408-F419 HydrophobicContact CE1-CZ 4.1Å; F408-F419 HydrophobicContact CE2-CD1 4.37Å; F408-F419 HydrophobicContact CE2-CD2 4.19Å; F408-F419 HydrophobicContact CE2-CE1 4.26Å; F408-F419 HydrophobicContact CE2-CE2 4.11Å; F408-F419 HydrophobicContact CE2-CG 4.34Å; F408-F419 HydrophobicContact CE2-CZ 4.14Å; F408-F419 AromaticContact CZ-CD1 3.94Å; F408-F419 HydrophobicContact CZ-CD1 3.94Å; F408-F419 HydrophobicContact CZ-CD2 4.39Å; F408-F419 AromaticContact CZ-CE1 3.53Å; F408-F419 HydrophobicContact CZ-CE1 3.53Å; F408-F419 HydrophobicContact CZ-CE2 4.05Å; F408-F419 HydrophobicContact CZ-CG 4.35Å; F408-F419 AromaticContact CZ-CZ 3.6Å; F408-F419 HydrophobicContact CZ-CZ 3.6Å
409	E	97	Very high	95.3	Very high	137 Å²	137	51.9 Å²	51.9	64%	0.64	26%	0.256	S	S	*	.	S	Bend	trans	-82.2	43.7	170.2	-68.3	176.7	166.5	0	0	110.9	A311 H360 Q390	A311-E409 HydrophobicContact CB-CG 3.78Å; H360-E409 IonicContact NE2-OE1 2.94Å; Q390-E409 CarbonylContact O-C 3.54Å
410	S	96.6	Very high	95.5	Very high	45 Å²	45	54 Å²	54	32%	0.315	27%	0.267	S	S	.	.	S	Bend	trans	-159.9	161.3	175.9	52.9	0	0	0	0	109.7	Q390 T392 F408 K412	Q390-S410 CarbonylContact O-C 3.48Å; Q390-S410 WeakPolarHBondContact O-CA 3.31Å; Q390-S410 PolarHBondContact O-N 3.13Å; T392-S410 WeakPolarHBondContact CB-O 3.27Å; T392-S410 PolarHBondContact N-O 3.31Å; T392-S410 PolarHBondContact OG1-O 3.23Å; F408-S410 PolarHBondContact O-N 2.82Å; S410-K412 PolarHBondContact O-N 3.04Å; S410-K412 WeakPolarHBondContact OG-CE 3.38Å
411	K	96.9	Very high	95.8	Very high	147 Å²	147	54.4 Å²	54.4	64%	0.639	27%	0.271	S	S	*	.			trans	-68.6	119.7	172.3	-169.2	170.7	-172.1	167.4	0	110.5	Y385 T392	Y385-K411 HydrophobicContact CD1-CG 4.44Å; Y385-K411 HydrophobicContact CD2-CB 4.17Å; Y385-K411 HydrophobicContact CD2-CG 3.99Å; Y385-K411 HydrophobicContact CE1-CD 3.96Å; Y385-K411 HydrophobicContact CE1-CG 4.17Å; Y385-K411 HydrophobicContact CE2-CB 3.55Å; Y385-K411 HydrophobicContact CE2-CD 4.27Å; Y385-K411 HydrophobicContact CE2-CG 3.7Å; Y385-K411 HydrophobicContact CG-CG 4.33Å; T392-K411 WeakPolarHBondContact OG1-CA 3.39Å
412	K	97.4	Very high	96.1	Very high	57 Å²	57	52.7 Å²	52.7	25%	0.248	26%	0.263	C	S	.	.			trans	-119.4	147.4	172	-57.6	-59.9	-171.5	-172.1	0	110.1	H383 T392 F394 F408 S410 F419	H383-K412 PolarHBondContact NE2-O 3.06Å; T392-K412 HydrophobicContact CG2-CB 3.9Å; T392-K412 PolarHBondContact OG1-N 2.78Å; F394-K412 HydrophobicContact CE2-CB 4.02Å; F394-K412 HydrophobicContact CZ-CB 4.32Å; F408-K412 HydrophobicContact CB-CG 3.83Å; F408-K412 HydrophobicContact CD1-CD 4.44Å; F408-K412 VanDerWaalsContact CD1-CE 3.44Å; F408-K412 HydrophobicContact CD1-CG 4.16Å; F408-K412 HydrophobicContact CD2-CG 3.76Å; F408-K412 HydrophobicContact CE2-CG 4.32Å; F408-K412 HydrophobicContact CG-CD 4.4Å; F408-K412 HydrophobicContact CG-CG 3.65Å; S410-K412 PolarHBondContact O-N 3.04Å; S410-K412 WeakPolarHBondContact OG-CE 3.38Å; K412-F419 HydrophobicContact CB-CE2 4.01Å; K412-F419 HydrophobicContact CD-CE2 4.05Å; K412-F419 HydrophobicContact CD-CZ 4.29Å; K412-F419 HydrophobicContact CG-CE2 4.02Å
413	S	95	Very high	96.3	Very high	55 Å²	55	52.8 Å²	52.8	39%	0.385	26%	0.263	S	S	.	.			trans	-83.4	141.6	-176.6	-175.5	0	0	0	0	110.5	R415 D416	S413-R415 PolarHBondContact O-N 2.82Å; S413-R415 VanDerWaalsContact O-N 3.14Å; S413-R415 PolarHBondContact OG-N 3.45Å; S413-D416 WeakPolarHBondContact CB-OD2 3.44Å; S413-D416 PolarHBondContact N-OD2 3.04Å; S413-D416 WeakPolarHBondContact O-CB 3.37Å; S413-D416 PolarHBondContact O-N 3.45Å; S413-D416 VanDerWaalsContact O-N 3.13Å
414	E	92.7	Very high	96.2	Very high	115 Å²	115	55.9 Å²	55.9	54%	0.537	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.6	167.7	65.1	175.5	-178	0	0	112.3	H383 D416 I420	H383-E414 HydrophobicContact CB-CB 4.03Å; E414-D416 VanDerWaalsContact C-N 3.26Å; E414-D416 PolarHBondContact O-N 2.69Å; E414-I420 VanDerWaalsContact O-CD1 3.27Å; E414-I420 WeakPolarHBondContact O-CD1 3.34Å
415	R	92.3	Very high	96	Very high	210 Å²	210	61.4 Å²	61.4	79%	0.792	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-2.3	179.7	-57.4	-174.9	-178.6	-178.8	-0.3	113.3	S413 S417	S413-R415 PolarHBondContact O-N 2.82Å; S413-R415 VanDerWaalsContact O-N 3.14Å; S413-R415 PolarHBondContact OG-N 3.45Å; R415-S417 VanDerWaalsContact C-N 3.26Å; R415-S417 PolarHBondContact O-N 3.42Å
