A0A077ZI82_TRITR Loading...

RNA-directed DNA polymerase AlphaSync

AlphaFold DB , UniProt , Accession A0A077ZI82, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 699 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	64.1	Low	84.1	Confident	166 Å²	166	104.7 Å²	104.7	82%	0.818	52%	0.515	S	S	*	.				0	-48.7	0	-74.6	-157.9	-151.2	0	0	113.8	I3 A4 P70	M1-I3 PolarHBondContact O-N 2.92Å; M1-A4 WeakPolarHBondContact O-CB 3.36Å; M1-A4 PolarHBondContact O-N 3.02Å; M1-P70 HydrophobicContact CB-CB 4.22Å; M1-P70 HydrophobicContact SD-CB 4.4Å
2	L	78	Confident	84.5	Confident	67 Å²	67	108.2 Å²	108.2	35%	0.351	52%	0.518	S	S	.	.			trans	-59.5	-38	173.2	-86.9	157.3	0	0	0	112	A4 N5 W6 L9 V32 Y68 P70	L2-A4 PolarHBondContact O-N 3.27Å; L2-N5 CarbonylContact O-C 3.59Å; L2-N5 WeakPolarHBondContact O-CA 3.47Å; L2-N5 PolarHBondContact O-N 3.22Å; L2-W6 PolarHBondContact O-N 2.94Å; L2-L9 HydrophobicContact CD2-CD1 4.36Å; L2-V32 HydrophobicContact CD2-CG1 4.27Å; L2-Y68 HydrophobicContact CD2-CE1 4.13Å; L2-P70 HydrophobicContact CD1-CG 4.11Å; L2-P70 HydrophobicContact CD2-CG 4.44Å; L2-P70 HydrophobicContact CG-CG 3.79Å
3	I	78.9	Confident	85	Confident	139 Å²	139	112.8 Å²	112.8	71%	0.713	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-51.9	-36.8	174.8	-60	167.3	0	0	0	112.3	M1 N5 W6	M1-I3 PolarHBondContact O-N 2.92Å; I3-N5 PolarHBondContact O-N 3.29Å; I3-W6 VanDerWaalsContact O-CB 3.27Å; I3-W6 WeakPolarHBondContact O-CB 3.34Å; I3-W6 PolarHBondContact O-N 3.08Å
4	A	81	Confident	85.3	Confident	87 Å²	87	110.1 Å²	110.1	72%	0.719	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-68.6	-6.6	178.7	0	0	0	0	0	113.5	M1 L2	M1-A4 WeakPolarHBondContact O-CB 3.36Å; M1-A4 PolarHBondContact O-N 3.02Å; L2-A4 PolarHBondContact O-N 3.27Å
5	N	84.5	Confident	85.8	Confident	17 Å²	17	107.6 Å²	107.6	9%	0.091	55%	0.551	C	S	.	*	G	3₁₀ helix	trans	-119.5	15.4	175.8	-68.4	-88.7	0	0	0	111.5	L2 I3 D7 R8 L9 R18 Y68	L2-N5 CarbonylContact O-C 3.59Å; L2-N5 WeakPolarHBondContact O-CA 3.47Å; L2-N5 PolarHBondContact O-N 3.22Å; I3-N5 PolarHBondContact O-N 3.29Å; N5-D7 VanDerWaalsContact C-N 3.29Å; N5-D7 PolarHBondContact O-N 2.99Å; N5-R8 CarbonylContact O-C 3.6Å; N5-R8 WeakPolarHBondContact O-CA 3.44Å; N5-R8 WeakPolarHBondContact O-CB 3.41Å; N5-R8 PolarHBondContact O-N 2.78Å; N5-L9 WeakPolarHBondContact O-CG 3.47Å; N5-L9 PolarHBondContact O-N 3.22Å; N5-R18 PolarHBondContact OD1-NE 3.4Å; N5-R18 PolarHBondContact OD1-NH2 3.36Å; N5-Y68 PolarHBondContact ND2-OH 3.49Å
6	W	86.5	Confident	86.2	Confident	181 Å²	181	104.9 Å²	104.9	69%	0.686	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-51	-48.6	-172.6	-170.6	-104.6	0	0	0	112.4	L2 I3 R8 L9	L2-W6 PolarHBondContact O-N 2.94Å; I3-W6 VanDerWaalsContact O-CB 3.27Å; I3-W6 WeakPolarHBondContact O-CB 3.34Å; I3-W6 PolarHBondContact O-N 3.08Å; W6-R8 PolarHBondContact O-N 3.48Å; W6-R8 VanDerWaalsContact O-N 3.08Å; W6-L9 HydrophobicContact CE3-CD1 4.34Å; W6-L9 PolarHBondContact O-N 2.8Å
7	D	88.4	Confident	86.6	Confident	130 Å²	130	102.7 Å²	102.7	70%	0.695	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-65.9	-17.3	-178.8	-48.6	-42.1	0	0	0	113.6	N5 R10	N5-D7 VanDerWaalsContact C-N 3.29Å; N5-D7 PolarHBondContact O-N 2.99Å; D7-R10 PolarHBondContact O-NH2 2.87Å
8	R	89.5	Confident	87	Confident	97 Å²	97	97.9 Å²	97.9	37%	0.366	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-96.8	-4	179.3	-54	-174.2	-174	-173.2	0.6	112.6	N5 W6 R18 E19 Y21	N5-R8 CarbonylContact O-C 3.6Å; N5-R8 WeakPolarHBondContact O-CA 3.44Å; N5-R8 WeakPolarHBondContact O-CB 3.41Å; N5-R8 PolarHBondContact O-N 2.78Å; W6-R8 PolarHBondContact O-N 3.48Å; W6-R8 VanDerWaalsContact O-N 3.08Å; R8-R18 HydrophobicContact CB-CG 4.32Å; R8-R18 CarbonylContact O-C 3.6Å; R8-R18 WeakPolarHBondContact O-CA 3.41Å; R8-E19 PolarHBondContact O-N 2.89Å; R8-Y21 HydrophobicContact CG-CE2 4.32Å
9	L	91.8	Very high	87.2	Confident	25 Å²	25	94.6 Å²	94.6	13%	0.131	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	137.4	-179.2	-66.1	175.1	0	0	0	110.8	L2 N5 W6 L16 W17 R18 V32	L2-L9 HydrophobicContact CD2-CD1 4.36Å; N5-L9 WeakPolarHBondContact O-CG 3.47Å; N5-L9 PolarHBondContact O-N 3.22Å; W6-L9 HydrophobicContact CE3-CD1 4.34Å; W6-L9 PolarHBondContact O-N 2.8Å; L9-L16 HydrophobicContact CB-CD1 4.2Å; L9-L16 HydrophobicContact CD2-CD1 4.41Å; L9-L16 HydrophobicContact CD2-CG 4.46Å; L9-W17 CarbonylContact C-O 3.46Å; L9-W17 WeakPolarHBondContact CA-O 3.47Å; L9-R18 HydrophobicContact CD2-CB 4.01Å; L9-R18 HydrophobicContact CD2-CG 4.48Å; L9-V32 HydrophobicContact CD2-CG2 4.04Å
10	R	90.8	Very high	87.3	Confident	113 Å²	113	91.8 Å²	91.8	43%	0.426	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	136.4	179.7	-59	-66.4	178.8	-132.4	4	109.2	D7 W17 E19	D7-R10 PolarHBondContact O-NH2 2.87Å; R10-W17 PolarHBondContact N-O 3.19Å; R10-W17 WeakPolarHBondContact O-CA 3.27Å; R10-W17 WeakPolarHBondContact O-CB 3.39Å; R10-W17 PolarHBondContact O-N 3.03Å; R10-E19 IonicContact NE-OE2 3.18Å
11	I	91.8	Very high	87.3	Confident	130 Å²	130	92.1 Å²	92.1	67%	0.667	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	127	172	-62.2	172.7	0	0	0	107.8	I15 L16	I11-I15 WeakPolarHBondContact CA-O 3.43Å; I11-L16 HydrophobicContact CG1-CD1 3.93Å
12	R	89.3	Confident	88.2	Confident	146 Å²	146	86.5 Å²	86.5	55%	0.551	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	125.3	174.3	-67.9	-172.3	177.9	-168.8	0.8	108.8	G14 I15	R12-G14 VanDerWaalsContact C-N 3.26Å; R12-G14 PolarHBondContact O-N 3.41Å; R12-I15 PolarHBondContact N-O 3.18Å; R12-I15 WeakPolarHBondContact O-CB 3.37Å; R12-I15 PolarHBondContact O-N 3.47Å
13	N	90.2	Very high	88.5	Confident	168 Å²	168	90.5 Å²	90.5	90%	0.898	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	43	-179	-57.6	-16.3	0	0	0	113.2	I15	N13-I15 PolarHBondContact O-N 2.87Å
14	G	90.1	Very high	88.8	Confident	75 Å²	75	89.7 Å²	89.7	77%	0.773	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	1.8	-178	0	0	0	0	0	115.4	R12	R12-G14 VanDerWaalsContact C-N 3.26Å; R12-G14 PolarHBondContact O-N 3.41Å
15	I	91.7	Very high	88.9	Confident	73 Å²	73	88.5 Å²	88.5	37%	0.374	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	137.1	-179.6	-62.9	172.8	0	0	0	110.4	I11 R12 N13 W17 F31	I11-I15 WeakPolarHBondContact CA-O 3.43Å; R12-I15 PolarHBondContact N-O 3.18Å; R12-I15 WeakPolarHBondContact O-CB 3.37Å; R12-I15 PolarHBondContact O-N 3.47Å; N13-I15 PolarHBondContact O-N 2.87Å; I15-W17 HydrophobicContact CG2-CZ2 4.33Å; I15-F31 HydrophobicContact CG2-CD2 3.45Å; I15-F31 VanDerWaalsContact CG2-CD2 3.45Å; I15-F31 HydrophobicContact CG2-CE2 3.41Å; I15-F31 VanDerWaalsContact CG2-CE2 3.41Å
16	L	92.7	Very high	89.1	Confident	64 Å²	64	90.4 Å²	90.4	34%	0.335	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	126.1	175.7	-172.9	66.3	0	0	0	111.5	L9 I11 V32	L9-L16 HydrophobicContact CB-CD1 4.2Å; L9-L16 HydrophobicContact CD2-CD1 4.41Å; L9-L16 HydrophobicContact CD2-CG 4.46Å; I11-L16 HydrophobicContact CG1-CD1 3.93Å; L16-V32 HydrophobicContact CB-CB 4.22Å; L16-V32 HydrophobicContact CD2-CB 4Å; L16-V32 HydrophobicContact CD2-CG1 3.91Å; L16-V32 HydrophobicContact CD2-CG2 4.2Å; L16-V32 HydrophobicContact CG-CB 3.98Å; L16-V32 HydrophobicContact CG-CG1 4.44Å; L16-V32 HydrophobicContact CG-CG2 3.92Å; L16-V32 WeakPolarHBondContact O-CB 3.46Å; L16-V32 PolarHBondContact O-N 3.02Å
17	W	93.5	Very high	89.2	Confident	68 Å²	68	84.7 Å²	84.7	26%	0.258	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	154.4	178.1	-62.7	86.3	0	0	0	110.8	L9 R10 I15 L29 Q30 F31	L9-W17 CarbonylContact C-O 3.46Å; L9-W17 WeakPolarHBondContact CA-O 3.47Å; R10-W17 PolarHBondContact N-O 3.19Å; R10-W17 WeakPolarHBondContact O-CA 3.27Å; R10-W17 WeakPolarHBondContact O-CB 3.39Å; R10-W17 PolarHBondContact O-N 3.03Å; I15-W17 HydrophobicContact CG2-CZ2 4.33Å; W17-L29 HydrophobicContact CB-CD2 4.2Å; W17-L29 HydrophobicContact CD2-CB 4.37Å; W17-L29 HydrophobicContact CE3-CB 3.7Å; W17-L29 HydrophobicContact CZ3-CB 4.29Å; W17-Q30 CarbonylContact C-O 3.58Å; W17-Q30 WeakPolarHBondContact CA-O 3.46Å; W17-F31 HydrophobicContact CE3-CB 4.05Å; W17-F31 HydrophobicContact CH2-CB 4.09Å; W17-F31 HydrophobicContact CZ3-CB 3.75Å
18	R	92.8	Very high	89.2	Confident	16 Å²	16	81.5 Å²	81.5	6%	0.06	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.1	170.9	177.1	-176.9	178.7	-139.3	7.4	109.6	N5 R8 L9 Q30 V32 Y68	N5-R18 PolarHBondContact OD1-NE 3.4Å; N5-R18 PolarHBondContact OD1-NH2 3.36Å; R8-R18 HydrophobicContact CB-CG 4.32Å; R8-R18 CarbonylContact O-C 3.6Å; R8-R18 WeakPolarHBondContact O-CA 3.41Å; L9-R18 HydrophobicContact CD2-CB 4.01Å; L9-R18 HydrophobicContact CD2-CG 4.48Å; R18-Q30 HydrophobicContact CB-CB 4.32Å; R18-Q30 PolarHBondContact N-O 2.78Å; R18-Q30 VanDerWaalsContact NH1-OE1 3.1Å; R18-Q30 PolarHBondContact O-N 3.02Å; R18-V32 HydrophobicContact CB-CG2 4.01Å; R18-Y68 HydrophobicContact CB-CD1 4.32Å; R18-Y68 HydrophobicContact CG-CD1 4.49Å
19	E	91.3	Very high	89.3	Confident	36 Å²	36	79.2 Å²	79.2	17%	0.168	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	121.2	173.1	-162.7	166.2	-173.6	0	0	110.1	R8 R10 Y21 S27 L29	R8-E19 PolarHBondContact O-N 2.89Å; R10-E19 IonicContact NE-OE2 3.18Å; E19-Y21 VanDerWaalsContact CD-OH 3.23Å; E19-Y21 HydrophobicContact CG-CE1 3.97Å; E19-Y21 HydrophobicContact CG-CE2 4.39Å; E19-Y21 PolarHBondContact OE2-OH 3.25Å; E19-S27 WeakPolarHBondContact OE1-CB 3.39Å; E19-S27 PolarHBondContact OE1-OG 2.79Å; E19-L29 HydrophobicContact CB-CD2 4.27Å; E19-L29 HydrophobicContact CG-CD2 4.45Å
20	W	89	Confident	89.4	Confident	37 Å²	37	78 Å²	78	14%	0.14	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120	179.2	177.3	-79.5	0	0	0	109.3	E22 S27 R28 Q30 R64	W20-E22 PolarHBondContact NE1-OE2 2.99Å; W20-S27 CarbonylContact O-C 3.57Å; W20-S27 WeakPolarHBondContact O-CA 3.46Å; W20-R28 HydrophobicContact CB-CG 3.99Å; W20-R28 VanDerWaalsContact CD1-CZ 3.46Å; W20-R28 HydrophobicContact CG-CG 4.41Å; W20-R28 PolarHBondContact N-O 3.47Å; W20-R28 PolarHBondContact O-N 2.76Å; W20-Q30 HydrophobicContact CB-CG 4.21Å; W20-R64 VanDerWaalsContact CZ2-CZ 3.44Å
21	Y	87.4	Confident	89.5	Confident	99 Å²	99	74.7 Å²	74.7	39%	0.388	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	127.8	175.6	-52.5	-77.9	0	0	0	110.1	R8 E19 S26	R8-Y21 HydrophobicContact CG-CE2 4.32Å; E19-Y21 VanDerWaalsContact CD-OH 3.23Å; E19-Y21 HydrophobicContact CG-CE1 3.97Å; E19-Y21 HydrophobicContact CG-CE2 4.39Å; E19-Y21 PolarHBondContact OE2-OH 3.25Å; Y21-S26 WeakPolarHBondContact CA-O 3.38Å
22	E	83.7	Confident	89.6	Confident	49 Å²	49	69.3 Å²	69.3	23%	0.229	38%	0.381	C	S	.	.			trans	-91	168.9	172.2	-151.6	78.5	139.6	0	0	110.1	W20 D24 G25 S26 R28 R64	W20-E22 PolarHBondContact NE1-OE2 2.99Å; E22-D24 WeakPolarHBondContact CB-OD1 3.3Å; E22-D24 PolarHBondContact O-N 3.09Å; E22-G25 PolarHBondContact O-N 2.89Å; E22-G25 VanDerWaalsContact O-N 3.14Å; E22-S26 PolarHBondContact N-O 2.89Å; E22-R28 IonicContact OE1-CZ 3.92Å; E22-R28 IonicContact OE1-NH1 2.7Å; E22-R28 PolarHBondContact OE1-NH1 3.27Å; E22-R28 IonicContact OE1-NH2 3.88Å; E22-R28 PolarHBondContact OE1-NH2 2.86Å; E22-R28 IonicContact OE2-CZ 2.8Å; E22-R28 IonicContact OE2-NH1 3.38Å; E22-R28 IonicContact OE2-NH2 2.96Å; E22-R28 PolarHBondContact OE2-NH2 2.86Å; E22-R64 IonicContact OE1-NH2 3.92Å; E22-R64 IonicContact OE2-CZ 3.63Å; E22-R64 IonicContact OE2-NH2 3.17Å; E22-R64 PolarHBondContact OE2-NH2 3.15Å
23	T	83.3	Confident	89.8	Confident	151 Å²	151	62.7 Å²	62.7	93%	0.926	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-20.4	-173.1	47.2	0	0	0	0	113.8	G25	T23-G25 PolarHBondContact O-N 2.87Å
24	D	86.1	Confident	89.9	Confident	121 Å²	121	57.6 Å²	57.6	65%	0.647	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	2.2	175.4	59.8	1.4	0	0	0	112.8	E22 S26	E22-D24 WeakPolarHBondContact CB-OD1 3.3Å; E22-D24 PolarHBondContact O-N 3.09Å; D24-S26 VanDerWaalsContact C-N 3.27Å; D24-S26 VanDerWaalsContact CG-OG 3.32Å; D24-S26 PolarHBondContact O-N 3.26Å; D24-S26 VanDerWaalsContact OD1-CB 3.26Å; D24-S26 WeakPolarHBondContact OD1-CB 3.43Å; D24-S26 PolarHBondContact OD1-N 3.32Å; D24-S26 PolarHBondContact OD1-OG 2.81Å; D24-S26 PolarHBondContact OD2-OG 2.78Å
25	G	83.6	Confident	90	Very high	63 Å²	63	63.4 Å²	63.4	65%	0.649	34%	0.337	S	S	*	.	S	Bend	trans	84.4	-6.9	-176.3	0	0	0	0	0	114.1	E22 T23	E22-G25 PolarHBondContact O-N 2.89Å; E22-G25 VanDerWaalsContact O-N 3.14Å; T23-G25 PolarHBondContact O-N 2.87Å
26	S	88	Confident	90.1	Very high	56 Å²	56	68.8 Å²	68.8	39%	0.392	36%	0.361	S	S	.	.			trans	-67.5	143.5	175.6	70.2	0	0	0	0	110.9	Y21 E22 D24	Y21-S26 WeakPolarHBondContact CA-O 3.38Å; E22-S26 PolarHBondContact N-O 2.89Å; D24-S26 VanDerWaalsContact C-N 3.27Å; D24-S26 VanDerWaalsContact CG-OG 3.32Å; D24-S26 PolarHBondContact O-N 3.26Å; D24-S26 VanDerWaalsContact OD1-CB 3.26Å; D24-S26 WeakPolarHBondContact OD1-CB 3.43Å; D24-S26 PolarHBondContact OD1-N 3.32Å; D24-S26 PolarHBondContact OD1-OG 2.81Å; D24-S26 PolarHBondContact OD2-OG 2.78Å
27	S	87.6	Confident	90.1	Very high	61 Å²	61	70.1 Å²	70.1	43%	0.427	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	144.6	173	89.7	0	0	0	0	111.1	E19 W20	E19-S27 WeakPolarHBondContact OE1-CB 3.39Å; E19-S27 PolarHBondContact OE1-OG 2.79Å; W20-S27 CarbonylContact O-C 3.57Å; W20-S27 WeakPolarHBondContact O-CA 3.46Å
28	R	88.6	Confident	90.1	Very high	63 Å²	63	67.5 Å²	67.5	24%	0.238	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	148.1	175.3	63.7	179.9	173.5	-121.3	-9.7	111	W20 E22	W20-R28 HydrophobicContact CB-CG 3.99Å; W20-R28 VanDerWaalsContact CD1-CZ 3.46Å; W20-R28 HydrophobicContact CG-CG 4.41Å; W20-R28 PolarHBondContact N-O 3.47Å; W20-R28 PolarHBondContact O-N 2.76Å; E22-R28 IonicContact OE1-CZ 3.92Å; E22-R28 IonicContact OE1-NH1 2.7Å; E22-R28 PolarHBondContact OE1-NH1 3.27Å; E22-R28 IonicContact OE1-NH2 3.88Å; E22-R28 PolarHBondContact OE1-NH2 2.86Å; E22-R28 IonicContact OE2-CZ 2.8Å; E22-R28 IonicContact OE2-NH1 3.38Å; E22-R28 IonicContact OE2-NH2 2.96Å; E22-R28 PolarHBondContact OE2-NH2 2.86Å
29	L	91.3	Very high	90.1	Very high	49 Å²	49	72.3 Å²	72.3	26%	0.257	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	125.1	178.6	-66.1	170.4	0	0	0	110.8	W17 E19	W17-L29 HydrophobicContact CB-CD2 4.2Å; W17-L29 HydrophobicContact CD2-CB 4.37Å; W17-L29 HydrophobicContact CE3-CB 3.7Å; W17-L29 HydrophobicContact CZ3-CB 4.29Å; E19-L29 HydrophobicContact CB-CD2 4.27Å; E19-L29 HydrophobicContact CG-CD2 4.45Å
30	Q	93.8	Very high	90.2	Very high	1 Å²	1	77.7 Å²	77.7	1%	0.005	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.2	173.3	-65.5	174.4	-25.7	0	0	109.3	W17 R18 W20 V32 R64 R66	W17-Q30 CarbonylContact C-O 3.58Å; W17-Q30 WeakPolarHBondContact CA-O 3.46Å; R18-Q30 HydrophobicContact CB-CB 4.32Å; R18-Q30 PolarHBondContact N-O 2.78Å; R18-Q30 VanDerWaalsContact NH1-OE1 3.1Å; R18-Q30 PolarHBondContact O-N 3.02Å; W20-Q30 HydrophobicContact CB-CG 4.21Å; Q30-V32 PolarHBondContact O-N 3.01Å; Q30-R64 PolarHBondContact NE2-O 3.37Å; Q30-R66 WeakPolarHBondContact CA-O 3.48Å
31	F	93.5	Very high	90.4	Very high	42 Å²	42	76.6 Å²	76.6	18%	0.184	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	125.1	173.3	168.6	-120.7	0	0	0	109.5	I15 W17 V33 R66 F67 Y68	I15-F31 HydrophobicContact CG2-CD2 3.45Å; I15-F31 VanDerWaalsContact CG2-CD2 3.45Å; I15-F31 HydrophobicContact CG2-CE2 3.41Å; I15-F31 VanDerWaalsContact CG2-CE2 3.41Å; W17-F31 HydrophobicContact CE3-CB 4.05Å; W17-F31 HydrophobicContact CH2-CB 4.09Å; W17-F31 HydrophobicContact CZ3-CB 3.75Å; F31-V33 HydrophobicContact CD1-CG2 3.86Å; F31-V33 HydrophobicContact CE1-CB 4.45Å; F31-V33 HydrophobicContact CE1-CG2 4.13Å; F31-V33 PolarHBondContact O-N 2.77Å; F31-R66 PolarHBondContact N-O 2.77Å; F31-F67 HydrophobicContact CB-CD1 4.05Å; F31-F67 HydrophobicContact CB-CE1 4.47Å; F31-F67 AromaticContact CD1-CD1 3.9Å; F31-F67 HydrophobicContact CD1-CD1 3.9Å; F31-F67 HydrophobicContact CD1-CE1 4.12Å; F31-F67 HydrophobicContact CG-CD1 4.49Å; F31-F67 WeakPolarHBondContact O-CA 3.34Å; F31-Y68 PolarHBondContact O-N 3.21Å
32	V	93.8	Very high	90.7	Very high	17 Å²	17	72.1 Å²	72.1	10%	0.103	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	106.6	177.9	-176.4	0	0	0	0	108.7	L2 L9 L16 R18 Q30 P34 Y68	L2-V32 HydrophobicContact CD2-CG1 4.27Å; L9-V32 HydrophobicContact CD2-CG2 4.04Å; L16-V32 HydrophobicContact CB-CB 4.22Å; L16-V32 HydrophobicContact CD2-CB 4Å; L16-V32 HydrophobicContact CD2-CG1 3.91Å; L16-V32 HydrophobicContact CD2-CG2 4.2Å; L16-V32 HydrophobicContact CG-CB 3.98Å; L16-V32 HydrophobicContact CG-CG1 4.44Å; L16-V32 HydrophobicContact CG-CG2 3.92Å; L16-V32 WeakPolarHBondContact O-CB 3.46Å; L16-V32 PolarHBondContact O-N 3.02Å; R18-V32 HydrophobicContact CB-CG2 4.01Å; Q30-V32 PolarHBondContact O-N 3.01Å; V32-P34 WeakPolarHBondContact O-CD 3.49Å; V32-Y68 CarbonylContact C-O 3.54Å; V32-Y68 VanDerWaalsContact CA-O 3.3Å; V32-Y68 WeakPolarHBondContact CA-O 3.4Å; V32-Y68 HydrophobicContact CG2-CD1 4.37Å
33	V	93.7	Very high	91.1	Very high	7 Å²	7	75.9 Å²	75.9	4%	0.042	40%	0.399	C	S	.	.			trans	-78.9	125.6	-168.1	-174.2	0	0	0	0	110.6	F31 M37 V38 L41 F67 Y68 W69	F31-V33 HydrophobicContact CD1-CG2 3.86Å; F31-V33 HydrophobicContact CE1-CB 4.45Å; F31-V33 HydrophobicContact CE1-CG2 4.13Å; F31-V33 PolarHBondContact O-N 2.77Å; V33-M37 HydrophobicContact CG1-CB 3.94Å; V33-V38 HydrophobicContact CB-CG2 4.48Å; V33-V38 HydrophobicContact CG1-CG2 3.92Å; V33-L41 HydrophobicContact CG1-CD1 4.24Å; V33-L41 HydrophobicContact CG2-CD1 3.82Å; V33-F67 HydrophobicContact CG2-CB 3.87Å; V33-F67 HydrophobicContact CG2-CD1 4.02Å; V33-F67 HydrophobicContact CG2-CG 4.25Å; V33-Y68 PolarHBondContact N-O 2.89Å; V33-W69 HydrophobicContact CB-CB 4.48Å; V33-W69 HydrophobicContact CB-CD2 4.46Å; V33-W69 HydrophobicContact CB-CE3 3.84Å; V33-W69 HydrophobicContact CG2-CE3 3.66Å; V33-W69 HydrophobicContact CG2-CZ3 4.03Å
34	P	92.5	Very high	91.5	Very high	61 Å²	61	73.7 Å²	73.7	40%	0.396	38%	0.381	S	S	.	.			trans	-61.3	141.3	170	-22.3	33.2	0	0	0	111.2	V32 Q36 M37 V38	V32-P34 WeakPolarHBondContact O-CD 3.49Å; P34-Q36 PolarHBondContact O-N 3.28Å; P34-M37 HydrophobicContact CG-SD 4.22Å; P34-M37 PolarHBondContact O-N 2.95Å; P34-V38 PolarHBondContact O-N 3.25Å
35	K	91.7	Very high	91.8	Very high	197 Å²	197	68.6 Å²	68.6	86%	0.857	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-49.7	-38.2	-177.7	-73.3	-175.2	177.5	178.3	0	113.4	M37 V38	K35-M37 VanDerWaalsContact C-N 3.29Å; K35-M37 PolarHBondContact O-N 3.17Å; K35-V38 PolarHBondContact O-N 3.28Å
36	Q	93.5	Very high	92.3	Very high	187 Å²	187	65.7 Å²	65.7	87%	0.874	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-64.6	-29.6	-179.5	-61.6	174.1	-3.7	0	0	113.2	P34	P34-Q36 PolarHBondContact O-N 3.28Å
37	M	93.4	Very high	92.3	Very high	92 Å²	92	65.2 Å²	65.2	45%	0.453	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-89.5	-15.1	-177.4	-67.7	-176.8	69.9	0	0	113.6	V33 P34 K35 N39 K40 L41	V33-M37 HydrophobicContact CG1-CB 3.94Å; P34-M37 HydrophobicContact CG-SD 4.22Å; P34-M37 PolarHBondContact O-N 2.95Å; K35-M37 VanDerWaalsContact C-N 3.29Å; K35-M37 PolarHBondContact O-N 3.17Å; M37-N39 VanDerWaalsContact C-N 3.32Å; M37-N39 PolarHBondContact O-N 2.71Å; M37-K40 PolarHBondContact O-N 3.01Å; M37-K40 VanDerWaalsContact O-N 3.09Å; M37-L41 PolarHBondContact O-N 2.86Å
38	V	94.3	Very high	92.3	Very high	12 Å²	12	63.3 Å²	63.3	7%	0.073	31%	0.309	C	S	.	.	H	α-helix	trans	-53.3	-47.3	-175.3	172.8	0	0	0	0	111.5	V33 P34 K35 K40 L41 L42 W69	V33-V38 HydrophobicContact CB-CG2 4.48Å; V33-V38 HydrophobicContact CG1-CG2 3.92Å; P34-V38 PolarHBondContact O-N 3.25Å; K35-V38 PolarHBondContact O-N 3.28Å; V38-K40 PolarHBondContact O-N 3.41Å; V38-L41 PolarHBondContact O-N 2.88Å; V38-L42 HydrophobicContact CG1-CD1 3.73Å; V38-L42 HydrophobicContact CG1-CG 4.18Å; V38-L42 VanDerWaalsContact O-CG 3.25Å; V38-L42 WeakPolarHBondContact O-CG 3.49Å; V38-L42 PolarHBondContact O-N 3.19Å; V38-W69 HydrophobicContact CG1-CD2 4.45Å; V38-W69 HydrophobicContact CG1-CZ2 3.72Å; V38-W69 HydrophobicContact CG2-CD2 4.05Å; V38-W69 HydrophobicContact CG2-CG 4.05Å
39	N	92.3	Very high	92.3	Very high	117 Å²	117	66.7 Å²	66.7	63%	0.626	34%	0.339	S	S	*	.	H	α-helix	trans	-62.8	-40.3	179.9	-81.7	-34.8	0	0	0	113.4	M37 L41 R43	M37-N39 VanDerWaalsContact C-N 3.32Å; M37-N39 PolarHBondContact O-N 2.71Å; N39-L41 VanDerWaalsContact C-N 3.33Å; N39-R43 WeakPolarHBondContact O-CB 3.29Å; N39-R43 PolarHBondContact O-N 3.47Å
40	K	92.2	Very high	92.2	Very high	149 Å²	149	69.9 Å²	69.9	65%	0.648	36%	0.361	S	S	*	.	H	α-helix	trans	-65.2	-41.6	177.7	-171	177	-178.3	179.8	0	110.3	M37 V38 R43 L44	M37-K40 PolarHBondContact O-N 3.01Å; M37-K40 VanDerWaalsContact O-N 3.09Å; V38-K40 PolarHBondContact O-N 3.41Å; K40-R43 WeakPolarHBondContact O-CB 3.46Å; K40-R43 PolarHBondContact O-N 2.84Å; K40-L44 WeakPolarHBondContact O-CG 3.44Å; K40-L44 PolarHBondContact O-N 3.17Å
41	L	93.4	Very high	91.9	Very high	15 Å²	15	70.1 Å²	70.1	8%	0.079	36%	0.363	C	S	.	.	H	α-helix	trans	-67	-45	178.1	-170.6	142.7	0	0	0	112.3	V33 M37 V38 N39 R43 L44 C45 V63 F67 W69	V33-L41 HydrophobicContact CG1-CD1 4.24Å; V33-L41 HydrophobicContact CG2-CD1 3.82Å; M37-L41 PolarHBondContact O-N 2.86Å; V38-L41 PolarHBondContact O-N 2.88Å; N39-L41 VanDerWaalsContact C-N 3.33Å; L41-R43 VanDerWaalsContact C-N 3.26Å; L41-R43 PolarHBondContact O-N 3.13Å; L41-L44 PolarHBondContact O-N 2.96Å; L41-L44 VanDerWaalsContact O-N 3.13Å; L41-C45 WeakPolarHBondContact O-CB 3.25Å; L41-C45 PolarHBondContact O-N 3.34Å; L41-C45 PolarHBondContact O-SG 3.33Å; L41-C45 VanDerWaalsContact O-SG 3.39Å; L41-V63 HydrophobicContact CD2-CG2 4.48Å; L41-F67 HydrophobicContact CD1-CB 4.37Å; L41-F67 HydrophobicContact CD1-CD1 3.54Å; L41-F67 HydrophobicContact CD1-CD2 3.77Å; L41-F67 HydrophobicContact CD1-CE1 3.6Å; L41-F67 HydrophobicContact CD1-CE2 3.81Å; L41-F67 HydrophobicContact CD1-CG 3.62Å; L41-F67 HydrophobicContact CD1-CZ 3.73Å; L41-F67 HydrophobicContact CD2-CD2 3.81Å; L41-F67 HydrophobicContact CD2-CE2 4.2Å; L41-F67 HydrophobicContact CD2-CG 4.18Å; L41-F67 HydrophobicContact CG-CD2 4.12Å; L41-F67 HydrophobicContact CG-CE2 4.09Å; L41-F67 HydrophobicContact CG-CG 4.41Å; L41-F67 HydrophobicContact CG-CZ 4.38Å; L41-W69 HydrophobicContact CD2-CH2 3.79Å; L41-W69 HydrophobicContact CD2-CZ3 3.76Å
42	L	94.1	Very high	91.7	Very high	4 Å²	4	70.1 Å²	70.1	2%	0.021	38%	0.375	C	S	.	.	H	α-helix	trans	-60.2	-37.2	174.3	-67.2	170.3	0	0	0	111.6	V38 H46 M59 W69 D75 V76 Y79	V38-L42 HydrophobicContact CG1-CD1 3.73Å; V38-L42 HydrophobicContact CG1-CG 4.18Å; V38-L42 VanDerWaalsContact O-CG 3.25Å; V38-L42 WeakPolarHBondContact O-CG 3.49Å; V38-L42 PolarHBondContact O-N 3.19Å; L42-H46 VanDerWaalsContact O-CB 3.31Å; L42-H46 WeakPolarHBondContact O-CB 3.41Å; L42-H46 PolarHBondContact O-N 3.03Å; L42-M59 HydrophobicContact CB-CE 4.05Å; L42-M59 HydrophobicContact CD2-CE 3.35Å; L42-M59 HydrophobicContact CG-CE 4.31Å; L42-W69 HydrophobicContact CD2-CH2 4.1Å; L42-W69 HydrophobicContact CD2-CZ2 4.01Å; L42-W69 HydrophobicContact CG-CZ2 4.42Å; L42-D75 HydrophobicContact CD1-CB 4.31Å; L42-V76 HydrophobicContact CD2-CG2 3.8Å; L42-Y79 HydrophobicContact CB-CD1 4.21Å; L42-Y79 HydrophobicContact CB-CD2 3.43Å; L42-Y79 VanDerWaalsContact CB-CD2 3.43Å; L42-Y79 HydrophobicContact CB-CE1 4.24Å; L42-Y79 HydrophobicContact CB-CE2 3.42Å; L42-Y79 VanDerWaalsContact CB-CE2 3.42Å; L42-Y79 HydrophobicContact CB-CG 3.85Å; L42-Y79 HydrophobicContact CD1-CD2 3.65Å; L42-Y79 HydrophobicContact CD1-CE2 4.34Å; L42-Y79 HydrophobicContact CD1-CG 4.14Å; L42-Y79 HydrophobicContact CG-CD2 4.11Å; L42-Y79 HydrophobicContact CG-CG 4.41Å; L42-Y79 WeakPolarHBondContact O-CE1 3.4Å
43	R	91.8	Very high	91.6	Very high	128 Å²	128	72.1 Å²	72.1	48%	0.483	38%	0.383	S	S	.	.	H	α-helix	trans	-62	-45.4	173.3	-166.2	-175	-73.4	-147.3	0.5	111.6	N39 K40 L41 S47 A48 Y79 E389	N39-R43 WeakPolarHBondContact O-CB 3.29Å; N39-R43 PolarHBondContact O-N 3.47Å; K40-R43 WeakPolarHBondContact O-CB 3.46Å; K40-R43 PolarHBondContact O-N 2.84Å; L41-R43 VanDerWaalsContact C-N 3.26Å; L41-R43 PolarHBondContact O-N 3.13Å; R43-S47 WeakPolarHBondContact O-CA 3.44Å; R43-S47 WeakPolarHBondContact O-CB 3.46Å; R43-S47 PolarHBondContact O-N 2.88Å; R43-A48 PolarHBondContact O-N 2.68Å; R43-Y79 WeakPolarHBondContact CA-OH 3.46Å; R43-Y79 PolarHBondContact N-OH 3.39Å; R43-E389 IonicContact CZ-OE1 3.59Å; R43-E389 IonicContact CZ-OE2 3.5Å; R43-E389 IonicContact NH1-OE1 2.72Å; R43-E389 IonicContact NH1-OE2 3.38Å; R43-E389 PolarHBondContact NH1-OE2 3.42Å; R43-E389 IonicContact NH2-OE1 3.52Å; R43-E389 PolarHBondContact NH2-OE1 3.22Å; R43-E389 IonicContact NH2-OE2 2.72Å
44	L	91.8	Very high	91.4	Very high	106 Å²	106	77.4 Å²	77.4	56%	0.555	41%	0.41	S	S	*	.	H	α-helix	trans	-65.7	-44.8	176.9	-71.9	167.4	0	0	0	112.6	K40 L41 H46 A48 A51	K40-L44 WeakPolarHBondContact O-CG 3.44Å; K40-L44 PolarHBondContact O-N 3.17Å; L41-L44 PolarHBondContact O-N 2.96Å; L41-L44 VanDerWaalsContact O-N 3.13Å; L44-H46 PolarHBondContact O-N 3.04Å; L44-A48 VanDerWaalsContact O-CB 3.26Å; L44-A48 WeakPolarHBondContact O-CB 3.48Å; L44-A51 WeakPolarHBondContact O-CB 3.44Å
45	C	92.6	Very high	91.3	Very high	13 Å²	13	75.9 Å²	75.9	9%	0.088	41%	0.406	C	S	.	.	H	α-helix	trans	-75.5	-6.7	-176.6	-67.2	0	0	0	0	114.5	L41 A51 M59 V63	L41-C45 WeakPolarHBondContact O-CB 3.25Å; L41-C45 PolarHBondContact O-N 3.34Å; L41-C45 PolarHBondContact O-SG 3.33Å; L41-C45 VanDerWaalsContact O-SG 3.39Å; C45-A51 VanDerWaalsContact C-CB 3.41Å; C45-A51 WeakPolarHBondContact O-CB 3.31Å; C45-M59 HydrophobicContact CB-CE 4.4Å; C45-V63 HydrophobicContact CB-CG2 4.43Å
46	H	93.6	Very high	91.2	Very high	3 Å²	3	70.4 Å²	70.4	1%	0.014	38%	0.383	C	S	.	.	H	α-helix	trans	-133.4	-51.1	-176.4	-175.4	71.8	0	0	0	114.3	L42 L44 H53 M59 Y79 C86	L42-H46 VanDerWaalsContact O-CB 3.31Å; L42-H46 WeakPolarHBondContact O-CB 3.41Å; L42-H46 PolarHBondContact O-N 3.03Å; L44-H46 PolarHBondContact O-N 3.04Å; H46-H53 AromaticContact CD2-CE1 3.8Å; H46-H53 AromaticContact CD2-ND1 3.37Å; H46-H53 PolarHBondContact CD2-ND1 2.81Å; H46-H53 AromaticContact CE1-ND1 3.55Å; H46-H53 AromaticContact NE2-CE1 3.74Å; H46-H53 AromaticContact NE2-CG 3.92Å; H46-H53 AromaticContact NE2-ND1 2.93Å; H46-H53 PolarHBondContact NE2-ND1 3.41Å; H46-H53 PolarHBondContact O-N 3.41Å; H46-M59 HydrophobicContact CB-CE 3.75Å; H46-M59 HydrophobicContact CB-SD 3.75Å; H46-Y79 HydrophobicContact CB-CD1 4.14Å; H46-Y79 HydrophobicContact CB-CE1 3.73Å; H46-Y79 AromaticContact CD2-CD1 3.99Å; H46-Y79 AromaticContact CD2-CE1 3.65Å; H46-Y79 AromaticContact CG-CE1 3.93Å; H46-C86 PolarHBondContact CE1-SG 3.15Å; H46-C86 PolarHBondContact NE2-SG 3.15Å
47	S	89.2	Confident	91.2	Very high	46 Å²	46	69.1 Å²	69.1	32%	0.322	38%	0.377	S	S	.	.	H	α-helix	trans	-89.6	-13.6	-170.7	-54.3	0	0	0	0	113.4	R43 Y79	R43-S47 WeakPolarHBondContact O-CA 3.44Å; R43-S47 WeakPolarHBondContact O-CB 3.46Å; R43-S47 PolarHBondContact O-N 2.88Å; S47-Y79 PolarHBondContact OG-OH 2.76Å
48	A	88.1	Confident	91.2	Very high	21 Å²	21	71.3 Å²	71.3	17%	0.174	38%	0.384	C	S	.	.	S	Bend	trans	-67.3	147.5	174.4	0	0	0	0	0	110.9	R43 L44 T50 A51 G52	R43-A48 PolarHBondContact O-N 2.68Å; L44-A48 VanDerWaalsContact O-CB 3.26Å; L44-A48 WeakPolarHBondContact O-CB 3.48Å; A48-T50 PolarHBondContact O-N 3.47Å; A48-A51 HydrophobicContact CB-CB 4.34Å; A48-A51 WeakPolarHBondContact O-CA 3.45Å; A48-A51 WeakPolarHBondContact O-CB 3.45Å; A48-A51 PolarHBondContact O-N 3.14Å; A48-G52 PolarHBondContact O-N 2.83Å; A48-G52 VanDerWaalsContact O-N 3.09Å
49	P	87.6	Confident	91.2	Very high	134 Å²	134	70.9 Å²	70.9	87%	0.87	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-33.6	173.2	-26.8	35.4	0	0	0	113.3	A51	P49-A51 PolarHBondContact O-N 2.86Å
50	T	88.8	Confident	91.3	Very high	116 Å²	116	66.9 Å²	66.9	71%	0.712	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-7.6	175.6	54.9	0	0	0	0	114.2	A48 R62	A48-T50 PolarHBondContact O-N 3.47Å; T50-R62 PolarHBondContact O-NH1 2.98Å; T50-R62 PolarHBondContact O-NH2 3.14Å
51	A	88.5	Confident	91.3	Very high	5 Å²	5	67.1 Å²	67.1	4%	0.041	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-29.9	177.5	0	0	0	0	0	113.5	L44 C45 A48 P49 H53 L54	L44-A51 WeakPolarHBondContact O-CB 3.44Å; C45-A51 VanDerWaalsContact C-CB 3.41Å; C45-A51 WeakPolarHBondContact O-CB 3.31Å; A48-A51 HydrophobicContact CB-CB 4.34Å; A48-A51 WeakPolarHBondContact O-CA 3.45Å; A48-A51 WeakPolarHBondContact O-CB 3.45Å; A48-A51 PolarHBondContact O-N 3.14Å; P49-A51 PolarHBondContact O-N 2.86Å; A51-H53 VanDerWaalsContact C-N 3.29Å; A51-H53 PolarHBondContact O-N 3.38Å; A51-H53 VanDerWaalsContact O-N 3.13Å; A51-L54 WeakPolarHBondContact O-CG 3.26Å
52	G	89.1	Confident	91.3	Very high	43 Å²	43	70 Å²	70	44%	0.443	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	18.9	163.5	0	0	0	0	0	116.7	A48 L54	A48-G52 PolarHBondContact O-N 2.83Å; A48-G52 VanDerWaalsContact O-N 3.09Å; G52-L54 VanDerWaalsContact C-N 3.27Å; G52-L54 PolarHBondContact O-N 2.61Å
53	H	92.1	Very high	91.3	Very high	58 Å²	58	69.9 Å²	69.9	27%	0.269	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	34.7	178.2	-65.4	-87.3	0	0	0	115.3	H46 A51 G55 C83 C86	H46-H53 AromaticContact CD2-CE1 3.8Å; H46-H53 AromaticContact CD2-ND1 3.37Å; H46-H53 PolarHBondContact CD2-ND1 2.81Å; H46-H53 AromaticContact CE1-ND1 3.55Å; H46-H53 AromaticContact NE2-CE1 3.74Å; H46-H53 AromaticContact NE2-CG 3.92Å; H46-H53 AromaticContact NE2-ND1 2.93Å; H46-H53 PolarHBondContact NE2-ND1 3.41Å; H46-H53 PolarHBondContact O-N 3.41Å; A51-H53 VanDerWaalsContact C-N 3.29Å; A51-H53 PolarHBondContact O-N 3.38Å; A51-H53 VanDerWaalsContact O-N 3.13Å; H53-G55 PolarHBondContact O-N 3.04Å; H53-C83 VanDerWaalsContact CE1-SG 3.58Å; H53-C86 PolarHBondContact ND1-SG 2.86Å; H53-C86 VanDerWaalsContact ND1-SG 3.36Å
54	L	89.9	Confident	91.2	Very high	119 Å²	119	67.4 Å²	67.4	62%	0.623	36%	0.356	S	S	*	.			trans	-68	19.9	-169.9	-62.6	173.6	0	0	0	117	A51 G52 K58	A51-L54 WeakPolarHBondContact O-CG 3.26Å; G52-L54 VanDerWaalsContact C-N 3.27Å; G52-L54 PolarHBondContact O-N 2.61Å; L54-K58 HydrophobicContact CB-CB 3.87Å; L54-K58 HydrophobicContact CB-CG 4.17Å; L54-K58 WeakPolarHBondContact O-CB 3.24Å; L54-K58 WeakPolarHBondContact O-CG 3.26Å
55	G	88.6	Confident	91.2	Very high	29 Å²	29	65.1 Å²	65.1	30%	0.299	34%	0.343	S	S	.	.	H	α-helix	trans	80.2	-178	177.3	0	0	0	0	0	114.9	H53 M59 I80	H53-G55 PolarHBondContact O-N 3.04Å; G55-M59 WeakPolarHBondContact O-CB 3.5Å; G55-M59 PolarHBondContact O-N 2.85Å; G55-I80 WeakPolarHBondContact O-CD1 3.38Å
56	Q	91.2	Very high	91.2	Very high	82 Å²	82	69.8 Å²	69.8	38%	0.383	36%	0.359	S	S	.	.	H	α-helix	trans	-71.1	-49.2	-166.3	-172.7	-173.1	-59.8	0	0	114	K58 M59 L60 K77 I80	Q56-K58 PolarHBondContact O-N 3.32Å; Q56-M59 PolarHBondContact O-N 2.62Å; Q56-L60 HydrophobicContact CG-CD1 4.07Å; Q56-L60 HydrophobicContact CG-CG 4.44Å; Q56-L60 WeakPolarHBondContact O-CB 3.45Å; Q56-L60 WeakPolarHBondContact O-CG 3.23Å; Q56-L60 PolarHBondContact O-N 2.93Å; Q56-K77 HydrophobicContact CG-CG 4.14Å; Q56-K77 VanDerWaalsContact NE2-CE 3.3Å; Q56-I80 HydrophobicContact CB-CD1 4.03Å; Q56-I80 HydrophobicContact CG-CD1 4.44Å