416	D	92.8	Very high	95.8	Very high	46 Å²	46	61.7 Å²	61.7	25%	0.246	31%	0.307	C	S	.	.			trans	-70.4	82.8	177.3	-72.7	-40.7	0	0	0	110.6	S413 E414 H418 F419	S413-D416 WeakPolarHBondContact CB-OD2 3.44Å; S413-D416 PolarHBondContact N-OD2 3.04Å; S413-D416 WeakPolarHBondContact O-CB 3.37Å; S413-D416 PolarHBondContact O-N 3.45Å; S413-D416 VanDerWaalsContact O-N 3.13Å; E414-D416 VanDerWaalsContact C-N 3.26Å; E414-D416 PolarHBondContact O-N 2.69Å; D416-H418 PolarHBondContact O-N 2.84Å; D416-H418 IonicContact OD1-CE1 3.69Å; D416-F419 HydrophobicContact CB-CD2 3.37Å; D416-F419 HydrophobicContact CB-CE2 3.6Å; D416-F419 HydrophobicContact CB-CG 4.2Å; D416-F419 PolarHBondContact O-N 2.79Å
417	S	93.4	Very high	95.6	Very high	87 Å²	87	61.8 Å²	61.8	61%	0.608	31%	0.308	S	S	*	.	H	α-helix	trans	-58	-26.2	-172.1	61.9	0	0	0	0	114	R415 I420 S421	R415-S417 VanDerWaalsContact C-N 3.26Å; R415-S417 PolarHBondContact O-N 3.42Å; S417-I420 PolarHBondContact O-N 3.1Å; S417-S421 VanDerWaalsContact O-CB 3.31Å; S417-S421 WeakPolarHBondContact O-CB 3.46Å; S417-S421 PolarHBondContact O-N 3.1Å
418	H	95	Very high	95.3	Very high	65 Å²	65	65.1 Å²	65.1	30%	0.301	33%	0.326	S	S	.	.	H	α-helix	trans	-70.4	-31.9	178.6	55.8	-82.1	0	0	0	112.8	Y308 D416 F422	Y308-H418 AromaticContact CD1-CD2 3.84Å; Y308-H418 AromaticContact CD1-NE2 3.96Å; Y308-H418 AromaticContact CE1-CD2 3.34Å; Y308-H418 WeakPolarHBondContact CE1-CD2 3.28Å; Y308-H418 AromaticContact CE1-NE2 3.78Å; Y308-H418 AromaticContact CZ-CD2 3.56Å; D416-H418 PolarHBondContact O-N 2.84Å; D416-H418 IonicContact OD1-CE1 3.69Å; H418-F422 WeakPolarHBondContact O-CB 3.49Å; H418-F422 PolarHBondContact O-N 3.47Å; H418-F422 VanDerWaalsContact O-N 3.1Å
419	F	96.6	Very high	94.9	Very high	6 Å²	6	66.3 Å²	66.3	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-71.1	-43.3	173	-57.9	-31.7	0	0	0	111.1	F304 Y308 F394 F408 K412 D416 F422 L423	F304-F419 AromaticContact CE2-CD1 3.81Å; F304-F419 HydrophobicContact CE2-CD1 3.81Å; F304-F419 HydrophobicContact CE2-CE1 4.44Å; F304-F419 AromaticContact CZ-CD1 3.54Å; F304-F419 HydrophobicContact CZ-CD1 3.54Å; F304-F419 HydrophobicContact CZ-CE1 4.09Å; F304-F419 HydrophobicContact CZ-CG 4.43Å; Y308-F419 AromaticContact CD1-CE1 3.86Å; Y308-F419 HydrophobicContact CD1-CE1 3.86Å; Y308-F419 HydrophobicContact CD2-CE1 4.16Å; Y308-F419 HydrophobicContact CE1-CE1 4.47Å; Y308-F419 AromaticContact CG-CE1 3.69Å; Y308-F419 HydrophobicContact CG-CE1 3.69Å; F394-F419 HydrophobicContact CE1-CB 4.33Å; F394-F419 HydrophobicContact CE1-CD2 4.44Å; F394-F419 HydrophobicContact CE2-CB 4.41Å; F394-F419 AromaticContact CE2-CD2 3.67Å; F394-F419 HydrophobicContact CE2-CD2 3.67Å; F394-F419 HydrophobicContact CE2-CE2 4.36Å; F394-F419 HydrophobicContact CE2-CG 4.35Å; F394-F419 HydrophobicContact CZ-CB 4.27Å; F394-F419 AromaticContact CZ-CD2 3.62Å; F394-F419 HydrophobicContact CZ-CD2 3.62Å; F394-F419 HydrophobicContact CZ-CE2 4.48Å; F394-F419 HydrophobicContact CZ-CG 4.39Å; F408-F419 HydrophobicContact CE1-CE1 4.23Å; F408-F419 HydrophobicContact CE1-CZ 4.1Å; F408-F419 HydrophobicContact CE2-CD1 4.37Å; F408-F419 HydrophobicContact CE2-CD2 4.19Å; F408-F419 HydrophobicContact CE2-CE1 4.26Å; F408-F419 HydrophobicContact CE2-CE2 4.11Å; F408-F419 HydrophobicContact CE2-CG 4.34Å; F408-F419 HydrophobicContact CE2-CZ 4.14Å; F408-F419 AromaticContact CZ-CD1 3.94Å; F408-F419 HydrophobicContact CZ-CD1 3.94Å; F408-F419 HydrophobicContact CZ-CD2 4.39Å; F408-F419 AromaticContact CZ-CE1 3.53Å; F408-F419 HydrophobicContact CZ-CE1 3.53Å; F408-F419 HydrophobicContact CZ-CE2 4.05Å; F408-F419 HydrophobicContact CZ-CG 4.35Å; F408-F419 AromaticContact CZ-CZ 3.6Å; F408-F419 HydrophobicContact CZ-CZ 3.6Å; K412-F419 HydrophobicContact CB-CE2 4.01Å; K412-F419 HydrophobicContact CD-CE2 4.05Å; K412-F419 HydrophobicContact CD-CZ 4.29Å; K412-F419 HydrophobicContact CG-CE2 4.02Å; D416-F419 HydrophobicContact CB-CD2 3.37Å; D416-F419 HydrophobicContact CB-CE2 3.6Å; D416-F419 HydrophobicContact CB-CG 4.2Å; D416-F419 PolarHBondContact O-N 2.79Å; F419-F422 PolarHBondContact O-N 2.91Å; F419-L423 PolarHBondContact O-N 3.09Å
420	I	96.2	Very high	94.7	Very high	55 Å²	55	59.8 Å²	59.8	28%	0.282	31%	0.305	S	S	.	.	H	α-helix	trans	-63.7	-46.3	176.8	-63.8	176.7	0	0	0	110.7	V381 E414 S417 F422 L423 N424	V381-I420 HydrophobicContact CB-CG2 4.4Å; V381-I420 HydrophobicContact CG1-CG1 4.35Å; V381-I420 HydrophobicContact CG2-CG2 4.13Å; E414-I420 VanDerWaalsContact O-CD1 3.27Å; E414-I420 WeakPolarHBondContact O-CD1 3.34Å; S417-I420 PolarHBondContact O-N 3.1Å; I420-F422 PolarHBondContact O-N 2.85Å; I420-L423 PolarHBondContact O-N 2.88Å; I420-N424 WeakPolarHBondContact CG2-ND2 3.29Å; I420-N424 WeakPolarHBondContact O-CB 3.35Å; I420-N424 PolarHBondContact O-N 3.08Å; I420-N424 PolarHBondContact O-ND2 2.81Å
421	S	96.6	Very high	94.3	Very high	54 Å²	54	59.1 Å²	59.1	38%	0.378	30%	0.296	S	S	.	.	H	α-helix	trans	-60.1	-45.2	177.7	-166.4	0	0	0	0	111.5	S417 L423 N424 E425	S417-S421 VanDerWaalsContact O-CB 3.31Å; S417-S421 WeakPolarHBondContact O-CB 3.46Å; S417-S421 PolarHBondContact O-N 3.1Å; S421-L423 PolarHBondContact O-N 3.47Å; S421-N424 PolarHBondContact O-N 2.87Å; S421-E425 WeakPolarHBondContact O-CB 3.47Å; S421-E425 VanDerWaalsContact O-CG 3.3Å; S421-E425 WeakPolarHBondContact O-CG 3.4Å; S421-E425 PolarHBondContact O-N 3.34Å; S421-E425 PolarHBondContact OG-OE1 2.82Å; S421-E425 VanDerWaalsContact OG-OE1 3.1Å
422	F	97.5	Very high	93.6	Very high	25 Å²	25	52.5 Å²	52.5	11%	0.11	27%	0.268	C	S	.	.	H	α-helix	trans	-58	-49	177.1	167.8	-104.9	0	0	0	112.1	I301 F304 V406 H418 F419 I420 E425 L426	I301-F422 HydrophobicContact CG1-CZ 4.02Å; F304-F422 HydrophobicContact CB-CD2 4.14Å; F304-F422 HydrophobicContact CB-CE1 4.24Å; F304-F422 HydrophobicContact CB-CE2 3.67Å; F304-F422 HydrophobicContact CB-CZ 3.72Å; F304-F422 HydrophobicContact CD1-CD1 4.18Å; F304-F422 AromaticContact CD1-CE1 3.84Å; F304-F422 HydrophobicContact CD1-CE1 3.84Å; F304-F422 HydrophobicContact CD1-CZ 4.14Å; F304-F422 HydrophobicContact CD2-CB 3.84Å; F304-F422 AromaticContact CD2-CD1 3.45Å; F304-F422 HydrophobicContact CD2-CD1 3.45Å; F304-F422 VanDerWaalsContact CD2-CD1 3.45Å; F304-F422 AromaticContact CD2-CD2 3.56Å; F304-F422 HydrophobicContact CD2-CD2 3.56Å; F304-F422 AromaticContact CD2-CE1 3.82Å; F304-F422 HydrophobicContact CD2-CE1 3.82Å; F304-F422 AromaticContact CD2-CE2 3.91Å; F304-F422 HydrophobicContact CD2-CE2 3.91Å; F304-F422 AromaticContact CD2-CG 3.3Å; F304-F422 HydrophobicContact CD2-CG 3.3Å; F304-F422 HydrophobicContact CD2-CZ 4.03Å; F304-F422 HydrophobicContact CE1-CD1 4.17Å; F304-F422 HydrophobicContact CE1-CE1 4.13Å; F304-F422 HydrophobicContact CE2-CB 3.69Å; F304-F422 AromaticContact CE2-CD1 3.42Å; F304-F422 HydrophobicContact CE2-CD1 3.42Å; F304-F422 VanDerWaalsContact CE2-CD1 3.42Å; F304-F422 HydrophobicContact CE2-CD2 4.25Å; F304-F422 HydrophobicContact CE2-CE1 4.09Å; F304-F422 AromaticContact CE2-CG 3.51Å; F304-F422 HydrophobicContact CE2-CG 3.51Å; F304-F422 AromaticContact CG-CD1 3.84Å; F304-F422 HydrophobicContact CG-CD1 3.84Å; F304-F422 HydrophobicContact CG-CD2 4.03Å; F304-F422 AromaticContact CG-CE1 3.68Å; F304-F422 HydrophobicContact CG-CE1 3.68Å; F304-F422 AromaticContact CG-CE2 3.87Å; F304-F422 HydrophobicContact CG-CE2 3.87Å; F304-F422 HydrophobicContact CG-CG 4Å; F304-F422 AromaticContact CG-CZ 3.69Å; F304-F422 HydrophobicContact CG-CZ 3.69Å; F304-F422 AromaticContact CZ-CD1 3.8Å; F304-F422 HydrophobicContact CZ-CD1 3.8Å; F304-F422 HydrophobicContact CZ-CE1 4.23Å; F304-F422 HydrophobicContact CZ-CG 4.35Å; V406-F422 HydrophobicContact CG2-CE1 4.37Å; H418-F422 WeakPolarHBondContact O-CB 3.49Å; H418-F422 PolarHBondContact O-N 3.47Å; H418-F422 VanDerWaalsContact O-N 3.1Å; F419-F422 PolarHBondContact O-N 2.91Å; I420-F422 PolarHBondContact O-N 2.85Å; F422-E425 PolarHBondContact O-N 2.87Å; F422-L426 HydrophobicContact CE1-CD2 4.42Å; F422-L426 HydrophobicContact CZ-CD2 4.13Å; F422-L426 WeakPolarHBondContact O-CB 3.48Å; F422-L426 PolarHBondContact O-N 3.44Å
423	L	97.2	Very high	93	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-64.4	-40.2	178.7	-80.2	179	0	0	0	112.3	V381 F394 T396 I404 V406 F419 I420 S421 L426 S427	V381-L423 HydrophobicContact CG1-CD1 3.63Å; V381-L423 HydrophobicContact CG2-CB 3.99Å; F394-L423 HydrophobicContact CB-CD1 3.52Å; T396-L423 HydrophobicContact CG2-CB 4.01Å; T396-L423 HydrophobicContact CG2-CD2 3.98Å; T396-L423 HydrophobicContact CG2-CG 4.43Å; I404-L423 HydrophobicContact CB-CD2 4.37Å; I404-L423 HydrophobicContact CG2-CD2 3.64Å; V406-L423 HydrophobicContact CG2-CD1 4.27Å; V406-L423 HydrophobicContact CG2-CD2 3.81Å; V406-L423 HydrophobicContact CG2-CG 4.21Å; F419-L423 PolarHBondContact O-N 3.09Å; I420-L423 PolarHBondContact O-N 2.88Å; S421-L423 PolarHBondContact O-N 3.47Å; L423-L426 PolarHBondContact O-N 2.83Å; L423-S427 WeakPolarHBondContact O-CB 3.46Å; L423-S427 PolarHBondContact O-N 2.83Å
424	N	95.1	Very high	92.6	Very high	65 Å²	65	55 Å²	55	35%	0.348	27%	0.274	S	S	.	.	H	α-helix	trans	-65	-42.1	175.7	-77.5	-27.5	0	0	0	112.3	V381 I420 S421 S427 L428	V381-N424 WeakPolarHBondContact CG2-OD1 3.19Å; I420-N424 WeakPolarHBondContact CG2-ND2 3.29Å; I420-N424 WeakPolarHBondContact O-CB 3.35Å; I420-N424 PolarHBondContact O-N 3.08Å; I420-N424 PolarHBondContact O-ND2 2.81Å; S421-N424 PolarHBondContact O-N 2.87Å; N424-S427 PolarHBondContact O-N 2.92Å; N424-L428 WeakPolarHBondContact O-CB 3.23Å; N424-L428 PolarHBondContact O-N 3.35Å