57	E	92.7	Very high	91.2	Very high	160 Å²	160	71.8 Å²	71.8	75%	0.748	37%	0.367	S	S	*	.	H	α-helix	trans	-63.9	-43.1	-176.6	-66.2	176.3	174.1	0	0	111.6	M59 L60 W61	E57-M59 VanDerWaalsContact C-N 3.35Å; E57-M59 PolarHBondContact O-N 2.95Å; E57-L60 PolarHBondContact O-N 2.87Å; E57-W61 WeakPolarHBondContact O-CB 3.5Å; E57-W61 PolarHBondContact O-N 2.81Å
58	K	93.6	Very high	91.5	Very high	137 Å²	137	70.5 Å²	70.5	60%	0.596	36%	0.356	S	S	*	.	H	α-helix	trans	-65.3	-38	176.9	-59.7	-59.8	-175.8	-177.6	0	112	L54 Q56 R62	L54-K58 HydrophobicContact CB-CB 3.87Å; L54-K58 HydrophobicContact CB-CG 4.17Å; L54-K58 WeakPolarHBondContact O-CB 3.24Å; L54-K58 WeakPolarHBondContact O-CG 3.26Å; Q56-K58 PolarHBondContact O-N 3.32Å; K58-R62 VanDerWaalsContact O-CB 3.31Å; K58-R62 WeakPolarHBondContact O-CB 3.18Å; K58-R62 PolarHBondContact O-N 2.73Å
59	M	93.8	Very high	91.8	Very high	4 Å²	4	69.9 Å²	69.9	2%	0.02	35%	0.349	C	S	.	.	H	α-helix	trans	-68	-41.6	174.5	-171.3	173.6	-178.7	0	0	111.9	L42 C45 H46 G55 Q56 E57 W61 R62 V63 V76 Y79 I80	L42-M59 HydrophobicContact CB-CE 4.05Å; L42-M59 HydrophobicContact CD2-CE 3.35Å; L42-M59 HydrophobicContact CG-CE 4.31Å; C45-M59 HydrophobicContact CB-CE 4.4Å; H46-M59 HydrophobicContact CB-CE 3.75Å; H46-M59 HydrophobicContact CB-SD 3.75Å; G55-M59 WeakPolarHBondContact O-CB 3.5Å; G55-M59 PolarHBondContact O-N 2.85Å; Q56-M59 PolarHBondContact O-N 2.62Å; E57-M59 VanDerWaalsContact C-N 3.35Å; E57-M59 PolarHBondContact O-N 2.95Å; M59-W61 VanDerWaalsContact C-N 3.34Å; M59-R62 PolarHBondContact O-N 3.46Å; M59-V63 HydrophobicContact CG-CG2 4.48Å; M59-V63 WeakPolarHBondContact O-CB 3.43Å; M59-V63 VanDerWaalsContact O-CG2 3.31Å; M59-V63 WeakPolarHBondContact O-CG2 3.31Å; M59-V63 PolarHBondContact O-N 2.7Å; M59-V76 HydrophobicContact CB-CG1 3.91Å; M59-V76 HydrophobicContact CE-CG2 4.28Å; M59-V76 HydrophobicContact CG-CG1 3.69Å; M59-V76 HydrophobicContact CG-CG2 4.35Å; M59-V76 HydrophobicContact SD-CG1 3.8Å; M59-Y79 HydrophobicContact CE-CD1 3.89Å; M59-Y79 HydrophobicContact CE-CE1 4.45Å; M59-Y79 HydrophobicContact CE-CG 4.38Å; M59-Y79 HydrophobicContact SD-CD1 4.39Å; M59-I80 HydrophobicContact CB-CD1 3.77Å; M59-I80 HydrophobicContact CG-CD1 4.23Å; M59-I80 HydrophobicContact SD-CD1 3.49Å; M59-I80 WeakPolarHBondContact SD-CD1 3.11Å; M59-I80 HydrophobicContact SD-CG1 3.55Å; M59-I80 VanDerWaalsContact SD-CG1 3.55Å
60	L	94.6	Very high	91.9	Very high	33 Å²	33	66 Å²	66	17%	0.173	32%	0.323	C	S	.	.	H	α-helix	trans	-61.1	-44	175.4	-76.2	172.6	0	0	0	111.6	Q56 E57 R64 Y72 R73 V76	Q56-L60 HydrophobicContact CG-CD1 4.07Å; Q56-L60 HydrophobicContact CG-CG 4.44Å; Q56-L60 WeakPolarHBondContact O-CB 3.45Å; Q56-L60 WeakPolarHBondContact O-CG 3.23Å; Q56-L60 PolarHBondContact O-N 2.93Å; E57-L60 PolarHBondContact O-N 2.87Å; L60-R64 WeakPolarHBondContact O-CB 3.19Å; L60-R64 PolarHBondContact O-N 3.3Å; L60-Y72 HydrophobicContact CD2-CD2 4.49Å; L60-Y72 HydrophobicContact CD2-CE2 4.17Å; L60-R73 HydrophobicContact CD2-CB 4.08Å; L60-R73 HydrophobicContact CD2-CG 4.03Å; L60-V76 HydrophobicContact CD2-CB 3.82Å; L60-V76 HydrophobicContact CD2-CG1 3.71Å; L60-V76 HydrophobicContact CD2-CG2 4.25Å; L60-V76 HydrophobicContact CG-CB 4.48Å; L60-V76 HydrophobicContact CG-CG1 3.81Å
61	W	92.6	Very high	92.1	Very high	154 Å²	154	62.1 Å²	62.1	58%	0.583	31%	0.307	S	S	*	.	H	α-helix	trans	-60.3	-51.3	175.1	-179.8	87.1	0	0	0	110.9	E57 M59 V63 R64 E65	E57-W61 WeakPolarHBondContact O-CB 3.5Å; E57-W61 PolarHBondContact O-N 2.81Å; M59-W61 VanDerWaalsContact C-N 3.34Å; W61-V63 VanDerWaalsContact C-N 3.32Å; W61-V63 PolarHBondContact O-N 3.4Å; W61-R64 PolarHBondContact O-N 3.31Å; W61-E65 WeakPolarHBondContact CH2-OE2 3.31Å; W61-E65 VanDerWaalsContact CZ3-OE2 3.31Å; W61-E65 WeakPolarHBondContact CZ3-OE2 3.46Å; W61-E65 WeakPolarHBondContact O-CB 3.4Å; W61-E65 PolarHBondContact O-N 3.4Å
62	R	92.6	Very high	92.3	Very high	76 Å²	76	62.6 Å²	62.6	29%	0.287	31%	0.307	S	S	.	.	H	α-helix	trans	-62.1	-36	-178.8	-168.5	171.9	-171.8	147	-2.2	113.4	T50 K58 M59	T50-R62 PolarHBondContact O-NH1 2.98Å; T50-R62 PolarHBondContact O-NH2 3.14Å; K58-R62 VanDerWaalsContact O-CB 3.31Å; K58-R62 WeakPolarHBondContact O-CB 3.18Å; K58-R62 PolarHBondContact O-N 2.73Å; M59-R62 PolarHBondContact O-N 3.46Å
63	V	93.8	Very high	92.5	Very high	0 Å²	0	67 Å²	67	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-70.1	-51	173.5	170.7	0	0	0	0	110.2	L41 C45 M59 W61 E65 R66 F67 W69 Y72 V76	L41-V63 HydrophobicContact CD2-CG2 4.48Å; C45-V63 HydrophobicContact CB-CG2 4.43Å; M59-V63 HydrophobicContact CG-CG2 4.48Å; M59-V63 WeakPolarHBondContact O-CB 3.43Å; M59-V63 VanDerWaalsContact O-CG2 3.31Å; M59-V63 WeakPolarHBondContact O-CG2 3.31Å; M59-V63 PolarHBondContact O-N 2.7Å; W61-V63 VanDerWaalsContact C-N 3.32Å; W61-V63 PolarHBondContact O-N 3.4Å; V63-E65 PolarHBondContact O-N 3.23Å; V63-E65 VanDerWaalsContact O-N 3.15Å; V63-R66 PolarHBondContact O-N 2.91Å; V63-R66 VanDerWaalsContact O-N 3.15Å; V63-F67 HydrophobicContact CG1-CB 4.23Å; V63-F67 WeakPolarHBondContact O-CA 3.2Å; V63-F67 PolarHBondContact O-N 3.35Å; V63-W69 HydrophobicContact CG1-CH2 3.51Å; V63-W69 HydrophobicContact CG1-CZ3 3.52Å; V63-W69 HydrophobicContact CG2-CH2 4.3Å; V63-Y72 HydrophobicContact CB-CD2 4.4Å; V63-Y72 HydrophobicContact CG1-CD2 3.59Å; V63-Y72 HydrophobicContact CG1-CE2 4.16Å; V63-Y72 HydrophobicContact CG1-CG 4.33Å; V63-V76 HydrophobicContact CG2-CG2 4Å
64	R	91.1	Very high	92.6	Very high	76 Å²	76	68 Å²	68	29%	0.287	32%	0.324	S	S	.	.	H	α-helix	trans	-58.2	-28.5	178.8	176.3	-179.6	167.5	-175.8	-8	112.4	W20 E22 Q30 L60 W61 R66	W20-R64 VanDerWaalsContact CZ2-CZ 3.44Å; E22-R64 IonicContact OE1-NH2 3.92Å; E22-R64 IonicContact OE2-CZ 3.63Å; E22-R64 IonicContact OE2-NH2 3.17Å; E22-R64 PolarHBondContact OE2-NH2 3.15Å; Q30-R64 PolarHBondContact NE2-O 3.37Å; L60-R64 WeakPolarHBondContact O-CB 3.19Å; L60-R64 PolarHBondContact O-N 3.3Å; W61-R64 PolarHBondContact O-N 3.31Å; R64-R66 VanDerWaalsContact C-N 3.3Å; R64-R66 PolarHBondContact O-N 2.99Å
65	E	90.9	Very high	92.8	Very high	58 Å²	58	65 Å²	65	27%	0.271	31%	0.309	S	S	.	.	H	α-helix	trans	-64.4	-34.3	-179.9	-160.7	-171.3	163.9	0	0	112.6	W61 V63	W61-E65 WeakPolarHBondContact CH2-OE2 3.31Å; W61-E65 VanDerWaalsContact CZ3-OE2 3.31Å; W61-E65 WeakPolarHBondContact CZ3-OE2 3.46Å; W61-E65 WeakPolarHBondContact O-CB 3.4Å; W61-E65 PolarHBondContact O-N 3.4Å; V63-E65 PolarHBondContact O-N 3.23Å; V63-E65 VanDerWaalsContact O-N 3.15Å
66	R	92.7	Very high	93.1	Very high	111 Å²	111	63.7 Å²	63.7	42%	0.419	30%	0.295	S	S	.	.	H	α-helix	trans	-131	-18.1	-168.8	-62.3	178.5	-172.1	76.6	12.3	115	Q30 F31 V63 R64	Q30-R66 WeakPolarHBondContact CA-O 3.48Å; F31-R66 PolarHBondContact N-O 2.77Å; V63-R66 PolarHBondContact O-N 2.91Å; V63-R66 VanDerWaalsContact O-N 3.15Å; R64-R66 VanDerWaalsContact C-N 3.3Å; R64-R66 PolarHBondContact O-N 2.99Å
67	F	94.8	Very high	93.2	Very high	45 Å²	45	65 Å²	65	20%	0.197	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.9	-164.8	-54.5	-63.1	0	0	0	112.4	F31 V33 L41 V63 W69	F31-F67 HydrophobicContact CB-CD1 4.05Å; F31-F67 HydrophobicContact CB-CE1 4.47Å; F31-F67 AromaticContact CD1-CD1 3.9Å; F31-F67 HydrophobicContact CD1-CD1 3.9Å; F31-F67 HydrophobicContact CD1-CE1 4.12Å; F31-F67 HydrophobicContact CG-CD1 4.49Å; F31-F67 WeakPolarHBondContact O-CA 3.34Å; V33-F67 HydrophobicContact CG2-CB 3.87Å; V33-F67 HydrophobicContact CG2-CD1 4.02Å; V33-F67 HydrophobicContact CG2-CG 4.25Å; L41-F67 HydrophobicContact CD1-CB 4.37Å; L41-F67 HydrophobicContact CD1-CD1 3.54Å; L41-F67 HydrophobicContact CD1-CD2 3.77Å; L41-F67 HydrophobicContact CD1-CE1 3.6Å; L41-F67 HydrophobicContact CD1-CE2 3.81Å; L41-F67 HydrophobicContact CD1-CG 3.62Å; L41-F67 HydrophobicContact CD1-CZ 3.73Å; L41-F67 HydrophobicContact CD2-CD2 3.81Å; L41-F67 HydrophobicContact CD2-CE2 4.2Å; L41-F67 HydrophobicContact CD2-CG 4.18Å; L41-F67 HydrophobicContact CG-CD2 4.12Å; L41-F67 HydrophobicContact CG-CE2 4.09Å; L41-F67 HydrophobicContact CG-CG 4.41Å; L41-F67 HydrophobicContact CG-CZ 4.38Å; V63-F67 HydrophobicContact CG1-CB 4.23Å; V63-F67 WeakPolarHBondContact O-CA 3.2Å; V63-F67 PolarHBondContact O-N 3.35Å; F67-W69 HydrophobicContact CB-CE3 4.48Å; F67-W69 HydrophobicContact CB-CZ3 3.99Å
68	Y	93.7	Very high	93.3	Very high	19 Å²	19	64.2 Å²	64.2	8%	0.075	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	139.5	173.4	177.2	-107.3	0	0	0	111.6	L2 N5 R18 F31 V32 V33 Y72	L2-Y68 HydrophobicContact CD2-CE1 4.13Å; N5-Y68 PolarHBondContact ND2-OH 3.49Å; R18-Y68 HydrophobicContact CB-CD1 4.32Å; R18-Y68 HydrophobicContact CG-CD1 4.49Å; F31-Y68 PolarHBondContact O-N 3.21Å; V32-Y68 CarbonylContact C-O 3.54Å; V32-Y68 VanDerWaalsContact CA-O 3.3Å; V32-Y68 WeakPolarHBondContact CA-O 3.4Å; V32-Y68 HydrophobicContact CG2-CD1 4.37Å; V33-Y68 PolarHBondContact N-O 2.89Å; Y68-Y72 HydrophobicContact CD2-CD1 4.15Å; Y68-Y72 HydrophobicContact CD2-CE1 4.27Å; Y68-Y72 HydrophobicContact CE2-CD1 4.34Å; Y68-Y72 HydrophobicContact CE2-CE1 4.42Å
69	W	94.3	Very high	93.3	Very high	9 Å²	9	58.2 Å²	58.2	3%	0.034	26%	0.263	C	S	.	.			trans	-152.5	155.2	160.3	60.9	98.2	0	0	0	108.8	V33 V38 L41 L42 V63 F67 G71 Y72 D75	V33-W69 HydrophobicContact CB-CB 4.48Å; V33-W69 HydrophobicContact CB-CD2 4.46Å; V33-W69 HydrophobicContact CB-CE3 3.84Å; V33-W69 HydrophobicContact CG2-CE3 3.66Å; V33-W69 HydrophobicContact CG2-CZ3 4.03Å; V38-W69 HydrophobicContact CG1-CD2 4.45Å; V38-W69 HydrophobicContact CG1-CZ2 3.72Å; V38-W69 HydrophobicContact CG2-CD2 4.05Å; V38-W69 HydrophobicContact CG2-CG 4.05Å; L41-W69 HydrophobicContact CD2-CH2 3.79Å; L41-W69 HydrophobicContact CD2-CZ3 3.76Å; L42-W69 HydrophobicContact CD2-CH2 4.1Å; L42-W69 HydrophobicContact CD2-CZ2 4.01Å; L42-W69 HydrophobicContact CG-CZ2 4.42Å; V63-W69 HydrophobicContact CG1-CH2 3.51Å; V63-W69 HydrophobicContact CG1-CZ3 3.52Å; V63-W69 HydrophobicContact CG2-CH2 4.3Å; F67-W69 HydrophobicContact CB-CE3 4.48Å; F67-W69 HydrophobicContact CB-CZ3 3.99Å; W69-G71 PolarHBondContact O-N 2.97Å; W69-Y72 VanDerWaalsContact CD2-CB 3.49Å; W69-Y72 VanDerWaalsContact CE2-CA 3.48Å; W69-Y72 VanDerWaalsContact NE1-CA 3.31Å; W69-Y72 WeakPolarHBondContact O-CB 3.43Å; W69-Y72 WeakPolarHBondContact O-CD1 3.33Å; W69-Y72 PolarHBondContact O-N 3.45Å; W69-D75 HydrophobicContact CZ2-CB 4.41Å; W69-D75 PolarHBondContact NE1-OD2 3.41Å
70	P	91.4	Very high	93.1	Very high	51 Å²	51	59 Å²	59	33%	0.331	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	128.7	175.7	-26	36.4	0	0	0	111	M1 L2	M1-P70 HydrophobicContact CB-CB 4.22Å; M1-P70 HydrophobicContact SD-CB 4.4Å; L2-P70 HydrophobicContact CD1-CG 4.11Å; L2-P70 HydrophobicContact CD2-CG 4.44Å; L2-P70 HydrophobicContact CG-CG 3.79Å
71	G	91.6	Very high	93	Very high	35 Å²	35	63.5 Å²	63.5	36%	0.361	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	80	7.2	179.3	0	0	0	0	0	115.9	W69 R73 S74 D75	W69-G71 PolarHBondContact O-N 2.97Å; G71-R73 PolarHBondContact O-N 2.96Å; G71-S74 WeakPolarHBondContact O-CB 3.42Å; G71-S74 PolarHBondContact O-N 3.19Å; G71-D75 PolarHBondContact O-N 3.19Å; G71-D75 VanDerWaalsContact O-N 3.15Å
72	Y	93.1	Very high	92.9	Very high	15 Å²	15	56.3 Å²	56.3	6%	0.059	26%	0.255	C	S	.	.	H	α-helix	trans	-51.8	-33.4	-177.2	82.2	-86	0	0	0	114.6	L60 V63 Y68 W69 D75 V76	L60-Y72 HydrophobicContact CD2-CD2 4.49Å; L60-Y72 HydrophobicContact CD2-CE2 4.17Å; V63-Y72 HydrophobicContact CB-CD2 4.4Å; V63-Y72 HydrophobicContact CG1-CD2 3.59Å; V63-Y72 HydrophobicContact CG1-CE2 4.16Å; V63-Y72 HydrophobicContact CG1-CG 4.33Å; Y68-Y72 HydrophobicContact CD2-CD1 4.15Å; Y68-Y72 HydrophobicContact CD2-CE1 4.27Å; Y68-Y72 HydrophobicContact CE2-CD1 4.34Å; Y68-Y72 HydrophobicContact CE2-CE1 4.42Å; W69-Y72 VanDerWaalsContact CD2-CB 3.49Å; W69-Y72 VanDerWaalsContact CE2-CA 3.48Å; W69-Y72 VanDerWaalsContact NE1-CA 3.31Å; W69-Y72 WeakPolarHBondContact O-CB 3.43Å; W69-Y72 WeakPolarHBondContact O-CD1 3.33Å; W69-Y72 PolarHBondContact O-N 3.45Å; Y72-D75 PolarHBondContact O-N 3.03Å; Y72-V76 WeakPolarHBondContact O-CB 3.5Å; Y72-V76 VanDerWaalsContact O-CG2 3.23Å; Y72-V76 WeakPolarHBondContact O-CG2 3.35Å; Y72-V76 PolarHBondContact O-N 3.28Å
73	R	93.8	Very high	92.9	Very high	136 Å²	136	53 Å²	53	51%	0.513	24%	0.244	S	C	.	.	H	α-helix	trans	-62.8	-43.7	177.7	-62	-176.1	177.9	154.7	-5.2	111.8	L60 G71 K77	L60-R73 HydrophobicContact CD2-CB 4.08Å; L60-R73 HydrophobicContact CD2-CG 4.03Å; G71-R73 PolarHBondContact O-N 2.96Å; R73-K77 WeakPolarHBondContact O-CB 3.26Å; R73-K77 VanDerWaalsContact O-CG 3.29Å; R73-K77 WeakPolarHBondContact O-CG 3.39Å; R73-K77 PolarHBondContact O-N 3.2Å
74	S	94.6	Very high	92.7	Very high	78 Å²	78	55.2 Å²	55.2	55%	0.545	25%	0.252	S	S	.	.	H	α-helix	trans	-68.4	-40.8	178.3	-57.6	0	0	0	0	111	G71 K77 R78	G71-S74 WeakPolarHBondContact O-CB 3.42Å; G71-S74 PolarHBondContact O-N 3.19Å; S74-K77 PolarHBondContact O-N 3.44Å; S74-R78 WeakPolarHBondContact O-CB 3.31Å; S74-R78 PolarHBondContact O-N 3.22Å
75	D	94.1	Very high	92.7	Very high	58 Å²	58	53.6 Å²	53.6	31%	0.31	25%	0.248	S	C	.	.	H	α-helix	trans	-64.4	-43.7	176.5	-68.5	-20.5	0	0	0	112	L42 W69 G71 Y72 R78 Y79	L42-D75 HydrophobicContact CD1-CB 4.31Å; W69-D75 HydrophobicContact CZ2-CB 4.41Å; W69-D75 PolarHBondContact NE1-OD2 3.41Å; G71-D75 PolarHBondContact O-N 3.19Å; G71-D75 VanDerWaalsContact O-N 3.15Å; Y72-D75 PolarHBondContact O-N 3.03Å; D75-R78 PolarHBondContact O-N 3.17Å; D75-Y79 WeakPolarHBondContact O-CB 3.44Å; D75-Y79 PolarHBondContact O-N 3Å
76	V	94.6	Very high	92.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-47.5	174.9	166.2	0	0	0	0	111	L42 M59 L60 V63 Y72 R78 Y79 I80	L42-V76 HydrophobicContact CD2-CG2 3.8Å; M59-V76 HydrophobicContact CB-CG1 3.91Å; M59-V76 HydrophobicContact CE-CG2 4.28Å; M59-V76 HydrophobicContact CG-CG1 3.69Å; M59-V76 HydrophobicContact CG-CG2 4.35Å; M59-V76 HydrophobicContact SD-CG1 3.8Å; L60-V76 HydrophobicContact CD2-CB 3.82Å; L60-V76 HydrophobicContact CD2-CG1 3.71Å; L60-V76 HydrophobicContact CD2-CG2 4.25Å; L60-V76 HydrophobicContact CG-CB 4.48Å; L60-V76 HydrophobicContact CG-CG1 3.81Å; V63-V76 HydrophobicContact CG2-CG2 4Å; Y72-V76 WeakPolarHBondContact O-CB 3.5Å; Y72-V76 VanDerWaalsContact O-CG2 3.23Å; Y72-V76 WeakPolarHBondContact O-CG2 3.35Å; Y72-V76 PolarHBondContact O-N 3.28Å; V76-R78 PolarHBondContact O-N 2.9Å; V76-Y79 PolarHBondContact O-N 3.36Å; V76-I80 HydrophobicContact CG1-CD1 4.19Å; V76-I80 PolarHBondContact O-N 3.29Å
77	K	93.5	Very high	92.5	Very high	109 Å²	109	47.8 Å²	47.8	47%	0.474	23%	0.229	S	C	.	.	H	α-helix	trans	-56.6	-50.5	175.5	-77.2	179.6	178.6	-172.1	0	111.2	Q56 R73 S74 Y79 R81	Q56-K77 HydrophobicContact CG-CG 4.14Å; Q56-K77 VanDerWaalsContact NE2-CE 3.3Å; R73-K77 WeakPolarHBondContact O-CB 3.26Å; R73-K77 VanDerWaalsContact O-CG 3.29Å; R73-K77 WeakPolarHBondContact O-CG 3.39Å; R73-K77 PolarHBondContact O-N 3.2Å; S74-K77 PolarHBondContact O-N 3.44Å; K77-Y79 PolarHBondContact O-N 2.84Å; K77-R81 VanDerWaalsContact O-CB 3.26Å; K77-R81 WeakPolarHBondContact O-CB 3.31Å; K77-R81 PolarHBondContact O-N 3.17Å
78	R	93.4	Very high	92.3	Very high	144 Å²	144	45.8 Å²	45.8	54%	0.543	22%	0.22	S	C	.	.	H	α-helix	trans	-62.2	-42.4	178.6	-175.6	178.7	-177.7	-178.9	0.6	111.8	S74 D75 V76 R81 T82 D384	S74-R78 WeakPolarHBondContact O-CB 3.31Å; S74-R78 PolarHBondContact O-N 3.22Å; D75-R78 PolarHBondContact O-N 3.17Å; V76-R78 PolarHBondContact O-N 2.9Å; R78-R81 PolarHBondContact O-N 3.31Å; R78-T82 HydrophobicContact CG-CG2 4.41Å; R78-T82 WeakPolarHBondContact O-CB 3.48Å; R78-T82 VanDerWaalsContact O-CG2 3.31Å; R78-T82 WeakPolarHBondContact O-CG2 3.46Å; R78-T82 PolarHBondContact O-N 2.93Å; R78-T82 PolarHBondContact O-OG1 2.76Å; R78-D384 IonicContact CZ-OD2 3.27Å; R78-D384 IonicContact NE-OD2 2.9Å; R78-D384 PolarHBondContact NE-OD2 2.8Å; R78-D384 IonicContact NH2-OD2 3.78Å; R78-D384 PolarHBondContact NH2-OD2 3.47Å
79	Y	93.2	Very high	91.9	Very high	12 Å²	12	50.7 Å²	50.7	5%	0.047	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-49.3	-179.2	-168	-88.4	0	0	0	110.8	L42 R43 H46 S47 M59 D75 V76 K77 T82 C83 R386	L42-Y79 HydrophobicContact CB-CD1 4.21Å; L42-Y79 HydrophobicContact CB-CD2 3.43Å; L42-Y79 VanDerWaalsContact CB-CD2 3.43Å; L42-Y79 HydrophobicContact CB-CE1 4.24Å; L42-Y79 HydrophobicContact CB-CE2 3.42Å; L42-Y79 VanDerWaalsContact CB-CE2 3.42Å; L42-Y79 HydrophobicContact CB-CG 3.85Å; L42-Y79 HydrophobicContact CD1-CD2 3.65Å; L42-Y79 HydrophobicContact CD1-CE2 4.34Å; L42-Y79 HydrophobicContact CD1-CG 4.14Å; L42-Y79 HydrophobicContact CG-CD2 4.11Å; L42-Y79 HydrophobicContact CG-CG 4.41Å; L42-Y79 WeakPolarHBondContact O-CE1 3.4Å; R43-Y79 WeakPolarHBondContact CA-OH 3.46Å; R43-Y79 PolarHBondContact N-OH 3.39Å; H46-Y79 HydrophobicContact CB-CD1 4.14Å; H46-Y79 HydrophobicContact CB-CE1 3.73Å; H46-Y79 AromaticContact CD2-CD1 3.99Å; H46-Y79 AromaticContact CD2-CE1 3.65Å; H46-Y79 AromaticContact CG-CE1 3.93Å; S47-Y79 PolarHBondContact OG-OH 2.76Å; M59-Y79 HydrophobicContact CE-CD1 3.89Å; M59-Y79 HydrophobicContact CE-CE1 4.45Å; M59-Y79 HydrophobicContact CE-CG 4.38Å; M59-Y79 HydrophobicContact SD-CD1 4.39Å; D75-Y79 WeakPolarHBondContact O-CB 3.44Å; D75-Y79 PolarHBondContact O-N 3Å; V76-Y79 PolarHBondContact O-N 3.36Å; K77-Y79 PolarHBondContact O-N 2.84Å; Y79-T82 PolarHBondContact O-N 2.77Å; Y79-T82 PolarHBondContact O-OG1 3.3Å; Y79-T82 VanDerWaalsContact O-OG1 3.07Å; Y79-C83 PolarHBondContact O-N 2.99Å; Y79-R386 VanDerWaalsContact CE2-CZ 3.41Å; Y79-R386 VanDerWaalsContact CG-NH2 3.3Å; Y79-R386 VanDerWaalsContact CZ-NH2 3.31Å; Y79-R386 PolarHBondContact O-NH2 2.66Å; Y79-R386 PolarHBondContact OH-NH1 2.82Å
80	I	91.5	Very high	90.9	Very high	21 Å²	21	51.4 Å²	51.4	11%	0.108	25%	0.249	C	C	.	.	H	α-helix	trans	-67.3	-44	179.2	-65.4	171.4	0	0	0	111	G55 Q56 M59 V76 T82 C83	G55-I80 WeakPolarHBondContact O-CD1 3.38Å; Q56-I80 HydrophobicContact CB-CD1 4.03Å; Q56-I80 HydrophobicContact CG-CD1 4.44Å; M59-I80 HydrophobicContact CB-CD1 3.77Å; M59-I80 HydrophobicContact CG-CD1 4.23Å; M59-I80 HydrophobicContact SD-CD1 3.49Å; M59-I80 WeakPolarHBondContact SD-CD1 3.11Å; M59-I80 HydrophobicContact SD-CG1 3.55Å; M59-I80 VanDerWaalsContact SD-CG1 3.55Å; V76-I80 HydrophobicContact CG1-CD1 4.19Å; V76-I80 PolarHBondContact O-N 3.29Å; I80-T82 PolarHBondContact O-N 2.92Å; I80-C83 WeakPolarHBondContact O-CB 2.99Å; I80-C83 PolarHBondContact O-N 2.87Å
81	R	90.9	Very high	89.5	Confident	126 Å²	126	53.9 Å²	53.9	48%	0.475	27%	0.267	S	S	.	.	H	α-helix	trans	-54.5	-39	178.1	-175	-178	67.2	96.3	14.4	112	K77 R78 N87 P382 D384	K77-R81 VanDerWaalsContact O-CB 3.26Å; K77-R81 WeakPolarHBondContact O-CB 3.31Å; K77-R81 PolarHBondContact O-N 3.17Å; R78-R81 PolarHBondContact O-N 3.31Å; R81-N87 PolarHBondContact O-ND2 2.84Å; R81-P382 HydrophobicContact CG-CG 4.13Å; R81-P382 WeakPolarHBondContact O-CG 3.27Å; R81-D384 IonicContact CZ-OD1 3.84Å; R81-D384 IonicContact NH1-OD1 2.67Å; R81-D384 IonicContact NH2-OD1 3.79Å; R81-D384 PolarHBondContact NH2-OD1 3.35Å; R81-D384 IonicContact NH2-OD2 3.74Å; R81-D384 PolarHBondContact NH2-OD2 3.43Å
82	T	91.7	Very high	87.9	Confident	4 Å²	4	53.8 Å²	53.8	3%	0.025	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-1.7	-178.8	56.2	0	0	0	0	114.3	R78 Y79 I80 W84 D384 R386	R78-T82 HydrophobicContact CG-CG2 4.41Å; R78-T82 WeakPolarHBondContact O-CB 3.48Å; R78-T82 VanDerWaalsContact O-CG2 3.31Å; R78-T82 WeakPolarHBondContact O-CG2 3.46Å; R78-T82 PolarHBondContact O-N 2.93Å; R78-T82 PolarHBondContact O-OG1 2.76Å; Y79-T82 PolarHBondContact O-N 2.77Å; Y79-T82 PolarHBondContact O-OG1 3.3Å; Y79-T82 VanDerWaalsContact O-OG1 3.07Å; I80-T82 PolarHBondContact O-N 2.92Å; T82-W84 PolarHBondContact O-N 2.66Å; T82-D384 WeakPolarHBondContact CB-O 3.35Å; T82-D384 HydrophobicContact CG2-CB 4.32Å; T82-D384 VanDerWaalsContact CG2-O 3.27Å; T82-D384 WeakPolarHBondContact CG2-O 3.44Å; T82-D384 VanDerWaalsContact CG2-OD1 3.29Å; T82-D384 WeakPolarHBondContact CG2-OD1 3.3Å; T82-D384 WeakPolarHBondContact CG2-OD2 3.45Å; T82-R386 PolarHBondContact O-N 2.82Å; T82-R386 PolarHBondContact OG1-NE 3.15Å
83	C	91.9	Very high	85.9	Confident	6 Å²	6	56.5 Å²	56.5	4%	0.041	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-71.6	120.2	-177	-178.2	0	0	0	0	111.3	H53 Y79 I80 E85 C86 N87	H53-C83 VanDerWaalsContact CE1-SG 3.58Å; Y79-C83 PolarHBondContact O-N 2.99Å; I80-C83 WeakPolarHBondContact O-CB 2.99Å; I80-C83 PolarHBondContact O-N 2.87Å; C83-E85 PolarHBondContact O-N 3.28Å; C83-C86 HydrophobicContact CB-CB 4.09Å; C83-C86 PolarHBondContact O-N 2.94Å; C83-N87 WeakPolarHBondContact O-CB 3.41Å; C83-N87 PolarHBondContact O-N 2.87Å; C83-N87 PolarHBondContact O-ND2 3.09Å
84	W	90.9	Very high	83.9	Confident	47 Å²	47	57 Å²	57	18%	0.178	30%	0.297	C	S	.	.	H	α-helix	trans	-56.8	-45.5	177.1	177.9	-96.8	0	0	0	113.3	T82 N87 T88 F326 G346 I385 R386 F387	T82-W84 PolarHBondContact O-N 2.66Å; W84-N87 PolarHBondContact O-N 3.1Å; W84-T88 HydrophobicContact CD2-CG2 3.84Å; W84-T88 VanDerWaalsContact CE2-CG2 3.45Å; W84-T88 HydrophobicContact CE3-CG2 4.34Å; W84-T88 HydrophobicContact CG-CG2 4.3Å; W84-T88 HydrophobicContact CH2-CG2 4.07Å; W84-T88 HydrophobicContact CZ2-CG2 3.59Å; W84-T88 HydrophobicContact CZ3-CG2 4.44Å; W84-T88 WeakPolarHBondContact O-CB 3.21Å; W84-T88 WeakPolarHBondContact O-CG2 3.31Å; W84-T88 PolarHBondContact O-N 3.05Å; W84-T88 PolarHBondContact O-OG1 2.66Å; W84-F326 HydrophobicContact CE3-CE1 4.22Å; W84-F326 HydrophobicContact CE3-CZ 4.39Å; W84-F326 AromaticContact CH2-CE1 3.98Å; W84-F326 HydrophobicContact CH2-CE1 3.98Å; W84-F326 AromaticContact CZ3-CE1 3.65Å; W84-F326 HydrophobicContact CZ3-CE1 3.65Å; W84-F326 HydrophobicContact CZ3-CZ 4.16Å; W84-G346 VanDerWaalsContact CH2-O 3.31Å; W84-G346 WeakPolarHBondContact CH2-O 3.21Å; W84-I385 HydrophobicContact CE3-CD1 3.59Å; W84-I385 HydrophobicContact CE3-CG1 4.12Å; W84-I385 HydrophobicContact CZ3-CD1 4.03Å; W84-R386 VanDerWaalsContact CB-O 3.24Å; W84-R386 WeakPolarHBondContact CB-O 3.45Å; W84-F387 HydrophobicContact CZ3-CE1 4.42Å
85	E	90.4	Very high	82.3	Confident	42 Å²	42	59.4 Å²	59.4	20%	0.196	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-50	-178.3	-66.9	-59.4	135.8	0	0	112.4	C83 N87 T88 R89 K342 Q388	C83-E85 PolarHBondContact O-N 3.28Å; E85-N87 VanDerWaalsContact C-N 3.34Å; E85-N87 PolarHBondContact O-N 3.18Å; E85-T88 PolarHBondContact O-N 3.27Å; E85-T88 PolarHBondContact O-OG1 2.73Å; E85-R89 VanDerWaalsContact O-CB 3.24Å; E85-R89 WeakPolarHBondContact O-CB 3.35Å; E85-R89 PolarHBondContact O-N 3.28Å; E85-K342 IonicContact OE1-NZ 3.31Å; E85-K342 PolarHBondContact OE1-NZ 3.31Å; E85-K342 WeakPolarHBondContact OE2-CE 3.27Å; E85-K342 IonicContact OE2-NZ 2.77Å; E85-K342 PolarHBondContact OE2-NZ 3.26Å; E85-Q388 PolarHBondContact OE1-NE2 3.36Å
86	C	90.6	Very high	80.9	Confident	30 Å²	30	56.9 Å²	56.9	20%	0.203	29%	0.285	C	S	.	.	H	α-helix	trans	-61.1	-41.6	175.8	-63.8	0	0	0	0	112.2	H46 H53 C83 G90	H46-C86 PolarHBondContact CE1-SG 3.15Å; H46-C86 PolarHBondContact NE2-SG 3.15Å; H53-C86 PolarHBondContact ND1-SG 2.86Å; H53-C86 VanDerWaalsContact ND1-SG 3.36Å; C83-C86 HydrophobicContact CB-CB 4.09Å; C83-C86 PolarHBondContact O-N 2.94Å; C86-G90 VanDerWaalsContact O-CA 3.24Å; C86-G90 WeakPolarHBondContact O-CA 3.26Å; C86-G90 PolarHBondContact O-N 3.18Å
87	N	89.4	Confident	80.2	Confident	17 Å²	17	63.3 Å²	63.3	9%	0.091	31%	0.309	C	S	.	.	H	α-helix	trans	-70	-36.7	-179.7	-82.6	-67.8	0	0	0	113.4	R81 C83 W84 E85 F326 K379	R81-N87 PolarHBondContact O-ND2 2.84Å; C83-N87 WeakPolarHBondContact O-CB 3.41Å; C83-N87 PolarHBondContact O-N 2.87Å; C83-N87 PolarHBondContact O-ND2 3.09Å; W84-N87 PolarHBondContact O-N 3.1Å; E85-N87 VanDerWaalsContact C-N 3.34Å; E85-N87 PolarHBondContact O-N 3.18Å; N87-F326 HydrophobicContact CB-CE2 3.71Å; N87-F326 HydrophobicContact CB-CZ 3.65Å; N87-K379 PolarHBondContact OD1-NZ 3.48Å
88	T	89.1	Confident	79.7	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.012	29%	0.288	C	S	.	.	H	α-helix	trans	-82.5	-30.2	-177.8	54.2	0	0	0	0	113.7	W84 E85 F326 K342 P343 W344	W84-T88 HydrophobicContact CD2-CG2 3.84Å; W84-T88 VanDerWaalsContact CE2-CG2 3.45Å; W84-T88 HydrophobicContact CE3-CG2 4.34Å; W84-T88 HydrophobicContact CG-CG2 4.3Å; W84-T88 HydrophobicContact CH2-CG2 4.07Å; W84-T88 HydrophobicContact CZ2-CG2 3.59Å; W84-T88 HydrophobicContact CZ3-CG2 4.44Å; W84-T88 WeakPolarHBondContact O-CB 3.21Å; W84-T88 WeakPolarHBondContact O-CG2 3.31Å; W84-T88 PolarHBondContact O-N 3.05Å; W84-T88 PolarHBondContact O-OG1 2.66Å; E85-T88 PolarHBondContact O-N 3.27Å; E85-T88 PolarHBondContact O-OG1 2.73Å; T88-F326 HydrophobicContact CG2-CE1 3.93Å; T88-K342 CarbonylContact O-C 3.43Å; T88-K342 WeakPolarHBondContact O-CA 3.36Å; T88-P343 WeakPolarHBondContact O-CD 3.36Å; T88-W344 WeakPolarHBondContact CG2-O 3.47Å; T88-W344 PolarHBondContact O-N 2.98Å
89	R	86.4	Confident	79.2	Confident	122 Å²	122	54.8 Å²	54.8	46%	0.46	28%	0.28	S	S	.	.	H	α-helix	trans	-88.7	-30.7	176	-172.9	61	178.9	96.2	-9.6	113.6	E85 K339 R341 K342	E85-R89 VanDerWaalsContact O-CB 3.24Å; E85-R89 WeakPolarHBondContact O-CB 3.35Å; E85-R89 PolarHBondContact O-N 3.28Å; R89-K339 PolarHBondContact NH2-O 3.43Å; R89-R341 WeakPolarHBondContact CD-O 3.45Å; R89-K342 HydrophobicContact CB-CG 4.48Å
90	G	71.8	Confident	78.7	Confident	24 Å²	24	55.8 Å²	55.8	25%	0.247	29%	0.286	C	S	.	.	S	Bend	trans	-45.5	138.7	-170.1	0	0	0	0	0	112.9	C86 W344	C86-G90 VanDerWaalsContact O-CA 3.24Å; C86-G90 WeakPolarHBondContact O-CA 3.26Å; C86-G90 PolarHBondContact O-N 3.18Å; G90-W344 PolarHBondContact O-NE1 3.49Å
91	S	64	Low	78	Confident	103 Å²	103	58.4 Å²	58.4	72%	0.72	30%	0.297	S	S	*	.			trans	-52.8	141.5	178	-68.7	0	0	0	0	110.3	X93	S91-A93 PolarHBondContact O-N 3.05Å
92	X	57.7	Low	77.1	Confident	34 Å²	34	54.9 Å²	54.9	28%	0.281	29%	0.291	S	S	.	.			trans	-71.8	40.1	171.3	0	0	0	0	0	111.3	H94 K95 F328 W344	A92-H94 CarbonylContact O-C 3.53Å; A92-H94 PolarHBondContact O-N 2.76Å; A92-K95 HydrophobicContact CB-CG 4.4Å; A92-K95 PolarHBondContact O-N 3.33Å; A92-K95 VanDerWaalsContact O-N 3.09Å; A92-F328 HydrophobicContact CB-CE2 4.41Å; A92-W344 HydrophobicContact CB-CZ2 3.99Å
93	X	49.7	Very low	76.2	Confident	72 Å²	72	60.4 Å²	60.4	60%	0.595	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.6	-155.6	0	0	0	0	0	113.8	S91	S91-A93 PolarHBondContact O-N 3.05Å
94	H	53.1	Low	75.4	Confident	146 Å²	146	62.9 Å²	62.9	68%	0.676	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.2	96.4	155.4	-57.9	-75.8	0	0	0	106.3	X92 G96	A92-H94 CarbonylContact O-C 3.53Å; A92-H94 PolarHBondContact O-N 2.76Å; H94-G96 VanDerWaalsContact C-N 3.3Å; H94-G96 PolarHBondContact O-N 2.82Å
95	K	60.2	Low	75	Confident	129 Å²	129	60.8 Å²	60.8	56%	0.561	32%	0.324	S	S	*	.			trans	-51.4	110.1	158.3	-66.1	-179.9	-176.9	178	0	103.8	X92 R97	A92-K95 HydrophobicContact CB-CG 4.4Å; A92-K95 PolarHBondContact O-N 3.33Å; A92-K95 VanDerWaalsContact O-N 3.09Å; K95-R97 VanDerWaalsContact C-N 3.27Å; K95-R97 PolarHBondContact O-N 2.94Å
96	G	66.1	Low	74.6	Confident	4 Å²	4	62.1 Å²	62.1	4%	0.041	34%	0.335	C	S	.	.			trans	-56.7	105	172.6	0	0	0	0	0	105.2	H94 A98 N315 D376	H94-G96 VanDerWaalsContact C-N 3.3Å; H94-G96 PolarHBondContact O-N 2.82Å; G96-A98 PolarHBondContact O-N 3.35Å; G96-N315 CarbonylContact C-O 3.55Å; G96-N315 WeakPolarHBondContact CA-O 3.29Å; G96-D376 WeakPolarHBondContact O-CA 3.48Å
97	R	79.3	Confident	74.4	Confident	135 Å²	135	65.4 Å²	65.4	51%	0.509	34%	0.344	S	S	.	.			trans	-81.7	107.3	178.4	-80.5	-176.6	-175.9	179.4	2	104.2	K95 A314 N315	K95-R97 VanDerWaalsContact C-N 3.27Å; K95-R97 PolarHBondContact O-N 2.94Å; R97-A314 HydrophobicContact CB-CB 4.41Å; R97-A314 WeakPolarHBondContact O-CB 3.32Å; R97-N315 PolarHBondContact N-O 3.1Å; R97-N315 CarbonylContact O-C 3.34Å; R97-N315 PolarHBondContact O-N 3.15Å
98	A	82	Confident	74.4	Confident	5 Å²	5	69 Å²	69	4%	0.041	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-64.8	155.5	176.8	0	0	0	0	0	109.9	G96 Y310 V357 A375 D376	G96-A98 PolarHBondContact O-N 3.35Å; A98-Y310 VanDerWaalsContact O-CE1 3.29Å; A98-Y310 WeakPolarHBondContact O-CE1 3.39Å; A98-V357 HydrophobicContact CB-CB 3.92Å; A98-V357 HydrophobicContact CB-CG1 3.53Å; A98-A375 HydrophobicContact CB-CB 3.98Å; A98-D376 VanDerWaalsContact CB-OD1 3.32Å; A98-D376 WeakPolarHBondContact CB-OD1 3.23Å; A98-D376 PolarHBondContact N-OD1 2.92Å
99	L	84.4	Confident	74.5	Confident	70 Å²	70	70.2 Å²	70.2	37%	0.366	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-61.1	142.8	179	-61.4	172.4	0	0	0	111.1	Q101 D311 A314 P316	L99-Q101 PolarHBondContact O-N 3.02Å; L99-D311 WeakPolarHBondContact CA-OD1 3.38Å; L99-D311 HydrophobicContact CD2-CB 3.96Å; L99-A314 HydrophobicContact CD2-CB 4.04Å; L99-P316 HydrophobicContact CD2-CG 4.35Å; L99-P316 HydrophobicContact CG-CB 4.25Å; L99-P316 HydrophobicContact CG-CG 4.22Å
100	L	82.2	Confident	74.7	Confident	33 Å²	33	66.2 Å²	66.2	17%	0.173	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-63.8	128.7	178.2	-173.2	66.2	0	0	0	110.4	P102 K307 Y310 D311	L100-P102 VanDerWaalsContact O-CD 3.24Å; L100-P102 WeakPolarHBondContact O-CD 2.95Å; L100-K307 HydrophobicContact CB-CG 4.49Å; L100-K307 HydrophobicContact CD2-CB 4.48Å; L100-K307 PolarHBondContact O-NZ 2.95Å; L100-Y310 HydrophobicContact CB-CD1 3.64Å; L100-Y310 HydrophobicContact CB-CE1 4.17Å; L100-Y310 HydrophobicContact CB-CG 3.91Å; L100-Y310 HydrophobicContact CD1-CD2 4.45Å; L100-Y310 HydrophobicContact CD2-CG 4.35Å; L100-Y310 HydrophobicContact CG-CG 4.49Å; L100-D311 PolarHBondContact N-OD1 2.9Å
101	Q	76.6	Confident	75.6	Confident	75 Å²	75	67.4 Å²	67.4	35%	0.35	34%	0.344	S	S	.	.			trans	-102.7	91.2	170.7	-63	-59.5	-45.8	0	0	109	L99 Q103 V357	L99-Q101 PolarHBondContact O-N 3.02Å; Q101-Q103 PolarHBondContact O-N 3.31Å; Q101-V357 HydrophobicContact CG-CG1 4.04Å; Q101-V357 HydrophobicContact CG-CG2 3.82Å
102	P	70.9	Confident	76.9	Confident	53 Å²	53	62.5 Å²	62.5	34%	0.344	31%	0.31	S	S	.	.			trans	-64.7	121.7	-179.1	27.3	-33.6	0	0	0	110	L100 V104 A303	L100-P102 VanDerWaalsContact O-CD 3.24Å; L100-P102 WeakPolarHBondContact O-CD 2.95Å; P102-V104 HydrophobicContact CB-CG2 4.18Å; P102-V104 PolarHBondContact O-N 3.43Å; P102-A303 HydrophobicContact CB-CB 4.25Å
103	Q	73.4	Confident	78.3	Confident	120 Å²	120	61.8 Å²	61.8	56%	0.561	30%	0.302	S	S	*	.			trans	-89.6	88.5	172.7	-64.1	-67.8	-60	0	0	108.2	Q101	Q101-Q103 PolarHBondContact O-N 3.31Å
104	V	75	Confident	80.2	Confident	58 Å²	58	58.6 Å²	58.6	35%	0.352	28%	0.275	S	S	.	.			trans	-92.4	124	-180	-179.3	0	0	0	0	109.3	P102 I299 A303	P102-V104 HydrophobicContact CB-CG2 4.18Å; P102-V104 PolarHBondContact O-N 3.43Å; V104-I299 HydrophobicContact CG1-CG2 3.43Å; V104-I299 VanDerWaalsContact CG1-CG2 3.43Å; V104-I299 HydrophobicContact CG2-CG2 4.43Å; V104-A303 HydrophobicContact CG2-CB 3.88Å
105	A	83	Confident	81.9	Confident	3 Å²	3	53.5 Å²	53.5	3%	0.025	25%	0.253	C	S	.	.			trans	-78.9	138.4	166.1	0	0	0	0	0	109.1	R111 A136 F137	A105-R111 HydrophobicContact CB-CB 4.44Å; A105-A136 HydrophobicContact CB-CB 3.85Å; A105-F137 HydrophobicContact CB-CB 3.84Å; A105-F137 WeakPolarHBondContact O-CD2 3.24Å
106	T	82.8	Confident	83.2	Confident	70 Å²	70	48.7 Å²	48.7	43%	0.429	23%	0.233	S	C	.	.			trans	-97	-18	-174.3	55.6	0	0	0	0	113.1	Q110 Q296	T106-Q110 PolarHBondContact OG1-NE2 2.99Å; T106-Q110 PolarHBondContact OG1-OE1 3.36Å; T106-Q296 PolarHBondContact O-NE2 2.89Å
107	Y	86.1	Confident	84.2	Confident	99 Å²	99	49.1 Å²	49.1	39%	0.388	24%	0.235	S	C	.	.	S	Bend	trans	-156.5	168.3	175.2	60.6	-92.8	0	0	0	110.5	Q110 F137 E170	Y107-Q110 HydrophobicContact CD1-CB 4.34Å; Y107-Q110 HydrophobicContact CD1-CG 4.47Å; Y107-Q110 HydrophobicContact CD2-CB 4.01Å; Y107-Q110 HydrophobicContact CE1-CB 4.06Å; Y107-Q110 HydrophobicContact CE1-CG 3.84Å; Y107-Q110 HydrophobicContact CE2-CB 3.69Å; Y107-Q110 HydrophobicContact CE2-CG 4.18Å; Y107-Q110 HydrophobicContact CG-CB 4.3Å; Y107-Q110 WeakPolarHBondContact O-CB 3.38Å; Y107-Q110 PolarHBondContact O-N 2.99Å; Y107-F137 VanDerWaalsContact C-CG 3.49Å; Y107-F137 VanDerWaalsContact O-CB 3.28Å; Y107-F137 WeakPolarHBondContact O-CB 3.34Å; Y107-E170 WeakPolarHBondContact OH-CG 3.49Å; Y107-E170 PolarHBondContact OH-OE1 2.84Å; Y107-E170 PolarHBondContact OH-OE2 2.73Å
108	R	88.6	Confident	84.3	Confident	92 Å²	92	44.5 Å²	44.5	35%	0.347	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	136.8	-176.4	-65.5	178	-63.1	127.5	1.5	111	Q110 F137 M254 M255	R108-Q110 PolarHBondContact O-N 3.37Å; R108-F137 HydrophobicContact CB-CD1 4.19Å; R108-F137 HydrophobicContact CG-CD1 3.5Å; R108-F137 HydrophobicContact CG-CE1 3.64Å; R108-M254 WeakPolarHBondContact CD-O 3.47Å; R108-M255 PolarHBondContact NH1-O 2.87Å
109	W	91.1	Very high	84.6	Confident	27 Å²	27	48.3 Å²	48.3	10%	0.102	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	7.5	173.4	-140.1	-107.5	0	0	0	115.7	R111 L112 D135 V162 Y166 G167 P169 M255	W109-R111 VanDerWaalsContact C-N 3.34Å; W109-R111 PolarHBondContact O-N 2.65Å; W109-L112 HydrophobicContact CD2-CD1 4.42Å; W109-L112 HydrophobicContact CD2-CD2 3.93Å; W109-L112 HydrophobicContact CE3-CD2 3.8Å; W109-L112 HydrophobicContact CH2-CD1 4.09Å; W109-L112 HydrophobicContact CH2-CD2 4.06Å; W109-L112 HydrophobicContact CZ2-CD1 3.59Å; W109-L112 HydrophobicContact CZ2-CD2 4.18Å; W109-L112 HydrophobicContact CZ2-CG 4.46Å; W109-L112 HydrophobicContact CZ3-CD2 3.86Å; W109-D135 HydrophobicContact CE3-CB 4.12Å; W109-D135 HydrophobicContact CZ3-CB 4.29Å; W109-D135 PolarHBondContact N-OD1 3.25Å; W109-D135 VanDerWaalsContact N-OD1 3.12Å; W109-D135 PolarHBondContact N-OD2 2.93Å; W109-V162 HydrophobicContact CH2-CG1 3.77Å; W109-V162 HydrophobicContact CZ2-CG1 3.52Å; W109-Y166 AromaticContact CH2-CD2 3.77Å; W109-Y166 HydrophobicContact CH2-CD2 3.77Å; W109-Y166 AromaticContact CH2-CG 3.77Å; W109-Y166 HydrophobicContact CH2-CG 3.77Å; W109-Y166 HydrophobicContact CZ2-CD2 4.12Å; W109-Y166 HydrophobicContact CZ2-CG 4.04Å; W109-Y166 HydrophobicContact CZ3-CG 4.36Å; W109-G167 PolarHBondContact NE1-O 3.39Å; W109-P169 VanDerWaalsContact O-CA 3.27Å; W109-P169 WeakPolarHBondContact O-CA 3.48Å; W109-P169 VanDerWaalsContact O-CB 3.26Å; W109-P169 WeakPolarHBondContact O-CB 3.24Å; W109-M255 HydrophobicContact CD2-CE 4.32Å; W109-M255 HydrophobicContact CE3-CE 3.55Å; W109-M255 HydrophobicContact CE3-SD 4.25Å; W109-M255 HydrophobicContact CZ3-CE 3.73Å
110	Q	90.9	Very high	84.8	Confident	39 Å²	39	46.4 Å²	46.4	18%	0.182	24%	0.244	C	C	.	.	S	Bend	trans	-61.6	-45.1	173.9	-174.3	179.7	27	0	0	111.2	T106 Y107 R108 E170 V171	T106-Q110 PolarHBondContact OG1-NE2 2.99Å; T106-Q110 PolarHBondContact OG1-OE1 3.36Å; Y107-Q110 HydrophobicContact CD1-CB 4.34Å; Y107-Q110 HydrophobicContact CD1-CG 4.47Å; Y107-Q110 HydrophobicContact CD2-CB 4.01Å; Y107-Q110 HydrophobicContact CE1-CB 4.06Å; Y107-Q110 HydrophobicContact CE1-CG 3.84Å; Y107-Q110 HydrophobicContact CE2-CB 3.69Å; Y107-Q110 HydrophobicContact CE2-CG 4.18Å; Y107-Q110 HydrophobicContact CG-CB 4.3Å; Y107-Q110 WeakPolarHBondContact O-CB 3.38Å; Y107-Q110 PolarHBondContact O-N 2.99Å; R108-Q110 PolarHBondContact O-N 3.37Å; Q110-E170 WeakPolarHBondContact CG-OE2 3.48Å; Q110-E170 PolarHBondContact NE2-OE2 2.74Å; Q110-E170 WeakPolarHBondContact O-CB 3.32Å; Q110-E170 PolarHBondContact O-N 2.85Å; Q110-V171 PolarHBondContact O-N 3.48Å
111	R	90.4	Very high	85.2	Confident	49 Å²	49	47.1 Å²	47.1	19%	0.185	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	121.5	-175	180	-179.1	-65	-145.7	8	111	A105 W109 A136 V171	A105-R111 HydrophobicContact CB-CB 4.44Å; W109-R111 VanDerWaalsContact C-N 3.34Å; W109-R111 PolarHBondContact O-N 2.65Å; R111-A136 HydrophobicContact CB-CB 4.11Å; R111-A136 HydrophobicContact CG-CB 4.2Å; R111-A136 VanDerWaalsContact O-CB 3.32Å; R111-A136 WeakPolarHBondContact O-CB 3.46Å; R111-A136 PolarHBondContact O-N 2.88Å; R111-V171 VanDerWaalsContact CA-O 3.31Å; R111-V171 WeakPolarHBondContact CA-O 3.45Å; R111-V171 HydrophobicContact CB-CB 4.29Å; R111-V171 HydrophobicContact CG-CB 4.21Å; R111-V171 HydrophobicContact CG-CG1 4.19Å
112	L	91.1	Very high	85.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139.7	170.8	-60.5	-175.8	0	0	0	111	W109 V133 M134 D135 V162 F163 P169 V171 L172 H173	W109-L112 HydrophobicContact CD2-CD1 4.42Å; W109-L112 HydrophobicContact CD2-CD2 3.93Å; W109-L112 HydrophobicContact CE3-CD2 3.8Å; W109-L112 HydrophobicContact CH2-CD1 4.09Å; W109-L112 HydrophobicContact CH2-CD2 4.06Å; W109-L112 HydrophobicContact CZ2-CD1 3.59Å; W109-L112 HydrophobicContact CZ2-CD2 4.18Å; W109-L112 HydrophobicContact CZ2-CG 4.46Å; W109-L112 HydrophobicContact CZ3-CD2 3.86Å; L112-V133 HydrophobicContact CB-CG1 4.22Å; L112-V133 HydrophobicContact CD1-CG1 3.92Å; L112-V133 HydrophobicContact CG-CG1 4.46Å; L112-M134 CarbonylContact C-O 3.58Å; L112-M134 VanDerWaalsContact CA-O 3.3Å; L112-M134 WeakPolarHBondContact CA-O 3.45Å; L112-D135 HydrophobicContact CD2-CB 3.8Å; L112-V162 HydrophobicContact CD1-CG1 4.2Å; L112-F163 HydrophobicContact CD1-CE1 4.21Å; L112-P169 HydrophobicContact CB-CB 4.48Å; L112-P169 HydrophobicContact CB-CG 4.41Å; L112-P169 HydrophobicContact CD1-CB 3.98Å; L112-P169 HydrophobicContact CD1-CG 3.71Å; L112-P169 HydrophobicContact CG-CB 3.74Å; L112-P169 HydrophobicContact CG-CG 3.91Å; L112-V171 PolarHBondContact N-O 2.91Å; L112-L172 HydrophobicContact CB-CD1 3.83Å; L112-H173 WeakPolarHBondContact O-CB 3.36Å; L112-H173 PolarHBondContact O-N 3.22Å
113	V	88.5	Confident	86.7	Confident	18 Å²	18	44.7 Å²	44.7	11%	0.109	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.6	170.5	-178.4	0	0	0	0	108	V133 M134 H173 A206	V113-V133 WeakPolarHBondContact O-CA 3.39Å; V113-M134 HydrophobicContact CB-CE 3.99Å; V113-M134 HydrophobicContact CG1-CE 4.46Å; V113-M134 HydrophobicContact CG2-CE 4.1Å; V113-M134 PolarHBondContact N-O 3.23Å; V113-M134 PolarHBondContact O-N 3.39Å; V113-H173 HydrophobicContact CG2-CB 4.24Å; V113-A206 HydrophobicContact CG1-CB 3.98Å
114	V	88.6	Confident	87.3	Confident	6 Å²	6	44 Å²	44	4%	0.036	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.3	-177.9	-179.7	0	0	0	0	109.7	L131 I132 V133 L158 L172 H173	V114-L131 HydrophobicContact CG1-CD1 3.42Å; V114-L131 VanDerWaalsContact CG1-CD1 3.42Å; V114-L131 HydrophobicContact CG1-CG 4.31Å; V114-I132 WeakPolarHBondContact CA-O 3.4Å; V114-V133 HydrophobicContact CG1-CG2 4.44Å; V114-V133 HydrophobicContact CG2-CG1 4.09Å; V114-V133 HydrophobicContact CG2-CG2 4.14Å; V114-L158 HydrophobicContact CG2-CD1 4.25Å; V114-L172 HydrophobicContact CG2-CD1 3.46Å; V114-L172 VanDerWaalsContact CG2-CD1 3.46Å; V114-L172 HydrophobicContact CG2-CG 4.19Å; V114-H173 PolarHBondContact N-O 3.12Å
115	D	87.8	Confident	87.9	Confident	38 Å²	38	44.3 Å²	44.3	20%	0.203	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	154.4	174.7	-169.4	31.7	0	0	0	111.5	I132 N210	D115-I132 PolarHBondContact N-O 2.91Å; D115-I132 PolarHBondContact O-N 3.07Å; D115-N210 PolarHBondContact OD2-ND2 2.8Å
116	I	88.5	Confident	88.3	Confident	29 Å²	29	45.6 Å²	45.6	15%	0.149	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.2	178.6	-58	172.5	0	0	0	107.9	Y129 I130 L131 M146 Q149 V154	I116-Y129 HydrophobicContact CG2-CD1 4.45Å; I116-I130 WeakPolarHBondContact CA-O 3.46Å; I116-L131 HydrophobicContact CG1-CD1 3.82Å; I116-M146 HydrophobicContact CG2-CE 4.43Å; I116-Q149 HydrophobicContact CG2-CG 3.87Å; I116-V154 HydrophobicContact CD1-CG1 4.07Å; I116-V154 HydrophobicContact CD1-CG2 3.8Å
117	S	86.5	Confident	88.8	Confident	13 Å²	13	43.5 Å²	43.5	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	142.2	177.6	-56.9	0	0	0	0	112.1	Y129 I130	S117-Y129 WeakPolarHBondContact O-CA 3.36Å; S117-I130 PolarHBondContact N-O 3.05Å; S117-I130 PolarHBondContact O-N 2.63Å
118	G	82.9	Confident	89	Confident	38 Å²	38	43.8 Å²	43.8	39%	0.392	26%	0.26	S	S	.	.			trans	147.2	-173.4	177.6	0	0	0	0	0	112.9
119	P	88.2	Confident	89.2	Confident	85 Å²	85	41.3 Å²	41.3	55%	0.552	25%	0.251	S	S	*	.			cis	-79.2	147	7.4	31.6	-34.7	0	0	0	113.7	R128 Y129	P119-R128 CarbonylContact C-O 3.52Å; P119-R128 WeakPolarHBondContact CA-O 3.47Å; P119-Y129 HydrophobicContact CB-CE1 3.88Å
120	L	88	Confident	89.3	Confident	29 Å²	29	40.2 Å²	40.2	15%	0.152	25%	0.247	C	C	.	.			trans	-105.5	165.5	173.9	-75	-180	0	0	0	112.1	T122 R128 I130 W214 W228	L120-T122 PolarHBondContact O-N 3.32Å; L120-R128 PolarHBondContact N-O 3.05Å; L120-I130 HydrophobicContact CD1-CD1 3.61Å; L120-I130 HydrophobicContact CD1-CG1 3.86Å; L120-W214 HydrophobicContact CD1-CH2 3.73Å; L120-W214 HydrophobicContact CD1-CZ3 4.28Å; L120-W214 HydrophobicContact CD2-CH2 3.45Å; L120-W214 VanDerWaalsContact CD2-CH2 3.45Å; L120-W214 HydrophobicContact CD2-CZ3 3.68Å; L120-W214 HydrophobicContact CG-CH2 3.8Å; L120-W214 HydrophobicContact CG-CZ3 4.42Å; L120-W228 HydrophobicContact CB-CZ2 4.17Å; L120-W228 HydrophobicContact CD1-CD2 3.69Å; L120-W228 HydrophobicContact CD1-CE3 3.94Å; L120-W228 HydrophobicContact CD1-CG 4.24Å; L120-W228 HydrophobicContact CD1-CH2 4.04Å; L120-W228 HydrophobicContact CD1-CZ2 3.76Å; L120-W228 HydrophobicContact CD1-CZ3 4.13Å
121	P	89.5	Confident	89.3	Confident	49 Å²	49	38.3 Å²	38.3	32%	0.318	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-49.1	131.2	165.4	-27.1	36.4	0	0	0	110.4	T123 E225 W228	P121-T123 PolarHBondContact O-N 3.06Å; P121-E225 HydrophobicContact CB-CB 4.49Å; P121-E225 HydrophobicContact CG-CB 4.12Å; P121-W228 PolarHBondContact O-NE1 3.06Å
122	T	91.4	Very high	89.4	Confident	70 Å²	70	36.2 Å²	36.2	43%	0.429	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-68.7	123.9	-175.9	-52.8	0	0	0	0	109.3	L120 N127 R128	L120-T122 PolarHBondContact O-N 3.32Å; T122-N127 WeakPolarHBondContact CA-O 3.44Å; T122-R128 HydrophobicContact CG2-CG 3.9Å; T122-R128 WeakPolarHBondContact OG1-CD 3.41Å; T122-R128 WeakPolarHBondContact OG1-CG 3.46Å
123	T	89	Confident	89.4	Confident	7 Å²	7	36.4 Å²	36.4	4%	0.043	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-71.5	166.6	175.7	68.3	0	0	0	0	110.9	P121 S125 G126 N127 R226 W228 H229	P121-T123 PolarHBondContact O-N 3.06Å; T123-S125 PolarHBondContact O-N 3.18Å; T123-S125 PolarHBondContact OG1-N 3.41Å; T123-S125 PolarHBondContact OG1-OG 2.67Å; T123-G126 PolarHBondContact O-N 3.49Å; T123-G126 PolarHBondContact OG1-N 3.31Å; T123-N127 HydrophobicContact CG2-CB 4.09Å; T123-N127 PolarHBondContact N-O 3.49Å; T123-N127 WeakPolarHBondContact OG1-CB 3.37Å; T123-N127 PolarHBondContact OG1-N 3.02Å; T123-R226 WeakPolarHBondContact CG2-O 3.39Å; T123-W228 HydrophobicContact CG2-CD2 4.06Å; T123-W228 HydrophobicContact CG2-CG 4.48Å; T123-W228 HydrophobicContact CG2-CH2 4.29Å; T123-W228 HydrophobicContact CG2-CZ2 3.47Å; T123-W228 VanDerWaalsContact CG2-CZ2 3.47Å; T123-W228 VanDerWaalsContact CG2-NE1 3.34Å; T123-H229 HydrophobicContact CG2-CB 3.91Å; T123-H229 VanDerWaalsContact CG2-ND1 3.31Å; T123-H229 WeakPolarHBondContact CG2-ND1 3.39Å
124	A	86.2	Confident	89.6	Confident	104 Å²	104	35.9 Å²	35.9	86%	0.86	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.4	170.8	0	0	0	0	0	113	G126	A124-G126 VanDerWaalsContact C-N 3.26Å; A124-G126 PolarHBondContact O-N 3.42Å
125	S	88	Confident	89.7	Confident	66 Å²	66	35.7 Å²	35.7	46%	0.462	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	0.4	174.5	43.7	0	0	0	0	114.4	T123 N127	T123-S125 PolarHBondContact O-N 3.18Å; T123-S125 PolarHBondContact OG1-N 3.41Å; T123-S125 PolarHBondContact OG1-OG 2.67Å; S125-N127 VanDerWaalsContact C-N 3.34Å; S125-N127 PolarHBondContact OG-ND2 3.01Å
126	G	90	Very high	89.7	Confident	30 Å²	30	34.5 Å²	34.5	31%	0.309	22%	0.222	S	C	.	.			trans	79	12.5	-179.8	0	0	0	0	0	114.5	T123 A124 P147	T123-G126 PolarHBondContact O-N 3.49Å; T123-G126 PolarHBondContact OG1-N 3.31Å; A124-G126 VanDerWaalsContact C-N 3.26Å; A124-G126 PolarHBondContact O-N 3.42Å; G126-P147 WeakPolarHBondContact O-CA 3.24Å; G126-P147 WeakPolarHBondContact O-CB 3.25Å
127	N	92.7	Very high	89.6	Confident	26 Å²	26	33.1 Å²	33.1	14%	0.139	22%	0.215	C	C	.	.			trans	-77.6	135.8	178.2	-65.6	-50.2	0	0	0	110.7	T122 T123 S125 P145 M146 P147 W228	T122-N127 WeakPolarHBondContact CA-O 3.44Å; T123-N127 HydrophobicContact CG2-CB 4.09Å; T123-N127 PolarHBondContact N-O 3.49Å; T123-N127 WeakPolarHBondContact OG1-CB 3.37Å; T123-N127 PolarHBondContact OG1-N 3.02Å; S125-N127 VanDerWaalsContact C-N 3.34Å; S125-N127 PolarHBondContact OG-ND2 3.01Å; N127-P145 HydrophobicContact CB-CB 3.97Å; N127-M146 WeakPolarHBondContact CA-O 2.96Å; N127-M146 WeakPolarHBondContact OD1-CA 3.17Å; N127-P147 WeakPolarHBondContact OD1-CD 3.48Å; N127-W228 HydrophobicContact CB-CH2 3.95Å; N127-W228 HydrophobicContact CB-CZ2 3.97Å
128	R	92.1	Very high	89.8	Confident	105 Å²	105	32.5 Å²	32.5	40%	0.396	21%	0.211	S	C	.	.			trans	-132.9	-8.8	-177.6	-65.2	-176.7	64.3	-163.8	-1	113.2	P119 L120 T122 M146	P119-R128 CarbonylContact C-O 3.52Å; P119-R128 WeakPolarHBondContact CA-O 3.47Å; L120-R128 PolarHBondContact N-O 3.05Å; T122-R128 HydrophobicContact CG2-CG 3.9Å; T122-R128 WeakPolarHBondContact OG1-CD 3.41Å; T122-R128 WeakPolarHBondContact OG1-CG 3.46Å; R128-M146 PolarHBondContact N-O 2.93Å
129	Y	92.5	Very high	90.1	Very high	39 Å²	39	31.5 Å²	31.5	15%	0.153	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	159.6	-175.8	-62	-79.3	0	0	0	110.1	I116 S117 P119 P145 M146 Q149	I116-Y129 HydrophobicContact CG2-CD1 4.45Å; S117-Y129 WeakPolarHBondContact O-CA 3.36Å; P119-Y129 HydrophobicContact CB-CE1 3.88Å; Y129-P145 CarbonylContact O-C 3.59Å; Y129-M146 PolarHBondContact N-O 2.59Å; Y129-M146 PolarHBondContact O-N 3.24Å; Y129-Q149 HydrophobicContact CD1-CG 3.66Å; Y129-Q149 HydrophobicContact CD2-CG 4Å; Y129-Q149 HydrophobicContact CE1-CG 3.71Å; Y129-Q149 HydrophobicContact CE2-CG 4.01Å; Y129-Q149 HydrophobicContact CG-CG 3.81Å
130	I	91.9	Very high	90.4	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.9	173.3	-59.2	176.6	0	0	0	107.9	I116 S117 L120 I132 A143 I144 W214 L217 W228 L232	I116-I130 WeakPolarHBondContact CA-O 3.46Å; S117-I130 PolarHBondContact N-O 3.05Å; S117-I130 PolarHBondContact O-N 2.63Å; L120-I130 HydrophobicContact CD1-CD1 3.61Å; L120-I130 HydrophobicContact CD1-CG1 3.86Å; I130-I132 HydrophobicContact CG2-CG1 3.88Å; I130-A143 HydrophobicContact CG2-CB 3.84Å; I130-I144 WeakPolarHBondContact CA-O 3.39Å; I130-W214 HydrophobicContact CD1-CH2 4.25Å; I130-L217 HydrophobicContact CD1-CD2 4.19Å; I130-W228 HydrophobicContact CD1-CE3 3.89Å; I130-W228 HydrophobicContact CD1-CH2 4.4Å; I130-W228 HydrophobicContact CD1-CZ3 3.67Å; I130-W228 HydrophobicContact CG1-CE3 4.21Å; I130-W228 HydrophobicContact CG1-CH2 3.83Å; I130-W228 HydrophobicContact CG1-CZ3 3.48Å; I130-W228 VanDerWaalsContact CG1-CZ3 3.48Å; I130-L232 HydrophobicContact CD1-CD1 4.16Å; I130-L232 HydrophobicContact CD1-CD2 4.06Å; I130-L232 HydrophobicContact CG1-CD2 4.3Å; I130-L232 HydrophobicContact CG2-CD2 4.1Å
131	L	92.2	Very high	90.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	119.4	165.5	-172.1	61.3	0	0	0	108.6	V114 I116 V133 A143 I144 M146 V154 V157 L158	V114-L131 HydrophobicContact CG1-CD1 3.42Å; V114-L131 VanDerWaalsContact CG1-CD1 3.42Å; V114-L131 HydrophobicContact CG1-CG 4.31Å; I116-L131 HydrophobicContact CG1-CD1 3.82Å; L131-V133 HydrophobicContact CD2-CG2 4.12Å; L131-V133 HydrophobicContact CG-CG2 3.94Å; L131-A143 CarbonylContact O-C 3.53Å; L131-A143 VanDerWaalsContact O-CA 3.29Å; L131-A143 WeakPolarHBondContact O-CA 3.29Å; L131-I144 HydrophobicContact CB-CB 4.42Å; L131-I144 PolarHBondContact N-O 3.15Å; L131-I144 PolarHBondContact O-N 3.18Å; L131-M146 HydrophobicContact CB-CE 3.56Å; L131-M146 HydrophobicContact CB-CG 4.39Å; L131-M146 HydrophobicContact CB-SD 3.79Å; L131-M146 HydrophobicContact CD1-CE 4.19Å; L131-M146 HydrophobicContact CD2-SD 4.21Å; L131-M146 HydrophobicContact CG-CE 4.34Å; L131-M146 HydrophobicContact CG-SD 4.48Å; L131-V154 HydrophobicContact CD1-CG1 3.52Å; L131-V154 HydrophobicContact CD2-CG1 3.97Å; L131-V154 HydrophobicContact CG-CG1 4.36Å; L131-V157 HydrophobicContact CD2-CB 4.39Å; L131-V157 HydrophobicContact CD2-CG1 3.84Å; L131-L158 HydrophobicContact CD2-CB 4.45Å; L131-L158 HydrophobicContact CD2-CD1 4.45Å
132	I	91.3	Very high	90.9	Very high	4 Å²	4	25 Å²	25	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.8	175.9	-57.2	178	0	0	0	107.8	V114 D115 I130 V141 E142 M209 I213	V114-I132 WeakPolarHBondContact CA-O 3.4Å; D115-I132 PolarHBondContact N-O 2.91Å; D115-I132 PolarHBondContact O-N 3.07Å; I130-I132 HydrophobicContact CG2-CG1 3.88Å; I132-V141 HydrophobicContact CG2-CG1 3.64Å; I132-E142 CarbonylContact C-O 3.53Å; I132-E142 WeakPolarHBondContact CA-O 3.39Å; I132-M209 HydrophobicContact CG2-CE 3.67Å; I132-I213 HydrophobicContact CG2-CD1 4.38Å
133	V	92.2	Very high	91.1	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.024	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	117	178.4	-173.3	0	0	0	0	109	L112 V113 V114 L131 V141 E142 L158 V162	L112-V133 HydrophobicContact CB-CG1 4.22Å; L112-V133 HydrophobicContact CD1-CG1 3.92Å; L112-V133 HydrophobicContact CG-CG1 4.46Å; V113-V133 WeakPolarHBondContact O-CA 3.39Å; V114-V133 HydrophobicContact CG1-CG2 4.44Å; V114-V133 HydrophobicContact CG2-CG1 4.09Å; V114-V133 HydrophobicContact CG2-CG2 4.14Å; L131-V133 HydrophobicContact CD2-CG2 4.12Å; L131-V133 HydrophobicContact CG-CG2 3.94Å; V133-V141 CarbonylContact O-C 3.49Å; V133-V141 WeakPolarHBondContact O-CA 3.47Å; V133-E142 PolarHBondContact N-O 3.13Å; V133-E142 PolarHBondContact O-N 3.42Å; V133-L158 HydrophobicContact CG1-CD1 4.36Å; V133-L158 HydrophobicContact CG2-CD1 3.76Å; V133-V162 HydrophobicContact CB-CG2 4.44Å; V133-V162 HydrophobicContact CG1-CG1 4.18Å; V133-V162 HydrophobicContact CG2-CG2 4.15Å
134	M	91.6	Very high	91.3	Very high	8 Å²	8	22.9 Å²	22.9	4%	0.039	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133.5	-179.5	175.8	-173.5	50	0	0	111	L112 V113 K139 F140 V141 A206 M209	L112-M134 CarbonylContact C-O 3.58Å; L112-M134 VanDerWaalsContact CA-O 3.3Å; L112-M134 WeakPolarHBondContact CA-O 3.45Å; V113-M134 HydrophobicContact CB-CE 3.99Å; V113-M134 HydrophobicContact CG1-CE 4.46Å; V113-M134 HydrophobicContact CG2-CE 4.1Å; V113-M134 PolarHBondContact N-O 3.23Å; V113-M134 PolarHBondContact O-N 3.39Å; M134-K139 HydrophobicContact SD-CD 4.38Å; M134-F140 CarbonylContact C-O 3.58Å; M134-F140 VanDerWaalsContact CA-O 3.29Å; M134-F140 WeakPolarHBondContact CA-O 3.49Å; M134-V141 HydrophobicContact CB-CG2 4.13Å; M134-V141 HydrophobicContact CG-CG2 4.07Å; M134-A206 HydrophobicContact CE-CB 3.94Å; M134-M209 HydrophobicContact CB-CE 4Å; M134-M209 HydrophobicContact CB-SD 3.84Å; M134-M209 HydrophobicContact CE-CE 4.41Å; M134-M209 HydrophobicContact CE-SD 4.19Å; M134-M209 HydrophobicContact CG-SD 3.76Å; M134-M209 HydrophobicContact SD-CE 4.17Å; M134-M209 HydrophobicContact SD-SD 3.25Å
135	D	91.4	Very high	91.7	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	121.8	162.8	175.3	37.6	0	0	0	111.1	W109 L112 F137 S138 K139 F140	W109-D135 HydrophobicContact CE3-CB 4.12Å; W109-D135 HydrophobicContact CZ3-CB 4.29Å; W109-D135 PolarHBondContact N-OD1 3.25Å; W109-D135 VanDerWaalsContact N-OD1 3.12Å; W109-D135 PolarHBondContact N-OD2 2.93Å; L112-D135 HydrophobicContact CD2-CB 3.8Å; D135-F137 PolarHBondContact O-N 2.86Å; D135-F137 PolarHBondContact OD1-N 3.47Å; D135-S138 WeakPolarHBondContact CB-OG 3.39Å; D135-S138 WeakPolarHBondContact OD2-CB 3.43Å; D135-S138 PolarHBondContact OD2-N 3.37Å; D135-S138 PolarHBondContact OD2-OG 3.18Å; D135-K139 VanDerWaalsContact O-CA 3.24Å; D135-K139 WeakPolarHBondContact O-CA 3.31Å; D135-K139 PolarHBondContact O-N 2.67Å; D135-F140 PolarHBondContact N-O 3.05Å
136	A	87.6	Confident	92	Very high	13 Å²	13	16.5 Å²	16.5	11%	0.107	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.4	-176.1	0	0	0	0	0	113	A105 R111 K139	A105-A136 HydrophobicContact CB-CB 3.85Å; R111-A136 HydrophobicContact CB-CB 4.11Å; R111-A136 HydrophobicContact CG-CB 4.2Å; R111-A136 VanDerWaalsContact O-CB 3.32Å; R111-A136 WeakPolarHBondContact O-CB 3.46Å; R111-A136 PolarHBondContact O-N 2.88Å; A136-K139 WeakPolarHBondContact O-CE 3.12Å; A136-K139 PolarHBondContact O-NZ 3.29Å
137	F	87.2	Confident	92.1	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-65.2	177.4	178.6	-102.4	0	0	0	112.1	A105 Y107 R108 D135 K139 M254 L295 Q296 I299	A105-F137 HydrophobicContact CB-CB 3.84Å; A105-F137 WeakPolarHBondContact O-CD2 3.24Å; Y107-F137 VanDerWaalsContact C-CG 3.49Å; Y107-F137 VanDerWaalsContact O-CB 3.28Å; Y107-F137 WeakPolarHBondContact O-CB 3.34Å; R108-F137 HydrophobicContact CB-CD1 4.19Å; R108-F137 HydrophobicContact CG-CD1 3.5Å; R108-F137 HydrophobicContact CG-CE1 3.64Å; D135-F137 PolarHBondContact O-N 2.86Å; D135-F137 PolarHBondContact OD1-N 3.47Å; F137-K139 VanDerWaalsContact C-N 3.25Å; F137-K139 PolarHBondContact O-N 3.28Å; F137-M254 HydrophobicContact CD1-CE 4.31Å; F137-M254 HydrophobicContact CE1-CE 3.66Å; F137-M254 HydrophobicContact CZ-CE 4.15Å; F137-L295 HydrophobicContact CE1-CD2 4.19Å; F137-L295 HydrophobicContact CE2-CD2 3.97Å; F137-L295 HydrophobicContact CZ-CD2 3.71Å; F137-Q296 VanDerWaalsContact CE2-NE2 3.26Å; F137-I299 HydrophobicContact CD2-CD1 4.15Å; F137-I299 HydrophobicContact CE2-CD1 4.12Å
138	S	89.5	Confident	92	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-16.2	-174.7	62	0	0	0	0	114	D135 F140 P251 M254	D135-S138 WeakPolarHBondContact CB-OG 3.39Å; D135-S138 WeakPolarHBondContact OD2-CB 3.43Å; D135-S138 PolarHBondContact OD2-N 3.37Å; D135-S138 PolarHBondContact OD2-OG 3.18Å; S138-F140 PolarHBondContact O-N 2.79Å; S138-F140 WeakPolarHBondContact OG-CB 3.5Å; S138-F140 PolarHBondContact OG-N 3.47Å; S138-P251 WeakPolarHBondContact O-CA 3.49Å; S138-M254 WeakPolarHBondContact O-CB 3.32Å
139	K	90.5	Very high	91.8	Very high	17 Å²	17	17 Å²	17	7%	0.074	9%	0.092	C	C	.	.			trans	60.9	19.5	-168.3	-46.8	-53.7	-176.4	-175.2	0	112.7	M134 D135 A136 F137 T247 P251	M134-K139 HydrophobicContact SD-CD 4.38Å; D135-K139 VanDerWaalsContact O-CA 3.24Å; D135-K139 WeakPolarHBondContact O-CA 3.31Å; D135-K139 PolarHBondContact O-N 2.67Å; A136-K139 WeakPolarHBondContact O-CE 3.12Å; A136-K139 PolarHBondContact O-NZ 3.29Å; F137-K139 VanDerWaalsContact C-N 3.25Å; F137-K139 PolarHBondContact O-N 3.28Å; K139-T247 HydrophobicContact CG-CG2 3.83Å; K139-P251 HydrophobicContact CB-CG 4.44Å; K139-P251 WeakPolarHBondContact O-CB 3.35Å
140	F	93.8	Very high	91.5	Very high	2 Å²	2	20 Å²	20	1%	0.009	11%	0.107	C	C	.	.			trans	-70.8	134.3	175.7	-170	-91.1	0	0	0	110	M134 D135 S138 E142 R240 P251 Y252 M255 F256	M134-F140 CarbonylContact C-O 3.58Å; M134-F140 VanDerWaalsContact CA-O 3.29Å; M134-F140 WeakPolarHBondContact CA-O 3.49Å; D135-F140 PolarHBondContact N-O 3.05Å; S138-F140 PolarHBondContact O-N 2.79Å; S138-F140 WeakPolarHBondContact OG-CB 3.5Å; S138-F140 PolarHBondContact OG-N 3.47Å; F140-E142 HydrophobicContact CE1-CG 4.06Å; F140-R240 HydrophobicContact CD2-CG 4.08Å; F140-R240 HydrophobicContact CE2-CB 4.34Å; F140-R240 HydrophobicContact CE2-CG 3.83Å; F140-R240 HydrophobicContact CZ-CG 4.35Å; F140-P251 HydrophobicContact CB-CB 4.35Å; F140-P251 HydrophobicContact CD2-CB 4.38Å; F140-Y252 HydrophobicContact CE2-CD2 4.31Å; F140-M255 HydrophobicContact CB-CB 4.29Å; F140-M255 HydrophobicContact CD2-CB 3.73Å; F140-M255 HydrophobicContact CD2-CG 4.14Å; F140-M255 HydrophobicContact CE2-CB 4.26Å; F140-M255 HydrophobicContact CE2-CG 4.45Å; F140-M255 HydrophobicContact CG-CB 4.1Å; F140-M255 HydrophobicContact CG-CG 4.2Å; F140-F256 HydrophobicContact CE2-CD2 4.46Å; F140-F256 AromaticContact CE2-CE2 3.69Å; F140-F256 HydrophobicContact CE2-CE2 3.69Å; F140-F256 HydrophobicContact CE2-CZ 4.47Å; F140-F256 AromaticContact CZ-CE2 3.93Å; F140-F256 HydrophobicContact CZ-CE2 3.93Å; F140-F256 HydrophobicContact CZ-CZ 4.33Å
141	V	94.2	Very high	91.2	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	127.7	-173.2	-174.5	0	0	0	0	111.3	I132 V133 M134 M209 I213 M236 Y239 R240	I132-V141 HydrophobicContact CG2-CG1 3.64Å; V133-V141 CarbonylContact O-C 3.49Å; V133-V141 WeakPolarHBondContact O-CA 3.47Å; M134-V141 HydrophobicContact CB-CG2 4.13Å; M134-V141 HydrophobicContact CG-CG2 4.07Å; V141-M209 HydrophobicContact CB-SD 4.48Å; V141-M209 HydrophobicContact CG1-SD 4.38Å; V141-M209 HydrophobicContact CG2-CE 4.35Å; V141-M209 HydrophobicContact CG2-CG 4.21Å; V141-M209 HydrophobicContact CG2-SD 3.27Å; V141-M209 WeakPolarHBondContact CG2-SD 3.47Å; V141-I213 HydrophobicContact CB-CD1 4.5Å; V141-I213 HydrophobicContact CG1-CD1 3.77Å; V141-M236 HydrophobicContact CG1-SD 4.22Å; V141-Y239 HydrophobicContact CB-CD1 4.32Å; V141-Y239 HydrophobicContact CB-CE1 4.15Å; V141-Y239 HydrophobicContact CG2-CD1 4.18Å; V141-Y239 HydrophobicContact CG2-CE1 3.52Å; V141-R240 PolarHBondContact O-NE 3.36Å; V141-R240 PolarHBondContact O-NH2 3.22Å
142	E	94.1	Very high	90.9	Very high	25 Å²	25	24.8 Å²	24.8	12%	0.117	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.8	165.3	-76.3	-63.7	156.8	0	0	110.1	I132 V133 F140 Y166 R240	I132-E142 CarbonylContact C-O 3.53Å; I132-E142 WeakPolarHBondContact CA-O 3.39Å; V133-E142 PolarHBondContact N-O 3.13Å; V133-E142 PolarHBondContact O-N 3.42Å; F140-E142 HydrophobicContact CE1-CG 4.06Å; E142-Y166 HydrophobicContact CG-CE2 3.94Å; E142-Y166 PolarHBondContact OE1-OH 2.81Å; E142-R240 IonicContact OE1-CZ 3.68Å; E142-R240 IonicContact OE1-NH1 2.65Å; E142-R240 PolarHBondContact OE1-NH1 2.76Å; E142-R240 IonicContact OE1-NH2 3.7Å; E142-R240 PolarHBondContact OE1-NH2 2.88Å; E142-R240 IonicContact OE2-CZ 3.06Å; E142-R240 IonicContact OE2-NH1 2.66Å; E142-R240 IonicContact OE2-NH2 2.94Å; E142-R240 PolarHBondContact OE2-NH2 3.49Å
143	A	94.5	Very high	90.8	Very high	10 Å²	10	25.6 Å²	25.6	8%	0.083	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	116.2	175.6	0	0	0	0	0	109.2	I130 L131 L232 M236	I130-A143 HydrophobicContact CG2-CB 3.84Å; L131-A143 CarbonylContact O-C 3.53Å; L131-A143 VanDerWaalsContact O-CA 3.29Å; L131-A143 WeakPolarHBondContact O-CA 3.29Å; A143-L232 HydrophobicContact CB-CD1 3.83Å; A143-L232 HydrophobicContact CB-CD2 4.05Å; A143-L232 HydrophobicContact CB-CG 4.11Å; A143-L232 WeakPolarHBondContact O-CD2 3.47Å; A143-M236 HydrophobicContact CB-CE 4.04Å; A143-M236 HydrophobicContact CB-CG 3.78Å; A143-M236 HydrophobicContact CB-SD 3.41Å; A143-M236 WeakPolarHBondContact CB-SD 3.45Å
144	I	94.4	Very high	90.6	Very high	21 Å²	21	25.6 Å²	25.6	11%	0.108	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.4	-169.4	-55	157.2	0	0	0	109.9	I130 L131 V157 D161 V162	I130-I144 WeakPolarHBondContact CA-O 3.39Å; L131-I144 HydrophobicContact CB-CB 4.42Å; L131-I144 PolarHBondContact N-O 3.15Å; L131-I144 PolarHBondContact O-N 3.18Å; I144-V157 HydrophobicContact CB-CG1 3.91Å; I144-V157 HydrophobicContact CD1-CG1 3.81Å; I144-V157 HydrophobicContact CG1-CG1 4.46Å; I144-V157 HydrophobicContact CG2-CG1 3.47Å; I144-V157 VanDerWaalsContact CG2-CG1 3.47Å; I144-D161 HydrophobicContact CD1-CB 3.63Å; I144-D161 HydrophobicContact CG1-CB 4.41Å; I144-V162 HydrophobicContact CD1-CG2 3.7Å
145	P	94.7	Very high	90.5	Very high	37 Å²	37	25.5 Å²	25.5	24%	0.24	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	139.3	174.5	-21.8	33.1	0	0	0	112.3	N127 Y129 W228 H229 L232	N127-P145 HydrophobicContact CB-CB 3.97Å; Y129-P145 CarbonylContact O-C 3.59Å; P145-W228 HydrophobicContact CB-CH2 3.76Å; P145-W228 HydrophobicContact CB-CZ3 3.85Å; P145-W228 HydrophobicContact CG-CH2 4.37Å; P145-W228 HydrophobicContact CG-CZ3 3.94Å; P145-H229 HydrophobicContact CB-CB 4.31Å; P145-H229 HydrophobicContact CG-CB 3.97Å; P145-L232 HydrophobicContact CG-CD2 3.85Å
146	M	93.9	Very high	90.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	150	177.6	-59.2	-169.5	-57.9	0	0	112.3	I116 N127 R128 Y129 L131 V154 V157	I116-M146 HydrophobicContact CG2-CE 4.43Å; N127-M146 WeakPolarHBondContact CA-O 2.96Å; N127-M146 WeakPolarHBondContact OD1-CA 3.17Å; R128-M146 PolarHBondContact N-O 2.93Å; Y129-M146 PolarHBondContact N-O 2.59Å; Y129-M146 PolarHBondContact O-N 3.24Å; L131-M146 HydrophobicContact CB-CE 3.56Å; L131-M146 HydrophobicContact CB-CG 4.39Å; L131-M146 HydrophobicContact CB-SD 3.79Å; L131-M146 HydrophobicContact CD1-CE 4.19Å; L131-M146 HydrophobicContact CD2-SD 4.21Å; L131-M146 HydrophobicContact CG-CE 4.34Å; L131-M146 HydrophobicContact CG-SD 4.48Å; M146-V154 HydrophobicContact CE-CG1 4.25Å; M146-V154 HydrophobicContact CE-CG2 3.87Å; M146-V154 HydrophobicContact SD-CB 4.39Å; M146-V154 HydrophobicContact SD-CG1 4.36Å; M146-V154 HydrophobicContact SD-CG2 4.19Å; M146-V157 HydrophobicContact CG-CG1 4.33Å; M146-V157 HydrophobicContact CG-CG2 4Å; M146-V157 HydrophobicContact SD-CB 3.97Å; M146-V157 HydrophobicContact SD-CG1 4.07Å; M146-V157 HydrophobicContact SD-CG2 3.87Å
147	P	92.5	Very high	90.6	Very high	55 Å²	55	25.9 Å²	25.9	36%	0.357	15%	0.15	S	C	.	.	S	Bend	trans	-75.9	-31.9	179.5	29.1	-35.2	0	0	0	113.7	G126 N127 T153	G126-P147 WeakPolarHBondContact O-CA 3.24Å; G126-P147 WeakPolarHBondContact O-CB 3.25Å; N127-P147 WeakPolarHBondContact OD1-CD 3.48Å; P147-T153 HydrophobicContact CG-CG2 4.19Å
148	N	89.8	Confident	90.8	Very high	43 Å²	43	26 Å²	26	23%	0.23	15%	0.15	C	C	.	.			trans	-150.4	169.9	-175.1	64.9	38.8	0	0	0	111.7	E150 T153	N148-E150 VanDerWaalsContact C-N 3.32Å; N148-E150 HydrophobicContact CB-CG 4.26Å; N148-E150 PolarHBondContact ND2-OE2 3.27Å; N148-E150 VanDerWaalsContact OD1-CB 3.25Å; N148-E150 WeakPolarHBondContact OD1-CB 3.27Å; N148-E150 WeakPolarHBondContact OD1-CG 3.26Å; N148-E150 PolarHBondContact OD1-N 3.45Å; N148-E150 VanDerWaalsContact OD1-N 3.08Å; N148-T153 WeakPolarHBondContact OD1-CB 3.33Å; N148-T153 PolarHBondContact OD1-OG1 3.27Å