425	E	94.3	Very high	92.6	Very high	117 Å²	117	49.9 Å²	49.9	55%	0.547	25%	0.25	S	S	.	.	H	α-helix	trans	-64.3	-44.4	176.6	-76.8	173.7	-144	0	0	112	S421 F422 A429	S421-E425 WeakPolarHBondContact O-CB 3.47Å; S421-E425 VanDerWaalsContact O-CG 3.3Å; S421-E425 WeakPolarHBondContact O-CG 3.4Å; S421-E425 PolarHBondContact O-N 3.34Å; S421-E425 PolarHBondContact OG-OE1 2.82Å; S421-E425 VanDerWaalsContact OG-OE1 3.1Å; F422-E425 PolarHBondContact O-N 2.87Å; E425-A429 VanDerWaalsContact O-CB 3.25Å; E425-A429 WeakPolarHBondContact O-CB 3.25Å; E425-A429 PolarHBondContact O-N 2.89Å
426	L	94.8	Very high	92.6	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-45.9	177.1	-176.8	57.3	0	0	0	110.8	F297 I301 I404 F422 L423 A429 L430	F297-L426 HydrophobicContact CD1-CD1 3.46Å; F297-L426 VanDerWaalsContact CD1-CD1 3.46Å; F297-L426 HydrophobicContact CE1-CD1 3.99Å; F297-L426 HydrophobicContact CG-CD1 4.46Å; I301-L426 HydrophobicContact CD1-CD2 4.01Å; I301-L426 HydrophobicContact CG1-CD2 3.99Å; I404-L426 HydrophobicContact CD1-CD2 3.77Å; I404-L426 HydrophobicContact CD1-CG 3.8Å; I404-L426 HydrophobicContact CG2-CD2 4.35Å; F422-L426 HydrophobicContact CE1-CD2 4.42Å; F422-L426 HydrophobicContact CZ-CD2 4.13Å; F422-L426 WeakPolarHBondContact O-CB 3.48Å; F422-L426 PolarHBondContact O-N 3.44Å; L423-L426 PolarHBondContact O-N 2.83Å; L426-A429 PolarHBondContact O-N 3.1Å; L426-L430 HydrophobicContact CD1-CD1 4.42Å; L426-L430 HydrophobicContact CG-CD1 4.37Å; L426-L430 WeakPolarHBondContact O-CG 3.42Å; L426-L430 PolarHBondContact O-N 3.37Å; L426-L430 VanDerWaalsContact O-N 3.17Å
427	S	94.1	Very high	92.5	Very high	4 Å²	4	39 Å²	39	3%	0.028	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-48.7	177.6	178.5	0	0	0	0	111.9	P398 L423 N424 A429 L430 K431	P398-S427 WeakPolarHBondContact CA-OG 3.49Å; L423-S427 WeakPolarHBondContact O-CB 3.46Å; L423-S427 PolarHBondContact O-N 2.83Å; N424-S427 PolarHBondContact O-N 2.92Å; S427-A429 VanDerWaalsContact C-N 3.29Å; S427-A429 PolarHBondContact O-N 3.3Å; S427-L430 PolarHBondContact O-N 2.96Å; S427-L430 VanDerWaalsContact O-N 3.12Å; S427-K431 WeakPolarHBondContact O-CG 3.43Å; S427-K431 PolarHBondContact O-N 2.98Å; S427-K431 VanDerWaalsContact O-N 3.16Å
428	L	91.3	Very high	92.5	Very high	70 Å²	70	35.2 Å²	35.2	37%	0.366	19%	0.186	S	C	.	.	H	α-helix	trans	-60.9	-37.5	176.9	-177.2	64.5	0	0	0	112.5	N424 L430 N432 P433	N424-L428 WeakPolarHBondContact O-CB 3.23Å; N424-L428 PolarHBondContact O-N 3.35Å; L428-L430 VanDerWaalsContact C-N 3.29Å; L428-L430 PolarHBondContact O-N 3.46Å; L428-N432 PolarHBondContact O-N 3.47Å; L428-P433 HydrophobicContact CD1-CG 3.53Å; L428-P433 WeakPolarHBondContact O-CD 3.36Å
429	A	90.8	Very high	92.3	Very high	25 Å²	25	32.1 Å²	32.1	21%	0.207	17%	0.171	C	C	.	.	H	α-helix	trans	-70.7	-22	178.4	0	0	0	0	0	113.5	F297 E425 L426 S427 N432	F297-A429 HydrophobicContact CE1-CB 3.69Å; F297-A429 HydrophobicContact CZ-CB 4.23Å; E425-A429 VanDerWaalsContact O-CB 3.25Å; E425-A429 WeakPolarHBondContact O-CB 3.25Å; E425-A429 PolarHBondContact O-N 2.89Å; L426-A429 PolarHBondContact O-N 3.1Å; S427-A429 VanDerWaalsContact C-N 3.29Å; S427-A429 PolarHBondContact O-N 3.3Å; A429-N432 PolarHBondContact O-OD1 3.36Å
430	L	91.6	Very high	92	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-89.9	-27.6	177.8	-70.2	170.5	0	0	0	113.9	K268 F271 Y272 F297 P398 I404 L426 S427 L428 N432	K268-L430 HydrophobicContact CG-CD2 4.17Å; K268-L430 PolarHBondContact NZ-O 3.28Å; F271-L430 HydrophobicContact CD1-CD2 3.89Å; F271-L430 HydrophobicContact CE1-CD1 4.07Å; F271-L430 HydrophobicContact CE1-CD2 4.26Å; Y272-L430 HydrophobicContact CE1-CD1 4.23Å; Y272-L430 HydrophobicContact CE1-CD2 3.61Å; Y272-L430 HydrophobicContact CE1-CG 4.47Å; F297-L430 HydrophobicContact CD1-CD2 4.27Å; F297-L430 HydrophobicContact CD2-CD2 4.39Å; F297-L430 HydrophobicContact CE1-CD2 3.73Å; F297-L430 HydrophobicContact CE1-CG 4Å; F297-L430 HydrophobicContact CE2-CD2 3.88Å; F297-L430 HydrophobicContact CZ-CD2 3.51Å; F297-L430 HydrophobicContact CZ-CG 4.16Å; P398-L430 HydrophobicContact CB-CB 3.98Å; P398-L430 HydrophobicContact CB-CD1 4.12Å; P398-L430 HydrophobicContact CG-CD1 4.06Å; I404-L430 HydrophobicContact CD1-CD1 3.74Å; L426-L430 HydrophobicContact CD1-CD1 4.42Å; L426-L430 HydrophobicContact CG-CD1 4.37Å; L426-L430 WeakPolarHBondContact O-CG 3.42Å; L426-L430 PolarHBondContact O-N 3.37Å; L426-L430 VanDerWaalsContact O-N 3.17Å; S427-L430 PolarHBondContact O-N 2.96Å; S427-L430 VanDerWaalsContact O-N 3.12Å; L428-L430 VanDerWaalsContact C-N 3.29Å; L428-L430 PolarHBondContact O-N 3.46Å; L430-N432 VanDerWaalsContact C-N 3.28Å; L430-N432 PolarHBondContact O-ND2 3.04Å; L430-N432 PolarHBondContact O-OD1 3Å