149	Q	87.2	Confident	90.9	Very high	73 Å²	73	27.9 Å²	27.9	34%	0.341	16%	0.162	S	C	.	.			trans	-95.1	18.3	175.4	-49.1	-171.1	-5	0	0	112.2	I116 Y129 A151	I116-Q149 HydrophobicContact CG2-CG 3.87Å; Y129-Q149 HydrophobicContact CD1-CG 3.66Å; Y129-Q149 HydrophobicContact CD2-CG 4Å; Y129-Q149 HydrophobicContact CE1-CG 3.71Å; Y129-Q149 HydrophobicContact CE2-CG 4.01Å; Y129-Q149 HydrophobicContact CG-CG 3.81Å; Q149-A151 PolarHBondContact O-N 3.34Å
150	E	87.2	Confident	90.9	Very high	101 Å²	101	29 Å²	29	47%	0.472	17%	0.168	S	C	.	.			trans	-64.3	134.5	-179.8	-66.2	175.7	160.4	0	0	109.8	N148 T152 T153 V154	N148-E150 VanDerWaalsContact C-N 3.32Å; N148-E150 HydrophobicContact CB-CG 4.26Å; N148-E150 PolarHBondContact ND2-OE2 3.27Å; N148-E150 VanDerWaalsContact OD1-CB 3.25Å; N148-E150 WeakPolarHBondContact OD1-CB 3.27Å; N148-E150 WeakPolarHBondContact OD1-CG 3.26Å; N148-E150 PolarHBondContact OD1-N 3.45Å; N148-E150 VanDerWaalsContact OD1-N 3.08Å; E150-T152 PolarHBondContact O-N 3.19Å; E150-T153 WeakPolarHBondContact O-CB 3.44Å; E150-T153 PolarHBondContact O-N 3.02Å; E150-V154 WeakPolarHBondContact O-CG2 3.43Å; E150-V154 PolarHBondContact O-N 3.41Å; E150-V154 VanDerWaalsContact O-N 3.07Å
151	A	84.5	Confident	90.9	Very high	27 Å²	27	30.3 Å²	30.3	22%	0.223	18%	0.175	C	C	.	.	H	α-helix	trans	-44.8	-43.8	179.1	0	0	0	0	0	114.3	Q149 A155 S178 L180	Q149-A151 PolarHBondContact O-N 3.34Å; A151-A155 VanDerWaalsContact O-CB 3.27Å; A151-A155 WeakPolarHBondContact O-CB 3.35Å; A151-A155 PolarHBondContact O-N 2.83Å; A151-S178 WeakPolarHBondContact CB-OG 3.47Å; A151-L180 HydrophobicContact CB-CB 4.07Å; A151-L180 HydrophobicContact CB-CD2 4.3Å; A151-L180 WeakPolarHBondContact O-CD2 3.4Å
152	T	86.9	Confident	90.8	Very high	78 Å²	78	30.3 Å²	30.3	48%	0.479	18%	0.175	S	C	.	.	H	α-helix	trans	-64.5	-40.5	180	44.4	0	0	0	0	112.7	E150 G156 L180	E150-T152 PolarHBondContact O-N 3.19Å; T152-G156 PolarHBondContact O-N 3.03Å; T152-L180 HydrophobicContact CG2-CD1 3.55Å
153	T	88.8	Confident	90.8	Very high	22 Å²	22	29.7 Å²	29.7	14%	0.135	17%	0.172	C	C	.	.	H	α-helix	trans	-68.5	-49.9	-179.8	-54.9	0	0	0	0	109.7	P147 N148 E150 A155 G156 V157	P147-T153 HydrophobicContact CG-CG2 4.19Å; N148-T153 WeakPolarHBondContact OD1-CB 3.33Å; N148-T153 PolarHBondContact OD1-OG1 3.27Å; E150-T153 WeakPolarHBondContact O-CB 3.44Å; E150-T153 PolarHBondContact O-N 3.02Å; T153-A155 VanDerWaalsContact C-N 3.34Å; T153-A155 PolarHBondContact O-N 2.78Å; T153-G156 PolarHBondContact O-N 3.07Å; T153-V157 VanDerWaalsContact O-CG2 3.32Å; T153-V157 WeakPolarHBondContact O-CG2 3.36Å; T153-V157 PolarHBondContact O-N 2.62Å
154	V	88.8	Confident	90.7	Very high	3 Å²	3	34 Å²	34	2%	0.018	20%	0.2	C	C	.	.	H	α-helix	trans	-64.6	-40.5	-177.9	-166.6	0	0	0	0	110.9	I116 L131 M146 E150 L158 F181	I116-V154 HydrophobicContact CD1-CG1 4.07Å; I116-V154 HydrophobicContact CD1-CG2 3.8Å; L131-V154 HydrophobicContact CD1-CG1 3.52Å; L131-V154 HydrophobicContact CD2-CG1 3.97Å; L131-V154 HydrophobicContact CG-CG1 4.36Å; M146-V154 HydrophobicContact CE-CG1 4.25Å; M146-V154 HydrophobicContact CE-CG2 3.87Å; M146-V154 HydrophobicContact SD-CB 4.39Å; M146-V154 HydrophobicContact SD-CG1 4.36Å; M146-V154 HydrophobicContact SD-CG2 4.19Å; E150-V154 WeakPolarHBondContact O-CG2 3.43Å; E150-V154 PolarHBondContact O-N 3.41Å; E150-V154 VanDerWaalsContact O-N 3.07Å; V154-L158 VanDerWaalsContact O-CB 3.29Å; V154-L158 WeakPolarHBondContact O-CB 3.46Å; V154-L158 PolarHBondContact O-N 3.22Å; V154-F181 HydrophobicContact CB-CE2 3.73Å; V154-F181 HydrophobicContact CB-CZ 3.49Å; V154-F181 VanDerWaalsContact CB-CZ 3.49Å; V154-F181 HydrophobicContact CG1-CE1 4.44Å; V154-F181 HydrophobicContact CG1-CE2 4.02Å; V154-F181 HydrophobicContact CG1-CZ 3.41Å; V154-F181 VanDerWaalsContact CG1-CZ 3.41Å
155	A	88.9	Confident	90.7	Very high	6 Å²	6	40.6 Å²	40.6	5%	0.05	22%	0.224	C	C	.	.	H	α-helix	trans	-64.6	-42.6	175.2	0	0	0	0	0	112.4	A151 T153 L158 V159 L180 F181 V184	A151-A155 VanDerWaalsContact O-CB 3.27Å; A151-A155 WeakPolarHBondContact O-CB 3.35Å; A151-A155 PolarHBondContact O-N 2.83Å; T153-A155 VanDerWaalsContact C-N 3.34Å; T153-A155 PolarHBondContact O-N 2.78Å; A155-L158 PolarHBondContact O-N 3.39Å; A155-V159 VanDerWaalsContact O-CG2 3.29Å; A155-V159 WeakPolarHBondContact O-CG2 3.36Å; A155-V159 PolarHBondContact O-N 2.88Å; A155-L180 HydrophobicContact CB-CD2 3.52Å; A155-F181 HydrophobicContact CB-CE1 4.39Å; A155-F181 HydrophobicContact CB-CZ 4.25Å; A155-V184 HydrophobicContact CB-CG2 4.27Å
156	G	90.3	Very high	90.6	Very high	18 Å²	18	41.8 Å²	41.8	19%	0.186	22%	0.224	C	C	.	.	H	α-helix	trans	-60.9	-46.9	176.8	0	0	0	0	0	112.4	T152 T153 V159 Q160	T152-G156 PolarHBondContact O-N 3.03Å; T153-G156 PolarHBondContact O-N 3.07Å; G156-V159 PolarHBondContact O-N 3.05Å; G156-Q160 VanDerWaalsContact O-CB 3.23Å; G156-Q160 WeakPolarHBondContact O-CB 3.44Å; G156-Q160 PolarHBondContact O-N 3.37Å
157	V	91.2	Very high	90.6	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.024	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-45.5	177.1	171.3	0	0	0	0	111.2	L131 I144 M146 T153 V159 Q160 D161	L131-V157 HydrophobicContact CD2-CB 4.39Å; L131-V157 HydrophobicContact CD2-CG1 3.84Å; I144-V157 HydrophobicContact CB-CG1 3.91Å; I144-V157 HydrophobicContact CD1-CG1 3.81Å; I144-V157 HydrophobicContact CG1-CG1 4.46Å; I144-V157 HydrophobicContact CG2-CG1 3.47Å; I144-V157 VanDerWaalsContact CG2-CG1 3.47Å; M146-V157 HydrophobicContact CG-CG1 4.33Å; M146-V157 HydrophobicContact CG-CG2 4Å; M146-V157 HydrophobicContact SD-CB 3.97Å; M146-V157 HydrophobicContact SD-CG1 4.07Å; M146-V157 HydrophobicContact SD-CG2 3.87Å; T153-V157 VanDerWaalsContact O-CG2 3.32Å; T153-V157 WeakPolarHBondContact O-CG2 3.36Å; T153-V157 PolarHBondContact O-N 2.62Å; V157-V159 PolarHBondContact O-N 3.44Å; V157-Q160 PolarHBondContact O-N 3.2Å; V157-D161 WeakPolarHBondContact O-CB 3.48Å; V157-D161 PolarHBondContact O-N 2.75Å
158	L	90.6	Very high	90.6	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	25%	0.245	C	C	.	.	I	π-helix	trans	-62.6	-42.1	179.4	-170.3	69.3	0	0	0	112	V114 L131 V133 V154 A155 V162 F163 L172 F181	V114-L158 HydrophobicContact CG2-CD1 4.25Å; L131-L158 HydrophobicContact CD2-CB 4.45Å; L131-L158 HydrophobicContact CD2-CD1 4.45Å; V133-L158 HydrophobicContact CG1-CD1 4.36Å; V133-L158 HydrophobicContact CG2-CD1 3.76Å; V154-L158 VanDerWaalsContact O-CB 3.29Å; V154-L158 WeakPolarHBondContact O-CB 3.46Å; V154-L158 PolarHBondContact O-N 3.22Å; A155-L158 PolarHBondContact O-N 3.39Å; L158-V162 HydrophobicContact CD1-CB 4.12Å; L158-V162 HydrophobicContact CD1-CG1 4.38Å; L158-V162 HydrophobicContact CD1-CG2 4.18Å; L158-V162 WeakPolarHBondContact O-CA 3.17Å; L158-V162 VanDerWaalsContact O-CB 3.27Å; L158-V162 WeakPolarHBondContact O-CB 3.49Å; L158-V162 PolarHBondContact O-N 2.87Å; L158-F163 HydrophobicContact CD1-CE1 4.07Å; L158-F163 HydrophobicContact CD1-CZ 4.17Å; L158-F163 HydrophobicContact CD2-CE1 4.05Å; L158-F163 HydrophobicContact CD2-CE2 3.74Å; L158-F163 HydrophobicContact CD2-CZ 3.3Å; L158-F163 HydrophobicContact CG-CD1 4.39Å; L158-F163 HydrophobicContact CG-CD2 4.39Å; L158-F163 HydrophobicContact CG-CE1 3.75Å; L158-F163 HydrophobicContact CG-CE2 3.75Å; L158-F163 HydrophobicContact CG-CZ 3.42Å; L158-F163 VanDerWaalsContact CG-CZ 3.42Å; L158-F163 PolarHBondContact O-N 3.31Å; L158-L172 HydrophobicContact CD2-CD1 4.32Å; L158-L172 HydrophobicContact CD2-CD2 3.72Å; L158-F181 HydrophobicContact CD2-CE1 3.98Å
159	V	91.2	Very high	90.8	Very high	41 Å²	41	42.7 Å²	42.7	25%	0.248	24%	0.236	C	C	.	.	I	π-helix	trans	-66.6	-52.1	176.6	173.4	0	0	0	0	110.7	A155 G156 V157 F163 C164 V184 L188	A155-V159 VanDerWaalsContact O-CG2 3.29Å; A155-V159 WeakPolarHBondContact O-CG2 3.36Å; A155-V159 PolarHBondContact O-N 2.88Å; G156-V159 PolarHBondContact O-N 3.05Å; V157-V159 PolarHBondContact O-N 3.44Å; V159-F163 HydrophobicContact CB-CD2 4.42Å; V159-F163 HydrophobicContact CG2-CD2 3.92Å; V159-F163 HydrophobicContact CG2-CE2 4.39Å; V159-F163 PolarHBondContact O-N 3.49Å; V159-C164 WeakPolarHBondContact O-CB 3.49Å; V159-C164 PolarHBondContact O-N 2.58Å; V159-C164 PolarHBondContact O-SG 2.93Å; V159-V184 HydrophobicContact CG2-CG1 3.93Å; V159-L188 HydrophobicContact CG2-CD1 4.44Å
160	Q	92.5	Very high	91	Very high	41 Å²	41	43.6 Å²	43.6	19%	0.192	24%	0.241	C	C	.	.	I	π-helix	trans	-68.6	-48.3	-172.5	178.5	176.3	-22.5	0	0	113.1	G156 V157	G156-Q160 VanDerWaalsContact O-CB 3.23Å; G156-Q160 WeakPolarHBondContact O-CB 3.44Å; G156-Q160 PolarHBondContact O-N 3.37Å; V157-Q160 PolarHBondContact O-N 3.2Å
161	D	92.8	Very high	91.1	Very high	28 Å²	28	39.6 Å²	39.6	15%	0.15	22%	0.223	C	C	.	.	I	π-helix	trans	-96.9	-17	-169.1	-68	-59.6	0	0	0	113.2	I144 V157 R165	I144-D161 HydrophobicContact CD1-CB 3.63Å; I144-D161 HydrophobicContact CG1-CB 4.41Å; V157-D161 WeakPolarHBondContact O-CB 3.48Å; V157-D161 PolarHBondContact O-N 2.75Å; D161-R165 VanDerWaalsContact O-CD 3.26Å; D161-R165 WeakPolarHBondContact O-CD 3.46Å; D161-R165 IonicContact OD1-CZ 3.77Å; D161-R165 IonicContact OD1-NE 2.68Å; D161-R165 IonicContact OD1-NH2 3.64Å; D161-R165 PolarHBondContact OD1-NH2 3.41Å
162	V	92.9	Very high	91.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.213	C	C	.	.	I	π-helix	trans	-115.1	-62.1	-179.6	-177.6	0	0	0	0	111.3	W109 L112 V133 I144 L158 C164 R165 Y166	W109-V162 HydrophobicContact CH2-CG1 3.77Å; W109-V162 HydrophobicContact CZ2-CG1 3.52Å; L112-V162 HydrophobicContact CD1-CG1 4.2Å; V133-V162 HydrophobicContact CB-CG2 4.44Å; V133-V162 HydrophobicContact CG1-CG1 4.18Å; V133-V162 HydrophobicContact CG2-CG2 4.15Å; I144-V162 HydrophobicContact CD1-CG2 3.7Å; L158-V162 HydrophobicContact CD1-CB 4.12Å; L158-V162 HydrophobicContact CD1-CG1 4.38Å; L158-V162 HydrophobicContact CD1-CG2 4.18Å; L158-V162 WeakPolarHBondContact O-CA 3.17Å; L158-V162 VanDerWaalsContact O-CB 3.27Å; L158-V162 WeakPolarHBondContact O-CB 3.49Å; L158-V162 PolarHBondContact O-N 2.87Å; V162-C164 PolarHBondContact O-N 3.32Å; V162-R165 PolarHBondContact O-N 2.99Å; V162-Y166 HydrophobicContact CG1-CD2 4.33Å; V162-Y166 WeakPolarHBondContact O-CD2 3.38Å; V162-Y166 PolarHBondContact O-N 3.32Å
163	F	92.9	Very high	91.2	Very high	12 Å²	12	35.9 Å²	35.9	5%	0.053	20%	0.196	C	C	.	.	I	π-helix	trans	-68.2	-42	-172.1	-58.1	-22.5	0	0	0	113.3	L112 L158 V159 R165 G167 V168 P169 L172 L188 I190	L112-F163 HydrophobicContact CD1-CE1 4.21Å; L158-F163 HydrophobicContact CD1-CE1 4.07Å; L158-F163 HydrophobicContact CD1-CZ 4.17Å; L158-F163 HydrophobicContact CD2-CE1 4.05Å; L158-F163 HydrophobicContact CD2-CE2 3.74Å; L158-F163 HydrophobicContact CD2-CZ 3.3Å; L158-F163 HydrophobicContact CG-CD1 4.39Å; L158-F163 HydrophobicContact CG-CD2 4.39Å; L158-F163 HydrophobicContact CG-CE1 3.75Å; L158-F163 HydrophobicContact CG-CE2 3.75Å; L158-F163 HydrophobicContact CG-CZ 3.42Å; L158-F163 VanDerWaalsContact CG-CZ 3.42Å; L158-F163 PolarHBondContact O-N 3.31Å; V159-F163 HydrophobicContact CB-CD2 4.42Å; V159-F163 HydrophobicContact CG2-CD2 3.92Å; V159-F163 HydrophobicContact CG2-CE2 4.39Å; V159-F163 PolarHBondContact O-N 3.49Å; F163-R165 PolarHBondContact O-N 2.91Å; F163-G167 WeakPolarHBondContact CA-O 3.48Å; F163-G167 CarbonylContact O-C 3.44Å; F163-G167 WeakPolarHBondContact O-CA 3.34Å; F163-G167 PolarHBondContact O-N 2.84Å; F163-V168 HydrophobicContact CB-CG1 4.13Å; F163-V168 HydrophobicContact CG-CG1 4.29Å; F163-P169 HydrophobicContact CE1-CG 4.05Å; F163-L172 HydrophobicContact CZ-CD1 4.45Å; F163-L172 HydrophobicContact CZ-CD2 4.45Å; F163-L188 HydrophobicContact CD2-CD1 3.69Å; F163-L188 HydrophobicContact CE2-CD1 3.94Å; F163-I190 HydrophobicContact CD2-CD1 4.38Å; F163-I190 HydrophobicContact CE1-CD1 4.49Å; F163-I190 HydrophobicContact CE2-CD1 3.72Å; F163-I190 HydrophobicContact CZ-CD1 3.76Å
164	C	93.2	Very high	90.9	Very high	100 Å²	100	35.3 Å²	35.3	68%	0.676	19%	0.192	S	C	*	.	H	α-helix	trans	-68.4	-19	176.9	-69.9	0	0	0	0	113.4	V159 V162	V159-C164 WeakPolarHBondContact O-CB 3.49Å; V159-C164 PolarHBondContact O-N 2.58Å; V159-C164 PolarHBondContact O-SG 2.93Å; V162-C164 PolarHBondContact O-N 3.32Å
165	R	94.2	Very high	89.8	Confident	161 Å²	161	38.1 Å²	38.1	61%	0.608	21%	0.207	S	C	*	.	H	α-helix	trans	-96.4	-38.9	-178.7	-60.9	-165	-168.8	-170.6	7.2	113.2	D161 V162 F163	D161-R165 VanDerWaalsContact O-CD 3.26Å; D161-R165 WeakPolarHBondContact O-CD 3.46Å; D161-R165 IonicContact OD1-CZ 3.77Å; D161-R165 IonicContact OD1-NE 2.68Å; D161-R165 IonicContact OD1-NH2 3.64Å; D161-R165 PolarHBondContact OD1-NH2 3.41Å; V162-R165 PolarHBondContact O-N 2.99Å; F163-R165 PolarHBondContact O-N 2.91Å
166	Y	93.1	Very high	88.4	Confident	61 Å²	61	43.6 Å²	43.6	24%	0.239	23%	0.231	C	C	.	.	H	α-helix	trans	-118.3	-9.2	-171.2	-55	-68.9	0	0	0	113.8	W109 E142 V162 M255 F256	W109-Y166 AromaticContact CH2-CD2 3.77Å; W109-Y166 HydrophobicContact CH2-CD2 3.77Å; W109-Y166 AromaticContact CH2-CG 3.77Å; W109-Y166 HydrophobicContact CH2-CG 3.77Å; W109-Y166 HydrophobicContact CZ2-CD2 4.12Å; W109-Y166 HydrophobicContact CZ2-CG 4.04Å; W109-Y166 HydrophobicContact CZ3-CG 4.36Å; E142-Y166 HydrophobicContact CG-CE2 3.94Å; E142-Y166 PolarHBondContact OE1-OH 2.81Å; V162-Y166 HydrophobicContact CG1-CD2 4.33Å; V162-Y166 WeakPolarHBondContact O-CD2 3.38Å; V162-Y166 PolarHBondContact O-N 3.32Å; Y166-M255 HydrophobicContact CD1-CE 4.03Å; Y166-M255 HydrophobicContact CG-CE 4.44Å; Y166-F256 HydrophobicContact CE1-CZ 4.19Å
167	G	92.4	Very high	86.6	Confident	33 Å²	33	43.6 Å²	43.6	34%	0.34	23%	0.231	S	C	.	.			trans	98.4	173.7	-174.4	0	0	0	0	0	113.4	W109 F163	W109-G167 PolarHBondContact NE1-O 3.39Å; F163-G167 WeakPolarHBondContact CA-O 3.48Å; F163-G167 CarbonylContact O-C 3.44Å; F163-G167 WeakPolarHBondContact O-CA 3.34Å; F163-G167 PolarHBondContact O-N 2.84Å
168	V	93.2	Very high	85	Confident	78 Å²	78	45.4 Å²	45.4	47%	0.473	24%	0.244	S	C	.	.			trans	-89.4	137.5	177.2	-66.4	0	0	0	0	110.9	F163 L188 I190	F163-V168 HydrophobicContact CB-CG1 4.13Å; F163-V168 HydrophobicContact CG-CG1 4.29Å; V168-L188 HydrophobicContact CG1-CB 4.36Å; V168-L188 HydrophobicContact CG1-CD1 4.2Å; V168-L188 HydrophobicContact CG1-CD2 4.41Å; V168-I190 HydrophobicContact CB-CD1 4.22Å; V168-I190 HydrophobicContact CB-CG1 4.36Å; V168-I190 HydrophobicContact CG1-CD1 4.35Å
169	P	93.2	Very high	83.4	Confident	6 Å²	6	51 Å²	51	4%	0.039	27%	0.27	C	S	.	.			trans	-83.2	159.6	175.4	36.2	-39.1	0	0	0	112.4	W109 L112 F163 L172 I190	W109-P169 VanDerWaalsContact O-CA 3.27Å; W109-P169 WeakPolarHBondContact O-CA 3.48Å; W109-P169 VanDerWaalsContact O-CB 3.26Å; W109-P169 WeakPolarHBondContact O-CB 3.24Å; L112-P169 HydrophobicContact CB-CB 4.48Å; L112-P169 HydrophobicContact CB-CG 4.41Å; L112-P169 HydrophobicContact CD1-CB 3.98Å; L112-P169 HydrophobicContact CD1-CG 3.71Å; L112-P169 HydrophobicContact CG-CB 3.74Å; L112-P169 HydrophobicContact CG-CG 3.91Å; F163-P169 HydrophobicContact CE1-CG 4.05Å; P169-L172 HydrophobicContact CG-CD1 4.47Å; P169-I190 HydrophobicContact CG-CD1 4.47Å; P169-I190 HydrophobicContact CG-CG2 4.31Å
170	E	92.2	Very high	81.7	Confident	93 Å²	93	52.1 Å²	52.1	44%	0.435	28%	0.275	S	S	.	.	S	Bend	trans	-69.2	-40	171.6	-63.2	-169.2	155.4	0	0	112	Y107 Q110 K191	Y107-E170 WeakPolarHBondContact OH-CG 3.49Å; Y107-E170 PolarHBondContact OH-OE1 2.84Å; Y107-E170 PolarHBondContact OH-OE2 2.73Å; Q110-E170 WeakPolarHBondContact CG-OE2 3.48Å; Q110-E170 PolarHBondContact NE2-OE2 2.74Å; Q110-E170 WeakPolarHBondContact O-CB 3.32Å; Q110-E170 PolarHBondContact O-N 2.85Å; E170-K191 WeakPolarHBondContact O-CB 3.32Å; E170-K191 PolarHBondContact O-N 2.86Å
171	V	90.2	Very high	80.7	Confident	17 Å²	17	50.6 Å²	50.6	10%	0.103	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	126.2	-174.6	-178	0	0	0	0	110.8	Q110 R111 L112 K191 T193	Q110-V171 PolarHBondContact O-N 3.48Å; R111-V171 VanDerWaalsContact CA-O 3.31Å; R111-V171 WeakPolarHBondContact CA-O 3.45Å; R111-V171 HydrophobicContact CB-CB 4.29Å; R111-V171 HydrophobicContact CG-CB 4.21Å; R111-V171 HydrophobicContact CG-CG1 4.19Å; L112-V171 PolarHBondContact N-O 2.91Å; V171-K191 VanDerWaalsContact CA-O 3.29Å; V171-K191 WeakPolarHBondContact CA-O 3.32Å; V171-K191 HydrophobicContact CG2-CB 4.23Å; V171-T193 HydrophobicContact CG1-CG2 3.64Å
172	L	88.7	Confident	79.8	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	118.6	172.5	-168.4	71.5	0	0	0	109.9	L112 V114 L158 F163 P169 I190 K191 K192 T193	L112-L172 HydrophobicContact CB-CD1 3.83Å; V114-L172 HydrophobicContact CG2-CD1 3.46Å; V114-L172 VanDerWaalsContact CG2-CD1 3.46Å; V114-L172 HydrophobicContact CG2-CG 4.19Å; L158-L172 HydrophobicContact CD2-CD1 4.32Å; L158-L172 HydrophobicContact CD2-CD2 3.72Å; F163-L172 HydrophobicContact CZ-CD1 4.45Å; F163-L172 HydrophobicContact CZ-CD2 4.45Å; P169-L172 HydrophobicContact CG-CD1 4.47Å; L172-I190 HydrophobicContact CB-CG2 3.65Å; L172-K191 PolarHBondContact N-O 2.97Å; L172-K192 WeakPolarHBondContact O-CA 3.49Å; L172-T193 PolarHBondContact O-N 3.39Å; L172-T193 PolarHBondContact O-OG1 3.16Å
173	H	84.8	Confident	79.2	Confident	26 Å²	26	58.8 Å²	58.8	12%	0.12	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118.9	178.4	-166.6	69	0	0	0	110.3	L112 V113 V114 T193 T195	L112-H173 WeakPolarHBondContact O-CB 3.36Å; L112-H173 PolarHBondContact O-N 3.22Å; V113-H173 HydrophobicContact CG2-CB 4.24Å; V114-H173 PolarHBondContact N-O 3.12Å; H173-T193 WeakPolarHBondContact CA-OG1 3.2Å; H173-T193 PolarHBondContact ND1-OG1 2.8Å; H173-T195 PolarHBondContact CE1-N 2.82Å; H173-T195 WeakPolarHBondContact NE2-CG2 3.34Å
174	T	81	Confident	78.7	Confident	9 Å²	9	60 Å²	60	6%	0.055	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	135	178	-179.6	0	0	0	0	111.8	Q176 K192 T193	T174-Q176 PolarHBondContact OG1-N 2.84Å; T174-Q176 PolarHBondContact OG1-O 2.81Å; T174-K192 VanDerWaalsContact CG2-CE 3.46Å; T174-T193 PolarHBondContact N-O 3.13Å; T174-T193 VanDerWaalsContact N-O 3.15Å
175	D	66.7	Low	78.3	Confident	62 Å²	62	55.4 Å²	55.4	33%	0.332	29%	0.285	S	S	.	.	S	Bend	trans	-74.8	-29	178.1	-74.1	-6.7	0	0	0	112.1	T195 N203	D175-T195 VanDerWaalsContact CG-OG1 3.28Å; D175-T195 WeakPolarHBondContact OD1-CB 3.41Å; D175-T195 WeakPolarHBondContact OD1-CG2 3.42Å; D175-T195 PolarHBondContact OD1-OG1 2.83Å; D175-N203 PolarHBondContact OD2-ND2 3.3Å; D175-N203 VanDerWaalsContact OD2-ND2 3.12Å
176	Q	58.5	Low	77.9	Confident	121 Å²	121	54.8 Å²	54.8	57%	0.565	29%	0.289	S	S	*	.			trans	-114.9	97.6	-179.9	-63.6	-158	16.4	0	0	111.2	T174	T174-Q176 PolarHBondContact OG1-N 2.84Å; T174-Q176 PolarHBondContact OG1-O 2.81Å
177	G	53.8	Low	77.6	Confident	18 Å²	18	59.8 Å²	59.8	19%	0.186	32%	0.315	C	S	.	.			trans	-110.9	104.4	177	0	0	0	0	0	113.5	R194	G177-R194 PolarHBondContact O-NH1 2.85Å; G177-R194 PolarHBondContact O-NH2 2.82Å
178	S	57.5	Low	77.3	Confident	43 Å²	43	61.6 Å²	61.6	30%	0.301	32%	0.316	S	S	.	.			trans	-68.5	164.8	159.1	70	0	0	0	0	111.1	A151 L180 F181	A151-S178 WeakPolarHBondContact CB-OG 3.47Å; S178-L180 VanDerWaalsContact C-N 3.3Å; S178-L180 PolarHBondContact O-N 2.99Å; S178-F181 PolarHBondContact O-N 3.01Å
179	Q	56.2	Low	77	Confident	120 Å²	120	60.9 Å²	60.9	56%	0.561	33%	0.325	S	S	*	.	H	α-helix	trans	-61	-36.8	175.1	-74.1	-179.6	-4.1	0	0	112.4	F181 Q182 N183	Q179-F181 VanDerWaalsContact C-N 3.28Å; Q179-F181 PolarHBondContact O-N 2.96Å; Q179-Q182 WeakPolarHBondContact O-CA 3.49Å; Q179-Q182 WeakPolarHBondContact O-CB 3.25Å; Q179-Q182 PolarHBondContact O-N 3.43Å; Q179-N183 PolarHBondContact O-N 3.39Å; Q179-N183 PolarHBondContact O-OD1 2.81Å
180	L	55.4	Low	76.8	Confident	65 Å²	65	61 Å²	61	34%	0.34	33%	0.325	S	S	.	.	H	α-helix	trans	-60.4	-37.3	-178	-177.3	136.9	0	0	0	112.8	A151 T152 A155 S178 Q182 N183 V184	A151-L180 HydrophobicContact CB-CB 4.07Å; A151-L180 HydrophobicContact CB-CD2 4.3Å; A151-L180 WeakPolarHBondContact O-CD2 3.4Å; T152-L180 HydrophobicContact CG2-CD1 3.55Å; A155-L180 HydrophobicContact CB-CD2 3.52Å; S178-L180 VanDerWaalsContact C-N 3.3Å; S178-L180 PolarHBondContact O-N 2.99Å; L180-Q182 PolarHBondContact O-N 3.01Å; L180-N183 PolarHBondContact O-N 2.79Å; L180-V184 HydrophobicContact CD2-CG2 4.48Å; L180-V184 PolarHBondContact O-N 2.65Å; L180-V184 VanDerWaalsContact O-N 3.13Å
181	F	71.8	Confident	76.6	Confident	9 Å²	9	63.8 Å²	63.8	4%	0.039	34%	0.335	C	S	.	.	H	α-helix	trans	-62.2	-33.3	172.8	-94.3	-82.5	0	0	0	113.3	V154 A155 L158 S178 Q179 N183 C185	V154-F181 HydrophobicContact CB-CE2 3.73Å; V154-F181 HydrophobicContact CB-CZ 3.49Å; V154-F181 VanDerWaalsContact CB-CZ 3.49Å; V154-F181 HydrophobicContact CG1-CE1 4.44Å; V154-F181 HydrophobicContact CG1-CE2 4.02Å; V154-F181 HydrophobicContact CG1-CZ 3.41Å; V154-F181 VanDerWaalsContact CG1-CZ 3.41Å; A155-F181 HydrophobicContact CB-CE1 4.39Å; A155-F181 HydrophobicContact CB-CZ 4.25Å; L158-F181 HydrophobicContact CD2-CE1 3.98Å; S178-F181 PolarHBondContact O-N 3.01Å; Q179-F181 VanDerWaalsContact C-N 3.28Å; Q179-F181 PolarHBondContact O-N 2.96Å; F181-N183 VanDerWaalsContact C-N 3.33Å; F181-C185 WeakPolarHBondContact O-CB 3.44Å; F181-C185 PolarHBondContact O-N 3.22Å; F181-C185 PolarHBondContact O-SG 2.86Å
182	Q	74.6	Confident	76.2	Confident	101 Å²	101	65 Å²	65	47%	0.472	34%	0.34	S	S	.	.	H	α-helix	trans	-68.6	-39.1	-178.8	-157.5	162.2	-15.5	0	0	110.2	Q179 L180 C185 Q186	Q179-Q182 WeakPolarHBondContact O-CA 3.49Å; Q179-Q182 WeakPolarHBondContact O-CB 3.25Å; Q179-Q182 PolarHBondContact O-N 3.43Å; L180-Q182 PolarHBondContact O-N 3.01Å; Q182-C185 PolarHBondContact O-N 2.83Å; Q182-Q186 VanDerWaalsContact O-CB 3.28Å; Q182-Q186 WeakPolarHBondContact O-CB 3.45Å; Q182-Q186 PolarHBondContact O-N 3.44Å
183	N	79.4	Confident	75.8	Confident	98 Å²	98	67.1 Å²	67.1	52%	0.524	35%	0.352	S	S	.	.	H	α-helix	trans	-64.7	-48.3	174.7	-62.1	8.1	0	0	0	111.6	Q179 L180 F181 C185 Q186 E187	Q179-N183 PolarHBondContact O-N 3.39Å; Q179-N183 PolarHBondContact O-OD1 2.81Å; L180-N183 PolarHBondContact O-N 2.79Å; F181-N183 VanDerWaalsContact C-N 3.33Å; N183-C185 VanDerWaalsContact C-N 3.33Å; N183-C185 PolarHBondContact O-N 3.32Å; N183-Q186 PolarHBondContact O-N 3.4Å; N183-Q186 VanDerWaalsContact O-N 3.13Å; N183-E187 WeakPolarHBondContact O-CG 3.34Å; N183-E187 PolarHBondContact O-N 3Å
184	V	82.5	Confident	75.1	Confident	38 Å²	38	71.9 Å²	71.9	23%	0.23	37%	0.369	C	S	.	.	H	α-helix	trans	-60.9	-42.8	177.9	174.9	0	0	0	0	111.4	A155 V159 L180 Q186 L188	A155-V184 HydrophobicContact CB-CG2 4.27Å; V159-V184 HydrophobicContact CG2-CG1 3.93Å; L180-V184 HydrophobicContact CD2-CG2 4.48Å; L180-V184 PolarHBondContact O-N 2.65Å; L180-V184 VanDerWaalsContact O-N 3.13Å; V184-Q186 VanDerWaalsContact C-N 3.34Å; V184-L188 HydrophobicContact CG1-CD1 3.95Å; V184-L188 WeakPolarHBondContact O-CB 3.29Å; V184-L188 WeakPolarHBondContact O-CG 3.36Å; V184-L188 PolarHBondContact O-N 3.49Å; V184-L188 VanDerWaalsContact O-N 3.1Å
185	C	85.1	Confident	74.3	Confident	3 Å²	3	72.9 Å²	72.9	2%	0.02	38%	0.376	C	S	.	.	H	α-helix	trans	-62.8	-41.5	174.8	-72.4	0	0	0	0	111.9	F181 Q182 N183 L188 G189 I190 K192	F181-C185 WeakPolarHBondContact O-CB 3.44Å; F181-C185 PolarHBondContact O-N 3.22Å; F181-C185 PolarHBondContact O-SG 2.86Å; Q182-C185 PolarHBondContact O-N 2.83Å; N183-C185 VanDerWaalsContact C-N 3.33Å; N183-C185 PolarHBondContact O-N 3.32Å; C185-L188 PolarHBondContact O-N 3.35Å; C185-G189 CarbonylContact O-C 3.47Å; C185-G189 PolarHBondContact O-N 3.09Å; C185-G189 VanDerWaalsContact O-N 3.08Å; C185-I190 HydrophobicContact CB-CB 4.07Å; C185-I190 WeakPolarHBondContact CB-O 3.27Å; C185-I190 PolarHBondContact O-N 2.77Å; C185-K192 HydrophobicContact CB-CB 4.32Å
186	Q	85.5	Confident	73.6	Confident	148 Å²	148	70.9 Å²	70.9	69%	0.692	37%	0.366	S	S	*	.	H	α-helix	trans	-64.5	-45.9	179.3	-177.6	175.1	-2.9	0	0	112	Q182 N183 V184 L188 G189	Q182-Q186 VanDerWaalsContact O-CB 3.28Å; Q182-Q186 WeakPolarHBondContact O-CB 3.45Å; Q182-Q186 PolarHBondContact O-N 3.44Å; N183-Q186 PolarHBondContact O-N 3.4Å; N183-Q186 VanDerWaalsContact O-N 3.13Å; V184-Q186 VanDerWaalsContact C-N 3.34Å; Q186-L188 VanDerWaalsContact C-N 3.3Å; Q186-L188 PolarHBondContact O-N 2.88Å; Q186-G189 PolarHBondContact O-N 3.34Å; Q186-G189 VanDerWaalsContact O-N 3.14Å
187	E	86.9	Confident	73.2	Confident	167 Å²	167	68.7 Å²	68.7	78%	0.78	36%	0.362	S	S	*	.	H	α-helix	trans	-60.7	-38.3	176.8	-71.9	-66.7	162.5	0	0	112.3	N183 G189	N183-E187 WeakPolarHBondContact O-CG 3.34Å; N183-E187 PolarHBondContact O-N 3Å; E187-G189 VanDerWaalsContact C-N 3.32Å
188	L	86.9	Confident	72.8	Confident	70 Å²	70	73.3 Å²	73.3	37%	0.366	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	3.1	178.5	-63.8	176.4	0	0	0	113.7	V159 F163 V168 V184 C185 Q186 I190	V159-L188 HydrophobicContact CG2-CD1 4.44Å; F163-L188 HydrophobicContact CD2-CD1 3.69Å; F163-L188 HydrophobicContact CE2-CD1 3.94Å; V168-L188 HydrophobicContact CG1-CB 4.36Å; V168-L188 HydrophobicContact CG1-CD1 4.2Å; V168-L188 HydrophobicContact CG1-CD2 4.41Å; V184-L188 HydrophobicContact CG1-CD1 3.95Å; V184-L188 WeakPolarHBondContact O-CB 3.29Å; V184-L188 WeakPolarHBondContact O-CG 3.36Å; V184-L188 PolarHBondContact O-N 3.49Å; V184-L188 VanDerWaalsContact O-N 3.1Å; C185-L188 PolarHBondContact O-N 3.35Å; Q186-L188 VanDerWaalsContact C-N 3.3Å; Q186-L188 PolarHBondContact O-N 2.88Å; L188-I190 HydrophobicContact CB-CD1 3.71Å; L188-I190 HydrophobicContact CB-CG1 3.79Å; L188-I190 HydrophobicContact CD1-CD1 3.94Å; L188-I190 PolarHBondContact O-N 3.46Å
189	G	87	Confident	72.4	Confident	63 Å²	63	72.7 Å²	72.7	65%	0.649	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	16.9	-177.4	0	0	0	0	0	115.1	C185 Q186 E187	C185-G189 CarbonylContact O-C 3.47Å; C185-G189 PolarHBondContact O-N 3.09Å; C185-G189 VanDerWaalsContact O-N 3.08Å; Q186-G189 PolarHBondContact O-N 3.34Å; Q186-G189 VanDerWaalsContact O-N 3.14Å; E187-G189 VanDerWaalsContact C-N 3.32Å
190	I	88.4	Confident	71.9	Confident	9 Å²	9	70.2 Å²	70.2	5%	0.046	36%	0.361	C	S	.	.			trans	-84	126.8	-176.4	-55.6	172.6	0	0	0	110.5	F163 V168 P169 L172 C185 L188 K192	F163-I190 HydrophobicContact CD2-CD1 4.38Å; F163-I190 HydrophobicContact CE1-CD1 4.49Å; F163-I190 HydrophobicContact CE2-CD1 3.72Å; F163-I190 HydrophobicContact CZ-CD1 3.76Å; V168-I190 HydrophobicContact CB-CD1 4.22Å; V168-I190 HydrophobicContact CB-CG1 4.36Å; V168-I190 HydrophobicContact CG1-CD1 4.35Å; P169-I190 HydrophobicContact CG-CD1 4.47Å; P169-I190 HydrophobicContact CG-CG2 4.31Å; L172-I190 HydrophobicContact CB-CG2 3.65Å; C185-I190 HydrophobicContact CB-CB 4.07Å; C185-I190 WeakPolarHBondContact CB-O 3.27Å; C185-I190 PolarHBondContact O-N 2.77Å; L188-I190 HydrophobicContact CB-CD1 3.71Å; L188-I190 HydrophobicContact CB-CG1 3.79Å; L188-I190 HydrophobicContact CD1-CD1 3.94Å; L188-I190 PolarHBondContact O-N 3.46Å; I190-K192 PolarHBondContact O-N 3.36Å
191	K	87.2	Confident	71.4	Confident	151 Å²	151	69.5 Å²	69.5	66%	0.657	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	106.6	174.1	-66.2	175.9	-178.2	170	0	110.3	E170 V171 L172	E170-K191 WeakPolarHBondContact O-CB 3.32Å; E170-K191 PolarHBondContact O-N 2.86Å; V171-K191 VanDerWaalsContact CA-O 3.29Å; V171-K191 WeakPolarHBondContact CA-O 3.32Å; V171-K191 HydrophobicContact CG2-CB 4.23Å; L172-K191 PolarHBondContact N-O 2.97Å
192	K	82.6	Confident	70.4	Confident	44 Å²	44	71.9 Å²	71.9	19%	0.191	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	124.7	176.3	-174.8	173.6	-178.4	162.5	0	111.6	L172 T174 C185 I190	L172-K192 WeakPolarHBondContact O-CA 3.49Å; T174-K192 VanDerWaalsContact CG2-CE 3.46Å; C185-K192 HydrophobicContact CB-CB 4.32Å; I190-K192 PolarHBondContact O-N 3.36Å
193	T	80.2	Confident	69.6	Low	44 Å²	44	67.6 Å²	67.6	27%	0.27	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	153.3	171.4	61	0	0	0	0	110.6	V171 L172 H173 T174	V171-T193 HydrophobicContact CG1-CG2 3.64Å; L172-T193 PolarHBondContact O-N 3.39Å; L172-T193 PolarHBondContact O-OG1 3.16Å; H173-T193 WeakPolarHBondContact CA-OG1 3.2Å; H173-T193 PolarHBondContact ND1-OG1 2.8Å; T174-T193 PolarHBondContact N-O 3.13Å; T174-T193 VanDerWaalsContact N-O 3.15Å
194	R	69.4	Low	69	Low	126 Å²	126	63.4 Å²	63.4	48%	0.475	35%	0.349	S	S	.	.			trans	-128.5	147.5	176.2	-60.9	-175.2	-174.8	-151	-3	109.1	G177	G177-R194 PolarHBondContact O-NH1 2.85Å; G177-R194 PolarHBondContact O-NH2 2.82Å
195	T	64.4	Low	68.3	Low	31 Å²	31	65.5 Å²	65.5	19%	0.19	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-65.2	148.6	161.4	53	0	0	0	0	109.7	H173 D175	H173-T195 PolarHBondContact CE1-N 2.82Å; H173-T195 WeakPolarHBondContact NE2-CG2 3.34Å; D175-T195 VanDerWaalsContact CG-OG1 3.28Å; D175-T195 WeakPolarHBondContact OD1-CB 3.41Å; D175-T195 WeakPolarHBondContact OD1-CG2 3.42Å; D175-T195 PolarHBondContact OD1-OG1 2.83Å
196	T	52.8	Low	67.6	Low	20 Å²	20	65.5 Å²	65.5	12%	0.123	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-65.5	134.1	164.1	55.2	0	0	0	0	108.3	Y198 H199 T358 V372	T196-Y198 PolarHBondContact O-N 2.93Å; T196-H199 PolarHBondContact O-N 2.62Å; T196-H199 WeakPolarHBondContact OG1-CB 3.39Å; T196-T358 HydrophobicContact CG2-CG2 3.59Å; T196-V372 HydrophobicContact CG2-CG1 4.25Å
197	P	49.1	Very low	67.4	Low	74 Å²	74	62.9 Å²	62.9	48%	0.481	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	127.5	179.1	-27.7	33.7	0	0	0	111.8	R377	P197-R377 PolarHBondContact O-NH1 3.2Å
198	Y	46.4	Very low	67.2	Low	116 Å²	116	61.3 Å²	61.3	46%	0.455	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	22.7	177.8	-46.1	-83.1	0	0	0	117.1	T196 P200 P330 R331	T196-Y198 PolarHBondContact O-N 2.93Å; Y198-P200 VanDerWaalsContact C-CD 3.41Å; Y198-P200 VanDerWaalsContact O-CD 3.26Å; Y198-P200 WeakPolarHBondContact O-CD 3.4Å; Y198-P330 HydrophobicContact CD1-CG 4.1Å; Y198-P330 HydrophobicContact CE1-CG 4.24Å; Y198-P330 HydrophobicContact CG-CG 4.24Å; Y198-R331 PolarHBondContact OH-NE 3.03Å; Y198-R331 PolarHBondContact OH-NH2 3.43Å; Y198-R331 VanDerWaalsContact OH-NH2 3.17Å
199	H	49.4	Very low	67	Low	30 Å²	30	58.4 Å²	58.4	14%	0.139	32%	0.316	C	S	.	.			trans	-112.5	76.3	168.4	-155	-95	0	0	0	111.8	T196 S201 H374 D376	T196-H199 PolarHBondContact O-N 2.62Å; T196-H199 WeakPolarHBondContact OG1-CB 3.39Å; H199-S201 PolarHBondContact CE1-OG 3.01Å; H199-S201 PolarHBondContact ND1-OG 2.82Å; H199-S201 PolarHBondContact O-N 2.9Å; H199-H374 HydrophobicContact CB-CB 4.21Å; H199-H374 AromaticContact CD2-CD2 3.67Å; H199-H374 AromaticContact CD2-CE1 3.6Å; H199-H374 AromaticContact CD2-CG 3.31Å; H199-H374 AromaticContact CD2-ND1 3.26Å; H199-H374 PolarHBondContact CD2-ND1 2.9Å; H199-H374 VanDerWaalsContact CD2-ND1 3.26Å; H199-H374 AromaticContact CD2-NE2 3.84Å; H199-H374 AromaticContact CE1-CD2 3.67Å; H199-H374 AromaticContact CE1-CE1 3.47Å; H199-H374 PolarHBondContact CE1-CE1 3.2Å; H199-H374 VanDerWaalsContact CE1-CE1 3.47Å; H199-H374 AromaticContact CE1-ND1 3.94Å; H199-H374 AromaticContact CE1-NE2 3.28Å; H199-H374 PolarHBondContact CE1-NE2 3.34Å; H199-H374 VanDerWaalsContact CE1-NE2 3.28Å; H199-H374 AromaticContact CG-CD2 3.73Å; H199-H374 AromaticContact CG-CG 3.71Å; H199-H374 AromaticContact ND1-CD2 3.79Å; H199-H374 AromaticContact ND1-NE2 3.85Å; H199-H374 AromaticContact NE2-CD2 3.67Å; H199-H374 AromaticContact NE2-CE1 3.02Å; H199-H374 PolarHBondContact NE2-CE1 3.31Å; H199-H374 AromaticContact NE2-CG 3.59Å; H199-H374 AromaticContact NE2-ND1 3.19Å; H199-H374 PolarHBondContact NE2-ND1 2.75Å; H199-H374 VanDerWaalsContact NE2-ND1 3.19Å; H199-H374 AromaticContact NE2-NE2 3.33Å; H199-H374 PolarHBondContact NE2-NE2 2.9Å; H199-D376 IonicContact CD2-OD2 2.81Å; H199-D376 IonicContact NE2-OD2 3.62Å; H199-D376 PolarHBondContact NE2-OD2 3.41Å
200	P	44.7	Very low	66.9	Low	68 Å²	68	55.9 Å²	55.9	44%	0.442	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-67.4	-15.9	-175	26.2	-34.4	0	0	0	113.8	Y198 G202 N203 G204 E207	Y198-P200 VanDerWaalsContact C-CD 3.41Å; Y198-P200 VanDerWaalsContact O-CD 3.26Å; Y198-P200 WeakPolarHBondContact O-CD 3.4Å; P200-G202 PolarHBondContact O-N 2.93Å; P200-N203 CarbonylContact O-C 3.58Å; P200-N203 VanDerWaalsContact O-C 3.28Å; P200-N203 VanDerWaalsContact O-CA 3.27Å; P200-N203 WeakPolarHBondContact O-CA 3.48Å; P200-N203 WeakPolarHBondContact O-CB 3.29Å; P200-N203 PolarHBondContact O-N 3.33Å; P200-G204 PolarHBondContact O-N 3.03Å; P200-E207 WeakPolarHBondContact CB-OE1 3.35Å
201	S	45	Very low	66.9	Low	49 Å²	49	63.4 Å²	63.4	34%	0.343	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-65	-25.8	-175.6	44.6	0	0	0	0	114.1	H199 N203 G204	H199-S201 PolarHBondContact CE1-OG 3.01Å; H199-S201 PolarHBondContact ND1-OG 2.82Å; H199-S201 PolarHBondContact O-N 2.9Å; S201-N203 VanDerWaalsContact C-N 3.28Å; S201-G204 PolarHBondContact O-N 3.32Å
202	G	50.1	Low	67.1	Low	60 Å²	60	59.4 Å²	59.4	62%	0.619	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-67.6	-30.3	168.1	0	0	0	0	0	112.8	P200	P200-G202 PolarHBondContact O-N 2.93Å
203	N	59.1	Low	67.4	Low	10 Å²	10	57.5 Å²	57.5	5%	0.053	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-6.2	177.8	-152.8	26.3	0	0	0	113.3	D175 P200 S201 Q205 A206 E207	D175-N203 PolarHBondContact OD2-ND2 3.3Å; D175-N203 VanDerWaalsContact OD2-ND2 3.12Å; P200-N203 CarbonylContact O-C 3.58Å; P200-N203 VanDerWaalsContact O-C 3.28Å; P200-N203 VanDerWaalsContact O-CA 3.27Å; P200-N203 WeakPolarHBondContact O-CA 3.48Å; P200-N203 WeakPolarHBondContact O-CB 3.29Å; P200-N203 PolarHBondContact O-N 3.33Å; S201-N203 VanDerWaalsContact C-N 3.28Å; N203-Q205 PolarHBondContact O-N 3.4Å; N203-A206 CarbonylContact O-C 3.54Å; N203-A206 WeakPolarHBondContact O-CA 3.32Å; N203-A206 WeakPolarHBondContact O-CB 3.34Å; N203-A206 PolarHBondContact O-N 3.39Å; N203-A206 VanDerWaalsContact OD1-CB 3.24Å; N203-A206 WeakPolarHBondContact OD1-CB 3.23Å; N203-E207 HydrophobicContact CB-CG 4.47Å; N203-E207 PolarHBondContact O-N 3.48Å
204	G	65.7	Low	67.8	Low	11 Å²	11	59.2 Å²	59.2	11%	0.113	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-17.9	-169.4	0	0	0	0	0	115.3	P200 S201 R208	P200-G204 PolarHBondContact O-N 3.03Å; S201-G204 PolarHBondContact O-N 3.32Å; G204-R208 WeakPolarHBondContact O-CB 3.18Å; G204-R208 WeakPolarHBondContact O-CG 3.49Å; G204-R208 PolarHBondContact O-N 3.21Å; G204-R208 PolarHBondContact O-NE 3.16Å
205	Q	69.4	Low	68.9	Low	81 Å²	81	56.9 Å²	56.9	38%	0.379	29%	0.294	S	S	.	.	H	α-helix	trans	-73.7	-46.3	167.2	-71.6	-171	30.5	0	0	111.2	N203 R208 M209	N203-Q205 PolarHBondContact O-N 3.4Å; Q205-R208 PolarHBondContact O-N 3.37Å; Q205-M209 WeakPolarHBondContact O-CB 3.45Å; Q205-M209 PolarHBondContact O-N 3.37Å
206	A	70.1	Confident	70.2	Confident	4 Å²	4	57.7 Å²	57.7	3%	0.033	30%	0.296	C	S	.	.	H	α-helix	trans	-65.5	-38.7	175.6	0	0	0	0	0	111.3	V113 M134 N203 R208 M209 N210	V113-A206 HydrophobicContact CG1-CB 3.98Å; M134-A206 HydrophobicContact CE-CB 3.94Å; N203-A206 CarbonylContact O-C 3.54Å; N203-A206 WeakPolarHBondContact O-CA 3.32Å; N203-A206 WeakPolarHBondContact O-CB 3.34Å; N203-A206 PolarHBondContact O-N 3.39Å; N203-A206 VanDerWaalsContact OD1-CB 3.24Å; N203-A206 WeakPolarHBondContact OD1-CB 3.23Å; A206-R208 PolarHBondContact O-N 3.26Å; A206-M209 HydrophobicContact CB-CE 4.47Å; A206-M209 PolarHBondContact O-N 2.86Å; A206-N210 VanDerWaalsContact O-CB 3.3Å; A206-N210 WeakPolarHBondContact O-CB 3.47Å; A206-N210 PolarHBondContact O-N 3.16Å; A206-N210 PolarHBondContact O-OD1 2.69Å
207	E	79.8	Confident	71.9	Confident	92 Å²	92	56.9 Å²	56.9	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-61.9	-44.4	175.5	-68.7	178.9	175.4	0	0	112.3	P200 N203 N210 R211	P200-E207 WeakPolarHBondContact CB-OE1 3.35Å; N203-E207 HydrophobicContact CB-CG 4.47Å; N203-E207 PolarHBondContact O-N 3.48Å; E207-N210 PolarHBondContact O-N 3.08Å; E207-R211 WeakPolarHBondContact O-CB 3.42Å; E207-R211 PolarHBondContact O-N 2.78Å
208	R	82.8	Confident	73.8	Confident	135 Å²	135	56.4 Å²	56.4	51%	0.509	29%	0.294	S	S	.	.	H	α-helix	trans	-64.7	-42.8	176.4	-84.3	-177.1	-87.3	162.5	-13.2	111.8	G204 Q205 A206 R211 T212	G204-R208 WeakPolarHBondContact O-CB 3.18Å; G204-R208 WeakPolarHBondContact O-CG 3.49Å; G204-R208 PolarHBondContact O-N 3.21Å; G204-R208 PolarHBondContact O-NE 3.16Å; Q205-R208 PolarHBondContact O-N 3.37Å; A206-R208 PolarHBondContact O-N 3.26Å; R208-R211 WeakPolarHBondContact O-CB 3.34Å; R208-R211 PolarHBondContact O-N 3.47Å; R208-T212 PolarHBondContact O-N 2.93Å; R208-T212 PolarHBondContact O-OG1 3.1Å
209	M	83.8	Confident	75.8	Confident	9 Å²	9	58 Å²	58	4%	0.044	30%	0.303	C	S	.	.	H	α-helix	trans	-61.3	-49.9	174.9	172.7	-161.8	77.2	0	0	111.2	I132 M134 V141 Q205 A206 R211 T212 I213 Y239	I132-M209 HydrophobicContact CG2-CE 3.67Å; M134-M209 HydrophobicContact CB-CE 4Å; M134-M209 HydrophobicContact CB-SD 3.84Å; M134-M209 HydrophobicContact CE-CE 4.41Å; M134-M209 HydrophobicContact CE-SD 4.19Å; M134-M209 HydrophobicContact CG-SD 3.76Å; M134-M209 HydrophobicContact SD-CE 4.17Å; M134-M209 HydrophobicContact SD-SD 3.25Å; V141-M209 HydrophobicContact CB-SD 4.48Å; V141-M209 HydrophobicContact CG1-SD 4.38Å; V141-M209 HydrophobicContact CG2-CE 4.35Å; V141-M209 HydrophobicContact CG2-CG 4.21Å; V141-M209 HydrophobicContact CG2-SD 3.27Å; V141-M209 WeakPolarHBondContact CG2-SD 3.47Å; Q205-M209 WeakPolarHBondContact O-CB 3.45Å; Q205-M209 PolarHBondContact O-N 3.37Å; A206-M209 HydrophobicContact CB-CE 4.47Å; A206-M209 PolarHBondContact O-N 2.86Å; M209-R211 PolarHBondContact O-N 2.85Å; M209-T212 WeakPolarHBondContact O-CA 3.39Å; M209-T212 WeakPolarHBondContact O-CB 3.43Å; M209-T212 PolarHBondContact O-N 2.9Å; M209-I213 HydrophobicContact CE-CD1 4.37Å; M209-I213 HydrophobicContact CG-CD1 3.89Å; M209-I213 HydrophobicContact CG-CG1 4.49Å; M209-I213 WeakPolarHBondContact O-CG1 3.46Å; M209-I213 PolarHBondContact O-N 3.12Å; M209-I213 HydrophobicContact SD-CD1 4.43Å; M209-Y239 HydrophobicContact CG-CE2 4.46Å
210	N	85.4	Confident	77.5	Confident	10 Å²	10	58.3 Å²	58.3	5%	0.053	31%	0.308	C	S	.	.	H	α-helix	trans	-55	-44.5	177.3	-72	-5.4	0	0	0	110	D115 A206 E207 T212 I213 W214	D115-N210 PolarHBondContact OD2-ND2 2.8Å; A206-N210 VanDerWaalsContact O-CB 3.3Å; A206-N210 WeakPolarHBondContact O-CB 3.47Å; A206-N210 PolarHBondContact O-N 3.16Å; A206-N210 PolarHBondContact O-OD1 2.69Å; E207-N210 PolarHBondContact O-N 3.08Å; N210-T212 PolarHBondContact O-N 3.13Å; N210-I213 PolarHBondContact O-N 2.95Å; N210-W214 WeakPolarHBondContact O-CB 3.25Å; N210-W214 PolarHBondContact O-N 3.39Å
211	R	88.5	Confident	79.1	Confident	167 Å²	167	57.3 Å²	57.3	63%	0.63	30%	0.299	S	S	*	.	H	α-helix	trans	-59.8	-43	174.7	-175.9	179.1	61.6	-179.8	2.8	112.7	E207 R208 M209 W214 D215	E207-R211 WeakPolarHBondContact O-CB 3.42Å; E207-R211 PolarHBondContact O-N 2.78Å; R208-R211 WeakPolarHBondContact O-CB 3.34Å; R208-R211 PolarHBondContact O-N 3.47Å; M209-R211 PolarHBondContact O-N 2.85Å; R211-W214 PolarHBondContact O-N 2.74Å; R211-D215 WeakPolarHBondContact O-CB 2.99Å; R211-D215 PolarHBondContact O-N 2.74Å
212	T	90.7	Very high	80	Confident	66 Å²	66	62.3 Å²	62.3	41%	0.405	32%	0.32	S	S	.	.	H	α-helix	trans	-61.9	-44.3	175	-63.1	0	0	0	0	111.4	R208 M209 N210 W214 D215 M216 Y239	R208-T212 PolarHBondContact O-N 2.93Å; R208-T212 PolarHBondContact O-OG1 3.1Å; M209-T212 WeakPolarHBondContact O-CA 3.39Å; M209-T212 WeakPolarHBondContact O-CB 3.43Å; M209-T212 PolarHBondContact O-N 2.9Å; N210-T212 PolarHBondContact O-N 3.13Å; T212-W214 VanDerWaalsContact C-N 3.32Å; T212-W214 PolarHBondContact O-N 3.41Å; T212-D215 PolarHBondContact O-N 3.48Å; T212-M216 HydrophobicContact CG2-CG 4.46Å; T212-M216 HydrophobicContact CG2-SD 4.08Å; T212-M216 VanDerWaalsContact O-CG 3.26Å; T212-M216 WeakPolarHBondContact O-CG 3.49Å; T212-M216 PolarHBondContact O-N 3.32Å; T212-Y239 HydrophobicContact CG2-CD2 4.43Å; T212-Y239 HydrophobicContact CG2-CE2 4.34Å
213	I	88.9	Confident	80.6	Confident	4 Å²	4	68.4 Å²	68.4	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-62	-42.5	176.9	-67.7	169.8	0	0	0	110.7	I132 V141 M209 N210 M216 L217 M236 Y239	I132-I213 HydrophobicContact CG2-CD1 4.38Å; V141-I213 HydrophobicContact CB-CD1 4.5Å; V141-I213 HydrophobicContact CG1-CD1 3.77Å; M209-I213 HydrophobicContact CE-CD1 4.37Å; M209-I213 HydrophobicContact CG-CD1 3.89Å; M209-I213 HydrophobicContact CG-CG1 4.49Å; M209-I213 WeakPolarHBondContact O-CG1 3.46Å; M209-I213 PolarHBondContact O-N 3.12Å; M209-I213 HydrophobicContact SD-CD1 4.43Å; N210-I213 PolarHBondContact O-N 2.95Å; I213-M216 PolarHBondContact O-N 2.79Å; I213-L217 VanDerWaalsContact O-CB 3.27Å; I213-L217 WeakPolarHBondContact O-CB 3.46Å; I213-L217 PolarHBondContact O-N 3.05Å; I213-M236 HydrophobicContact CB-CE 4.29Å; I213-M236 HydrophobicContact CD1-CE 4.15Å; I213-M236 HydrophobicContact CG1-CE 3.98Å; I213-M236 HydrophobicContact CG2-CE 3.43Å; I213-M236 VanDerWaalsContact CG2-CE 3.43Å; I213-Y239 HydrophobicContact CG1-CD2 4.36Å
214	W	89.4	Confident	81.4	Confident	80 Å²	80	72.8 Å²	72.8	30%	0.303	36%	0.355	S	S	.	.	H	α-helix	trans	-62.5	-44.4	176.1	-82.5	118.4	0	0	0	112.6	L120 I130 N210 R211 T212 L217 A218	L120-W214 HydrophobicContact CD1-CH2 3.73Å; L120-W214 HydrophobicContact CD1-CZ3 4.28Å; L120-W214 HydrophobicContact CD2-CH2 3.45Å; L120-W214 VanDerWaalsContact CD2-CH2 3.45Å; L120-W214 HydrophobicContact CD2-CZ3 3.68Å; L120-W214 HydrophobicContact CG-CH2 3.8Å; L120-W214 HydrophobicContact CG-CZ3 4.42Å; I130-W214 HydrophobicContact CD1-CH2 4.25Å; N210-W214 WeakPolarHBondContact O-CB 3.25Å; N210-W214 PolarHBondContact O-N 3.39Å; R211-W214 PolarHBondContact O-N 2.74Å; T212-W214 VanDerWaalsContact C-N 3.32Å; T212-W214 PolarHBondContact O-N 3.41Å; W214-L217 HydrophobicContact CE3-CD2 4.16Å; W214-L217 HydrophobicContact CZ3-CD2 3.83Å; W214-L217 PolarHBondContact O-N 3.1Å; W214-A218 VanDerWaalsContact O-CB 3.28Å; W214-A218 WeakPolarHBondContact O-CB 3.41Å; W214-A218 PolarHBondContact O-N 2.81Å
215	D	91.1	Very high	82	Confident	77 Å²	77	78.5 Å²	78.5	41%	0.412	38%	0.379	S	S	.	.	H	α-helix	trans	-63.5	-44.4	177.2	-178.1	57.9	0	0	0	111.5	R211 T212 A218 K219	R211-D215 WeakPolarHBondContact O-CB 2.99Å; R211-D215 PolarHBondContact O-N 2.74Å; T212-D215 PolarHBondContact O-N 3.48Å; D215-A218 PolarHBondContact O-N 3.34Å; D215-K219 VanDerWaalsContact CG-NZ 3.33Å; D215-K219 WeakPolarHBondContact O-CB 3.35Å; D215-K219 WeakPolarHBondContact O-CD 3.49Å; D215-K219 VanDerWaalsContact O-CG 3.25Å; D215-K219 WeakPolarHBondContact O-CG 3.42Å; D215-K219 PolarHBondContact O-N 2.96Å; D215-K219 WeakPolarHBondContact OD1-CE 3.42Å; D215-K219 IonicContact OD1-NZ 2.72Å; D215-K219 PolarHBondContact OD1-NZ 3.23Å; D215-K219 WeakPolarHBondContact OD2-CE 3.29Å; D215-K219 IonicContact OD2-NZ 2.67Å; D215-K219 PolarHBondContact OD2-NZ 2.98Å
216	M	91.8	Very high	82.5	Confident	48 Å²	48	81.8 Å²	81.8	24%	0.236	39%	0.388	C	S	.	.	H	α-helix	trans	-62.7	-43.5	174.4	-67	173.7	72.7	0	0	111.8	T212 I213 K219 S220 V235 A238 Y239	T212-M216 HydrophobicContact CG2-CG 4.46Å; T212-M216 HydrophobicContact CG2-SD 4.08Å; T212-M216 VanDerWaalsContact O-CG 3.26Å; T212-M216 WeakPolarHBondContact O-CG 3.49Å; T212-M216 PolarHBondContact O-N 3.32Å; I213-M216 PolarHBondContact O-N 2.79Å; M216-K219 PolarHBondContact O-N 2.89Å; M216-S220 VanDerWaalsContact O-CB 3.31Å; M216-S220 WeakPolarHBondContact O-CB 3.29Å; M216-S220 PolarHBondContact O-N 2.79Å; M216-S220 PolarHBondContact O-OG 3.42Å; M216-S220 VanDerWaalsContact O-OG 3.13Å; M216-V235 HydrophobicContact CB-CG1 3.58Å; M216-V235 HydrophobicContact CE-CG1 4.2Å; M216-V235 HydrophobicContact SD-CG1 4.46Å; M216-A238 HydrophobicContact CE-CB 3.82Å; M216-Y239 HydrophobicContact SD-CD2 4.1Å
217	L	89	Confident	83.3	Confident	3 Å²	3	85 Å²	85	2%	0.016	41%	0.405	C	S	.	.	H	α-helix	trans	-64.1	-47.9	179.1	-174	63.9	0	0	0	110.8	I130 I213 W214 K219 S220 I221 L232 V235	I130-L217 HydrophobicContact CD1-CD2 4.19Å; I213-L217 VanDerWaalsContact O-CB 3.27Å; I213-L217 WeakPolarHBondContact O-CB 3.46Å; I213-L217 PolarHBondContact O-N 3.05Å; W214-L217 HydrophobicContact CE3-CD2 4.16Å; W214-L217 HydrophobicContact CZ3-CD2 3.83Å; W214-L217 PolarHBondContact O-N 3.1Å; L217-K219 VanDerWaalsContact C-N 3.35Å; L217-K219 PolarHBondContact O-N 3.27Å; L217-S220 WeakPolarHBondContact CA-OG 3.12Å; L217-S220 PolarHBondContact O-N 3.31Å; L217-S220 VanDerWaalsContact O-N 3.13Å; L217-S220 PolarHBondContact O-OG 2.86Å; L217-I221 HydrophobicContact CD1-CD1 4.33Å; L217-I221 HydrophobicContact CG-CD1 3.98Å; L217-I221 VanDerWaalsContact O-CG1 3.3Å; L217-I221 WeakPolarHBondContact O-CG1 3.22Å; L217-I221 PolarHBondContact O-N 3.43Å; L217-I221 VanDerWaalsContact O-N 3.14Å; L217-L232 HydrophobicContact CD1-CD1 4.47Å; L217-L232 HydrophobicContact CD2-CD1 4.48Å; L217-V235 HydrophobicContact CD1-CG2 4.15Å
218	A	88.2	Confident	83.7	Confident	64 Å²	64	80.8 Å²	80.8	53%	0.529	39%	0.385	S	S	.	.	H	α-helix	trans	-58.9	-43.9	177.5	0	0	0	0	0	112.2	W214 D215 S220 I221	W214-A218 VanDerWaalsContact O-CB 3.28Å; W214-A218 WeakPolarHBondContact O-CB 3.41Å; W214-A218 PolarHBondContact O-N 2.81Å; D215-A218 PolarHBondContact O-N 3.34Å; A218-S220 VanDerWaalsContact C-N 3.28Å; A218-S220 PolarHBondContact O-N 2.91Å; A218-I221 PolarHBondContact O-N 3.04Å
219	K	88.9	Confident	84.1	Confident	149 Å²	149	76.1 Å²	76.1	65%	0.648	37%	0.368	S	S	*	.	H	α-helix	trans	-65.7	-28.8	176.6	-73.1	168.4	177.7	170.1	0	113.6	D215 M216 L217	D215-K219 VanDerWaalsContact CG-NZ 3.33Å; D215-K219 WeakPolarHBondContact O-CB 3.35Å; D215-K219 WeakPolarHBondContact O-CD 3.49Å; D215-K219 VanDerWaalsContact O-CG 3.25Å; D215-K219 WeakPolarHBondContact O-CG 3.42Å; D215-K219 PolarHBondContact O-N 2.96Å; D215-K219 WeakPolarHBondContact OD1-CE 3.42Å; D215-K219 IonicContact OD1-NZ 2.72Å; D215-K219 PolarHBondContact OD1-NZ 3.23Å; D215-K219 WeakPolarHBondContact OD2-CE 3.29Å; D215-K219 IonicContact OD2-NZ 2.67Å; D215-K219 PolarHBondContact OD2-NZ 2.98Å; M216-K219 PolarHBondContact O-N 2.89Å; L217-K219 VanDerWaalsContact C-N 3.35Å; L217-K219 PolarHBondContact O-N 3.27Å
220	S	85.2	Confident	84.3	Confident	37 Å²	37	81 Å²	81	26%	0.259	39%	0.392	S	S	.	.	H	α-helix	trans	-87	-13.7	-178.1	68.7	0	0	0	0	114.3	M216 L217 A218 I222 V231 V235	M216-S220 VanDerWaalsContact O-CB 3.31Å; M216-S220 WeakPolarHBondContact O-CB 3.29Å; M216-S220 PolarHBondContact O-N 2.79Å; M216-S220 PolarHBondContact O-OG 3.42Å; M216-S220 VanDerWaalsContact O-OG 3.13Å; L217-S220 WeakPolarHBondContact CA-OG 3.12Å; L217-S220 PolarHBondContact O-N 3.31Å; L217-S220 VanDerWaalsContact O-N 3.13Å; L217-S220 PolarHBondContact O-OG 2.86Å; A218-S220 VanDerWaalsContact C-N 3.28Å; A218-S220 PolarHBondContact O-N 2.91Å; S220-I222 PolarHBondContact O-N 2.93Å; S220-V231 WeakPolarHBondContact OG-CG1 3.18Å; S220-V235 VanDerWaalsContact OG-CG2 3.31Å; S220-V235 WeakPolarHBondContact OG-CG2 3.44Å
221	I	78.9	Confident	84.5	Confident	48 Å²	48	81.9 Å²	81.9	25%	0.246	40%	0.398	C	S	.	.			trans	-85	104.6	176.5	-67.7	164.4	0	0	0	107.6	L217 A218 E225 W228	L217-I221 HydrophobicContact CD1-CD1 4.33Å; L217-I221 HydrophobicContact CG-CD1 3.98Å; L217-I221 VanDerWaalsContact O-CG1 3.3Å; L217-I221 WeakPolarHBondContact O-CG1 3.22Å; L217-I221 PolarHBondContact O-N 3.43Å; L217-I221 VanDerWaalsContact O-N 3.14Å; A218-I221 PolarHBondContact O-N 3.04Å; I221-E225 HydrophobicContact CG2-CG 4.4Å; I221-W228 HydrophobicContact CD1-CB 3.88Å
222	I	63.3	Low	84.7	Confident	154 Å²	154	74 Å²	74	79%	0.79	37%	0.368	S	S	*	.			trans	-95.9	-44.8	-172.4	-58.7	169.2	0	0	0	112.1	S220	S220-I222 PolarHBondContact O-N 2.93Å
223	M	62.9	Low	84.8	Confident	187 Å²	187	74.8 Å²	74.8	92%	0.921	38%	0.375	S	S	*	.	S	Bend	trans	-119.5	-45.3	-168.7	-66.1	-161.1	-76.4	0	0	114.7
224	E	75.3	Confident	85	Confident	103 Å²	103	81.2 Å²	81.2	48%	0.481	40%	0.403	S	S	.	.			trans	-137.3	118.3	-176.7	-178	149.6	-149.9	0	0	112.5	R226 N227	E224-R226 HydrophobicContact CG-CB 4.01Å; E224-R226 HydrophobicContact CG-CG 4.41Å; E224-R226 PolarHBondContact O-N 3.31Å; E224-N227 PolarHBondContact O-N 3.39Å; E224-N227 VanDerWaalsContact O-N 3.17Å
225	E	78.7	Confident	85.2	Confident	130 Å²	130	77.8 Å²	77.8	61%	0.607	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-58.5	-32	-179.4	-60.8	-175.9	170.2	0	0	112.5	P121 I221 N227 W228	P121-E225 HydrophobicContact CB-CB 4.49Å; P121-E225 HydrophobicContact CG-CB 4.12Å; I221-E225 HydrophobicContact CG2-CG 4.4Å; E225-N227 PolarHBondContact O-N 3.46Å; E225-N227 VanDerWaalsContact O-N 3.12Å; E225-W228 WeakPolarHBondContact O-CB 3.45Å; E225-W228 PolarHBondContact O-N 3.37Å
226	R	80.7	Confident	85.4	Confident	151 Å²	151	74.2 Å²	74.2	57%	0.57	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-64.9	-16.8	-178.6	-62.9	179.2	177.1	175	-0.1	113.9	T123 E224	T123-R226 WeakPolarHBondContact CG2-O 3.39Å; E224-R226 HydrophobicContact CG-CB 4.01Å; E224-R226 HydrophobicContact CG-CG 4.41Å; E224-R226 PolarHBondContact O-N 3.31Å
227	N	85.5	Confident	85.6	Confident	72 Å²	72	75.6 Å²	75.6	39%	0.385	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-94	12.3	179.5	-68.2	-28.6	0	0	0	113.5	E224 E225 H229 M230	E224-N227 PolarHBondContact O-N 3.39Å; E224-N227 VanDerWaalsContact O-N 3.17Å; E225-N227 PolarHBondContact O-N 3.46Å; E225-N227 VanDerWaalsContact O-N 3.12Å; N227-H229 PolarHBondContact O-N 3.17Å; N227-M230 WeakPolarHBondContact O-CB 3.42Å; N227-M230 PolarHBondContact O-N 3.34Å
228	W	90	Very high	85.8	Confident	3 Å²	3	77.4 Å²	77.4	1%	0.011	39%	0.393	C	S	.	.	H	α-helix	trans	-49.6	-36.8	179	63.5	-105.9	0	0	0	113.3	L120 P121 T123 N127 I130 P145 I221 E225 M230 V231 L232	L120-W228 HydrophobicContact CB-CZ2 4.17Å; L120-W228 HydrophobicContact CD1-CD2 3.69Å; L120-W228 HydrophobicContact CD1-CE3 3.94Å; L120-W228 HydrophobicContact CD1-CG 4.24Å; L120-W228 HydrophobicContact CD1-CH2 4.04Å; L120-W228 HydrophobicContact CD1-CZ2 3.76Å; L120-W228 HydrophobicContact CD1-CZ3 4.13Å; P121-W228 PolarHBondContact O-NE1 3.06Å; T123-W228 HydrophobicContact CG2-CD2 4.06Å; T123-W228 HydrophobicContact CG2-CG 4.48Å; T123-W228 HydrophobicContact CG2-CH2 4.29Å; T123-W228 HydrophobicContact CG2-CZ2 3.47Å; T123-W228 VanDerWaalsContact CG2-CZ2 3.47Å; T123-W228 VanDerWaalsContact CG2-NE1 3.34Å; N127-W228 HydrophobicContact CB-CH2 3.95Å; N127-W228 HydrophobicContact CB-CZ2 3.97Å; I130-W228 HydrophobicContact CD1-CE3 3.89Å; I130-W228 HydrophobicContact CD1-CH2 4.4Å; I130-W228 HydrophobicContact CD1-CZ3 3.67Å; I130-W228 HydrophobicContact CG1-CE3 4.21Å; I130-W228 HydrophobicContact CG1-CH2 3.83Å; I130-W228 HydrophobicContact CG1-CZ3 3.48Å; I130-W228 VanDerWaalsContact CG1-CZ3 3.48Å; P145-W228 HydrophobicContact CB-CH2 3.76Å; P145-W228 HydrophobicContact CB-CZ3 3.85Å; P145-W228 HydrophobicContact CG-CH2 4.37Å; P145-W228 HydrophobicContact CG-CZ3 3.94Å; I221-W228 HydrophobicContact CD1-CB 3.88Å; E225-W228 WeakPolarHBondContact O-CB 3.45Å; E225-W228 PolarHBondContact O-N 3.37Å; W228-M230 VanDerWaalsContact C-N 3.27Å; W228-M230 PolarHBondContact O-N 2.74Å; W228-V231 PolarHBondContact O-N 3.16Å; W228-V231 VanDerWaalsContact O-N 3.16Å; W228-L232 HydrophobicContact CZ3-CD2 4.19Å; W228-L232 WeakPolarHBondContact O-CB 3.32Å; W228-L232 PolarHBondContact O-N 3.39Å
229	H	90	Very high	86.2	Confident	36 Å²	36	75.1 Å²	75.1	17%	0.167	37%	0.371	C	S	.	.	H	α-helix	trans	-66.1	-24.7	-180	71.5	-67.2	0	0	0	114.3	T123 P145 N227 P233	T123-H229 HydrophobicContact CG2-CB 3.91Å; T123-H229 VanDerWaalsContact CG2-ND1 3.31Å; T123-H229 WeakPolarHBondContact CG2-ND1 3.39Å; P145-H229 HydrophobicContact CB-CB 4.31Å; P145-H229 HydrophobicContact CG-CB 3.97Å; N227-H229 PolarHBondContact O-N 3.17Å; H229-P233 VanDerWaalsContact O-CD 3.26Å; H229-P233 WeakPolarHBondContact O-CD 3.32Å
230	M	88.8	Confident	86.5	Confident	112 Å²	112	69.6 Å²	69.6	55%	0.552	35%	0.346	S	S	*	.	H	α-helix	trans	-80.4	-26.5	176	-61.8	-60.2	-71.3	0	0	111.9	N227 W228	N227-M230 WeakPolarHBondContact O-CB 3.42Å; N227-M230 PolarHBondContact O-N 3.34Å; W228-M230 VanDerWaalsContact C-N 3.27Å; W228-M230 PolarHBondContact O-N 2.74Å
231	V	89.4	Confident	87	Confident	28 Å²	28	68.1 Å²	68.1	17%	0.17	34%	0.336	C	S	.	.	H	α-helix	trans	-88.5	-28.6	179	-170.4	0	0	0	0	111.1	S220 W228 K234 V235	S220-V231 WeakPolarHBondContact OG-CG1 3.18Å; W228-V231 PolarHBondContact O-N 3.16Å; W228-V231 VanDerWaalsContact O-N 3.16Å; V231-K234 WeakPolarHBondContact O-CA 3.35Å; V231-K234 WeakPolarHBondContact O-CB 3.28Å; V231-K234 PolarHBondContact O-N 3.46Å; V231-V235 HydrophobicContact CG1-CG2 4.04Å; V231-V235 PolarHBondContact O-N 3.47Å
232	L	92.7	Very high	87.8	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-51.6	-48.1	-177.7	-178.2	68	0	0	0	114.1	I130 A143 P145 L217 W228 K234 V235 M236	I130-L232 HydrophobicContact CD1-CD1 4.16Å; I130-L232 HydrophobicContact CD1-CD2 4.06Å; I130-L232 HydrophobicContact CG1-CD2 4.3Å; I130-L232 HydrophobicContact CG2-CD2 4.1Å; A143-L232 HydrophobicContact CB-CD1 3.83Å; A143-L232 HydrophobicContact CB-CD2 4.05Å; A143-L232 HydrophobicContact CB-CG 4.11Å; A143-L232 WeakPolarHBondContact O-CD2 3.47Å; P145-L232 HydrophobicContact CG-CD2 3.85Å; L217-L232 HydrophobicContact CD1-CD1 4.47Å; L217-L232 HydrophobicContact CD2-CD1 4.48Å; W228-L232 HydrophobicContact CZ3-CD2 4.19Å; W228-L232 WeakPolarHBondContact O-CB 3.32Å; W228-L232 PolarHBondContact O-N 3.39Å; L232-K234 VanDerWaalsContact C-N 3.28Å; L232-K234 PolarHBondContact O-N 2.9Å; L232-V235 PolarHBondContact O-N 3.38Å; L232-M236 HydrophobicContact CD1-CE 4.17Å; L232-M236 WeakPolarHBondContact O-CG 3.33Å; L232-M236 PolarHBondContact O-N 3.07Å
233	P	93.4	Very high	89.2	Confident	84 Å²	84	66.4 Å²	66.4	55%	0.545	34%	0.337	S	S	.	.	H	α-helix	trans	-61.5	-33.9	177	-24.3	35.1	0	0	0	113.6	H229 M236 M237	H229-P233 VanDerWaalsContact O-CD 3.26Å; H229-P233 WeakPolarHBondContact O-CD 3.32Å; P233-M236 PolarHBondContact O-N 3.23Å; P233-M237 PolarHBondContact O-N 3.18Å
234	K	92.2	Very high	90.5	Very high	138 Å²	138	59.7 Å²	59.7	60%	0.6	30%	0.304	S	S	*	.	H	α-helix	trans	-67.9	-44.4	177.8	-58.7	170.4	-177.8	164.3	0	110.5	V231 L232 M236 M237 A238	V231-K234 WeakPolarHBondContact O-CA 3.35Å; V231-K234 WeakPolarHBondContact O-CB 3.28Å; V231-K234 PolarHBondContact O-N 3.46Å; L232-K234 VanDerWaalsContact C-N 3.28Å; L232-K234 PolarHBondContact O-N 2.9Å; K234-M236 VanDerWaalsContact C-N 3.31Å; K234-M236 PolarHBondContact O-N 2.84Å; K234-M237 WeakPolarHBondContact O-CB 3.45Å; K234-M237 PolarHBondContact O-N 2.72Å; K234-A238 PolarHBondContact O-N 3.38Å
235	V	93.5	Very high	90.9	Very high	8 Å²	8	59.9 Å²	59.9	5%	0.048	32%	0.316	C	S	.	.	H	α-helix	trans	-60.7	-42.2	174.4	174.1	0	0	0	0	110.8	M216 L217 S220 V231 L232 A238 Y239	M216-V235 HydrophobicContact CB-CG1 3.58Å; M216-V235 HydrophobicContact CE-CG1 4.2Å; M216-V235 HydrophobicContact SD-CG1 4.46Å; L217-V235 HydrophobicContact CD1-CG2 4.15Å; S220-V235 VanDerWaalsContact OG-CG2 3.31Å; S220-V235 WeakPolarHBondContact OG-CG2 3.44Å; V231-V235 HydrophobicContact CG1-CG2 4.04Å; V231-V235 PolarHBondContact O-N 3.47Å; L232-V235 PolarHBondContact O-N 3.38Å; V235-A238 PolarHBondContact O-N 2.72Å; V235-Y239 WeakPolarHBondContact O-CB 3.28Å; V235-Y239 PolarHBondContact O-N 2.7Å
236	M	95.3	Very high	91	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-63.9	-40.4	176.3	-70.8	-55.7	99.7	0	0	112.3	V141 A143 I213 L232 P233 K234 Y239 R240	V141-M236 HydrophobicContact CG1-SD 4.22Å; A143-M236 HydrophobicContact CB-CE 4.04Å; A143-M236 HydrophobicContact CB-CG 3.78Å; A143-M236 HydrophobicContact CB-SD 3.41Å; A143-M236 WeakPolarHBondContact CB-SD 3.45Å; I213-M236 HydrophobicContact CB-CE 4.29Å; I213-M236 HydrophobicContact CD1-CE 4.15Å; I213-M236 HydrophobicContact CG1-CE 3.98Å; I213-M236 HydrophobicContact CG2-CE 3.43Å; I213-M236 VanDerWaalsContact CG2-CE 3.43Å; L232-M236 HydrophobicContact CD1-CE 4.17Å; L232-M236 WeakPolarHBondContact O-CG 3.33Å; L232-M236 PolarHBondContact O-N 3.07Å; P233-M236 PolarHBondContact O-N 3.23Å; K234-M236 VanDerWaalsContact C-N 3.31Å; K234-M236 PolarHBondContact O-N 2.84Å; M236-Y239 PolarHBondContact O-N 3Å; M236-R240 WeakPolarHBondContact O-CB 3.26Å; M236-R240 WeakPolarHBondContact O-CD 3.21Å; M236-R240 WeakPolarHBondContact O-CG 3.4Å; M236-R240 PolarHBondContact O-N 3.39Å
237	M	95	Very high	91.2	Very high	76 Å²	76	47.7 Å²	47.7	37%	0.374	27%	0.268	S	S	.	.	H	α-helix	trans	-60.3	-49.5	174.8	-174.4	174.2	78.3	0	0	111.3	P233 K234 Y239 R240 A241 L262	P233-M237 PolarHBondContact O-N 3.18Å; K234-M237 WeakPolarHBondContact O-CB 3.45Å; K234-M237 PolarHBondContact O-N 2.72Å; M237-Y239 VanDerWaalsContact C-N 3.32Å; M237-Y239 PolarHBondContact O-N 3.27Å; M237-R240 PolarHBondContact O-N 2.84Å; M237-A241 WeakPolarHBondContact O-CB 3.29Å; M237-A241 PolarHBondContact O-N 3.34Å; M237-L262 HydrophobicContact CE-CD2 3.94Å; M237-L262 HydrophobicContact CG-CD2 3.94Å; M237-L262 HydrophobicContact SD-CD2 4.19Å
238	A	94.7	Very high	91.2	Very high	41 Å²	41	45.4 Å²	45.4	34%	0.339	26%	0.262	S	S	.	.	H	α-helix	trans	-59.3	-42.4	177.8	0	0	0	0	0	112.1	M216 K234 V235 A241 T242	M216-A238 HydrophobicContact CE-CB 3.82Å; K234-A238 PolarHBondContact O-N 3.38Å; V235-A238 PolarHBondContact O-N 2.72Å; A238-A241 PolarHBondContact O-N 3.01Å; A238-T242 PolarHBondContact O-N 2.67Å; A238-T242 PolarHBondContact O-OG1 2.98Å
239	Y	95.7	Very high	91.2	Very high	16 Å²	16	48.7 Å²	48.7	6%	0.063	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-47.2	176.6	179.9	-89.4	0	0	0	111.6	V141 M209 T212 I213 M216 V235 M236 M237 A241 T242 P251	V141-Y239 HydrophobicContact CB-CD1 4.32Å; V141-Y239 HydrophobicContact CB-CE1 4.15Å; V141-Y239 HydrophobicContact CG2-CD1 4.18Å; V141-Y239 HydrophobicContact CG2-CE1 3.52Å; M209-Y239 HydrophobicContact CG-CE2 4.46Å; T212-Y239 HydrophobicContact CG2-CD2 4.43Å; T212-Y239 HydrophobicContact CG2-CE2 4.34Å; I213-Y239 HydrophobicContact CG1-CD2 4.36Å; M216-Y239 HydrophobicContact SD-CD2 4.1Å; V235-Y239 WeakPolarHBondContact O-CB 3.28Å; V235-Y239 PolarHBondContact O-N 2.7Å; M236-Y239 PolarHBondContact O-N 3Å; M237-Y239 VanDerWaalsContact C-N 3.32Å; M237-Y239 PolarHBondContact O-N 3.27Å; Y239-A241 VanDerWaalsContact C-N 3.29Å; Y239-A241 PolarHBondContact O-N 3.24Å; Y239-T242 PolarHBondContact O-N 2.9Å; Y239-P251 HydrophobicContact CD1-CG 4.42Å; Y239-P251 HydrophobicContact CE1-CG 4Å
240	R	96	Very high	91.3	Very high	33 Å²	33	47 Å²	47	13%	0.125	27%	0.27	C	S	.	.	H	α-helix	trans	-68.1	-28.5	-178.4	-66.8	163.4	-163.9	-171.2	11.8	112.8	F140 V141 E142 M236 M237 S250 P251 Y252	F140-R240 HydrophobicContact CD2-CG 4.08Å; F140-R240 HydrophobicContact CE2-CB 4.34Å; F140-R240 HydrophobicContact CE2-CG 3.83Å; F140-R240 HydrophobicContact CZ-CG 4.35Å; V141-R240 PolarHBondContact O-NE 3.36Å; V141-R240 PolarHBondContact O-NH2 3.22Å; E142-R240 IonicContact OE1-CZ 3.68Å; E142-R240 IonicContact OE1-NH1 2.65Å; E142-R240 PolarHBondContact OE1-NH1 2.76Å; E142-R240 IonicContact OE1-NH2 3.7Å; E142-R240 PolarHBondContact OE1-NH2 2.88Å; E142-R240 IonicContact OE2-CZ 3.06Å; E142-R240 IonicContact OE2-NH1 2.66Å; E142-R240 IonicContact OE2-NH2 2.94Å; E142-R240 PolarHBondContact OE2-NH2 3.49Å; M236-R240 WeakPolarHBondContact O-CB 3.26Å; M236-R240 WeakPolarHBondContact O-CD 3.21Å; M236-R240 WeakPolarHBondContact O-CG 3.4Å; M236-R240 PolarHBondContact O-N 3.39Å; M237-R240 PolarHBondContact O-N 2.84Å; R240-S250 WeakPolarHBondContact O-CB 3.31Å; R240-P251 WeakPolarHBondContact O-CD 3.31Å; R240-Y252 WeakPolarHBondContact O-CB 3.46Å; R240-Y252 PolarHBondContact O-N 2.98Å
241	A	95.4	Very high	91.6	Very high	6 Å²	6	41.7 Å²	41.7	5%	0.05	24%	0.244	C	C	.	.	H	α-helix	trans	-80.6	-22.4	179.1	0	0	0	0	0	113.4	M237 A238 Y239 S250 Q259 C260 L262	M237-A241 WeakPolarHBondContact O-CB 3.29Å; M237-A241 PolarHBondContact O-N 3.34Å; A238-A241 PolarHBondContact O-N 3.01Å; Y239-A241 VanDerWaalsContact C-N 3.29Å; Y239-A241 PolarHBondContact O-N 3.24Å; A241-S250 WeakPolarHBondContact O-CB 3.37Å; A241-Q259 PolarHBondContact O-NE2 3.35Å; A241-C260 HydrophobicContact CB-CB 3.86Å; A241-L262 HydrophobicContact CB-CD1 3.97Å; A241-L262 HydrophobicContact CB-CD2 3.94Å; A241-L262 HydrophobicContact CB-CG 4.26Å
242	T	94.6	Very high	91.8	Very high	83 Å²	83	42.5 Å²	42.5	51%	0.509	24%	0.244	S	C	.	.	S	Bend	trans	-86.3	133.9	-177.1	-57.6	0	0	0	0	112.1	A238 Y239 H244 S250 P251	A238-T242 PolarHBondContact O-N 2.67Å; A238-T242 PolarHBondContact O-OG1 2.98Å; Y239-T242 PolarHBondContact O-N 2.9Å; T242-H244 PolarHBondContact O-N 3.23Å; T242-S250 WeakPolarHBondContact O-CA 3.31Å; T242-P251 WeakPolarHBondContact O-CD 3.35Å
243	P	92.9	Very high	91.7	Very high	84 Å²	84	46.1 Å²	46.1	55%	0.545	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-56.6	126.8	175.2	-26.8	35.6	0	0	0	113.9
244	H	89.9	Confident	91.5	Very high	46 Å²	46	42.1 Å²	42.1	21%	0.213	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-83	135.5	175.9	-173.6	-89.9	0	0	0	110.6	T242 S246 T247 G248 Q249 P251	T242-H244 PolarHBondContact O-N 3.23Å; H244-S246 VanDerWaalsContact C-N 3.27Å; H244-S246 PolarHBondContact CE1-OG 3.4Å; H244-S246 PolarHBondContact ND1-N 2.93Å; H244-S246 PolarHBondContact ND1-OG 3.48Å; H244-S246 PolarHBondContact O-N 2.74Å; H244-S246 VanDerWaalsContact O-N 3.14Å; H244-T247 PolarHBondContact O-N 2.84Å; H244-T247 VanDerWaalsContact O-N 3.11Å; H244-T247 PolarHBondContact O-OG1 3.31Å; H244-G248 WeakPolarHBondContact O-CA 3.32Å; H244-G248 PolarHBondContact O-N 3.13Å; H244-Q249 PolarHBondContact N-O 2.89Å; H244-P251 HydrophobicContact CB-CG 4.47Å
245	S	85.6	Confident	91.5	Very high	106 Å²	106	36.2 Å²	36.2	74%	0.741	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-33.9	-172.5	58.5	0	0	0	0	114.4
246	S	80.7	Confident	91.3	Very high	21 Å²	21	38.6 Å²	38.6	15%	0.147	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-31.9	179.5	73.7	0	0	0	0	113.9	H244	H244-S246 VanDerWaalsContact C-N 3.27Å; H244-S246 PolarHBondContact CE1-OG 3.4Å; H244-S246 PolarHBondContact ND1-N 2.93Å; H244-S246 PolarHBondContact ND1-OG 3.48Å; H244-S246 PolarHBondContact O-N 2.74Å; H244-S246 VanDerWaalsContact O-N 3.14Å
247	T	84	Confident	90.9	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.025	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-25.8	-177.5	57.7	0	0	0	0	111.5	K139 H244 Q249 L295	K139-T247 HydrophobicContact CG-CG2 3.83Å; H244-T247 PolarHBondContact O-N 2.84Å; H244-T247 VanDerWaalsContact O-N 3.11Å; H244-T247 PolarHBondContact O-OG1 3.31Å; T247-Q249 PolarHBondContact O-N 2.87Å; T247-Q249 PolarHBondContact OG1-N 3.19Å; T247-Q249 PolarHBondContact OG1-O 2.83Å; T247-L295 HydrophobicContact CG2-CD1 4Å; T247-L295 HydrophobicContact CG2-CD2 4.4Å