431	K	88.5	Confident	91.4	Very high	31 Å²	31	34 Å²	34	14%	0.135	18%	0.182	C	C	.	.	H	α-helix	trans	-71.2	-23.7	173	-70.6	177.6	178.3	-163.1	0	113.4	L378 P398 S427 P433	L378-K431 VanDerWaalsContact O-CE 3.29Å; L378-K431 WeakPolarHBondContact O-CE 3.28Å; L378-K431 PolarHBondContact O-NZ 2.86Å; P398-K431 WeakPolarHBondContact O-CE 3.45Å; P398-K431 WeakPolarHBondContact O-CG 3.35Å; S427-K431 WeakPolarHBondContact O-CG 3.43Å; S427-K431 PolarHBondContact O-N 2.98Å; S427-K431 VanDerWaalsContact O-N 3.16Å; K431-P433 HydrophobicContact CB-CG 4.47Å; K431-P433 WeakPolarHBondContact O-CD 3.34Å
432	N	83.2	Confident	90.1	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.037	21%	0.205	C	C	.	.			trans	59.9	25.1	177.7	-43.3	-45.9	0	0	0	117.8	M264 L428 A429 L430 K434 V435	M264-N432 HydrophobicContact CE-CB 3.53Å; M264-N432 WeakPolarHBondContact CE-ND2 3.29Å; M264-N432 HydrophobicContact CG-CB 4.34Å; M264-N432 WeakPolarHBondContact CG-OD1 3.23Å; M264-N432 HydrophobicContact SD-CB 3.91Å; M264-N432 PolarHBondContact SD-ND2 3.03Å; M264-N432 PolarHBondContact SD-OD1 3.08Å; L428-N432 PolarHBondContact O-N 3.47Å; A429-N432 PolarHBondContact O-OD1 3.36Å; L430-N432 VanDerWaalsContact C-N 3.28Å; L430-N432 PolarHBondContact O-ND2 3.04Å; L430-N432 PolarHBondContact O-OD1 3Å; N432-K434 PolarHBondContact O-N 2.8Å; N432-K434 VanDerWaalsContact O-N 3.1Å; N432-V435 HydrophobicContact CB-CG1 3.98Å; N432-V435 WeakPolarHBondContact O-CG1 3.35Å; N432-V435 PolarHBondContact O-N 2.82Å
433	P	84.3	Confident	88.3	Confident	21 Å²	21	36.5 Å²	36.5	14%	0.136	22%	0.215	C	C	.	.	H	α-helix	trans	-59.6	-31.9	-179.8	25.2	-34.2	0	0	0	111.6	S150 L428 K431 V435 F436 A437	S150-P433 WeakPolarHBondContact O-CB 3.35Å; L428-P433 HydrophobicContact CD1-CG 3.53Å; L428-P433 WeakPolarHBondContact O-CD 3.36Å; K431-P433 HydrophobicContact CB-CG 4.47Å; K431-P433 WeakPolarHBondContact O-CD 3.34Å; P433-V435 VanDerWaalsContact C-N 3.28Å; P433-V435 PolarHBondContact O-N 3.17Å; P433-F436 PolarHBondContact O-N 3.23Å; P433-A437 WeakPolarHBondContact O-CB 3.49Å; P433-A437 PolarHBondContact O-N 3.18Å
434	K	87.3	Confident	85.6	Confident	144 Å²	144	46.9 Å²	46.9	63%	0.626	26%	0.26	S	S	*	.	H	α-helix	trans	-62.5	-30.8	177.8	-65.7	-175.7	-179.7	176.3	0	113.5	N432 S438	N432-K434 PolarHBondContact O-N 2.8Å; N432-K434 VanDerWaalsContact O-N 3.1Å; K434-S438 WeakPolarHBondContact O-CB 3.31Å; K434-S438 PolarHBondContact O-N 3.46Å; K434-S438 VanDerWaalsContact O-N 3.13Å; K434-S438 PolarHBondContact O-OG 3.19Å
435	V	91.4	Very high	83	Confident	7 Å²	7	45.9 Å²	45.9	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-72.4	-46.2	177.5	82.7	0	0	0	0	109.7	W257 K260 L261 M264 N432 P433 A437 S438	W257-V435 PolarHBondContact NE1-O 3.31Å; K260-V435 HydrophobicContact CB-CG2 4.46Å; K260-V435 HydrophobicContact CD-CG2 4.2Å; K260-V435 HydrophobicContact CG-CG2 3.99Å; L261-V435 HydrophobicContact CB-CG2 4.2Å; L261-V435 HydrophobicContact CD1-CG1 3.64Å; L261-V435 HydrophobicContact CD1-CG2 4.4Å; M264-V435 HydrophobicContact CE-CG1 3.96Å; N432-V435 HydrophobicContact CB-CG1 3.98Å; N432-V435 WeakPolarHBondContact O-CG1 3.35Å; N432-V435 PolarHBondContact O-N 2.82Å; P433-V435 VanDerWaalsContact C-N 3.28Å; P433-V435 PolarHBondContact O-N 3.17Å; V435-A437 PolarHBondContact O-N 3.01Å; V435-S438 PolarHBondContact O-N 3.43Å; V435-S438 PolarHBondContact O-OG 3.28Å
436	F	92.6	Very high	80.1	Confident	0 Å²	0	45 Å²	45	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-40.4	175.5	-78	-119.9	0	0	0	111.7	M146 I155 L160 L198 L261 P433 S438 L439	M146-F436 HydrophobicContact CB-CD1 3.92Å; M146-F436 HydrophobicContact CB-CE1 4.09Å; M146-F436 HydrophobicContact CE-CD1 4Å; M146-F436 HydrophobicContact CE-CE1 3.35Å; M146-F436 HydrophobicContact CE-CZ 3.67Å; M146-F436 HydrophobicContact CG-CE1 4.19Å; M146-F436 WeakPolarHBondContact O-CD1 3.49Å; I155-F436 HydrophobicContact CD1-CB 4.43Å; I155-F436 HydrophobicContact CD1-CD1 3.76Å; I155-F436 HydrophobicContact CD1-CD2 3.78Å; I155-F436 HydrophobicContact CD1-CE1 3.88Å; I155-F436 HydrophobicContact CD1-CE2 3.94Å; I155-F436 HydrophobicContact CD1-CG 3.73Å; I155-F436 HydrophobicContact CD1-CZ 4Å; I155-F436 HydrophobicContact CG2-CE1 3.95Å; I155-F436 HydrophobicContact CG2-CZ 4.05Å; L160-F436 HydrophobicContact CD1-CE1 4.08Å; L198-F436 HydrophobicContact CD2-CZ 4.38Å; L261-F436 HydrophobicContact CD1-CE2 4.25Å; P433-F436 PolarHBondContact O-N 3.23Å; F436-S438 PolarHBondContact O-N 3Å; F436-L439 WeakPolarHBondContact O-CB 3.48Å; F436-L439 PolarHBondContact O-N 3.11Å; F436-L439 VanDerWaalsContact O-N 3.11Å