248	G	85.6	Confident	90.6	Very high	25 Å²	25	40 Å²	40	26%	0.258	22%	0.219	S	C	.	.	S	Bend	trans	65.9	11.3	-169.6	0	0	0	0	0	113.8	H244	H244-G248 WeakPolarHBondContact O-CA 3.32Å; H244-G248 PolarHBondContact O-N 3.13Å
249	Q	89.1	Confident	90.3	Very high	71 Å²	71	42 Å²	42	33%	0.332	22%	0.221	S	C	.	.	S	Bend	trans	-134.8	151.9	-177.6	-67.3	-63	-22.4	0	0	109.2	H244 T247 M254	H244-Q249 PolarHBondContact N-O 2.89Å; T247-Q249 PolarHBondContact O-N 2.87Å; T247-Q249 PolarHBondContact OG1-N 3.19Å; T247-Q249 PolarHBondContact OG1-O 2.83Å; Q249-M254 HydrophobicContact CB-CG 3.99Å; Q249-M254 HydrophobicContact CB-SD 3.76Å; Q249-M254 HydrophobicContact CG-SD 4.32Å
250	S	93.2	Very high	90.1	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.007	22%	0.221	C	C	.	.			trans	-66.5	139.2	177.8	66.2	0	0	0	0	110.3	R240 A241 T242 Y252 R253 M254 Q259	R240-S250 WeakPolarHBondContact O-CB 3.31Å; A241-S250 WeakPolarHBondContact O-CB 3.37Å; T242-S250 WeakPolarHBondContact O-CA 3.31Å; S250-Y252 PolarHBondContact O-N 3.15Å; S250-Y252 VanDerWaalsContact O-N 3.15Å; S250-R253 PolarHBondContact O-N 3.02Å; S250-R253 WeakPolarHBondContact OG-CB 3.27Å; S250-R253 PolarHBondContact OG-N 3.45Å; S250-M254 WeakPolarHBondContact O-CG 3.46Å; S250-M254 PolarHBondContact O-N 3.09Å; S250-Q259 PolarHBondContact OG-OE1 3.24Å
251	P	93.9	Very high	89.7	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-54.3	-33.5	177.3	-27.3	32.8	0	0	0	113.7	S138 K139 F140 Y239 R240 T242 H244 M254 M255	S138-P251 WeakPolarHBondContact O-CA 3.49Å; K139-P251 HydrophobicContact CB-CG 4.44Å; K139-P251 WeakPolarHBondContact O-CB 3.35Å; F140-P251 HydrophobicContact CB-CB 4.35Å; F140-P251 HydrophobicContact CD2-CB 4.38Å; Y239-P251 HydrophobicContact CD1-CG 4.42Å; Y239-P251 HydrophobicContact CE1-CG 4Å; R240-P251 WeakPolarHBondContact O-CD 3.31Å; T242-P251 WeakPolarHBondContact O-CD 3.35Å; H244-P251 HydrophobicContact CB-CG 4.47Å; P251-M254 WeakPolarHBondContact O-CB 3.29Å; P251-M254 PolarHBondContact O-N 3.41Å; P251-M255 WeakPolarHBondContact O-CB 3.28Å; P251-M255 PolarHBondContact O-N 3.45Å
252	Y	94.5	Very high	89.5	Confident	44 Å²	44	48.4 Å²	48.4	17%	0.173	25%	0.247	C	C	.	.	H	α-helix	trans	-63.8	-47.1	175	-166.6	-83.2	0	0	0	111.8	F140 R240 S250 M254 M255 F256 R258 C260	F140-Y252 HydrophobicContact CE2-CD2 4.31Å; R240-Y252 WeakPolarHBondContact O-CB 3.46Å; R240-Y252 PolarHBondContact O-N 2.98Å; S250-Y252 PolarHBondContact O-N 3.15Å; S250-Y252 VanDerWaalsContact O-N 3.15Å; Y252-M254 VanDerWaalsContact C-N 3.26Å; Y252-M254 PolarHBondContact O-N 3.31Å; Y252-M255 PolarHBondContact O-N 2.67Å; Y252-M255 VanDerWaalsContact O-N 3.13Å; Y252-F256 HydrophobicContact CD1-CB 4.31Å; Y252-F256 AromaticContact CD1-CD2 3.79Å; Y252-F256 HydrophobicContact CD1-CD2 3.79Å; Y252-F256 AromaticContact CD2-CD2 3.69Å; Y252-F256 HydrophobicContact CD2-CD2 3.69Å; Y252-F256 AromaticContact CD2-CE2 3.83Å; Y252-F256 HydrophobicContact CD2-CE2 3.83Å; Y252-F256 HydrophobicContact CE1-CB 4.03Å; Y252-F256 AromaticContact CE1-CD2 3.66Å; Y252-F256 HydrophobicContact CE1-CD2 3.66Å; Y252-F256 HydrophobicContact CE1-CG 4.19Å; Y252-F256 AromaticContact CE2-CD2 3.57Å; Y252-F256 HydrophobicContact CE2-CD2 3.57Å; Y252-F256 AromaticContact CE2-CE2 3.65Å; Y252-F256 HydrophobicContact CE2-CE2 3.65Å; Y252-F256 AromaticContact CG-CD2 3.8Å; Y252-F256 HydrophobicContact CG-CD2 3.8Å; Y252-F256 HydrophobicContact CG-CE2 4.37Å; Y252-F256 AromaticContact CZ-CD2 3.56Å; Y252-F256 WeakPolarHBondContact O-CD2 3.38Å; Y252-F256 PolarHBondContact O-N 3.02Å; Y252-R258 WeakPolarHBondContact CD1-O 3.36Å; Y252-R258 HydrophobicContact CE1-CG 4.12Å; Y252-R258 PolarHBondContact OH-NH2 3.02Å; Y252-C260 HydrophobicContact CD1-CB 3.71Å; Y252-C260 HydrophobicContact CD2-CB 3.86Å; Y252-C260 HydrophobicContact CE1-CB 4.18Å; Y252-C260 HydrophobicContact CE2-CB 4.31Å; Y252-C260 HydrophobicContact CG-CB 3.53Å
253	R	91.4	Very high	89.1	Confident	78 Å²	78	48.5 Å²	48.5	29%	0.294	25%	0.249	S	C	.	.	H	α-helix	trans	-63.6	-36.9	175.7	-176.7	170.7	-176.7	143	1.9	111.9	S250 M255 G257 R258	S250-R253 PolarHBondContact O-N 3.02Å; S250-R253 WeakPolarHBondContact OG-CB 3.27Å; S250-R253 PolarHBondContact OG-N 3.45Å; R253-M255 VanDerWaalsContact C-N 3.29Å; R253-M255 PolarHBondContact O-N 2.76Å; R253-G257 VanDerWaalsContact O-CA 3.25Å; R253-G257 WeakPolarHBondContact O-CA 3.14Å; R253-G257 PolarHBondContact O-N 3.47Å; R253-R258 WeakPolarHBondContact CA-O 3.23Å; R253-R258 WeakPolarHBondContact CB-O 3.36Å; R253-R258 PolarHBondContact N-O 3Å
254	M	89.3	Confident	88.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-62.2	-36.5	173.9	-72.8	-54.4	-40.8	0	0	112.9	R108 F137 S138 Q249 S250 P251 Y252 V291 L295	R108-M254 WeakPolarHBondContact CD-O 3.47Å; F137-M254 HydrophobicContact CD1-CE 4.31Å; F137-M254 HydrophobicContact CE1-CE 3.66Å; F137-M254 HydrophobicContact CZ-CE 4.15Å; S138-M254 WeakPolarHBondContact O-CB 3.32Å; Q249-M254 HydrophobicContact CB-CG 3.99Å; Q249-M254 HydrophobicContact CB-SD 3.76Å; Q249-M254 HydrophobicContact CG-SD 4.32Å; S250-M254 WeakPolarHBondContact O-CG 3.46Å; S250-M254 PolarHBondContact O-N 3.09Å; P251-M254 WeakPolarHBondContact O-CB 3.29Å; P251-M254 PolarHBondContact O-N 3.41Å; Y252-M254 VanDerWaalsContact C-N 3.26Å; Y252-M254 PolarHBondContact O-N 3.31Å; M254-V291 HydrophobicContact CE-CG1 3.52Å; M254-V291 HydrophobicContact SD-CG1 3.33Å; M254-V291 WeakPolarHBondContact SD-CG1 3.1Å; M254-L295 HydrophobicContact CE-CD2 3.03Å; M254-L295 HydrophobicContact CE-CG 4.42Å; M254-L295 HydrophobicContact SD-CD2 3.61Å
255	M	90.3	Very high	88.4	Confident	14 Å²	14	51.1 Å²	51.1	7%	0.069	26%	0.257	C	S	.	.	H	α-helix	trans	-82.6	-41.9	-178.9	-170.5	60.6	177	0	0	112.6	R108 W109 F140 Y166 P251 Y252 R253	R108-M255 PolarHBondContact NH1-O 2.87Å; W109-M255 HydrophobicContact CD2-CE 4.32Å; W109-M255 HydrophobicContact CE3-CE 3.55Å; W109-M255 HydrophobicContact CE3-SD 4.25Å; W109-M255 HydrophobicContact CZ3-CE 3.73Å; F140-M255 HydrophobicContact CB-CB 4.29Å; F140-M255 HydrophobicContact CD2-CB 3.73Å; F140-M255 HydrophobicContact CD2-CG 4.14Å; F140-M255 HydrophobicContact CE2-CB 4.26Å; F140-M255 HydrophobicContact CE2-CG 4.45Å; F140-M255 HydrophobicContact CG-CB 4.1Å; F140-M255 HydrophobicContact CG-CG 4.2Å; Y166-M255 HydrophobicContact CD1-CE 4.03Å; Y166-M255 HydrophobicContact CG-CE 4.44Å; P251-M255 WeakPolarHBondContact O-CB 3.28Å; P251-M255 PolarHBondContact O-N 3.45Å; Y252-M255 PolarHBondContact O-N 2.67Å; Y252-M255 VanDerWaalsContact O-N 3.13Å; R253-M255 VanDerWaalsContact C-N 3.29Å; R253-M255 PolarHBondContact O-N 2.76Å
256	F	90.2	Very high	88.2	Confident	58 Å²	58	51.4 Å²	51.4	25%	0.254	25%	0.249	S	C	.	.	H	α-helix	trans	-116.9	1.7	-167	-58.8	-66.3	0	0	0	115.3	F140 Y166 Y252 R258 L284	F140-F256 HydrophobicContact CE2-CD2 4.46Å; F140-F256 AromaticContact CE2-CE2 3.69Å; F140-F256 HydrophobicContact CE2-CE2 3.69Å; F140-F256 HydrophobicContact CE2-CZ 4.47Å; F140-F256 AromaticContact CZ-CE2 3.93Å; F140-F256 HydrophobicContact CZ-CE2 3.93Å; F140-F256 HydrophobicContact CZ-CZ 4.33Å; Y166-F256 HydrophobicContact CE1-CZ 4.19Å; Y252-F256 HydrophobicContact CD1-CB 4.31Å; Y252-F256 AromaticContact CD1-CD2 3.79Å; Y252-F256 HydrophobicContact CD1-CD2 3.79Å; Y252-F256 AromaticContact CD2-CD2 3.69Å; Y252-F256 HydrophobicContact CD2-CD2 3.69Å; Y252-F256 AromaticContact CD2-CE2 3.83Å; Y252-F256 HydrophobicContact CD2-CE2 3.83Å; Y252-F256 HydrophobicContact CE1-CB 4.03Å; Y252-F256 AromaticContact CE1-CD2 3.66Å; Y252-F256 HydrophobicContact CE1-CD2 3.66Å; Y252-F256 HydrophobicContact CE1-CG 4.19Å; Y252-F256 AromaticContact CE2-CD2 3.57Å; Y252-F256 HydrophobicContact CE2-CD2 3.57Å; Y252-F256 AromaticContact CE2-CE2 3.65Å; Y252-F256 HydrophobicContact CE2-CE2 3.65Å; Y252-F256 AromaticContact CG-CD2 3.8Å; Y252-F256 HydrophobicContact CG-CD2 3.8Å; Y252-F256 HydrophobicContact CG-CE2 4.37Å; Y252-F256 AromaticContact CZ-CD2 3.56Å; Y252-F256 WeakPolarHBondContact O-CD2 3.38Å; Y252-F256 PolarHBondContact O-N 3.02Å; F256-R258 HydrophobicContact CB-CG 4.49Å; F256-R258 PolarHBondContact O-N 2.94Å; F256-L284 WeakPolarHBondContact O-CD1 3.24Å
257	G	86.9	Confident	88.1	Confident	6 Å²	6	57.7 Å²	57.7	6%	0.062	28%	0.279	C	S	.	.	S	Bend	trans	71.9	5.2	176.2	0	0	0	0	0	115.8	R253	R253-G257 VanDerWaalsContact O-CA 3.25Å; R253-G257 WeakPolarHBondContact O-CA 3.14Å; R253-G257 PolarHBondContact O-N 3.47Å
258	R	87.9	Confident	87.3	Confident	102 Å²	102	62 Å²	62	39%	0.385	30%	0.302	S	S	.	.	S	Bend	trans	-141.5	161.7	-179.1	67.7	177.6	-175.6	-88.2	-3.1	111.4	Y252 R253 F256	Y252-R258 WeakPolarHBondContact CD1-O 3.36Å; Y252-R258 HydrophobicContact CE1-CG 4.12Å; Y252-R258 PolarHBondContact OH-NH2 3.02Å; R253-R258 WeakPolarHBondContact CA-O 3.23Å; R253-R258 WeakPolarHBondContact CB-O 3.36Å; R253-R258 PolarHBondContact N-O 3Å; F256-R258 HydrophobicContact CB-CG 4.49Å; F256-R258 PolarHBondContact O-N 2.94Å
259	Q	89.1	Confident	86	Confident	82 Å²	82	70 Å²	70	38%	0.383	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-68.7	145.5	174.1	-171.1	55.5	21.8	0	0	111	A241 S250 R261	A241-Q259 PolarHBondContact O-NE2 3.35Å; S250-Q259 PolarHBondContact OG-OE1 3.24Å; Q259-R261 PolarHBondContact O-N 2.87Å
260	C	91.2	Very high	84.7	Confident	9 Å²	9	74.4 Å²	74.4	6%	0.061	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-67.6	126.1	171.8	-170.5	0	0	0	0	108.5	A241 Y252	A241-C260 HydrophobicContact CB-CB 3.86Å; Y252-C260 HydrophobicContact CD1-CB 3.71Å; Y252-C260 HydrophobicContact CD2-CB 3.86Å; Y252-C260 HydrophobicContact CE1-CB 4.18Å; Y252-C260 HydrophobicContact CE2-CB 4.31Å; Y252-C260 HydrophobicContact CG-CB 3.53Å
261	R	88.3	Confident	83.2	Confident	150 Å²	150	77.8 Å²	77.8	57%	0.566	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-74.1	124.5	171.5	-83.5	-165.9	152.3	-166.2	-4.3	109.8	Q259 D265 T272	Q259-R261 PolarHBondContact O-N 2.87Å; R261-D265 WeakPolarHBondContact CA-OD2 3.44Å; R261-T272 PolarHBondContact NH2-OG1 2.91Å
262	L	90.5	Very high	81.8	Confident	31 Å²	31	81.2 Å²	81.2	16%	0.162	40%	0.395	C	S	.	.			trans	-107.6	164.7	177.7	-62.2	176.2	0	0	0	110.6	M237 A241 E264 D265	M237-L262 HydrophobicContact CE-CD2 3.94Å; M237-L262 HydrophobicContact CG-CD2 3.94Å; M237-L262 HydrophobicContact SD-CD2 4.19Å; A241-L262 HydrophobicContact CB-CD1 3.97Å; A241-L262 HydrophobicContact CB-CD2 3.94Å; A241-L262 HydrophobicContact CB-CG 4.26Å; L262-E264 VanDerWaalsContact CB-CD 3.47Å; L262-E264 HydrophobicContact CB-CG 4.13Å; L262-E264 WeakPolarHBondContact CB-OE2 3.5Å; L262-E264 WeakPolarHBondContact CD1-OE1 3.34Å; L262-E264 PolarHBondContact O-N 3.09Å; L262-D265 PolarHBondContact N-OD2 2.85Å; L262-D265 WeakPolarHBondContact O-CB 3.43Å; L262-D265 PolarHBondContact O-N 3Å
263	P	87.1	Confident	80.5	Confident	85 Å²	85	82.8 Å²	82.8	55%	0.552	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-53	-37.2	178.2	-28.6	37.1	0	0	0	114.2	D265 I266	P263-D265 VanDerWaalsContact C-N 3.29Å; P263-D265 PolarHBondContact O-N 3.1Å; P263-I266 WeakPolarHBondContact O-CB 3.4Å; P263-I266 PolarHBondContact O-N 3.18Å
264	E	84	Confident	79.5	Confident	118 Å²	118	86.2 Å²	86.2	55%	0.551	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-66	-26.3	176.5	56.7	-93.5	-142.2	0	0	113.8	L262 I266	L262-E264 VanDerWaalsContact CB-CD 3.47Å; L262-E264 HydrophobicContact CB-CG 4.13Å; L262-E264 WeakPolarHBondContact CB-OE2 3.5Å; L262-E264 WeakPolarHBondContact CD1-OE1 3.34Å; L262-E264 PolarHBondContact O-N 3.09Å; E264-I266 PolarHBondContact O-N 3.5Å
265	D	84.6	Confident	78.6	Confident	68 Å²	68	92.3 Å²	92.3	36%	0.364	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-74.2	-9.8	177.9	-60.8	-38.6	0	0	0	112.6	R261 L262 P263 I267	R261-D265 WeakPolarHBondContact CA-OD2 3.44Å; L262-D265 PolarHBondContact N-OD2 2.85Å; L262-D265 WeakPolarHBondContact O-CB 3.43Å; L262-D265 PolarHBondContact O-N 3Å; P263-D265 VanDerWaalsContact C-N 3.29Å; P263-D265 PolarHBondContact O-N 3.1Å; D265-I267 VanDerWaalsContact C-N 3.32Å
266	I	79.7	Confident	78.3	Confident	111 Å²	111	94.3 Å²	94.3	57%	0.569	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-77.1	-22.8	-179.4	-59.1	175.2	0	0	0	111.3	P263 E264 D268 R269	P263-I266 WeakPolarHBondContact O-CB 3.4Å; P263-I266 PolarHBondContact O-N 3.18Å; E264-I266 PolarHBondContact O-N 3.5Å; I266-D268 PolarHBondContact O-N 3.15Å; I266-R269 PolarHBondContact O-N 2.86Å
267	I	78.4	Confident	78	Confident	154 Å²	154	96.7 Å²	96.7	79%	0.79	50%	0.503	S	S	*	.	S	Bend	trans	-61.7	-31.8	-175.9	-58.5	172.9	0	0	0	111	D265	D265-I267 VanDerWaalsContact C-N 3.32Å
268	D	67.4	Low	78	Confident	95 Å²	95	103.9 Å²	103.9	51%	0.508	53%	0.533	S	S	.	.			trans	-102.9	64.3	176.2	-173.9	21.2	0	0	0	111.2	I266 D270 S271	I266-D268 PolarHBondContact O-N 3.15Å; D268-D270 VanDerWaalsContact C-N 3.34Å; D268-S271 WeakPolarHBondContact OD1-CB 3.19Å; D268-S271 PolarHBondContact OD1-OG 3.18Å; D268-S271 WeakPolarHBondContact OD2-CB 3.12Å; D268-S271 PolarHBondContact OD2-OG 2.97Å
269	R	59.3	Low	77.9	Confident	192 Å²	192	107.5 Å²	107.5	73%	0.725	55%	0.546	S	S	*	.			trans	-70.9	-32.9	-177.9	-153.8	177.6	-176.5	-175.1	0.1	112.2	I266 S271 T272	I266-R269 PolarHBondContact O-N 2.86Å; R269-S271 PolarHBondContact O-N 3.04Å; R269-T272 PolarHBondContact O-OG1 3.09Å
270	D	61.7	Low	77.6	Confident	163 Å²	163	108 Å²	108	87%	0.872	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-17.3	-168.1	-66.7	-21.6	0	0	0	113.7	D268 T272	D268-D270 VanDerWaalsContact C-N 3.34Å; D270-T272 PolarHBondContact O-N 3.2Å
271	S	61.8	Low	77.4	Confident	72 Å²	72	111.2 Å²	111.2	50%	0.503	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85	-0.4	-178.8	72.3	0	0	0	0	114.8	D268 R269 P273	D268-S271 WeakPolarHBondContact OD1-CB 3.19Å; D268-S271 PolarHBondContact OD1-OG 3.18Å; D268-S271 WeakPolarHBondContact OD2-CB 3.12Å; D268-S271 PolarHBondContact OD2-OG 2.97Å; R269-S271 PolarHBondContact O-N 3.04Å; S271-P273 WeakPolarHBondContact O-CD 3.27Å
272	T	65.2	Low	77.4	Confident	73 Å²	73	107.8 Å²	107.8	45%	0.448	56%	0.555	S	S	.	*			trans	-81.8	105.4	-176.7	-28.6	0	0	0	0	110.5	R261 R269 D270 T274	R261-T272 PolarHBondContact NH2-OG1 2.91Å; R269-T272 PolarHBondContact O-OG1 3.09Å; D270-T272 PolarHBondContact O-N 3.2Å; T272-T274 PolarHBondContact O-N 3.35Å
273	P	66.4	Low	77.2	Confident	77 Å²	77	110 Å²	110	50%	0.5	56%	0.564	S	S	.	*			trans	-70	132.1	-176.5	20.1	-15.9	0	0	0	110	S271 R275	S271-P273 WeakPolarHBondContact O-CD 3.27Å; P273-R275 WeakPolarHBondContact O-CG 3.15Å; P273-R275 PolarHBondContact O-N 3.08Å; P273-R275 VanDerWaalsContact O-N 3.12Å
274	T	69.3	Low	77.2	Confident	150 Å²	150	108 Å²	108	92%	0.92	55%	0.549	S	S	*	.			trans	-61.8	112.5	170.6	-56	0	0	0	0	108.8	T272	T272-T274 PolarHBondContact O-N 3.35Å
275	R	71.7	Confident	77.3	Confident	129 Å²	129	106.6 Å²	106.6	49%	0.487	54%	0.544	S	S	.	.			trans	-107.8	137.7	-179.8	-66.6	175.7	-167.8	174.3	9.5	109.9	P273	P273-R275 WeakPolarHBondContact O-CG 3.15Å; P273-R275 PolarHBondContact O-N 3.08Å; P273-R275 VanDerWaalsContact O-N 3.12Å
276	A	83.2	Confident	77.4	Confident	55 Å²	55	110.8 Å²	110.8	46%	0.455	56%	0.555	S	S	.	*			trans	-58.8	138	167.9	0	0	0	0	0	110.1	K278 R279 Y280	A276-K278 VanDerWaalsContact C-N 3.26Å; A276-K278 PolarHBondContact O-N 2.79Å; A276-K278 VanDerWaalsContact O-N 3.14Å; A276-R279 PolarHBondContact O-N 3.14Å; A276-R279 VanDerWaalsContact O-N 3.07Å; A276-Y280 PolarHBondContact O-N 2.86Å; A276-Y280 VanDerWaalsContact O-N 3.11Å
277	P	84.6	Confident	77.6	Confident	108 Å²	108	106.5 Å²	106.5	70%	0.701	54%	0.536	S	S	*	.	H	α-helix	trans	-52.5	-40.2	-175.5	-29.8	35	0	0	0	114.1	Y280 V281	P277-Y280 WeakPolarHBondContact O-CB 3.4Å; P277-Y280 PolarHBondContact O-N 3.1Å; P277-V281 WeakPolarHBondContact O-CG2 3.43Å; P277-V281 PolarHBondContact O-N 3.32Å
278	K	86.7	Confident	77.9	Confident	158 Å²	158	100.4 Å²	100.4	69%	0.687	51%	0.505	S	S	*	.	H	α-helix	trans	-61.7	-48	178.2	-172.9	178.7	178	-178.5	0	112.5	A276 Y280 V281 E282	A276-K278 VanDerWaalsContact C-N 3.26Å; A276-K278 PolarHBondContact O-N 2.79Å; A276-K278 VanDerWaalsContact O-N 3.14Å; K278-Y280 VanDerWaalsContact C-N 3.27Å; K278-Y280 PolarHBondContact O-N 2.77Å; K278-V281 PolarHBondContact O-N 3.42Å; K278-E282 WeakPolarHBondContact CE-OE1 3.17Å; K278-E282 WeakPolarHBondContact O-CG 2.95Å; K278-E282 PolarHBondContact O-N 3.1Å
279	R	86.1	Confident	78.8	Confident	177 Å²	177	100.6 Å²	100.6	67%	0.668	51%	0.506	S	S	*	.	H	α-helix	trans	-62.3	-36.3	177.4	-73.9	-172.8	174.5	172.1	-0.7	111.6	A276 Q283	A276-R279 PolarHBondContact O-N 3.14Å; A276-R279 VanDerWaalsContact O-N 3.07Å; R279-Q283 WeakPolarHBondContact O-CB 3.35Å; R279-Q283 VanDerWaalsContact O-CG 3.26Å; R279-Q283 WeakPolarHBondContact O-CG 3.45Å; R279-Q283 PolarHBondContact O-N 2.89Å
280	Y	83.5	Confident	79.9	Confident	93 Å²	93	96.2 Å²	96.2	37%	0.365	49%	0.494	S	S	.	.	H	α-helix	trans	-62.9	-47	174.8	172.8	-99.4	0	0	0	112	A276 P277 K278 E282 Q283 L284	A276-Y280 PolarHBondContact O-N 2.86Å; A276-Y280 VanDerWaalsContact O-N 3.11Å; P277-Y280 WeakPolarHBondContact O-CB 3.4Å; P277-Y280 PolarHBondContact O-N 3.1Å; K278-Y280 VanDerWaalsContact C-N 3.27Å; K278-Y280 PolarHBondContact O-N 2.77Å; Y280-E282 PolarHBondContact O-N 2.97Å; Y280-Q283 PolarHBondContact O-N 3.25Å; Y280-L284 HydrophobicContact CE1-CD2 4.25Å; Y280-L284 WeakPolarHBondContact O-CB 3.27Å; Y280-L284 PolarHBondContact O-N 3.4Å
281	V	86.3	Confident	80.8	Confident	76 Å²	76	89 Å²	89	46%	0.461	46%	0.456	S	S	.	.	H	α-helix	trans	-61.9	-44.9	178.5	173.8	0	0	0	0	111.3	P277 K278 Q283 L284 I285	P277-V281 WeakPolarHBondContact O-CG2 3.43Å; P277-V281 PolarHBondContact O-N 3.32Å; K278-V281 PolarHBondContact O-N 3.42Å; V281-Q283 VanDerWaalsContact C-N 3.32Å; V281-Q283 PolarHBondContact O-N 2.78Å; V281-L284 WeakPolarHBondContact O-CB 3.24Å; V281-L284 PolarHBondContact O-N 2.93Å; V281-L284 VanDerWaalsContact O-N 3.17Å; V281-I285 HydrophobicContact CG1-CD1 3.88Å; V281-I285 HydrophobicContact CG1-CG1 4.43Å; V281-I285 WeakPolarHBondContact O-CG1 3.43Å; V281-I285 PolarHBondContact O-N 3.23Å
282	E	87.9	Confident	81.7	Confident	78 Å²	78	87.6 Å²	87.6	36%	0.364	44%	0.442	S	S	.	.	H	α-helix	trans	-62.4	-36.9	177.3	-70.9	170.6	-170.6	0	0	113	K278 Y280 R286	K278-E282 WeakPolarHBondContact CE-OE1 3.17Å; K278-E282 WeakPolarHBondContact O-CG 2.95Å; K278-E282 PolarHBondContact O-N 3.1Å; Y280-E282 PolarHBondContact O-N 2.97Å; E282-R286 WeakPolarHBondContact O-CB 3.43Å; E282-R286 WeakPolarHBondContact O-CG 3.44Å; E282-R286 PolarHBondContact O-N 3.27Å; E282-R286 PolarHBondContact O-NE 2.98Å; E282-R286 IonicContact OE2-NH2 3.39Å
283	Q	86	Confident	82.4	Confident	78 Å²	78	86.5 Å²	86.5	36%	0.364	45%	0.446	S	S	.	.	H	α-helix	trans	-70.6	-38.3	174.3	-74.4	173.7	-0.3	0	0	111.6	R279 Y280 V281 R286 A287	R279-Q283 WeakPolarHBondContact O-CB 3.35Å; R279-Q283 VanDerWaalsContact O-CG 3.26Å; R279-Q283 WeakPolarHBondContact O-CG 3.45Å; R279-Q283 PolarHBondContact O-N 2.89Å; Y280-Q283 PolarHBondContact O-N 3.25Å; V281-Q283 VanDerWaalsContact C-N 3.32Å; V281-Q283 PolarHBondContact O-N 2.78Å; Q283-R286 PolarHBondContact O-N 3.06Å; Q283-A287 WeakPolarHBondContact O-CB 3.44Å; Q283-A287 PolarHBondContact O-N 2.9Å
284	L	86.8	Confident	82.9	Confident	42 Å²	42	89.2 Å²	89.2	22%	0.22	45%	0.45	C	S	.	.	H	α-helix	trans	-65	-43.2	177.8	179.9	62.7	0	0	0	111.6	F256 Y280 V281 A287 L288	F256-L284 WeakPolarHBondContact O-CD1 3.24Å; Y280-L284 HydrophobicContact CE1-CD2 4.25Å; Y280-L284 WeakPolarHBondContact O-CB 3.27Å; Y280-L284 PolarHBondContact O-N 3.4Å; V281-L284 WeakPolarHBondContact O-CB 3.24Å; V281-L284 PolarHBondContact O-N 2.93Å; V281-L284 VanDerWaalsContact O-N 3.17Å; L284-A287 PolarHBondContact O-N 3.19Å; L284-L288 HydrophobicContact CG-CD1 4.33Å; L284-L288 WeakPolarHBondContact O-CG 3.49Å; L284-L288 PolarHBondContact O-N 3.16Å
285	I	87.5	Confident	83.2	Confident	90 Å²	90	82.3 Å²	82.3	46%	0.462	41%	0.407	S	S	.	.	H	α-helix	trans	-59.6	-51.5	174.6	-68.4	167.3	0	0	0	109.6	V281 A287 L288 D289	V281-I285 HydrophobicContact CG1-CD1 3.88Å; V281-I285 HydrophobicContact CG1-CG1 4.43Å; V281-I285 WeakPolarHBondContact O-CG1 3.43Å; V281-I285 PolarHBondContact O-N 3.23Å; I285-A287 VanDerWaalsContact C-N 3.3Å; I285-A287 PolarHBondContact O-N 3.36Å; I285-L288 PolarHBondContact O-N 2.78Å; I285-L288 VanDerWaalsContact O-N 3.1Å; I285-D289 PolarHBondContact O-N 3.47Å
286	R	87.1	Confident	83.6	Confident	155 Å²	155	79.4 Å²	79.4	59%	0.585	40%	0.399	S	S	*	.	H	α-helix	trans	-56.2	-42.5	176.6	-77.7	-176.6	-95.1	-161.3	-8.3	112.8	E282 Q283 D289 E290	E282-R286 WeakPolarHBondContact O-CB 3.43Å; E282-R286 WeakPolarHBondContact O-CG 3.44Å; E282-R286 PolarHBondContact O-N 3.27Å; E282-R286 PolarHBondContact O-NE 2.98Å; E282-R286 IonicContact OE2-NH2 3.39Å; Q283-R286 PolarHBondContact O-N 3.06Å; R286-D289 PolarHBondContact O-N 3.13Å; R286-E290 WeakPolarHBondContact O-CB 3.36Å; R286-E290 PolarHBondContact O-N 3.26Å
287	A	82.6	Confident	83.4	Confident	21 Å²	21	79.5 Å²	79.5	17%	0.174	40%	0.396	C	S	.	.	H	α-helix	trans	-65.8	-39.3	177.6	0	0	0	0	0	112.4	Q283 L284 I285 V291	Q283-A287 WeakPolarHBondContact O-CB 3.44Å; Q283-A287 PolarHBondContact O-N 2.9Å; L284-A287 PolarHBondContact O-N 3.19Å; I285-A287 VanDerWaalsContact C-N 3.3Å; I285-A287 PolarHBondContact O-N 3.36Å; A287-V291 WeakPolarHBondContact O-CB 3.25Å; A287-V291 WeakPolarHBondContact O-CG2 3.41Å; A287-V291 PolarHBondContact O-N 3.37Å
288	L	85.7	Confident	83.3	Confident	26 Å²	26	79.7 Å²	79.7	14%	0.136	38%	0.383	C	S	.	.	H	α-helix	trans	-67.2	-41.7	175.4	-75.9	171.1	0	0	0	111.7	L284 I285 V291 N292	L284-L288 HydrophobicContact CG-CD1 4.33Å; L284-L288 WeakPolarHBondContact O-CG 3.49Å; L284-L288 PolarHBondContact O-N 3.16Å; I285-L288 PolarHBondContact O-N 2.78Å; I285-L288 VanDerWaalsContact O-N 3.1Å; L288-V291 PolarHBondContact O-N 3.02Å; L288-N292 VanDerWaalsContact O-CB 3.28Å; L288-N292 WeakPolarHBondContact O-CB 3.25Å; L288-N292 PolarHBondContact O-N 3.23Å; L288-N292 PolarHBondContact O-ND2 3.49Å; L288-N292 VanDerWaalsContact O-ND2 3.16Å
289	D	85.8	Confident	83	Confident	100 Å²	100	73.2 Å²	73.2	54%	0.535	36%	0.356	S	S	.	.	H	α-helix	trans	-65.3	-42	177.2	-70.6	-25.4	0	0	0	111.6	I285 R286 N292 G293	I285-D289 PolarHBondContact O-N 3.47Å; R286-D289 PolarHBondContact O-N 3.13Å; D289-N292 PolarHBondContact O-N 3.19Å; D289-G293 PolarHBondContact O-N 2.81Å
290	E	82.3	Confident	82.7	Confident	100 Å²	100	67.5 Å²	67.5	47%	0.467	35%	0.347	S	S	.	.	H	α-helix	trans	-61.1	-46.9	175	-171.4	-166.5	166.4	0	0	111.6	R286 K294	R286-E290 WeakPolarHBondContact O-CB 3.36Å; R286-E290 PolarHBondContact O-N 3.26Å; E290-K294 HydrophobicContact CG-CD 4.21Å; E290-K294 WeakPolarHBondContact O-CB 3.29Å; E290-K294 PolarHBondContact O-N 3.05Å; E290-K294 VanDerWaalsContact O-N 3.12Å; E290-K294 IonicContact OE1-NZ 3.86Å; E290-K294 PolarHBondContact OE1-NZ 2.77Å
291	V	79.4	Confident	82.8	Confident	11 Å²	11	70.1 Å²	70.1	7%	0.067	36%	0.36	C	S	.	.	H	α-helix	trans	-62	-47.4	177.1	167.1	0	0	0	0	110.2	M254 A287 L288 L295	M254-V291 HydrophobicContact CE-CG1 3.52Å; M254-V291 HydrophobicContact SD-CG1 3.33Å; M254-V291 WeakPolarHBondContact SD-CG1 3.1Å; A287-V291 WeakPolarHBondContact O-CB 3.25Å; A287-V291 WeakPolarHBondContact O-CG2 3.41Å; A287-V291 PolarHBondContact O-N 3.37Å; L288-V291 PolarHBondContact O-N 3.02Å; V291-L295 WeakPolarHBondContact O-CB 3.31Å; V291-L295 PolarHBondContact O-N 3.34Å
292	N	81.9	Confident	82.6	Confident	42 Å²	42	69.1 Å²	69.1	23%	0.225	35%	0.35	C	S	.	.	H	α-helix	trans	-62.1	-49.7	179.7	-75	-28.5	0	0	0	111.7	L288 D289 L295 Q296	L288-N292 VanDerWaalsContact O-CB 3.28Å; L288-N292 WeakPolarHBondContact O-CB 3.25Å; L288-N292 PolarHBondContact O-N 3.23Å; L288-N292 PolarHBondContact O-ND2 3.49Å; L288-N292 VanDerWaalsContact O-ND2 3.16Å; D289-N292 PolarHBondContact O-N 3.19Å; N292-L295 PolarHBondContact O-N 2.99Å; N292-Q296 WeakPolarHBondContact O-CG 3.33Å; N292-Q296 PolarHBondContact O-N 3.07Å
293	G	79.6	Confident	82.2	Confident	50 Å²	50	66.1 Å²	66.1	52%	0.515	34%	0.338	S	S	.	.	H	α-helix	trans	-61.8	-49.8	-176.9	0	0	0	0	0	112.9	D289 L295	D289-G293 PolarHBondContact O-N 2.81Å; G293-L295 VanDerWaalsContact C-N 3.3Å; G293-L295 PolarHBondContact O-N 3.31Å
294	K	77.7	Confident	82.2	Confident	135 Å²	135	64.4 Å²	64.4	59%	0.587	34%	0.338	S	S	*	.	H	α-helix	trans	-63.4	-38.9	176.3	-70.8	177.5	180	173	0	111.2	E290 S297 R298	E290-K294 HydrophobicContact CG-CD 4.21Å; E290-K294 WeakPolarHBondContact O-CB 3.29Å; E290-K294 PolarHBondContact O-N 3.05Å; E290-K294 VanDerWaalsContact O-N 3.12Å; E290-K294 IonicContact OE1-NZ 3.86Å; E290-K294 PolarHBondContact OE1-NZ 2.77Å; K294-S297 PolarHBondContact O-OG 3.03Å; K294-R298 PolarHBondContact O-N 2.88Å
295	L	75.8	Confident	82.2	Confident	5 Å²	5	68.5 Å²	68.5	3%	0.026	35%	0.35	C	S	.	.	H	α-helix	trans	-73.1	-41	-174.3	-177.1	66.1	0	0	0	114	F137 T247 M254 V291 N292 G293 S297 R298 I299	F137-L295 HydrophobicContact CE1-CD2 4.19Å; F137-L295 HydrophobicContact CE2-CD2 3.97Å; F137-L295 HydrophobicContact CZ-CD2 3.71Å; T247-L295 HydrophobicContact CG2-CD1 4Å; T247-L295 HydrophobicContact CG2-CD2 4.4Å; M254-L295 HydrophobicContact CE-CD2 3.03Å; M254-L295 HydrophobicContact CE-CG 4.42Å; M254-L295 HydrophobicContact SD-CD2 3.61Å; V291-L295 WeakPolarHBondContact O-CB 3.31Å; V291-L295 PolarHBondContact O-N 3.34Å; N292-L295 PolarHBondContact O-N 2.99Å; G293-L295 VanDerWaalsContact C-N 3.3Å; G293-L295 PolarHBondContact O-N 3.31Å; L295-S297 PolarHBondContact O-N 3.44Å; L295-R298 CarbonylContact O-C 3.23Å; L295-R298 PolarHBondContact O-N 3.41Å; L295-I299 HydrophobicContact CD1-CD1 3.81Å; L295-I299 HydrophobicContact CD1-CG1 3.63Å; L295-I299 HydrophobicContact CD2-CD1 3.73Å; L295-I299 HydrophobicContact CD2-CG1 4.47Å; L295-I299 HydrophobicContact CG-CD1 3.51Å; L295-I299 HydrophobicContact CG-CG1 3.76Å; L295-I299 PolarHBondContact O-N 2.87Å
296	Q	78.8	Confident	82	Confident	67 Å²	67	67.3 Å²	67.3	31%	0.313	34%	0.343	S	S	.	.	H	α-helix	trans	-53	-45.9	177.5	-71.8	-55.8	-29.4	0	0	111	T106 F137 N292 R298 A300	T106-Q296 PolarHBondContact O-NE2 2.89Å; F137-Q296 VanDerWaalsContact CE2-NE2 3.26Å; N292-Q296 WeakPolarHBondContact O-CG 3.33Å; N292-Q296 PolarHBondContact O-N 3.07Å; Q296-R298 VanDerWaalsContact C-N 3.32Å; Q296-R298 PolarHBondContact O-N 3.3Å; Q296-A300 VanDerWaalsContact O-CB 3.25Å; Q296-A300 WeakPolarHBondContact O-CB 3.24Å; Q296-A300 PolarHBondContact O-N 3.23Å
297	S	80.4	Confident	81.9	Confident	57 Å²	57	62.7 Å²	62.7	40%	0.399	33%	0.327	S	S	.	.	H	α-helix	trans	-62.1	-39.2	177.9	81.8	0	0	0	0	112.1	K294 L295 K301	K294-S297 PolarHBondContact O-OG 3.03Å; L295-S297 PolarHBondContact O-N 3.44Å; S297-K301 WeakPolarHBondContact O-CB 3.38Å; S297-K301 WeakPolarHBondContact O-CG 3.45Å; S297-K301 PolarHBondContact O-N 3.5Å
298	R	81.9	Confident	82.1	Confident	112 Å²	112	71 Å²	71	42%	0.423	35%	0.354	S	S	.	.	H	α-helix	trans	-73.2	-45.9	-179.7	-170.9	174.5	-175.6	158.3	1.6	112.2	K294 L295 Q296 A300 K301 E302	K294-R298 PolarHBondContact O-N 2.88Å; L295-R298 CarbonylContact O-C 3.23Å; L295-R298 PolarHBondContact O-N 3.41Å; Q296-R298 VanDerWaalsContact C-N 3.32Å; Q296-R298 PolarHBondContact O-N 3.3Å; R298-A300 VanDerWaalsContact C-N 3.33Å; R298-A300 PolarHBondContact O-N 3.12Å; R298-K301 PolarHBondContact O-N 3.33Å; R298-E302 HydrophobicContact CG-CG 4.5Å; R298-E302 WeakPolarHBondContact O-CB 3.32Å; R298-E302 WeakPolarHBondContact O-CG 3.31Å; R298-E302 PolarHBondContact O-N 3.01Å
299	I	79.7	Confident	82.2	Confident	22 Å²	22	76 Å²	76	11%	0.113	37%	0.372	C	S	.	.	H	α-helix	trans	-61.3	-44.5	177	-69.6	179.9	0	0	0	109.9	V104 F137 L295 E302 A303	V104-I299 HydrophobicContact CG1-CG2 3.43Å; V104-I299 VanDerWaalsContact CG1-CG2 3.43Å; V104-I299 HydrophobicContact CG2-CG2 4.43Å; F137-I299 HydrophobicContact CD2-CD1 4.15Å; F137-I299 HydrophobicContact CE2-CD1 4.12Å; L295-I299 HydrophobicContact CD1-CD1 3.81Å; L295-I299 HydrophobicContact CD1-CG1 3.63Å; L295-I299 HydrophobicContact CD2-CD1 3.73Å; L295-I299 HydrophobicContact CD2-CG1 4.47Å; L295-I299 HydrophobicContact CG-CD1 3.51Å; L295-I299 HydrophobicContact CG-CG1 3.76Å; L295-I299 PolarHBondContact O-N 2.87Å; I299-E302 PolarHBondContact O-N 3.17Å; I299-A303 WeakPolarHBondContact O-CB 3.24Å; I299-A303 PolarHBondContact O-N 2.82Å
300	A	80.4	Confident	82	Confident	58 Å²	58	74.3 Å²	74.3	48%	0.479	36%	0.359	S	S	.	.	H	α-helix	trans	-62.3	-45.6	176.9	0	0	0	0	0	111.9	Q296 R298 A303 A304	Q296-A300 VanDerWaalsContact O-CB 3.25Å; Q296-A300 WeakPolarHBondContact O-CB 3.24Å; Q296-A300 PolarHBondContact O-N 3.23Å; R298-A300 VanDerWaalsContact C-N 3.33Å; R298-A300 PolarHBondContact O-N 3.12Å; A300-A303 PolarHBondContact O-N 3.32Å; A300-A304 WeakPolarHBondContact O-CB 3.47Å; A300-A304 PolarHBondContact O-N 3Å
301	K	85.2	Confident	82.2	Confident	147 Å²	147	71.3 Å²	71.3	64%	0.639	35%	0.346	S	S	*	.	H	α-helix	trans	-61.9	-46.5	176.4	-76.5	173.1	-176	-179.6	0	112.3	S297 R298 A304 R305	S297-K301 WeakPolarHBondContact O-CB 3.38Å; S297-K301 WeakPolarHBondContact O-CG 3.45Å; S297-K301 PolarHBondContact O-N 3.5Å; R298-K301 PolarHBondContact O-N 3.33Å; K301-A304 PolarHBondContact O-N 3.21Å; K301-R305 WeakPolarHBondContact O-CB 3.37Å; K301-R305 PolarHBondContact O-N 3.23Å
302	E	82	Confident	82.5	Confident	56 Å²	56	80.1 Å²	80.1	26%	0.262	38%	0.378	S	S	.	.	H	α-helix	trans	-67.5	-39.1	178.3	-76.5	-57.9	139.7	0	0	112	R298 I299 R305 Q306	R298-E302 HydrophobicContact CG-CG 4.5Å; R298-E302 WeakPolarHBondContact O-CB 3.32Å; R298-E302 WeakPolarHBondContact O-CG 3.31Å; R298-E302 PolarHBondContact O-N 3.01Å; I299-E302 PolarHBondContact O-N 3.17Å; E302-R305 PolarHBondContact O-N 2.83Å; E302-R305 IonicContact OE2-NH1 3.85Å; E302-Q306 WeakPolarHBondContact O-CB 3.28Å; E302-Q306 VanDerWaalsContact O-CG 3.24Å; E302-Q306 WeakPolarHBondContact O-CG 3.33Å; E302-Q306 PolarHBondContact O-N 3.48Å
303	A	80	Confident	82.5	Confident	14 Å²	14	80.4 Å²	80.4	12%	0.116	39%	0.39	C	S	.	.	H	α-helix	trans	-62.6	-43.5	173.9	0	0	0	0	0	111.3	P102 V104 I299 A300 Q306 K307	P102-A303 HydrophobicContact CB-CB 4.25Å; V104-A303 HydrophobicContact CG2-CB 3.88Å; I299-A303 WeakPolarHBondContact O-CB 3.24Å; I299-A303 PolarHBondContact O-N 2.82Å; A300-A303 PolarHBondContact O-N 3.32Å; A303-Q306 PolarHBondContact O-N 3.28Å; A303-K307 VanDerWaalsContact O-CB 3.25Å; A303-K307 WeakPolarHBondContact O-CB 3.41Å; A303-K307 PolarHBondContact O-N 2.92Å
304	A	85.7	Confident	82.6	Confident	43 Å²	43	79 Å²	79	36%	0.355	38%	0.375	S	S	.	.	H	α-helix	trans	-64.4	-41.8	175.4	0	0	0	0	0	111.9	A300 K301 K307 R308	A300-A304 WeakPolarHBondContact O-CB 3.47Å; A300-A304 PolarHBondContact O-N 3Å; K301-A304 PolarHBondContact O-N 3.21Å; A304-K307 PolarHBondContact O-N 3.27Å; A304-R308 VanDerWaalsContact O-CG 3.31Å; A304-R308 WeakPolarHBondContact O-CG 3.3Å; A304-R308 PolarHBondContact O-N 3.29Å