437	A	91.3	Very high	77.2	Confident	28 Å²	28	48.3 Å²	48.3	23%	0.231	30%	0.295	C	S	.	.	H	α-helix	trans	-62.1	-32.9	174.6	0	0	0	0	0	112.4	Y147 S150 P433 V435 L439 K440 S443	Y147-A437 WeakPolarHBondContact CE2-O 3.33Å; S150-A437 VanDerWaalsContact CB-N 3.3Å; P433-A437 WeakPolarHBondContact O-CB 3.49Å; P433-A437 PolarHBondContact O-N 3.18Å; V435-A437 PolarHBondContact O-N 3.01Å; A437-L439 PolarHBondContact O-N 2.89Å; A437-K440 PolarHBondContact O-N 2.74Å; A437-S443 PolarHBondContact O-OG 2.89Å
438	S	92.4	Very high	74.5	Confident	8 Å²	8	56.2 Å²	56.2	6%	0.056	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	2.2	178.1	70.6	0	0	0	0	115.1	H253 K260 K434 V435 F436 K440	H253-S438 PolarHBondContact NE2-O 3.48Å; K260-S438 PolarHBondContact NZ-OG 2.88Å; K434-S438 WeakPolarHBondContact O-CB 3.31Å; K434-S438 PolarHBondContact O-N 3.46Å; K434-S438 VanDerWaalsContact O-N 3.13Å; K434-S438 PolarHBondContact O-OG 3.19Å; V435-S438 PolarHBondContact O-N 3.43Å; V435-S438 PolarHBondContact O-OG 3.28Å; F436-S438 PolarHBondContact O-N 3Å; S438-K440 PolarHBondContact O-N 3.45Å
439	L	92.3	Very high	72	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-38.6	168.2	-163	71.4	0	0	0	109.7	L71 L74 Y143 M146 H253 W257 F436 A437	L71-L439 WeakPolarHBondContact CB-O 3.4Å; L71-L439 HydrophobicContact CD1-CD1 3.76Å; L71-L439 HydrophobicContact CD1-CG 3.94Å; L71-L439 WeakPolarHBondContact CD1-O 3.42Å; L74-L439 HydrophobicContact CD1-CB 3.93Å; L74-L439 HydrophobicContact CD1-CD2 3.62Å; L74-L439 HydrophobicContact CD1-CG 3.48Å; L74-L439 VanDerWaalsContact CD1-CG 3.48Å; Y143-L439 HydrophobicContact CD1-CD1 3.99Å; Y143-L439 HydrophobicContact CD1-CD2 3.9Å; Y143-L439 HydrophobicContact CD1-CG 4.5Å; Y143-L439 HydrophobicContact CE1-CD1 4.36Å; Y143-L439 HydrophobicContact CG-CD2 4.28Å; Y143-L439 WeakPolarHBondContact O-CD2 3.49Å; M146-L439 HydrophobicContact CB-CD2 4.24Å; H253-L439 PolarHBondContact CD2-O 3.16Å; H253-L439 PolarHBondContact NE2-O 2.86Å; H253-L439 VanDerWaalsContact NE2-O 3.09Å; W257-L439 HydrophobicContact CD2-CD1 3.25Å; W257-L439 HydrophobicContact CE3-CD1 3.43Å; W257-L439 VanDerWaalsContact CE3-CD1 3.43Å; W257-L439 HydrophobicContact CG-CD1 3.81Å; W257-L439 HydrophobicContact CH2-CD1 3.78Å; W257-L439 HydrophobicContact CZ2-CD1 3.63Å; W257-L439 HydrophobicContact CZ3-CD1 3.69Å; F436-L439 WeakPolarHBondContact O-CB 3.48Å; F436-L439 PolarHBondContact O-N 3.11Å; F436-L439 VanDerWaalsContact O-N 3.11Å; A437-L439 PolarHBondContact O-N 2.89Å
440	K	89.3	Confident	69.5	Low	60 Å²	60	60.1 Å²	60.1	26%	0.261	34%	0.339	S	S	.	.	S	Bend	trans	-77.5	124.3	168.9	-175.1	175.3	-176.4	145.3	0	111.4	L74 G75 Y147 A437 S438 S443	L74-K440 HydrophobicContact CB-CB 4.22Å; L74-K440 HydrophobicContact CB-CG 4.47Å; L74-K440 WeakPolarHBondContact O-CD 3.17Å; L74-K440 VanDerWaalsContact O-CE 3.28Å; L74-K440 WeakPolarHBondContact O-CE 3.44Å; L74-K440 PolarHBondContact O-NZ 3.04Å; G75-K440 PolarHBondContact O-NZ 3.32Å; Y147-K440 HydrophobicContact CD2-CB 4.15Å; Y147-K440 HydrophobicContact CE2-CB 3.61Å; Y147-K440 HydrophobicContact CE2-CD 4.36Å; Y147-K440 WeakPolarHBondContact OH-CD 3.4Å; A437-K440 PolarHBondContact O-N 2.74Å; S438-K440 PolarHBondContact O-N 3.45Å; K440-S443 WeakPolarHBondContact O-CB 3.44Å; K440-S443 PolarHBondContact O-OG 3.34Å
441	P	83.3	Confident	67.2	Low	41 Å²	41	63 Å²	63	27%	0.266	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	151.4	174.5	-19.4	27.4	0	0	0	113.1	S70 T72 H253 S443	S70-P441 WeakPolarHBondContact O-CG 3.27Å; T72-P441 HydrophobicContact CG2-CG 4.09Å; H253-P441 HydrophobicContact CB-CG 4.49Å; P441-S443 VanDerWaalsContact C-N 3.26Å; P441-S443 PolarHBondContact O-N 3.31Å
442	G	70.3	Confident	65.1	Low	84 Å²	84	69.5 Å²	69.5	87%	0.866	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	-9.3	179.7	0	0	0	0	0	114.7	K444	G442-K444 PolarHBondContact O-N 2.7Å
443	S	59.5	Low	63.3	Low	47 Å²	47	69.5 Å²	69.5	33%	0.329	38%	0.379	S	S	.	.	S	Bend	trans	-67.4	118	166.8	-55.4	0	0	0	0	109.3	A437 K440 P441 G445	A437-S443 PolarHBondContact O-OG 2.89Å; K440-S443 WeakPolarHBondContact O-CB 3.44Å; K440-S443 PolarHBondContact O-OG 3.34Å; P441-S443 VanDerWaalsContact C-N 3.26Å; P441-S443 PolarHBondContact O-N 3.31Å; S443-G445 PolarHBondContact O-N 2.74Å
444	K	39.1	Very low	61.4	Low	219 Å²	219	68.8 Å²	68.8	95%	0.952	37%	0.374	S	S	*	.	S	Bend	trans	-52.1	108	-176.4	-66.4	-174.6	-179	-179.6	0	111.1	G442	G442-K444 PolarHBondContact O-N 2.7Å
445	G	41.7	Very low	59.4	Low	43 Å²	43	64.6 Å²	64.6	44%	0.443	37%	0.367	S	S	.	.			trans	-164.6	100.5	175.3	0	0	0	0	0	111.4	S443	S443-G445 PolarHBondContact O-N 2.74Å
446	S	32.8	Very low	57.4	Low	99 Å²	99	67.5 Å²	67.5	69%	0.692	38%	0.379	S	S	*	.			trans	-62.4	138	177.2	-49.3	0	0	0	0	111.3
447	C	35.2	Very low	55.2	Low	76 Å²	76	67.8 Å²	67.8	51%	0.514	38%	0.381	S	S	.	.			trans	-106.4	125.7	173.7	-174.8	0	0	0	0	109.2