305	R	87.3	Confident	82.8	Confident	127 Å²	127	76.8 Å²	76.8	48%	0.479	37%	0.369	S	S	.	.	H	α-helix	trans	-60.8	-51.9	174.9	-177.8	176.8	175.8	-115.3	-2.5	111.1	K301 E302 K307 R308 Y309	K301-R305 WeakPolarHBondContact O-CB 3.37Å; K301-R305 PolarHBondContact O-N 3.23Å; E302-R305 PolarHBondContact O-N 2.83Å; E302-R305 IonicContact OE2-NH1 3.85Å; R305-K307 VanDerWaalsContact C-N 3.3Å; R305-K307 PolarHBondContact O-N 3.38Å; R305-R308 PolarHBondContact O-N 2.77Å; R305-Y309 HydrophobicContact CG-CD2 3.84Å; R305-Y309 HydrophobicContact CG-CE2 3.66Å; R305-Y309 VanDerWaalsContact O-CD2 3.24Å; R305-Y309 WeakPolarHBondContact O-CD2 3.45Å; R305-Y309 PolarHBondContact O-N 3.32Å
306	Q	82.9	Confident	83	Confident	66 Å²	66	79.3 Å²	79.3	31%	0.308	39%	0.385	S	S	.	.	H	α-helix	trans	-58	-43.2	177.2	-73.3	173.8	27.6	0	0	111.7	E302 A303 Y309 Y310	E302-Q306 WeakPolarHBondContact O-CB 3.28Å; E302-Q306 VanDerWaalsContact O-CG 3.24Å; E302-Q306 WeakPolarHBondContact O-CG 3.33Å; E302-Q306 PolarHBondContact O-N 3.48Å; A303-Q306 PolarHBondContact O-N 3.28Å; Q306-Y309 PolarHBondContact O-N 3.36Å; Q306-Y310 WeakPolarHBondContact O-CB 3.42Å; Q306-Y310 PolarHBondContact O-N 3.45Å
307	K	84.7	Confident	83.1	Confident	58 Å²	58	78.9 Å²	78.9	25%	0.252	38%	0.383	S	S	.	.	H	α-helix	trans	-59.2	-49.3	175	179.8	169.5	176.8	52.8	0	111.7	L100 A303 A304 R305 Y309 Y310 D311	L100-K307 HydrophobicContact CB-CG 4.49Å; L100-K307 HydrophobicContact CD2-CB 4.48Å; L100-K307 PolarHBondContact O-NZ 2.95Å; A303-K307 VanDerWaalsContact O-CB 3.25Å; A303-K307 WeakPolarHBondContact O-CB 3.41Å; A303-K307 PolarHBondContact O-N 2.92Å; A304-K307 PolarHBondContact O-N 3.27Å; R305-K307 VanDerWaalsContact C-N 3.3Å; R305-K307 PolarHBondContact O-N 3.38Å; K307-Y309 PolarHBondContact O-N 3.32Å; K307-Y310 PolarHBondContact O-N 2.89Å; K307-D311 WeakPolarHBondContact CE-OD2 3.39Å; K307-D311 WeakPolarHBondContact CG-OD2 3.29Å; K307-D311 IonicContact NZ-OD1 3.32Å; K307-D311 IonicContact NZ-OD2 2.81Å; K307-D311 PolarHBondContact NZ-OD2 3.24Å; K307-D311 VanDerWaalsContact O-CB 3.23Å; K307-D311 WeakPolarHBondContact O-CB 3.43Å; K307-D311 PolarHBondContact O-N 3.48Å
308	R	87.6	Confident	83.2	Confident	194 Å²	194	84.5 Å²	84.5	73%	0.732	40%	0.404	S	S	*	.	H	α-helix	trans	-58.6	-43.7	177.7	-73.6	173.4	-177.5	-178.2	0.8	112.7	A304 R305 R312	A304-R308 VanDerWaalsContact O-CG 3.31Å; A304-R308 WeakPolarHBondContact O-CG 3.3Å; A304-R308 PolarHBondContact O-N 3.29Å; R305-R308 PolarHBondContact O-N 2.77Å; R308-R312 PolarHBondContact O-N 2.55Å
309	Y	86.5	Confident	83.6	Confident	131 Å²	131	79.7 Å²	79.7	51%	0.514	39%	0.386	S	S	.	.	H	α-helix	trans	-67	-42.1	177.6	-82.5	-74.6	0	0	0	112.4	R305 Q306 K307	R305-Y309 HydrophobicContact CG-CD2 3.84Å; R305-Y309 HydrophobicContact CG-CE2 3.66Å; R305-Y309 VanDerWaalsContact O-CD2 3.24Å; R305-Y309 WeakPolarHBondContact O-CD2 3.45Å; R305-Y309 PolarHBondContact O-N 3.32Å; Q306-Y309 PolarHBondContact O-N 3.36Å; K307-Y309 PolarHBondContact O-N 3.32Å
310	Y	81.6	Confident	84.2	Confident	66 Å²	66	86 Å²	86	26%	0.259	41%	0.412	S	S	.	.	H	α-helix	trans	-65	-47.6	177.5	-175.8	-79.9	0	0	0	111.2	A98 L100 Q306 K307 R312 G313	A98-Y310 VanDerWaalsContact O-CE1 3.29Å; A98-Y310 WeakPolarHBondContact O-CE1 3.39Å; L100-Y310 HydrophobicContact CB-CD1 3.64Å; L100-Y310 HydrophobicContact CB-CE1 4.17Å; L100-Y310 HydrophobicContact CB-CG 3.91Å; L100-Y310 HydrophobicContact CD1-CD2 4.45Å; L100-Y310 HydrophobicContact CD2-CG 4.35Å; L100-Y310 HydrophobicContact CG-CG 4.49Å; Q306-Y310 WeakPolarHBondContact O-CB 3.42Å; Q306-Y310 PolarHBondContact O-N 3.45Å; K307-Y310 PolarHBondContact O-N 2.89Å; Y310-R312 VanDerWaalsContact C-N 3.25Å; Y310-R312 PolarHBondContact O-N 3.27Å; Y310-G313 PolarHBondContact O-N 2.82Å
311	D	86.4	Confident	84.8	Confident	37 Å²	37	87.5 Å²	87.5	20%	0.198	42%	0.415	C	S	.	.	H	α-helix	trans	-69	-21.4	-174.2	-69.1	-11.2	0	0	0	112.6	L99 L100 K307 G313 A314	L99-D311 WeakPolarHBondContact CA-OD1 3.38Å; L99-D311 HydrophobicContact CD2-CB 3.96Å; L100-D311 PolarHBondContact N-OD1 2.9Å; K307-D311 WeakPolarHBondContact CE-OD2 3.39Å; K307-D311 WeakPolarHBondContact CG-OD2 3.29Å; K307-D311 IonicContact NZ-OD1 3.32Å; K307-D311 IonicContact NZ-OD2 2.81Å; K307-D311 PolarHBondContact NZ-OD2 3.24Å; K307-D311 VanDerWaalsContact O-CB 3.23Å; K307-D311 WeakPolarHBondContact O-CB 3.43Å; K307-D311 PolarHBondContact O-N 3.48Å; D311-G313 PolarHBondContact O-N 3.29Å; D311-A314 WeakPolarHBondContact O-CB 3.46Å; D311-A314 PolarHBondContact O-N 3.22Å
312	R	86.6	Confident	85.2	Confident	195 Å²	195	82.7 Å²	82.7	74%	0.736	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-32.3	173.9	-171.7	-177.4	-62.9	174.5	-1.5	113.2	R308 Y310	R308-R312 PolarHBondContact O-N 2.55Å; Y310-R312 VanDerWaalsContact C-N 3.25Å; Y310-R312 PolarHBondContact O-N 3.27Å
313	G	81	Confident	85.7	Confident	48 Å²	48	82.9 Å²	82.9	50%	0.495	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	11.2	176.3	0	0	0	0	0	113.5	Y310 D311	Y310-G313 PolarHBondContact O-N 2.82Å; D311-G313 PolarHBondContact O-N 3.29Å
314	A	82.3	Confident	86.4	Confident	22 Å²	22	83.9 Å²	83.9	18%	0.182	41%	0.413	C	S	.	.			trans	-80.8	144.1	179.7	0	0	0	0	0	111	R97 L99 D311	R97-A314 HydrophobicContact CB-CB 4.41Å; R97-A314 WeakPolarHBondContact O-CB 3.32Å; L99-A314 HydrophobicContact CD2-CB 4.04Å; D311-A314 WeakPolarHBondContact O-CB 3.46Å; D311-A314 PolarHBondContact O-N 3.22Å
315	N	82.2	Confident	86.7	Confident	87 Å²	87	81.9 Å²	81.9	47%	0.465	40%	0.397	S	S	.	.			trans	-133.1	77.5	170	-176	6.3	0	0	0	107	G96 R97 Q317	G96-N315 CarbonylContact C-O 3.55Å; G96-N315 WeakPolarHBondContact CA-O 3.29Å; R97-N315 PolarHBondContact N-O 3.1Å; R97-N315 CarbonylContact O-C 3.34Å; R97-N315 PolarHBondContact O-N 3.15Å; N315-Q317 PolarHBondContact O-N 3.2Å
316	P	80.5	Confident	87	Confident	58 Å²	58	75.8 Å²	75.8	38%	0.377	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-68.1	125.2	-171	27.1	-33.5	0	0	0	110.2	L99	L99-P316 HydrophobicContact CD2-CG 4.35Å; L99-P316 HydrophobicContact CG-CB 4.25Å; L99-P316 HydrophobicContact CG-CG 4.22Å
317	Q	81.1	Confident	87.3	Confident	58 Å²	58	72.7 Å²	72.7	27%	0.271	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-87.3	124.1	167.4	-67.5	-176.5	12.4	0	0	108.4	N315 F319	N315-Q317 PolarHBondContact O-N 3.2Å; Q317-F319 HydrophobicContact CB-CD2 4.5Å; Q317-F319 HydrophobicContact CB-CE1 4.27Å; Q317-F319 HydrophobicContact CB-CE2 3.7Å; Q317-F319 HydrophobicContact CB-CZ 3.57Å; Q317-F319 HydrophobicContact CG-CZ 4.48Å; Q317-F319 VanDerWaalsContact OE1-CZ 3.28Å
318	Q	82	Confident	87.5	Confident	176 Å²	176	71.9 Å²	71.9	82%	0.822	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-87.3	133.5	172.1	-63.8	-177.2	12.2	0	0	108.7
319	F	89.5	Confident	87.3	Confident	11 Å²	11	65.7 Å²	65.7	5%	0.048	34%	0.337	C	S	.	.			trans	-128.4	142.4	175.2	-52.7	-80.8	0	0	0	109.5	Q317 V325 I350 Y359 A375 L378	Q317-F319 HydrophobicContact CB-CD2 4.5Å; Q317-F319 HydrophobicContact CB-CE1 4.27Å; Q317-F319 HydrophobicContact CB-CE2 3.7Å; Q317-F319 HydrophobicContact CB-CZ 3.57Å; Q317-F319 HydrophobicContact CG-CZ 4.48Å; Q317-F319 VanDerWaalsContact OE1-CZ 3.28Å; F319-V325 HydrophobicContact CD1-CG1 3.63Å; F319-V325 HydrophobicContact CE1-CG1 3.8Å; F319-V325 HydrophobicContact CG-CG1 4.43Å; F319-I350 HydrophobicContact CB-CD1 3.24Å; F319-I350 HydrophobicContact CD1-CD1 4.35Å; F319-I350 HydrophobicContact CG-CD1 3.92Å; F319-Y359 HydrophobicContact CB-CE1 4.26Å; F319-Y359 HydrophobicContact CD2-CE2 4.03Å; F319-A375 HydrophobicContact CE2-CB 4.3Å; F319-L378 HydrophobicContact CD2-CD1 4.26Å; F319-L378 HydrophobicContact CE1-CB 4.24Å; F319-L378 HydrophobicContact CE2-CB 3.71Å; F319-L378 HydrophobicContact CE2-CD1 4.21Å; F319-L378 HydrophobicContact CZ-CB 3.54Å
320	K	92.2	Very high	86.6	Confident	154 Å²	154	61.7 Å²	61.7	67%	0.67	33%	0.327	S	S	*	.			trans	-105.2	156.2	177.3	-62.5	-179.8	-178.9	-179.3	0	110.4	G322 D323	K320-G322 PolarHBondContact O-N 3.19Å; K320-D323 PolarHBondContact N-OD2 3.03Å; K320-D323 WeakPolarHBondContact O-CB 3.34Å; K320-D323 PolarHBondContact O-N 2.79Å; K320-D323 VanDerWaalsContact O-N 3.13Å
321	V	94.5	Very high	86.2	Confident	90 Å²	90	67.4 Å²	67.4	55%	0.545	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	131	171.8	176.2	0	0	0	0	108.5	I350 I351	V321-I350 HydrophobicContact CG2-CG2 4.41Å; V321-I351 VanDerWaalsContact CG1-O 3.25Å; V321-I351 WeakPolarHBondContact CG1-O 3.24Å
322	G	92.3	Very high	85.5	Confident	45 Å²	45	68.3 Å²	68.3	46%	0.464	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.3	-17.6	-173.2	0	0	0	0	0	114.9	K320 I350	K320-G322 PolarHBondContact O-N 3.19Å; G322-I350 PolarHBondContact N-O 3.27Å
323	D	93.7	Very high	84.8	Confident	60 Å²	60	64.4 Å²	64.4	32%	0.321	35%	0.348	S	S	.	.			trans	-65.8	144.3	-179.4	-69.8	-6.1	0	0	0	112	K320 I350	K320-D323 PolarHBondContact N-OD2 3.03Å; K320-D323 WeakPolarHBondContact O-CB 3.34Å; K320-D323 PolarHBondContact O-N 2.79Å; K320-D323 VanDerWaalsContact O-N 3.13Å; D323-I350 HydrophobicContact CB-CD1 4.34Å; D323-I350 PolarHBondContact O-N 2.82Å; D323-I350 VanDerWaalsContact O-N 3.1Å
324	L	93.7	Very high	84.4	Confident	36 Å²	36	70.5 Å²	70.5	19%	0.188	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.8	169.3	-64.8	-176.1	0	0	0	111.2	Y348 V349 C381	L324-Y348 CarbonylContact C-O 3.53Å; L324-Y348 WeakPolarHBondContact CA-O 3.42Å; L324-V349 HydrophobicContact CD2-CB 4.33Å; L324-C381 HydrophobicContact CB-CB 3.84Å; L324-C381 WeakPolarHBondContact O-CB 3.27Å; L324-C381 PolarHBondContact O-N 2.97Å
325	V	92.8	Very high	84.1	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	152.8	-179.3	-64	0	0	0	0	112.7	F319 Y348 I350 I361 L378 K379	F319-V325 HydrophobicContact CD1-CG1 3.63Å; F319-V325 HydrophobicContact CE1-CG1 3.8Å; F319-V325 HydrophobicContact CG-CG1 4.43Å; V325-Y348 PolarHBondContact N-O 3.42Å; V325-Y348 PolarHBondContact O-N 2.93Å; V325-I350 HydrophobicContact CG1-CD1 3.93Å; V325-I350 HydrophobicContact CG1-CG1 4.22Å; V325-I350 HydrophobicContact CG2-CG1 4.08Å; V325-I361 HydrophobicContact CG2-CG2 4.22Å; V325-L378 HydrophobicContact CB-CD2 4.32Å; V325-L378 HydrophobicContact CG2-CD2 3.86Å; V325-K379 CarbonylContact C-O 3.54Å; V325-K379 VanDerWaalsContact CA-O 3.27Å; V325-K379 WeakPolarHBondContact CA-O 3.35Å
326	F	92.2	Very high	83.9	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	141	165.3	-71.2	-77.1	0	0	0	110.9	W84 N87 T88 W344 L378 K379 C381 I385	W84-F326 HydrophobicContact CE3-CE1 4.22Å; W84-F326 HydrophobicContact CE3-CZ 4.39Å; W84-F326 AromaticContact CH2-CE1 3.98Å; W84-F326 HydrophobicContact CH2-CE1 3.98Å; W84-F326 AromaticContact CZ3-CE1 3.65Å; W84-F326 HydrophobicContact CZ3-CE1 3.65Å; W84-F326 HydrophobicContact CZ3-CZ 4.16Å; N87-F326 HydrophobicContact CB-CE2 3.71Å; N87-F326 HydrophobicContact CB-CZ 3.65Å; T88-F326 HydrophobicContact CG2-CE1 3.93Å; F326-W344 HydrophobicContact CB-CB 4.21Å; F326-W344 HydrophobicContact CB-CE3 3.92Å; F326-L378 CarbonylContact O-C 3.28Å; F326-L378 WeakPolarHBondContact O-CA 3.32Å; F326-K379 HydrophobicContact CB-CB 4.39Å; F326-K379 PolarHBondContact N-O 2.89Å; F326-K379 PolarHBondContact O-N 2.94Å; F326-C381 HydrophobicContact CD2-CB 3.66Å; F326-C381 HydrophobicContact CE2-CB 3.66Å; F326-C381 VanDerWaalsContact CE2-SG 3.51Å; F326-C381 HydrophobicContact CG-CB 4.45Å; F326-C381 HydrophobicContact CZ-CB 4.45Å; F326-I385 HydrophobicContact CE1-CD1 4.15Å; F326-I385 HydrophobicContact CE2-CD1 3.89Å; F326-I385 HydrophobicContact CZ-CD1 3.23Å
327	L	90.7	Very high	83.9	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.8	174.6	178	62.8	0	0	0	111	L329 V345 Y348 I361 V373 R377 L378	L327-L329 HydrophobicContact CD2-CD2 4.04Å; L327-L329 HydrophobicContact CG-CD2 4.28Å; L327-V345 PolarHBondContact N-O 2.84Å; L327-V345 PolarHBondContact O-N 3.15Å; L327-Y348 HydrophobicContact CB-CD2 3.9Å; L327-Y348 HydrophobicContact CB-CE2 3.66Å; L327-Y348 HydrophobicContact CD2-CE2 4.18Å; L327-I361 HydrophobicContact CB-CD1 4.26Å; L327-I361 HydrophobicContact CD1-CD1 4.06Å; L327-I361 HydrophobicContact CD2-CD1 4.11Å; L327-I361 HydrophobicContact CG-CD1 4.36Å; L327-V373 HydrophobicContact CD1-CB 4.26Å; L327-V373 HydrophobicContact CD1-CG1 3.84Å; L327-V373 HydrophobicContact CD1-CG2 4.29Å; L327-R377 CarbonylContact C-O 3.59Å; L327-R377 WeakPolarHBondContact CA-O 3.21Å; L327-R377 HydrophobicContact CD1-CB 4.14Å; L327-L378 HydrophobicContact CD1-CD2 4.38Å
328	F	88.4	Confident	83.9	Confident	41 Å²	41	84.5 Å²	84.5	18%	0.18	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	123.4	171.1	-173.1	-102.4	0	0	0	111.3	X92 P330 P343 W344 R377	A92-F328 HydrophobicContact CB-CE2 4.41Å; F328-P330 HydrophobicContact CE1-CB 3.97Å; F328-P343 HydrophobicContact CD2-CB 3.89Å; F328-P343 HydrophobicContact CE2-CB 3.53Å; F328-P343 HydrophobicContact CE2-CG 4.24Å; F328-P343 HydrophobicContact CZ-CB 4.39Å; F328-W344 HydrophobicContact CB-CD2 4.46Å; F328-W344 HydrophobicContact CB-CE3 3.89Å; F328-W344 HydrophobicContact CB-CH2 4Å; F328-W344 HydrophobicContact CB-CZ3 3.65Å; F328-W344 HydrophobicContact CD2-CD2 4.18Å; F328-W344 AromaticContact CD2-CE2 3.96Å; F328-W344 HydrophobicContact CD2-CE3 4.44Å; F328-W344 HydrophobicContact CD2-CH2 4.3Å; F328-W344 HydrophobicContact CD2-CZ2 4.02Å; F328-R377 HydrophobicContact CB-CB 4.46Å; F328-R377 PolarHBondContact N-O 3.16Å; F328-R377 PolarHBondContact O-NE 2.97Å; F328-R377 PolarHBondContact O-NH2 2.99Å
329	L	83	Confident	84	Confident	65 Å²	65	83.9 Å²	83.9	34%	0.34	43%	0.429	S	S	.	.			trans	-108.9	112.5	171	-64.7	-177.1	0	0	0	110.2	L327 R341 P343 V345	L327-L329 HydrophobicContact CD2-CD2 4.04Å; L327-L329 HydrophobicContact CG-CD2 4.28Å; L329-R341 PolarHBondContact O-NH2 3.16Å; L329-P343 PolarHBondContact N-O 2.9Å; L329-V345 HydrophobicContact CD1-CB 4.16Å; L329-V345 HydrophobicContact CD1-CG2 3.59Å; L329-V345 HydrophobicContact CG-CG2 4.12Å
330	P	72.7	Confident	83.7	Confident	46 Å²	46	91.6 Å²	91.6	30%	0.299	46%	0.463	S	S	.	.			trans	-75.1	-29.9	180	26.7	-32.1	0	0	0	113.3	Y198 F328 R341	Y198-P330 HydrophobicContact CD1-CG 4.1Å; Y198-P330 HydrophobicContact CE1-CG 4.24Å; Y198-P330 HydrophobicContact CG-CG 4.24Å; F328-P330 HydrophobicContact CE1-CB 3.97Å; P330-R341 PolarHBondContact O-NH1 3.13Å; P330-R341 PolarHBondContact O-NH2 3.4Å
331	R	72.5	Confident	83.3	Confident	187 Å²	187	86.8 Å²	86.8	71%	0.706	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-71.5	142.6	-175.8	-68.7	-168.7	-178.8	-173.9	2.9	112.1	Y198	Y198-R331 PolarHBondContact OH-NE 3.03Å; Y198-R331 PolarHBondContact OH-NH2 3.43Å; Y198-R331 VanDerWaalsContact OH-NH2 3.17Å
332	V	71.1	Confident	82.9	Confident	56 Å²	56	86.3 Å²	86.3	34%	0.339	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-98.8	130.1	166.8	-171.3	0	0	0	0	106.7	R336 K338	V332-R336 HydrophobicContact CG1-CB 4.12Å; V332-R336 WeakPolarHBondContact CG1-O 3.49Å; V332-K338 HydrophobicContact CG2-CB 4.48Å; V332-K338 HydrophobicContact CG2-CG 4.37Å
333	L	72.7	Confident	82.6	Confident	113 Å²	113	85 Å²	85	59%	0.592	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-64.4	139.3	172.6	-67.1	168.3	0	0	0	109.1	G335 R336	L333-G335 PolarHBondContact O-N 2.92Å; L333-R336 HydrophobicContact CB-CG 4.37Å; L333-R336 WeakPolarHBondContact O-CB 3.45Å; L333-R336 PolarHBondContact O-N 2.92Å
334	Q	72.2	Confident	82.4	Confident	175 Å²	175	82.7 Å²	82.7	82%	0.818	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	138.8	175.1	-76.7	174.2	-23.4	0	0	110.4	R336	Q334-R336 VanDerWaalsContact C-N 3.3Å; Q334-R336 PolarHBondContact O-N 3.36Å
335	G	76.4	Confident	82.2	Confident	92 Å²	92	82.7 Å²	82.7	95%	0.948	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-2.2	-175.9	0	0	0	0	0	115.9	L333	L333-G335 PolarHBondContact O-N 2.92Å
336	R	78.6	Confident	81.9	Confident	178 Å²	178	83 Å²	83	67%	0.672	41%	0.406	S	S	*	.			trans	-101.7	138.4	174	-64.9	-165.6	178.4	177	1.1	112.2	V332 L333 Q334	V332-R336 HydrophobicContact CG1-CB 4.12Å; V332-R336 WeakPolarHBondContact CG1-O 3.49Å; L333-R336 HydrophobicContact CB-CG 4.37Å; L333-R336 WeakPolarHBondContact O-CB 3.45Å; L333-R336 PolarHBondContact O-N 2.92Å; Q334-R336 VanDerWaalsContact C-N 3.3Å; Q334-R336 PolarHBondContact O-N 3.36Å
337	N	79	Confident	82	Confident	89 Å²	89	83.3 Å²	83.3	48%	0.476	41%	0.408	S	S	.	.			trans	-75.7	131.8	176.7	-169	-38.4	0	0	0	111.3	K339 F340	N337-K339 PolarHBondContact O-N 2.85Å; N337-K339 WeakPolarHBondContact OD1-CB 3.47Å; N337-K339 PolarHBondContact OD1-N 2.72Å; N337-F340 HydrophobicContact CB-CD2 3.95Å; N337-F340 HydrophobicContact CB-CE2 4.46Å; N337-F340 PolarHBondContact O-N 3.13Å
338	K	81.6	Confident	82.1	Confident	160 Å²	160	83.5 Å²	83.5	70%	0.696	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-57	-32.3	176.5	-170.1	179.6	178.3	-176.8	0	112.8	V332 R341	V332-K338 HydrophobicContact CG2-CB 4.48Å; V332-K338 HydrophobicContact CG2-CG 4.37Å; K338-R341 WeakPolarHBondContact O-CB 3.46Å; K338-R341 PolarHBondContact O-N 2.88Å
339	K	83.8	Confident	82.4	Confident	164 Å²	164	83.4 Å²	83.4	71%	0.713	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-67.5	-34.6	-176.7	-66.8	-173.9	178.2	-177.7	0	113.7	R89 N337	R89-K339 PolarHBondContact NH2-O 3.43Å; N337-K339 PolarHBondContact O-N 2.85Å; N337-K339 WeakPolarHBondContact OD1-CB 3.47Å; N337-K339 PolarHBondContact OD1-N 2.72Å
340	F	83.9	Confident	83	Confident	172 Å²	172	80.4 Å²	80.4	75%	0.754	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-93.1	7.2	179.8	-56.1	-60.4	0	0	0	113.4	N337	N337-F340 HydrophobicContact CB-CD2 3.95Å; N337-F340 HydrophobicContact CB-CE2 4.46Å; N337-F340 PolarHBondContact O-N 3.13Å
341	R	82.9	Confident	84	Confident	53 Å²	53	81.2 Å²	81.2	20%	0.2	40%	0.397	C	S	.	.			trans	-72.5	138.2	-176.4	-171	-178.6	109	-169	8.6	111.9	R89 L329 P330 K338 P343	R89-R341 WeakPolarHBondContact CD-O 3.45Å; L329-R341 PolarHBondContact O-NH2 3.16Å; P330-R341 PolarHBondContact O-NH1 3.13Å; P330-R341 PolarHBondContact O-NH2 3.4Å; K338-R341 WeakPolarHBondContact O-CB 3.46Å; K338-R341 PolarHBondContact O-N 2.88Å; R341-P343 WeakPolarHBondContact O-CD 3.46Å
342	K	86.6	Confident	85	Confident	81 Å²	81	73.8 Å²	73.8	35%	0.352	37%	0.373	S	S	.	.			trans	-100.4	103.5	163.3	-67.4	170.4	179.6	179.6	0	108.7	E85 T88 R89 W344	E85-K342 IonicContact OE1-NZ 3.31Å; E85-K342 PolarHBondContact OE1-NZ 3.31Å; E85-K342 WeakPolarHBondContact OE2-CE 3.27Å; E85-K342 IonicContact OE2-NZ 2.77Å; E85-K342 PolarHBondContact OE2-NZ 3.26Å; T88-K342 CarbonylContact O-C 3.43Å; T88-K342 WeakPolarHBondContact O-CA 3.36Å; R89-K342 HydrophobicContact CB-CG 4.48Å; K342-W344 VanDerWaalsContact C-N 3.31Å; K342-W344 PolarHBondContact O-N 3.32Å
343	P	86.3	Confident	85.9	Confident	16 Å²	16	75.8 Å²	75.8	10%	0.104	38%	0.379	C	S	.	.			trans	-72.3	-22.3	-172.9	27.3	-35.1	0	0	0	114.2	T88 F328 L329 R341	T88-P343 WeakPolarHBondContact O-CD 3.36Å; F328-P343 HydrophobicContact CD2-CB 3.89Å; F328-P343 HydrophobicContact CE2-CB 3.53Å; F328-P343 HydrophobicContact CE2-CG 4.24Å; F328-P343 HydrophobicContact CZ-CB 4.39Å; L329-P343 PolarHBondContact N-O 2.9Å; R341-P343 WeakPolarHBondContact O-CD 3.46Å
344	W	90.3	Very high	86.5	Confident	13 Å²	13	74.7 Å²	74.7	5%	0.049	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.8	-178.6	-61.2	102	0	0	0	110.5	T88 G90 X92 F326 F328 K342 K379	T88-W344 WeakPolarHBondContact CG2-O 3.47Å; T88-W344 PolarHBondContact O-N 2.98Å; G90-W344 PolarHBondContact O-NE1 3.49Å; A92-W344 HydrophobicContact CB-CZ2 3.99Å; F326-W344 HydrophobicContact CB-CB 4.21Å; F326-W344 HydrophobicContact CB-CE3 3.92Å; F328-W344 HydrophobicContact CB-CD2 4.46Å; F328-W344 HydrophobicContact CB-CE3 3.89Å; F328-W344 HydrophobicContact CB-CH2 4Å; F328-W344 HydrophobicContact CB-CZ3 3.65Å; F328-W344 HydrophobicContact CD2-CD2 4.18Å; F328-W344 AromaticContact CD2-CE2 3.96Å; F328-W344 HydrophobicContact CD2-CE3 4.44Å; F328-W344 HydrophobicContact CD2-CH2 4.3Å; F328-W344 HydrophobicContact CD2-CZ2 4.02Å; K342-W344 VanDerWaalsContact C-N 3.31Å; K342-W344 PolarHBondContact O-N 3.32Å; W344-K379 HydrophobicContact CD2-CB 4.49Å; W344-K379 HydrophobicContact CD2-CD 4.4Å; W344-K379 HydrophobicContact CE3-CB 3.89Å; W344-K379 HydrophobicContact CH2-CB 3.7Å; W344-K379 HydrophobicContact CZ2-CB 4.31Å; W344-K379 HydrophobicContact CZ2-CD 4.38Å; W344-K379 HydrophobicContact CZ3-CB 3.45Å; W344-K379 VanDerWaalsContact CZ3-CB 3.45Å
345	V	88.8	Confident	87	Confident	35 Å²	35	68.1 Å²	68.1	21%	0.212	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	145.1	-179.3	-179.2	0	0	0	0	109.1	L327 L329 Y348	L327-V345 PolarHBondContact N-O 2.84Å; L327-V345 PolarHBondContact O-N 3.15Å; L329-V345 HydrophobicContact CD1-CB 4.16Å; L329-V345 HydrophobicContact CD1-CG2 3.59Å; L329-V345 HydrophobicContact CG-CG2 4.12Å; V345-Y348 HydrophobicContact CG1-CE2 4.44Å; V345-Y348 WeakPolarHBondContact O-CE2 3.41Å
346	G	86.8	Confident	87.3	Confident	7 Å²	7	67.7 Å²	67.7	7%	0.072	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.9	-154.6	-179.1	0	0	0	0	0	113	W84	W84-G346 VanDerWaalsContact CH2-O 3.31Å; W84-G346 WeakPolarHBondContact CH2-O 3.21Å
347	P	92.8	Very high	87.7	Confident	6 Å²	6	59.8 Å²	59.8	4%	0.039	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-71.5	148.5	-15.9	29.3	-29.7	0	0	0	111.1	C364 F387	P347-C364 HydrophobicContact CG-CB 4.11Å; P347-C364 WeakPolarHBondContact O-CB 3.32Å; P347-C364 PolarHBondContact O-N 3.12Å; P347-C364 PolarHBondContact O-SG 3.39Å; P347-F387 HydrophobicContact CG-CE1 3.96Å; P347-F387 HydrophobicContact CG-CZ 3.78Å
348	Y	94.3	Very high	88.1	Confident	5 Å²	5	56.5 Å²	56.5	2%	0.02	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	152.7	168.8	-68.2	-103.3	0	0	0	109.1	L324 V325 L327 V345 I361 Q362 R363 D369	L324-Y348 CarbonylContact C-O 3.53Å; L324-Y348 WeakPolarHBondContact CA-O 3.42Å; V325-Y348 PolarHBondContact N-O 3.42Å; V325-Y348 PolarHBondContact O-N 2.93Å; L327-Y348 HydrophobicContact CB-CD2 3.9Å; L327-Y348 HydrophobicContact CB-CE2 3.66Å; L327-Y348 HydrophobicContact CD2-CE2 4.18Å; V345-Y348 HydrophobicContact CG1-CE2 4.44Å; V345-Y348 WeakPolarHBondContact O-CE2 3.41Å; Y348-I361 HydrophobicContact CD1-CB 4.29Å; Y348-I361 HydrophobicContact CD1-CD1 3.7Å; Y348-I361 HydrophobicContact CD1-CG1 4Å; Y348-I361 HydrophobicContact CD2-CD1 4.46Å; Y348-I361 HydrophobicContact CE1-CD1 4.21Å; Y348-I361 HydrophobicContact CG-CD1 3.88Å; Y348-I361 HydrophobicContact CG-CG1 4.48Å; Y348-Q362 CarbonylContact C-O 3.27Å; Y348-Q362 WeakPolarHBondContact CA-O 3.34Å; Y348-Q362 WeakPolarHBondContact CB-O 3.26Å; Y348-Q362 VanDerWaalsContact CD1-C 3.41Å; Y348-R363 VanDerWaalsContact CD1-CA 3.44Å; Y348-R363 HydrophobicContact CD1-CB 3.79Å; Y348-R363 HydrophobicContact CD1-CG 4.31Å; Y348-R363 VanDerWaalsContact CD1-N 3.28Å; Y348-R363 HydrophobicContact CE1-CB 3.47Å; Y348-R363 VanDerWaalsContact CE1-CB 3.47Å; Y348-R363 HydrophobicContact CE1-CG 3.89Å; Y348-R363 HydrophobicContact CE2-CG 4.36Å; Y348-D369 PolarHBondContact OH-OD2 3.08Å
349	V	94.5	Very high	88.5	Confident	39 Å²	39	49.2 Å²	49.2	24%	0.236	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	142	169.5	63.6	0	0	0	0	109.5	L324 I351 I361 Q362	L324-V349 HydrophobicContact CD2-CB 4.33Å; V349-I351 PolarHBondContact O-N 2.93Å; V349-I361 CarbonylContact O-C 3.59Å; V349-I361 VanDerWaalsContact O-CA 3.29Å; V349-I361 WeakPolarHBondContact O-CA 3.16Å; V349-Q362 HydrophobicContact CG1-CB 4.15Å; V349-Q362 PolarHBondContact N-O 3.47Å; V349-Q362 PolarHBondContact O-N 3.21Å
350	I	95.1	Very high	88.9	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	116.7	171.4	-62.6	-179.8	0	0	0	109.1	F319 V321 G322 D323 V325 Y359 I361	F319-I350 HydrophobicContact CB-CD1 3.24Å; F319-I350 HydrophobicContact CD1-CD1 4.35Å; F319-I350 HydrophobicContact CG-CD1 3.92Å; V321-I350 HydrophobicContact CG2-CG2 4.41Å; G322-I350 PolarHBondContact N-O 3.27Å; D323-I350 HydrophobicContact CB-CD1 4.34Å; D323-I350 PolarHBondContact O-N 2.82Å; D323-I350 VanDerWaalsContact O-N 3.1Å; V325-I350 HydrophobicContact CG1-CD1 3.93Å; V325-I350 HydrophobicContact CG1-CG1 4.22Å; V325-I350 HydrophobicContact CG2-CG1 4.08Å; I350-Y359 HydrophobicContact CD1-CD1 4.25Å; I350-Y359 HydrophobicContact CG2-CD1 3.84Å; I350-I361 HydrophobicContact CG1-CG2 4.17Å
351	I	93.9	Very high	89.4	Confident	64 Å²	64	38.1 Å²	38.1	33%	0.328	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-46	178.2	-59.1	165.3	0	0	0	110.9	V321 V349 R360 Q362 V370	V321-I351 VanDerWaalsContact CG1-O 3.25Å; V321-I351 WeakPolarHBondContact CG1-O 3.24Å; V349-I351 PolarHBondContact O-N 2.93Å; I351-R360 HydrophobicContact CB-CG 4.45Å; I351-R360 HydrophobicContact CD1-CG 4.11Å; I351-R360 PolarHBondContact N-O 3.4Å; I351-Q362 HydrophobicContact CD1-CB 3.39Å; I351-Q362 HydrophobicContact CD1-CG 4.39Å; I351-Q362 HydrophobicContact CG1-CB 3.84Å; I351-V370 HydrophobicContact CD1-CG1 4.07Å; I351-V370 HydrophobicContact CD1-CG2 4.46Å
352	S	92.7	Very high	89.9	Confident	30 Å²	30	38 Å²	38	21%	0.21	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	145.7	-175.3	67.5	0	0	0	0	111.4	R360	S352-R360 PolarHBondContact N-O 3.4Å; S352-R360 PolarHBondContact O-N 2.84Å; S352-R360 WeakPolarHBondContact OG-CB 3.38Å
353	Q	90.7	Very high	90.2	Very high	98 Å²	98	37.8 Å²	37.8	46%	0.458	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	119.9	170	-173.5	172.9	18.9	0	0	109.1	S355 Y359	Q353-S355 WeakPolarHBondContact CG-O 3.46Å; Q353-S355 PolarHBondContact NE2-O 3.03Å; Q353-Y359 HydrophobicContact CB-CD1 4Å; Q353-Y359 HydrophobicContact CB-CE1 3.94Å; Q353-Y359 HydrophobicContact CG-CD1 3.98Å; Q353-Y359 HydrophobicContact CG-CE1 3.58Å; Q353-Y359 PolarHBondContact NE2-OH 3.35Å
354	L	84.7	Confident	90.4	Very high	90 Å²	90	40 Å²	40	47%	0.471	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-27.4	179.6	-61.1	178.1	0	0	0	112	T358 V372	L354-T358 HydrophobicContact CB-CG2 4.4Å; L354-T358 HydrophobicContact CD1-CG2 4.47Å; L354-T358 PolarHBondContact N-O 2.79Å; L354-V372 HydrophobicContact CD1-CB 4.42Å; L354-V372 HydrophobicContact CD1-CG1 3.63Å; L354-V372 HydrophobicContact CD1-CG2 3.85Å
355	S	82.7	Confident	90.2	Very high	38 Å²	38	43.5 Å²	43.5	27%	0.266	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	171	173	81.4	0	0	0	0	109	Q353 V357 T358	Q353-S355 WeakPolarHBondContact CG-O 3.46Å; Q353-S355 PolarHBondContact NE2-O 3.03Å; S355-V357 PolarHBondContact O-N 3.19Å; S355-V357 PolarHBondContact OG-N 3.45Å; S355-T358 PolarHBondContact N-O 3.44Å; S355-T358 PolarHBondContact O-N 2.83Å; S355-T358 WeakPolarHBondContact OG-CB 3.37Å; S355-T358 PolarHBondContact OG-N 3.11Å; S355-T358 PolarHBondContact OG-OG1 3.48Å; S355-T358 VanDerWaalsContact OG-OG1 3.12Å
356	P	84.1	Confident	90	Very high	82 Å²	82	47.8 Å²	47.8	53%	0.532	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-23.2	177	-28.9	36.6	0	0	0	114.4	Y359	P356-Y359 PolarHBondContact O-OH 2.89Å
357	V	85.8	Confident	89.8	Confident	12 Å²	12	57.2 Å²	57.2	7%	0.073	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	0.7	-175.2	-56.3	0	0	0	0	113.9	A98 Q101 S355 H374 A375	A98-V357 HydrophobicContact CB-CB 3.92Å; A98-V357 HydrophobicContact CB-CG1 3.53Å; Q101-V357 HydrophobicContact CG-CG1 4.04Å; Q101-V357 HydrophobicContact CG-CG2 3.82Å; S355-V357 PolarHBondContact O-N 3.19Å; S355-V357 PolarHBondContact OG-N 3.45Å; V357-H374 WeakPolarHBondContact CB-NE2 3.47Å; V357-H374 VanDerWaalsContact CG2-NE2 3.31Å; V357-H374 WeakPolarHBondContact CG2-NE2 3.44Å; V357-H374 CarbonylContact O-C 3.55Å; V357-H374 WeakPolarHBondContact O-CA 3.29Å; V357-H374 PolarHBondContact O-CD2 3.14Å; V357-A375 WeakPolarHBondContact O-CB 3.46Å; V357-A375 PolarHBondContact O-N 3.36Å
358	T	87.3	Confident	89.5	Confident	21 Å²	21	66.9 Å²	66.9	13%	0.129	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.1	-176.3	-57.5	0	0	0	0	111.1	T196 L354 S355 V372	T196-T358 HydrophobicContact CG2-CG2 3.59Å; L354-T358 HydrophobicContact CB-CG2 4.4Å; L354-T358 HydrophobicContact CD1-CG2 4.47Å; L354-T358 PolarHBondContact N-O 2.79Å; S355-T358 PolarHBondContact N-O 3.44Å; S355-T358 PolarHBondContact O-N 2.83Å; S355-T358 WeakPolarHBondContact OG-CB 3.37Å; S355-T358 PolarHBondContact OG-N 3.11Å; S355-T358 PolarHBondContact OG-OG1 3.48Å; S355-T358 VanDerWaalsContact OG-OG1 3.12Å; T358-V372 HydrophobicContact CG2-CG1 3.43Å; T358-V372 VanDerWaalsContact CG2-CG1 3.43Å
359	Y	90.9	Very high	89.1	Confident	7 Å²	7	68.1 Å²	68.1	3%	0.027	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.1	-174.1	-60.2	-89.8	0	0	0	110.8	F319 I350 Q353 P356 V372 V373 A375 L378	F319-Y359 HydrophobicContact CB-CE1 4.26Å; F319-Y359 HydrophobicContact CD2-CE2 4.03Å; I350-Y359 HydrophobicContact CD1-CD1 4.25Å; I350-Y359 HydrophobicContact CG2-CD1 3.84Å; Q353-Y359 HydrophobicContact CB-CD1 4Å; Q353-Y359 HydrophobicContact CB-CE1 3.94Å; Q353-Y359 HydrophobicContact CG-CD1 3.98Å; Q353-Y359 HydrophobicContact CG-CE1 3.58Å; Q353-Y359 PolarHBondContact NE2-OH 3.35Å; P356-Y359 PolarHBondContact O-OH 2.89Å; Y359-V372 WeakPolarHBondContact O-CA 3.3Å; Y359-V373 PolarHBondContact N-O 2.83Å; Y359-V373 PolarHBondContact O-N 3.23Å; Y359-A375 HydrophobicContact CD2-CB 4.4Å; Y359-A375 HydrophobicContact CE2-CB 3.95Å; Y359-L378 HydrophobicContact CD2-CD1 3.98Å; Y359-L378 HydrophobicContact CG-CD1 4.32Å
360	R	92.5	Very high	88.9	Confident	102 Å²	102	69.5 Å²	69.5	39%	0.385	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	121.7	166.1	-177.1	177.2	-76.8	157.7	-4.5	108.3	I351 S352 V370 Q371 V372	I351-R360 HydrophobicContact CB-CG 4.45Å; I351-R360 HydrophobicContact CD1-CG 4.11Å; I351-R360 PolarHBondContact N-O 3.4Å; S352-R360 PolarHBondContact N-O 3.4Å; S352-R360 PolarHBondContact O-N 2.84Å; S352-R360 WeakPolarHBondContact OG-CB 3.38Å; R360-V370 HydrophobicContact CG-CG1 3.79Å; R360-Q371 WeakPolarHBondContact CA-O 3.47Å; R360-V372 HydrophobicContact CB-CG2 4.37Å; R360-V372 HydrophobicContact CG-CG2 4.4Å
361	I	93.6	Very high	88.6	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	150.3	-177.4	62.9	167.3	0	0	0	111.1	V325 L327 Y348 V349 I350 V370 Q371 V373 L378	V325-I361 HydrophobicContact CG2-CG2 4.22Å; L327-I361 HydrophobicContact CB-CD1 4.26Å; L327-I361 HydrophobicContact CD1-CD1 4.06Å; L327-I361 HydrophobicContact CD2-CD1 4.11Å; L327-I361 HydrophobicContact CG-CD1 4.36Å; Y348-I361 HydrophobicContact CD1-CB 4.29Å; Y348-I361 HydrophobicContact CD1-CD1 3.7Å; Y348-I361 HydrophobicContact CD1-CG1 4Å; Y348-I361 HydrophobicContact CD2-CD1 4.46Å; Y348-I361 HydrophobicContact CE1-CD1 4.21Å; Y348-I361 HydrophobicContact CG-CD1 3.88Å; Y348-I361 HydrophobicContact CG-CG1 4.48Å; V349-I361 CarbonylContact O-C 3.59Å; V349-I361 VanDerWaalsContact O-CA 3.29Å; V349-I361 WeakPolarHBondContact O-CA 3.16Å; I350-I361 HydrophobicContact CG1-CG2 4.17Å; I361-V370 WeakPolarHBondContact O-CA 3.48Å; I361-Q371 HydrophobicContact CG1-CB 4.39Å; I361-Q371 WeakPolarHBondContact CG1-O 3.25Å; I361-Q371 PolarHBondContact N-O 3.04Å; I361-Q371 PolarHBondContact O-N 3Å; I361-V373 HydrophobicContact CD1-CG1 4.13Å; I361-V373 HydrophobicContact CD1-CG2 3.6Å; I361-V373 HydrophobicContact CG1-CG1 4.44Å; I361-V373 HydrophobicContact CG1-CG2 3.87Å; I361-V373 HydrophobicContact CG2-CG2 4.08Å; I361-L378 HydrophobicContact CD1-CD2 4.15Å; I361-L378 HydrophobicContact CG2-CD1 4.4Å; I361-L378 HydrophobicContact CG2-CD2 4.29Å