448	Y	37	Very low	53	Low	171 Å²	171	68.5 Å²	68.5	67%	0.671	38%	0.381	S	S	*	.			trans	-120.4	131.2	162.9	-69.3	-81.5	0	0	0	107.7
449	Q	38.3	Very low	50.8	Low	156 Å²	156	72.1 Å²	72.1	73%	0.729	40%	0.4	S	S	*	.			trans	-66.1	130.7	177.1	-76.7	175.3	-29	0	0	109.9
450	C	38.6	Very low	48.6	Very low	21 Å²	21	73.6 Å²	73.6	14%	0.142	41%	0.405	C	S	.	.			trans	-126.2	105.5	167.1	-171.6	0	0	0	0	109	K292	K292-C450 PolarHBondContact O-SG 3.36Å
451	N	43.6	Very low	46.2	Very low	60 Å²	60	74.7 Å²	74.7	32%	0.321	42%	0.419	S	S	.	.			trans	-105.7	1.6	-171	-76.6	-24.5	0	0	0	114.6	Q224	Q224-N451 PolarHBondContact NE2-OD1 3.01Å
452	Y	44	Very low	44	Very low	168 Å²	168	80 Å²	80	66%	0.659	44%	0.437	S	S	*	.	S	Bend	trans	-108.2	-14.8	-165.8	-75	-80.2	0	0	0	116.8
453	F	44.2	Very low	42.5	Very low	7 Å²	7	80.8 Å²	80.8	3%	0.031	42%	0.421	C	S	.	.	H	α-helix	trans	-73.4	-37.7	-169.5	-179.3	-72.6	0	0	0	113.2	L266 F269 S270 L277 L289	L266-F453 HydrophobicContact CD1-CD1 3.21Å; L266-F453 HydrophobicContact CD1-CE1 3.29Å; L266-F453 HydrophobicContact CD1-CG 4.17Å; L266-F453 HydrophobicContact CD1-CZ 4.32Å; L266-F453 HydrophobicContact CD2-CB 3.34Å; L266-F453 HydrophobicContact CD2-CD1 3.25Å; L266-F453 HydrophobicContact CD2-CD2 4.21Å; L266-F453 HydrophobicContact CD2-CE1 4.09Å; L266-F453 HydrophobicContact CD2-CG 3.32Å; L266-F453 HydrophobicContact CG-CB 4.24Å; L266-F453 HydrophobicContact CG-CD1 3.2Å; L266-F453 HydrophobicContact CG-CD2 4.29Å; L266-F453 HydrophobicContact CG-CE1 3.5Å; L266-F453 VanDerWaalsContact CG-CE1 3.5Å; L266-F453 HydrophobicContact CG-CG 3.65Å; L266-F453 HydrophobicContact CG-CZ 4.2Å; F269-F453 HydrophobicContact CD1-CE1 4.37Å; F269-F453 HydrophobicContact CD1-CZ 4.46Å; S270-F453 WeakPolarHBondContact OG-CE2 3.34Å; S270-F453 WeakPolarHBondContact OG-CZ 3.4Å; L277-F453 HydrophobicContact CD1-CZ 4.48Å; L289-F453 HydrophobicContact CD1-CD2 3.49Å; L289-F453 VanDerWaalsContact CD1-CD2 3.49Å; L289-F453 HydrophobicContact CD1-CE2 3.48Å; L289-F453 VanDerWaalsContact CD1-CE2 3.48Å; L289-F453 HydrophobicContact CD1-CG 4.03Å; L289-F453 HydrophobicContact CD1-CZ 4.04Å; L289-F453 HydrophobicContact CD2-CD2 4.11Å; L289-F453 HydrophobicContact CD2-CE2 3.31Å; L289-F453 HydrophobicContact CD2-CZ 3.83Å; L289-F453 HydrophobicContact CG-CD2 3.45Å; L289-F453 VanDerWaalsContact CG-CD2 3.45Å; L289-F453 HydrophobicContact CG-CE2 3.19Å; L289-F453 HydrophobicContact CG-CG 4.44Å; L289-F453 HydrophobicContact CG-CZ 4.06Å
454	V	46	Very low	41.5	Very low	5 Å²	5	82.6 Å²	82.6	3%	0.03	43%	0.427	C	S	.	.	H	α-helix	trans	-74.3	-42.3	-173.6	-160.2	0	0	0	0	109.5	H220 L266 F456 C457 L458	H220-V454 HydrophobicContact CB-CB 4.23Å; H220-V454 HydrophobicContact CB-CG1 3.94Å; H220-V454 HydrophobicContact CB-CG2 3.85Å; H220-V454 VanDerWaalsContact CD2-CB 3.42Å; H220-V454 WeakPolarHBondContact CD2-CB 3.39Å; H220-V454 VanDerWaalsContact CG-CG2 3.41Å; H220-V454 WeakPolarHBondContact ND1-CG2 3.47Å; L266-V454 HydrophobicContact CD1-CG2 4.17Å; L266-V454 HydrophobicContact CD2-CG2 4.01Å; V454-F456 CarbonylContact O-C 3.58Å; V454-F456 PolarHBondContact O-N 3.37Å; V454-C457 CarbonylContact O-C 3.51Å; V454-C457 PolarHBondContact O-N 3.43Å; V454-L458 HydrophobicContact CB-CD1 4.1Å; V454-L458 HydrophobicContact CG1-CD1 3.48Å; V454-L458 VanDerWaalsContact CG1-CD1 3.48Å; V454-L458 HydrophobicContact CG1-CD2 4.04Å; V454-L458 HydrophobicContact CG1-CG 3.71Å; V454-L458 WeakPolarHBondContact O-CB 3.33Å; V454-L458 WeakPolarHBondContact O-CG 3.5Å; V454-L458 PolarHBondContact O-N 3.26Å
455	A	45.3	Very low	41.2	Very low	57 Å²	57	79.4 Å²	79.4	47%	0.471	42%	0.419	S	S	.	.	H	α-helix	trans	-47.7	-32.3	176.6	0	0	0	0	0	114.5
456	F	49.1	Very low	40.7	Very low	67 Å²	67	84.8 Å²	84.8	29%	0.294	43%	0.433	S	S	.	.	H	α-helix	trans	-77.2	-45.3	176.2	-169.6	-113.6	0	0	0	113.3	T281 E285 L289 V454 L458	T281-F456 HydrophobicContact CG2-CD1 4.18Å; T281-F456 HydrophobicContact CG2-CE1 3.11Å; T281-F456 HydrophobicContact CG2-CZ 3.46Å; T281-F456 VanDerWaalsContact CG2-CZ 3.46Å; E285-F456 HydrophobicContact CB-CE1 4.26Å; E285-F456 HydrophobicContact CB-CE2 4.2Å; E285-F456 HydrophobicContact CB-CZ 3.61Å; E285-F456 HydrophobicContact CG-CE2 4.14Å; E285-F456 HydrophobicContact CG-CZ 4.02Å; L289-F456 HydrophobicContact CD1-CB 4.44Å; L289-F456 HydrophobicContact CD1-CD1 3.71Å; L289-F456 HydrophobicContact CD1-CE1 4.35Å; L289-F456 HydrophobicContact CD1-CG 4.46Å; V454-F456 CarbonylContact O-C 3.58Å; V454-F456 PolarHBondContact O-N 3.37Å; F456-L458 PolarHBondContact O-N 3.18Å
457	C	46.2	Very low	40.7	Very low	6 Å²	6	91 Å²	91	4%	0.041	44%	0.441	C	S	.	.	H	α-helix	trans	-70.9	-5.7	173.6	-58.8	0	0	0	0	113.4	L213 V454 Y460	L213-C457 HydrophobicContact CD1-CB 3.7Å; V454-C457 CarbonylContact O-C 3.51Å; V454-C457 PolarHBondContact O-N 3.43Å; C457-Y460 VanDerWaalsContact O-CB 3.28Å; C457-Y460 WeakPolarHBondContact O-CB 3.22Å
458	L	44.5	Very low	40.6	Very low	43 Å²	43	100.1 Å²	100.1	23%	0.225	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-4.7	-179.5	-63.9	172.5	0	0	0	115.5	H217 V454 F456 Y460 P461	H217-L458 HydrophobicContact CB-CD2 3.51Å; H217-L458 WeakPolarHBondContact CD2-CD2 3.26Å; H217-L458 WeakPolarHBondContact CE1-CD1 3.47Å; H217-L458 WeakPolarHBondContact CE1-CD2 3.28Å; H217-L458 WeakPolarHBondContact ND1-CD1 3.34Å; H217-L458 WeakPolarHBondContact ND1-CD2 3.22Å; H217-L458 WeakPolarHBondContact NE2-CD2 3.44Å; V454-L458 HydrophobicContact CB-CD1 4.1Å; V454-L458 HydrophobicContact CG1-CD1 3.48Å; V454-L458 VanDerWaalsContact CG1-CD1 3.48Å; V454-L458 HydrophobicContact CG1-CD2 4.04Å; V454-L458 HydrophobicContact CG1-CG 3.71Å; V454-L458 WeakPolarHBondContact O-CB 3.33Å; V454-L458 WeakPolarHBondContact O-CG 3.5Å; V454-L458 PolarHBondContact O-N 3.26Å; F456-L458 PolarHBondContact O-N 3.18Å; L458-Y460 PolarHBondContact O-N 3.31Å; L458-P461 WeakPolarHBondContact O-CD 3.43Å
459	N	46	Very low	40.8	Very low	85 Å²	85	96.6 Å²	96.6	46%	0.455	46%	0.462	S	S	.	.	S	Bend	trans	-77.2	1.3	161.5	-80.1	-46	0	0	0	112.4	P461 K462 L463	N459-P461 VanDerWaalsContact C-CD 3.49Å; N459-K462 PolarHBondContact O-N 3.25Å; N459-K462 VanDerWaalsContact O-N 3.15Å; N459-L463 PolarHBondContact O-N 3.04Å
460	Y	46.7	Very low	40.9	Very low	30 Å²	30	93.4 Å²	93.4	12%	0.118	45%	0.448	C	S	.	.	H	α-helix	trans	-57.5	-38	178.7	-143.4	-87.7	0	0	0	115	F209 L213 Q280 C457 L458 K462 L463 L464	F209-Y460 HydrophobicContact CE1-CE2 4.12Å; F209-Y460 AromaticContact CE1-CZ 3.76Å; F209-Y460 WeakPolarHBondContact CE1-OH 3.42Å; F209-Y460 HydrophobicContact CZ-CE2 4.11Å; L213-Y460 HydrophobicContact CD2-CD2 4.28Å; L213-Y460 HydrophobicContact CD2-CG 4.28Å; Q280-Y460 PolarHBondContact NE2-OH 3.14Å; Q280-Y460 PolarHBondContact OE1-OH 2.8Å; C457-Y460 VanDerWaalsContact O-CB 3.28Å; C457-Y460 WeakPolarHBondContact O-CB 3.22Å; L458-Y460 PolarHBondContact O-N 3.31Å; Y460-K462 VanDerWaalsContact C-N 3.31Å; Y460-K462 PolarHBondContact O-N 2.88Å; Y460-L463 PolarHBondContact O-N 2.94Å; Y460-L464 HydrophobicContact CD1-CD1 3.79Å; Y460-L464 HydrophobicContact CD1-CG 4.36Å; Y460-L464 HydrophobicContact CE1-CD1 3.86Å; Y460-L464 HydrophobicContact CE1-CG 4.32Å; Y460-L464 PolarHBondContact O-N 3.45Å
461	P	38.3	Very low	41	Very low	84 Å²	84	97.4 Å²	97.4	55%	0.545	47%	0.465	S	S	.	.	H	α-helix	trans	-67.2	-30.1	175.8	-18	31.5	0	0	0	113.2	L458 N459	L458-P461 WeakPolarHBondContact O-CD 3.43Å; N459-P461 VanDerWaalsContact C-CD 3.49Å
462	K	38.7	Very low	40.9	Very low	151 Å²	151	99.6 Å²	99.6	66%	0.657	47%	0.474	S	S	*	.	H	α-helix	trans	-73.5	-29.5	177.1	-77	-175.1	175.9	-179.9	0	112.3	N459 Y460	N459-K462 PolarHBondContact O-N 3.25Å; N459-K462 VanDerWaalsContact O-N 3.15Å; Y460-K462 VanDerWaalsContact C-N 3.31Å; Y460-K462 PolarHBondContact O-N 2.88Å
463	L	37.5	Very low	40.7	Very low	101 Å²	101	95.4 Å²	95.4	53%	0.529	46%	0.462	S	S	.	.	H	α-helix	trans	-82.6	-29.1	179.8	-89.6	143.8	0	0	0	113.9	N459 Y460 L465 Q466	N459-L463 PolarHBondContact O-N 3.04Å; Y460-L463 PolarHBondContact O-N 2.94Å; L463-L465 VanDerWaalsContact C-N 3.27Å; L463-L465 PolarHBondContact O-N 3.44Å; L463-Q466 PolarHBondContact O-N 3.04Å
464	L	38.4	Very low	40.4	Very low	86 Å²	86	101.3 Å²	101.3	45%	0.45	49%	0.491	S	S	.	.	H	α-helix	trans	-70.1	-22.2	172.4	-85.1	164.6	0	0	0	113.3	Y330 Y460	Y330-L464 HydrophobicContact CD1-CD2 4.28Å; Y330-L464 HydrophobicContact CE1-CD2 4.41Å; Y460-L464 HydrophobicContact CD1-CD1 3.79Å; Y460-L464 HydrophobicContact CD1-CG 4.36Å; Y460-L464 HydrophobicContact CE1-CD1 3.86Å; Y460-L464 HydrophobicContact CE1-CG 4.32Å; Y460-L464 PolarHBondContact O-N 3.45Å
465	L	33.9	Very low	40	Very low	151 Å²	151	108.1 Å²	108.1	79%	0.791	52%	0.524	S	S	*	.	S	Bend	trans	-91.7	-10.9	176.6	-85.9	156.6	0	0	0	114	L463	L463-L465 VanDerWaalsContact C-N 3.27Å; L463-L465 PolarHBondContact O-N 3.44Å
466	Q	31	Very low	39.6	Very low	157 Å²	157	112.1 Å²	112.1	73%	0.734	53%	0.528	S	S	*	.	S	Bend	trans	-101.9	-1.2	-179.8	-78.9	-171.6	-17.8	0	0	114.5	L463	L463-Q466 PolarHBondContact O-N 3.04Å
467	R	32.8	Very low	38.9	Very low	229 Å²	229	115.8 Å²	115.8	86%	0.864	55%	0.547	S	S	*	.			trans	-119	68.5	166.4	-74.7	-171	177.3	-176.5	0.5	110
468	K	32.1	Very low	38.2	Very low	267 Å²	267	125.8 Å²	125.8	100%	1.161	59%	0.593	S	S	*	*			trans	-119.4	0	147.8	-88.3	-167.7	175.4	-175.9	0	107.7

Retrieved 468 of 468 residues in 90.4 ms (Link to these results)

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