362	Q	93.9	Very high	88.3	Confident	50 Å²	50	72.1 Å²	72.1	23%	0.234	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	136	176.1	174.6	179.7	25.8	0	0	111.2	Y348 V349 I351 C364 R367 D369 V370	Y348-Q362 CarbonylContact C-O 3.27Å; Y348-Q362 WeakPolarHBondContact CA-O 3.34Å; Y348-Q362 WeakPolarHBondContact CB-O 3.26Å; Y348-Q362 VanDerWaalsContact CD1-C 3.41Å; V349-Q362 HydrophobicContact CG1-CB 4.15Å; V349-Q362 PolarHBondContact N-O 3.47Å; V349-Q362 PolarHBondContact O-N 3.21Å; I351-Q362 HydrophobicContact CD1-CB 3.39Å; I351-Q362 HydrophobicContact CD1-CG 4.39Å; I351-Q362 HydrophobicContact CG1-CB 3.84Å; Q362-C364 PolarHBondContact O-N 2.81Å; Q362-R367 PolarHBondContact NE2-O 3.31Å; Q362-D369 WeakPolarHBondContact CA-O 3.27Å; Q362-V370 HydrophobicContact CB-CG2 4.21Å; Q362-V370 HydrophobicContact CG-CG2 4.12Å
363	R	93.4	Very high	88	Confident	78 Å²	78	70.7 Å²	70.7	29%	0.294	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	127.1	-179.5	-161.9	172.7	176.6	-179.8	-2	110.9	Y348 S365 Y366 D369	Y348-R363 VanDerWaalsContact CD1-CA 3.44Å; Y348-R363 HydrophobicContact CD1-CB 3.79Å; Y348-R363 HydrophobicContact CD1-CG 4.31Å; Y348-R363 VanDerWaalsContact CD1-N 3.28Å; Y348-R363 HydrophobicContact CE1-CB 3.47Å; Y348-R363 VanDerWaalsContact CE1-CB 3.47Å; Y348-R363 HydrophobicContact CE1-CG 3.89Å; Y348-R363 HydrophobicContact CE2-CG 4.36Å; R363-S365 VanDerWaalsContact C-N 3.26Å; R363-S365 PolarHBondContact NE-OG 3.07Å; R363-S365 PolarHBondContact O-N 2.98Å; R363-Y366 CarbonylContact O-C 3.44Å; R363-Y366 PolarHBondContact O-N 2.91Å; R363-D369 HydrophobicContact CB-CB 3.9Å; R363-D369 WeakPolarHBondContact CD-OD2 3.27Å; R363-D369 PolarHBondContact N-O 3.46Å; R363-D369 IonicContact NH1-OD2 2.76Å
364	C	89	Confident	87.8	Confident	61 Å²	61	66.5 Å²	66.5	41%	0.412	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-36.4	-178.5	-60	0	0	0	0	112.2	P347 Q362	P347-C364 HydrophobicContact CG-CB 4.11Å; P347-C364 WeakPolarHBondContact O-CB 3.32Å; P347-C364 PolarHBondContact O-N 3.12Å; P347-C364 PolarHBondContact O-SG 3.39Å; Q362-C364 PolarHBondContact O-N 2.81Å
365	S	86.1	Confident	88	Confident	88 Å²	88	62.4 Å²	62.4	62%	0.615	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-19.7	-179.1	69	0	0	0	0	114.3	R363	R363-S365 VanDerWaalsContact C-N 3.26Å; R363-S365 PolarHBondContact NE-OG 3.07Å; R363-S365 PolarHBondContact O-N 2.98Å
366	Y	86.2	Confident	88.1	Confident	125 Å²	125	61.9 Å²	61.9	49%	0.49	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	94.2	-176.3	-174.6	-128.5	0	0	0	110.3	R363 R368 D369	R363-Y366 CarbonylContact O-C 3.44Å; R363-Y366 PolarHBondContact O-N 2.91Å; Y366-R368 HydrophobicContact CD1-CB 4.45Å; Y366-R368 HydrophobicContact CE1-CB 3.84Å; Y366-R368 HydrophobicContact CE2-CB 4.14Å; Y366-R368 HydrophobicContact CE2-CG 4.34Å; Y366-R368 PolarHBondContact O-N 3.24Å; Y366-R368 WeakPolarHBondContact OH-CD 3.29Å; Y366-D369 HydrophobicContact CD1-CB 3.75Å; Y366-D369 HydrophobicContact CE1-CB 4.47Å; Y366-D369 WeakPolarHBondContact O-CB 3.41Å; Y366-D369 PolarHBondContact O-N 3.08Å
367	R	82.7	Confident	88.2	Confident	204 Å²	204	58.9 Å²	58.9	77%	0.77	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.1	-21.8	-171.9	-71.4	-173	-179.3	159.6	-0.1	114.9	Q362 D369	Q362-R367 PolarHBondContact NE2-O 3.31Å; R367-D369 VanDerWaalsContact C-N 3.32Å
368	R	84.7	Confident	88.4	Confident	209 Å²	209	58.3 Å²	58.3	79%	0.789	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	-14.4	178.2	-63.5	-178.4	178.5	173.5	-0.1	113.4	Y366 V370	Y366-R368 HydrophobicContact CD1-CB 4.45Å; Y366-R368 HydrophobicContact CE1-CB 3.84Å; Y366-R368 HydrophobicContact CE2-CB 4.14Å; Y366-R368 HydrophobicContact CE2-CG 4.34Å; Y366-R368 PolarHBondContact O-N 3.24Å; Y366-R368 WeakPolarHBondContact OH-CD 3.29Å; R368-V370 PolarHBondContact O-N 3.41Å; R368-V370 VanDerWaalsContact O-N 3.12Å
369	D	87.1	Confident	88.5	Confident	31 Å²	31	60 Å²	60	17%	0.166	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	84.2	176.4	-172.5	7.6	0	0	0	109.5	Y348 Q362 R363 Y366 R367 Q371	Y348-D369 PolarHBondContact OH-OD2 3.08Å; Q362-D369 WeakPolarHBondContact CA-O 3.27Å; R363-D369 HydrophobicContact CB-CB 3.9Å; R363-D369 WeakPolarHBondContact CD-OD2 3.27Å; R363-D369 PolarHBondContact N-O 3.46Å; R363-D369 IonicContact NH1-OD2 2.76Å; Y366-D369 HydrophobicContact CD1-CB 3.75Å; Y366-D369 HydrophobicContact CE1-CB 4.47Å; Y366-D369 WeakPolarHBondContact O-CB 3.41Å; Y366-D369 PolarHBondContact O-N 3.08Å; R367-D369 VanDerWaalsContact C-N 3.32Å; D369-Q371 PolarHBondContact OD1-NE2 3.14Å
370	V	89.8	Confident	88.5	Confident	68 Å²	68	63.2 Å²	63.2	41%	0.412	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.8	176.3	-178.9	0	0	0	0	108.4	I351 R360 I361 Q362 R368	I351-V370 HydrophobicContact CD1-CG1 4.07Å; I351-V370 HydrophobicContact CD1-CG2 4.46Å; R360-V370 HydrophobicContact CG-CG1 3.79Å; I361-V370 WeakPolarHBondContact O-CA 3.48Å; Q362-V370 HydrophobicContact CB-CG2 4.21Å; Q362-V370 HydrophobicContact CG-CG2 4.12Å; R368-V370 PolarHBondContact O-N 3.41Å; R368-V370 VanDerWaalsContact O-N 3.12Å
371	Q	88	Confident	88.4	Confident	68 Å²	68	58.5 Å²	58.5	32%	0.318	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	150.3	-177.7	-58	-174.7	24.3	0	0	110.9	R360 I361 D369 V373	R360-Q371 WeakPolarHBondContact CA-O 3.47Å; I361-Q371 HydrophobicContact CG1-CB 4.39Å; I361-Q371 WeakPolarHBondContact CG1-O 3.25Å; I361-Q371 PolarHBondContact N-O 3.04Å; I361-Q371 PolarHBondContact O-N 3Å; D369-Q371 PolarHBondContact OD1-NE2 3.14Å; Q371-V373 HydrophobicContact CB-CG1 4.22Å
372	V	88.4	Confident	88.1	Confident	52 Å²	52	59.2 Å²	59.2	32%	0.315	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.3	170.5	178.5	0	0	0	0	108.2	T196 L354 T358 Y359 R360	T196-V372 HydrophobicContact CG2-CG1 4.25Å; L354-V372 HydrophobicContact CD1-CB 4.42Å; L354-V372 HydrophobicContact CD1-CG1 3.63Å; L354-V372 HydrophobicContact CD1-CG2 3.85Å; T358-V372 HydrophobicContact CG2-CG1 3.43Å; T358-V372 VanDerWaalsContact CG2-CG1 3.43Å; Y359-V372 WeakPolarHBondContact O-CA 3.3Å; R360-V372 HydrophobicContact CB-CG2 4.37Å; R360-V372 HydrophobicContact CG-CG2 4.4Å
373	V	87.4	Confident	87.7	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.5	-172.8	-59.6	0	0	0	0	111.5	L327 Y359 I361 Q371 L378	L327-V373 HydrophobicContact CD1-CB 4.26Å; L327-V373 HydrophobicContact CD1-CG1 3.84Å; L327-V373 HydrophobicContact CD1-CG2 4.29Å; Y359-V373 PolarHBondContact N-O 2.83Å; Y359-V373 PolarHBondContact O-N 3.23Å; I361-V373 HydrophobicContact CD1-CG1 4.13Å; I361-V373 HydrophobicContact CD1-CG2 3.6Å; I361-V373 HydrophobicContact CG1-CG1 4.44Å; I361-V373 HydrophobicContact CG1-CG2 3.87Å; I361-V373 HydrophobicContact CG2-CG2 4.08Å; Q371-V373 HydrophobicContact CB-CG1 4.22Å; V373-L378 HydrophobicContact CG2-CD1 4.21Å; V373-L378 HydrophobicContact CG2-CD2 3.67Å; V373-L378 HydrophobicContact CG2-CG 4.05Å
374	H	86.5	Confident	87.4	Confident	10 Å²	10	62 Å²	62	5%	0.046	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	148.7	173.7	-167.6	-87	0	0	0	111.5	H199 V357 D376 R377	H199-H374 HydrophobicContact CB-CB 4.21Å; H199-H374 AromaticContact CD2-CD2 3.67Å; H199-H374 AromaticContact CD2-CE1 3.6Å; H199-H374 AromaticContact CD2-CG 3.31Å; H199-H374 AromaticContact CD2-ND1 3.26Å; H199-H374 PolarHBondContact CD2-ND1 2.9Å; H199-H374 VanDerWaalsContact CD2-ND1 3.26Å; H199-H374 AromaticContact CD2-NE2 3.84Å; H199-H374 AromaticContact CE1-CD2 3.67Å; H199-H374 AromaticContact CE1-CE1 3.47Å; H199-H374 PolarHBondContact CE1-CE1 3.2Å; H199-H374 VanDerWaalsContact CE1-CE1 3.47Å; H199-H374 AromaticContact CE1-ND1 3.94Å; H199-H374 AromaticContact CE1-NE2 3.28Å; H199-H374 PolarHBondContact CE1-NE2 3.34Å; H199-H374 VanDerWaalsContact CE1-NE2 3.28Å; H199-H374 AromaticContact CG-CD2 3.73Å; H199-H374 AromaticContact CG-CG 3.71Å; H199-H374 AromaticContact ND1-CD2 3.79Å; H199-H374 AromaticContact ND1-NE2 3.85Å; H199-H374 AromaticContact NE2-CD2 3.67Å; H199-H374 AromaticContact NE2-CE1 3.02Å; H199-H374 PolarHBondContact NE2-CE1 3.31Å; H199-H374 AromaticContact NE2-CG 3.59Å; H199-H374 AromaticContact NE2-ND1 3.19Å; H199-H374 PolarHBondContact NE2-ND1 2.75Å; H199-H374 VanDerWaalsContact NE2-ND1 3.19Å; H199-H374 AromaticContact NE2-NE2 3.33Å; H199-H374 PolarHBondContact NE2-NE2 2.9Å; V357-H374 WeakPolarHBondContact CB-NE2 3.47Å; V357-H374 VanDerWaalsContact CG2-NE2 3.31Å; V357-H374 WeakPolarHBondContact CG2-NE2 3.44Å; V357-H374 CarbonylContact O-C 3.55Å; V357-H374 WeakPolarHBondContact O-CA 3.29Å; V357-H374 PolarHBondContact O-CD2 3.14Å; H374-D376 VanDerWaalsContact C-N 3.27Å; H374-D376 VanDerWaalsContact CE1-CG 3.41Å; H374-D376 IonicContact CE1-OD1 2.73Å; H374-D376 PolarHBondContact CE1-OD1 2.95Å; H374-D376 IonicContact CE1-OD2 2.58Å; H374-D376 PolarHBondContact ND1-N 3.34Å; H374-D376 VanDerWaalsContact ND1-N 3.16Å; H374-D376 IonicContact ND1-OD1 3.53Å; H374-D376 PolarHBondContact ND1-OD1 2.83Å; H374-D376 IonicContact ND1-OD2 3.12Å; H374-D376 PolarHBondContact O-N 3.42Å; H374-R377 WeakPolarHBondContact O-CB 3.46Å; H374-R377 PolarHBondContact O-N 3.1Å
375	A	87.5	Confident	87.4	Confident	5 Å²	5	59.7 Å²	59.7	4%	0.041	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-52.6	-39.5	179.9	0	0	0	0	0	113.3	A98 F319 V357 Y359 R377 L378	A98-A375 HydrophobicContact CB-CB 3.98Å; F319-A375 HydrophobicContact CE2-CB 4.3Å; V357-A375 WeakPolarHBondContact O-CB 3.46Å; V357-A375 PolarHBondContact O-N 3.36Å; Y359-A375 HydrophobicContact CD2-CB 4.4Å; Y359-A375 HydrophobicContact CE2-CB 3.95Å; A375-R377 PolarHBondContact O-N 2.85Å; A375-L378 WeakPolarHBondContact O-CA 3.41Å; A375-L378 WeakPolarHBondContact O-CB 3.42Å; A375-L378 PolarHBondContact O-N 2.78Å
376	D	85.8	Confident	87.3	Confident	26 Å²	26	59.3 Å²	59.3	14%	0.139	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-56.9	-20.5	176.4	-59.7	6.3	0	0	0	114.8	G96 A98 H199 H374	G96-D376 WeakPolarHBondContact O-CA 3.48Å; A98-D376 VanDerWaalsContact CB-OD1 3.32Å; A98-D376 WeakPolarHBondContact CB-OD1 3.23Å; A98-D376 PolarHBondContact N-OD1 2.92Å; H199-D376 IonicContact CD2-OD2 2.81Å; H199-D376 IonicContact NE2-OD2 3.62Å; H199-D376 PolarHBondContact NE2-OD2 3.41Å; H374-D376 VanDerWaalsContact C-N 3.27Å; H374-D376 VanDerWaalsContact CE1-CG 3.41Å; H374-D376 IonicContact CE1-OD1 2.73Å; H374-D376 PolarHBondContact CE1-OD1 2.95Å; H374-D376 IonicContact CE1-OD2 2.58Å; H374-D376 PolarHBondContact ND1-N 3.34Å; H374-D376 VanDerWaalsContact ND1-N 3.16Å; H374-D376 IonicContact ND1-OD1 3.53Å; H374-D376 PolarHBondContact ND1-OD1 2.83Å; H374-D376 IonicContact ND1-OD2 3.12Å; H374-D376 PolarHBondContact O-N 3.42Å
377	R	86.7	Confident	86.9	Confident	19 Å²	19	59.3 Å²	59.3	7%	0.072	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-93.2	-0.2	176.8	-63.3	-175.4	60.5	-156.3	-10.9	112.5	P197 L327 F328 H374 A375	P197-R377 PolarHBondContact O-NH1 3.2Å; L327-R377 CarbonylContact C-O 3.59Å; L327-R377 WeakPolarHBondContact CA-O 3.21Å; L327-R377 HydrophobicContact CD1-CB 4.14Å; F328-R377 HydrophobicContact CB-CB 4.46Å; F328-R377 PolarHBondContact N-O 3.16Å; F328-R377 PolarHBondContact O-NE 2.97Å; F328-R377 PolarHBondContact O-NH2 2.99Å; H374-R377 WeakPolarHBondContact O-CB 3.46Å; H374-R377 PolarHBondContact O-N 3.1Å; A375-R377 PolarHBondContact O-N 2.85Å
378	L	89.8	Confident	86	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	152.5	-179.2	-59.8	-179.1	0	0	0	110.5	F319 V325 F326 L327 Y359 I361 V373 A375	F319-L378 HydrophobicContact CD2-CD1 4.26Å; F319-L378 HydrophobicContact CE1-CB 4.24Å; F319-L378 HydrophobicContact CE2-CB 3.71Å; F319-L378 HydrophobicContact CE2-CD1 4.21Å; F319-L378 HydrophobicContact CZ-CB 3.54Å; V325-L378 HydrophobicContact CB-CD2 4.32Å; V325-L378 HydrophobicContact CG2-CD2 3.86Å; F326-L378 CarbonylContact O-C 3.28Å; F326-L378 WeakPolarHBondContact O-CA 3.32Å; L327-L378 HydrophobicContact CD1-CD2 4.38Å; Y359-L378 HydrophobicContact CD2-CD1 3.98Å; Y359-L378 HydrophobicContact CG-CD1 4.32Å; I361-L378 HydrophobicContact CD1-CD2 4.15Å; I361-L378 HydrophobicContact CG2-CD1 4.4Å; I361-L378 HydrophobicContact CG2-CD2 4.29Å; V373-L378 HydrophobicContact CG2-CD1 4.21Å; V373-L378 HydrophobicContact CG2-CD2 3.67Å; V373-L378 HydrophobicContact CG2-CG 4.05Å; A375-L378 WeakPolarHBondContact O-CA 3.41Å; A375-L378 WeakPolarHBondContact O-CB 3.42Å; A375-L378 PolarHBondContact O-N 2.78Å
379	K	89	Confident	84.4	Confident	55 Å²	55	51.7 Å²	51.7	24%	0.239	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	137.5	169.3	173.4	-173.9	170.5	-168.7	0	107.4	N87 V325 F326 W344 C381	N87-K379 PolarHBondContact OD1-NZ 3.48Å; V325-K379 CarbonylContact C-O 3.54Å; V325-K379 VanDerWaalsContact CA-O 3.27Å; V325-K379 WeakPolarHBondContact CA-O 3.35Å; F326-K379 HydrophobicContact CB-CB 4.39Å; F326-K379 PolarHBondContact N-O 2.89Å; F326-K379 PolarHBondContact O-N 2.94Å; W344-K379 HydrophobicContact CD2-CB 4.49Å; W344-K379 HydrophobicContact CD2-CD 4.4Å; W344-K379 HydrophobicContact CE3-CB 3.89Å; W344-K379 HydrophobicContact CH2-CB 3.7Å; W344-K379 HydrophobicContact CZ2-CB 4.31Å; W344-K379 HydrophobicContact CZ2-CD 4.38Å; W344-K379 HydrophobicContact CZ3-CB 3.45Å; W344-K379 VanDerWaalsContact CZ3-CB 3.45Å; K379-C381 PolarHBondContact O-N 3.2Å
380	S	90.2	Very high	82.5	Confident	75 Å²	75	59.7 Å²	59.7	52%	0.524	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	133.4	175.5	175.7	0	0	0	0	111.2
381	C	90	Very high	80.3	Confident	4 Å²	4	65.3 Å²	65.3	3%	0.027	31%	0.314	C	S	.	.			trans	-106.8	128.7	172.3	-179	0	0	0	0	108.1	L324 F326 K379	L324-C381 HydrophobicContact CB-CB 3.84Å; L324-C381 WeakPolarHBondContact O-CB 3.27Å; L324-C381 PolarHBondContact O-N 2.97Å; F326-C381 HydrophobicContact CD2-CB 3.66Å; F326-C381 HydrophobicContact CE2-CB 3.66Å; F326-C381 VanDerWaalsContact CE2-SG 3.51Å; F326-C381 HydrophobicContact CG-CB 4.45Å; F326-C381 HydrophobicContact CZ-CB 4.45Å; K379-C381 PolarHBondContact O-N 3.2Å
382	P	88.5	Confident	77.8	Confident	15 Å²	15	70.4 Å²	70.4	10%	0.097	34%	0.342	C	S	.	.			trans	-58.8	142	170.6	-22.1	32.7	0	0	0	111.6	R81 D384 I385	R81-P382 HydrophobicContact CG-CG 4.13Å; R81-P382 WeakPolarHBondContact O-CG 3.27Å; P382-D384 VanDerWaalsContact C-N 3.27Å; P382-D384 PolarHBondContact O-N 2.83Å; P382-I385 WeakPolarHBondContact O-CB 3.27Å; P382-I385 PolarHBondContact O-N 3.39Å
383	D	85.9	Confident	75.1	Confident	134 Å²	134	77.3 Å²	77.3	72%	0.717	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-34.7	176.8	-56.9	-41.5	0	0	0	112.2	I385	D383-I385 VanDerWaalsContact C-N 3.26Å; D383-I385 PolarHBondContact O-N 2.84Å
384	D	86.7	Confident	72.6	Confident	52 Å²	52	82 Å²	82	28%	0.278	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	32.7	179.4	64.9	-32	0	0	0	113.4	R78 R81 T82 P382 R386	R78-D384 IonicContact CZ-OD2 3.27Å; R78-D384 IonicContact NE-OD2 2.9Å; R78-D384 PolarHBondContact NE-OD2 2.8Å; R78-D384 IonicContact NH2-OD2 3.78Å; R78-D384 PolarHBondContact NH2-OD2 3.47Å; R81-D384 IonicContact CZ-OD1 3.84Å; R81-D384 IonicContact NH1-OD1 2.67Å; R81-D384 IonicContact NH2-OD1 3.79Å; R81-D384 PolarHBondContact NH2-OD1 3.35Å; R81-D384 IonicContact NH2-OD2 3.74Å; R81-D384 PolarHBondContact NH2-OD2 3.43Å; T82-D384 WeakPolarHBondContact CB-O 3.35Å; T82-D384 HydrophobicContact CG2-CB 4.32Å; T82-D384 VanDerWaalsContact CG2-O 3.27Å; T82-D384 WeakPolarHBondContact CG2-O 3.44Å; T82-D384 VanDerWaalsContact CG2-OD1 3.29Å; T82-D384 WeakPolarHBondContact CG2-OD1 3.3Å; T82-D384 WeakPolarHBondContact CG2-OD2 3.45Å; P382-D384 VanDerWaalsContact C-N 3.27Å; P382-D384 PolarHBondContact O-N 2.83Å; D384-R386 PolarHBondContact O-N 3.02Å
385	I	87.7	Confident	70.1	Confident	13 Å²	13	87 Å²	87	7%	0.067	43%	0.429	C	S	.	.			trans	-63.6	132.4	-179.5	-169.8	158.4	0	0	0	112.8	W84 F326 P382 D383 F387	W84-I385 HydrophobicContact CE3-CD1 3.59Å; W84-I385 HydrophobicContact CE3-CG1 4.12Å; W84-I385 HydrophobicContact CZ3-CD1 4.03Å; F326-I385 HydrophobicContact CE1-CD1 4.15Å; F326-I385 HydrophobicContact CE2-CD1 3.89Å; F326-I385 HydrophobicContact CZ-CD1 3.23Å; P382-I385 WeakPolarHBondContact O-CB 3.27Å; P382-I385 PolarHBondContact O-N 3.39Å; D383-I385 VanDerWaalsContact C-N 3.26Å; D383-I385 PolarHBondContact O-N 2.84Å; I385-F387 HydrophobicContact CG2-CE2 4.19Å; I385-F387 HydrophobicContact CG2-CZ 4.23Å; I385-F387 PolarHBondContact O-N 2.84Å
386	R	84.6	Confident	67.7	Low	79 Å²	79	93.6 Å²	93.6	30%	0.298	46%	0.463	S	S	.	.	B	Isolated β-bridge	trans	-90.6	101.9	-177.6	-63.2	-179.2	-62.7	130.2	-2.3	110.3	Y79 T82 W84 D384	Y79-R386 VanDerWaalsContact CE2-CZ 3.41Å; Y79-R386 VanDerWaalsContact CG-NH2 3.3Å; Y79-R386 VanDerWaalsContact CZ-NH2 3.31Å; Y79-R386 PolarHBondContact O-NH2 2.66Å; Y79-R386 PolarHBondContact OH-NH1 2.82Å; T82-R386 PolarHBondContact O-N 2.82Å; T82-R386 PolarHBondContact OG1-NE 3.15Å; W84-R386 VanDerWaalsContact CB-O 3.24Å; W84-R386 WeakPolarHBondContact CB-O 3.45Å; D384-R386 PolarHBondContact O-N 3.02Å
387	F	77.8	Confident	65.1	Low	125 Å²	125	98.3 Å²	98.3	55%	0.548	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-59.9	151.8	172	-64.9	-84.3	0	0	0	110.9	W84 P347 I385 E389	W84-F387 HydrophobicContact CZ3-CE1 4.42Å; P347-F387 HydrophobicContact CG-CE1 3.96Å; P347-F387 HydrophobicContact CG-CZ 3.78Å; I385-F387 HydrophobicContact CG2-CE2 4.19Å; I385-F387 HydrophobicContact CG2-CZ 4.23Å; I385-F387 PolarHBondContact O-N 2.84Å; F387-E389 PolarHBondContact O-N 3.02Å; F387-E389 VanDerWaalsContact O-N 3.17Å
388	Q	64.3	Low	62.6	Low	119 Å²	119	101.4 Å²	101.4	56%	0.556	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-60.6	121.8	161.6	-69.8	-171.9	-17.3	0	0	107.2	E85 K390	E85-Q388 PolarHBondContact OE1-NE2 3.36Å; Q388-K390 PolarHBondContact O-N 2.95Å
389	E	51.2	Low	60.2	Low	135 Å²	135	109.6 Å²	109.6	63%	0.631	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-46.2	119.6	154	-78.7	156.7	-157.8	0	0	105	R43 F387 K391	R43-E389 IonicContact CZ-OE1 3.59Å; R43-E389 IonicContact CZ-OE2 3.5Å; R43-E389 IonicContact NH1-OE1 2.72Å; R43-E389 IonicContact NH1-OE2 3.38Å; R43-E389 PolarHBondContact NH1-OE2 3.42Å; R43-E389 IonicContact NH2-OE1 3.52Å; R43-E389 PolarHBondContact NH2-OE1 3.22Å; R43-E389 IonicContact NH2-OE2 2.72Å; F387-E389 PolarHBondContact O-N 3.02Å; F387-E389 VanDerWaalsContact O-N 3.17Å; E389-K391 VanDerWaalsContact C-N 3.34Å; E389-K391 PolarHBondContact O-N 2.91Å
390	K	47.1	Very low	57.6	Low	199 Å²	199	116.4 Å²	116.4	87%	0.865	57%	0.573	S	S	*	*			trans	-50.2	109	174.5	-75.9	176.2	-178.8	172.3	0	104.7	Q388 L392	Q388-K390 PolarHBondContact O-N 2.95Å; K390-L392 VanDerWaalsContact C-N 3.33Å; K390-L392 PolarHBondContact O-N 2.76Å
391	K	42.5	Very low	55	Low	185 Å²	185	116 Å²	116	80%	0.804	57%	0.568	S	S	*	*			trans	-50.4	115	161.6	-75.9	-172.4	177.4	-172.9	0	102.8	E389 R393	E389-K391 VanDerWaalsContact C-N 3.34Å; E389-K391 PolarHBondContact O-N 2.91Å; K391-R393 PolarHBondContact O-N 2.84Å
392	L	36.2	Very low	52.4	Low	175 Å²	175	125.9 Å²	125.9	92%	0.916	60%	0.604	S	S	*	*			trans	-56.4	92.4	169.2	-167	77	0	0	0	103.1	K390 S394	K390-L392 VanDerWaalsContact C-N 3.33Å; K390-L392 PolarHBondContact O-N 2.76Å; L392-S394 VanDerWaalsContact C-N 3.28Å; L392-S394 PolarHBondContact O-N 3.25Å
393	R	32.8	Very low	49.8	Very low	197 Å²	197	135.6 Å²	135.6	74%	0.743	64%	0.639	S	S	*	*			trans	-67.3	105.8	175.4	-73.7	-176.1	-178.9	-161.8	-1.3	101.3	K391	K391-R393 PolarHBondContact O-N 2.84Å
394	S	34	Very low	47.3	Very low	99 Å²	99	132.5 Å²	132.5	69%	0.692	63%	0.632	S	S	*	*			trans	-43.9	129.3	150.7	41.8	0	0	0	0	105.3	L392 L396	L392-S394 VanDerWaalsContact C-N 3.28Å; L392-S394 PolarHBondContact O-N 3.25Å; S394-L396 PolarHBondContact O-N 3.33Å
395	P	34.3	Very low	44.7	Very low	115 Å²	115	140 Å²	140	75%	0.747	66%	0.656	S	S	*	*			trans	-47.4	123.8	-176.3	-25.2	32.3	0	0	0	107.2	T397	P395-T397 PolarHBondContact O-N 3.48Å
396	L	37.5	Very low	42.2	Very low	143 Å²	143	149.9 Å²	149.9	75%	0.749	69%	0.693	S	S	*	*			trans	-52.7	102.9	170.8	-79.3	156	0	0	0	104.8	S394 D398	S394-L396 PolarHBondContact O-N 3.33Å; L396-D398 PolarHBondContact O-N 2.84Å
397	T	30.1	Very low	39.8	Very low	125 Å²	125	152.9 Å²	152.9	77%	0.767	72%	0.715	S	S	*	*			trans	-61.3	93.7	171.4	4.4	0	0	0	0	104.5	P395 Q399	P395-T397 PolarHBondContact O-N 3.48Å; T397-Q399 PolarHBondContact O-N 3.07Å; T397-Q399 VanDerWaalsContact O-N 3.1Å
398	D	34.3	Very low	37.6	Very low	84 Å²	84	154.8 Å²	154.8	45%	0.449	73%	0.725	S	S	.	*			trans	-51.3	119	177.4	-178.2	-2.4	0	0	0	106.7	L396 R400 T401	L396-D398 PolarHBondContact O-N 2.84Å; D398-R400 PolarHBondContact O-N 3.42Å; D398-R400 WeakPolarHBondContact OD1-CB 3.29Å; D398-R400 WeakPolarHBondContact OD1-CG 3.44Å; D398-R400 PolarHBondContact OD1-N 2.97Å; D398-T401 PolarHBondContact O-N 3.29Å; D398-T401 PolarHBondContact O-OG1 2.82Å
399	Q	38.7	Very low	35.9	Very low	173 Å²	173	152.8 Å²	152.8	81%	0.808	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	-12.8	178.4	-73.8	177.7	-7.9	0	0	111.8	T397	T397-Q399 PolarHBondContact O-N 3.07Å; T397-Q399 VanDerWaalsContact O-N 3.1Å
400	R	35.9	Very low	34.6	Very low	199 Å²	199	151.5 Å²	151.5	75%	0.751	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-28.6	168.2	-67.5	176.4	168	-176	-4.1	114.1	D398 R402 R403	D398-R400 PolarHBondContact O-N 3.42Å; D398-R400 WeakPolarHBondContact OD1-CB 3.29Å; D398-R400 WeakPolarHBondContact OD1-CG 3.44Å; D398-R400 PolarHBondContact OD1-N 2.97Å; R400-R402 PolarHBondContact O-N 2.76Å; R400-R403 PolarHBondContact O-N 2.94Å; R400-R403 VanDerWaalsContact O-N 3.15Å
401	T	36	Very low	33.8	Very low	67 Å²	67	150.4 Å²	150.4	41%	0.411	75%	0.745	S	S	.	*	H	α-helix	trans	-73.4	-11.5	178.4	54.1	0	0	0	0	113.9	D398 R403 R405	D398-T401 PolarHBondContact O-N 3.29Å; D398-T401 PolarHBondContact O-OG1 2.82Å; T401-R403 VanDerWaalsContact C-N 3.32Å; T401-R405 PolarHBondContact O-N 2.83Å
402	R	34.2	Very low	32.8	Very low	211 Å²	211	150.3 Å²	150.3	80%	0.796	75%	0.747	S	S	*	*	H	α-helix	trans	-69.1	-28.5	167.4	-80.9	-172	170.5	-174.4	-3.3	113.2	R400	R400-R402 PolarHBondContact O-N 2.76Å
403	R	34.5	Very low	32.3	Very low	219 Å²	219	145.2 Å²	145.2	83%	0.826	74%	0.737	S	S	*	*	H	α-helix	trans	-78.6	-37.2	174.2	-82.7	-175.9	176.7	176.2	-1.5	111.9	R400 T401 R405 R406	R400-R403 PolarHBondContact O-N 2.94Å; R400-R403 VanDerWaalsContact O-N 3.15Å; T401-R403 VanDerWaalsContact C-N 3.32Å; R403-R405 VanDerWaalsContact C-N 3.31Å; R403-R405 PolarHBondContact O-N 2.75Å; R403-R406 PolarHBondContact O-N 3.29Å
404	A	32.8	Very low	31.9	Very low	69 Å²	69	144.2 Å²	144.2	57%	0.57	74%	0.744	S	S	*	*	H	α-helix	trans	-72.3	-20.9	179.8	0	0	0	0	0	114.3
405	R	33.5	Very low	31.2	Very low	209 Å²	209	142.6 Å²	142.6	79%	0.789	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-2.1	176.2	-72.3	-172.8	179.7	-172.9	-0.5	114.4	T401 R403 D407	T401-R405 PolarHBondContact O-N 2.83Å; R403-R405 VanDerWaalsContact C-N 3.31Å; R403-R405 PolarHBondContact O-N 2.75Å; R405-D407 VanDerWaalsContact C-N 3.32Å
406	R	33.1	Very low	30.7	Very low	221 Å²	221	143.4 Å²	143.4	83%	0.834	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-18	175.5	-111.7	-179.6	-174.8	176.1	0.3	113.3	R403	R403-R406 PolarHBondContact O-N 3.29Å
407	D	35.1	Very low	30	Very low	141 Å²	141	141.2 Å²	141.2	75%	0.754	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	11.8	-178.6	-77.8	-8.6	0	0	0	114.8	R405	R405-D407 VanDerWaalsContact C-N 3.32Å
408	H	31.7	Very low	30	Very low	166 Å²	166	143.9 Å²	143.9	77%	0.769	75%	0.749	S	S	*	*	S	Bend	trans	-125.5	119.6	168	-75.3	-58.8	0	0	0	111.3
409	G	28.3	Very low	29.6	Very low	76 Å²	76	147.5 Å²	147.5	78%	0.784	76%	0.763	S	S	*	*			trans	-43.7	148.8	-170.1	0	0	0	0	0	117.5
410	S	24.3	Very low	29	Very low	109 Å²	109	146.8 Å²	146.8	76%	0.762	76%	0.76	S	S	*	*			trans	-32.6	126.9	160.3	-169.9	0	0	0	0	114.2
411	L	29.3	Very low	28.7	Very low	175 Å²	175	144.2 Å²	144.2	92%	0.916	76%	0.761	S	S	*	*			trans	-137.9	120.2	147.4	-102.7	150.1	0	0	0	107.5
412	Q	23.1	Very low	28.2	Very low	184 Å²	184	145.2 Å²	145.2	86%	0.86	78%	0.776	S	S	*	*			trans	-65.9	156	-178.2	-64.6	161.3	-17.3	0	0	111.4
413	G	24.3	Very low	27.8	Very low	68 Å²	68	146 Å²	146	70%	0.701	78%	0.78	S	S	*	*			trans	139.5	99.1	147	0	0	0	0	0	117.8
414	I	24	Very low	27.3	Very low	175 Å²	175	144 Å²	144	90%	0.897	78%	0.781	S	S	*	*			trans	70.1	115.5	139.2	-48.3	174.7	0	0	0	118.3
415	G	19.8	Very low	27.1	Very low	66 Å²	66	145.9 Å²	145.9	68%	0.68	79%	0.787	S	S	*	*			trans	-85.3	-179.2	169.4	0	0	0	0	0	114.3
416	P	25	Very low	26.8	Very low	132 Å²	132	142 Å²	142	86%	0.857	79%	0.789	S	S	*	*				-130.2	141.3	128.5	29.2	-15.6	0	0	0	112.9
417	S	22.2	Very low	26.3	Very low	97 Å²	97	143.4 Å²	143.4	68%	0.678	79%	0.794	S	S	*	*			trans	-63.9	143	167.2	47.9	0	0	0	0	113.2
418	H	31	Very low	25.7	Very low	180 Å²	180	145.4 Å²	145.4	83%	0.833	80%	0.801	S	S	*	*			trans	-179	92.5	141.3	-89.8	-65.6	0	0	0	106.1
419	Q	24	Very low	25.3	Very low	161 Å²	161	144.9 Å²	144.9	75%	0.752	80%	0.802	S	S	*	*				56	122.6	88.6	-78.6	-169.8	-3.3	0	0	116.7
420	H	26.5	Very low	25.1	Very low	158 Å²	158	148.8 Å²	148.8	73%	0.731	80%	0.804	S	S	*	*			trans	116	124.2	145.2	-78.2	-69.7	0	0	0	121.8
421	N	29.7	Very low	25.1	Very low	145 Å²	145	149.6 Å²	149.6	78%	0.775	81%	0.805	S	S	*	*			trans	97.5	80.9	150.7	-67.4	-0.1	0	0	0	119.6
422	A	25.8	Very low	24.8	Very low	88 Å²	88	147.4 Å²	147.4	73%	0.727	79%	0.794	S	S	*	*			trans	-37.9	133.8	146.7	0	0	0	0	0	114.3
423	Y	27	Very low	24.8	Very low	227 Å²	227	149.8 Å²	149.8	89%	0.89	80%	0.797	S	S	*	*			trans	-125.9	103.7	152.4	-149.8	-90.3	0	0	0	106.3
424	Q	23.7	Very low	24.9	Very low	178 Å²	178	153.4 Å²	153.4	83%	0.832	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-84.2	123.1	177.8	-75.1	-178.9	-7.1	0	0	109.7
425	P	27.2	Very low	24.9	Very low	108 Å²	108	151.2 Å²	151.2	70%	0.701	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-83.3	162.3	171	23.3	-14.8	0	0	0	112.4
426	P	27.1	Very low	25.3	Very low	128 Å²	128	157.5 Å²	157.5	83%	0.831	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-68.9	136.3	-170.9	-13.2	27.9	0	0	0	112.9	M428	P426-M428 PolarHBondContact O-N 3.37Å
427	R	23.8	Very low	25.2	Very low	249 Å²	249	156.7 Å²	156.7	94%	0.94	79%	0.794	S	S	*	*			trans	-60.5	114.9	172.6	-76.2	176.5	167.9	169.2	-4.6	110.4
428	M	22	Very low	25.4	Very low	183 Å²	183	156 Å²	156	90%	0.901	80%	0.802	S	S	*	*			trans	-86.9	123.2	157.1	-91.8	-170.3	-62.8	0	0	108.4	P426 L430	P426-M428 PolarHBondContact O-N 3.37Å; M428-L430 PolarHBondContact O-N 2.96Å
429	I	24	Very low	25	Very low	156 Å²	156	152.1 Å²	152.1	80%	0.8	80%	0.795	S	S	*	*			trans	-70.3	113.1	173.5	-62.3	166.1	0	0	0	107.2
430	L	24.1	Very low	25.1	Very low	157 Å²	157	153 Å²	153	82%	0.822	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-83.6	120.9	166.7	-86.5	154.9	0	0	0	107	M428	M428-L430 PolarHBondContact O-N 2.96Å
431	V	23.9	Very low	24.9	Very low	127 Å²	127	152.1 Å²	152.1	77%	0.77	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-83.3	118	172.2	-171.7	0	0	0	0	107.1
432	D	22.6	Very low	24.7	Very low	128 Å²	128	151.8 Å²	151.8	68%	0.684	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-69	125.6	177.7	-70.8	-41.8	0	0	0	110.6	Q434	D432-Q434 HydrophobicContact CB-CG 4.34Å
433	Y	24.2	Very low	24.5	Very low	235 Å²	235	157.1 Å²	157.1	92%	0.922	80%	0.8	S	S	*	*			trans	-100.7	96.8	157.8	-112.8	-91.5	0	0	0	107
434	Q	25.6	Very low	24.5	Very low	144 Å²	144	154.2 Å²	154.2	67%	0.673	79%	0.794	S	S	*	*			trans	-81.4	131.7	173.4	-71.7	-176.8	-9.6	0	0	110.6	D432	D432-Q434 HydrophobicContact CB-CG 4.34Å
435	N	23.8	Very low	24.5	Very low	129 Å²	129	155.1 Å²	155.1	69%	0.69	80%	0.799	S	S	*	*			trans	51.3	107.9	132.6	-56.7	-16.9	0	0	0	119.2
436	H	29	Very low	24.4	Very low	197 Å²	197	157.8 Å²	157.8	91%	0.912	81%	0.806	S	S	*	*				-127.7	107.2	129	-82.4	-66.5	0	0	0	110.4
437	S	23.2	Very low	24.2	Very low	116 Å²	116	157 Å²	157	81%	0.811	80%	0.804	S	S	*	*			trans	-59.7	132.5	158.7	45.3	0	0	0	0	111.1
438	G	26	Very low	24.4	Very low	82 Å²	82	150.5 Å²	150.5	85%	0.845	79%	0.794	S	S	*	*			trans	-143.6	86.3	167.3	0	0	0	0	0	108.8
439	S	21.2	Very low	24.4	Very low	99 Å²	99	146.5 Å²	146.5	69%	0.692	78%	0.784	S	S	*	*			trans	-76.3	124.9	169.2	173.5	0	0	0	0	108.8
440	L	27.6	Very low	24.4	Very low	180 Å²	180	145 Å²	145	94%	0.942	78%	0.782	S	S	*	*			trans	-139.3	111	150.7	-84.9	176.2	0	0	0	108.5
441	D	22.3	Very low	24.6	Very low	139 Å²	139	143.1 Å²	143.1	74%	0.743	78%	0.782	S	S	*	*			trans	-75.4	170.2	171.4	-111.4	-35.1	0	0	0	111
442	E	23.8	Very low	24.7	Very low	137 Å²	137	145.7 Å²	145.7	64%	0.64	79%	0.786	S	S	*	*			trans	89.1	105.6	155.1	-73.1	-175.2	138.6	0	0	121.3
443	R	23	Very low	24.9	Very low	200 Å²	200	147.5 Å²	147.5	76%	0.755	79%	0.794	S	S	*	*				100.9	144.3	111.9	-81.5	179.8	-159.7	-131.4	9.2	120.7
444	Q	26.7	Very low	24.9	Very low	166 Å²	166	141.9 Å²	141.9	78%	0.776	79%	0.787	S	S	*	*			trans	78.1	99.4	165.9	-65.4	166.5	27.6	0	0	114.5
445	Q	23.7	Very low	25	Very low	197 Å²	197	139.4 Å²	139.4	92%	0.921	79%	0.791	S	S	*	*				44	90.5	54	-72.3	-169.1	7.1	0	0	113.7
446	L	25.7	Very low	25.1	Very low	165 Å²	165	139.3 Å²	139.3	86%	0.864	80%	0.797	S	S	*	*			trans	-143.3	108.5	153.9	-95.7	153	0	0	0	108.7
447	S	22	Very low	24.8	Very low	111 Å²	111	139.1 Å²	139.1	78%	0.776	80%	0.797	S	S	*	*			trans	-122.3	131.2	156.5	54.5	0	0	0	0	105.3
448	P	27	Very low	24.9	Very low	113 Å²	113	145 Å²	145	73%	0.734	80%	0.801	S	S	*	*				-145.5	178.3	95.2	38	-20	0	0	0	109.6
449	S	23.8	Very low	24.9	Very low	99 Å²	99	147.2 Å²	147.2	69%	0.692	80%	0.801	S	S	*	*			cis	-168.8	140.1	12	24.8	0	0	0	0	106.5
450	T	23.1	Very low	25	Very low	125 Å²	125	152.6 Å²	152.6	77%	0.767	81%	0.812	S	S	*	*			trans	21.5	115.5	134.3	-34.3	0	0	0	0	119.3
451	S	29	Very low	24.7	Very low	116 Å²	116	155.5 Å²	155.5	81%	0.811	81%	0.81	S	S	*	*			trans	-141.5	108.7	137	64.2	0	0	0	0	109.5
452	Q	25.4	Very low	24.9	Very low	181 Å²	181	154.7 Å²	154.7	85%	0.846	82%	0.815	S	S	*	*			trans	-84.1	125.9	168.5	-69.8	175.3	-11.6	0	0	107.3
453	L	25.9	Very low	24.8	Very low	166 Å²	166	153 Å²	153	87%	0.869	82%	0.819	S	S	*	*			trans	-124.3	142.6	161.5	-82.2	169.9	0	0	0	109.4
454	P	26	Very low	24.9	Very low	117 Å²	117	155.3 Å²	155.3	76%	0.76	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-91.3	161.7	-152.1	35.5	-33.9	0	0	0	114.1
455	A	26.3	Very low	24.7	Very low	92 Å²	92	154 Å²	154	76%	0.76	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-75.3	142.6	-179.2	0	0	0	0	0	112.7
456	P	26.4	Very low	24.8	Very low	127 Å²	127	153.1 Å²	153.1	83%	0.825	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-80.4	134.2	-176.9	30	-32.5	0	0	0	113.2
457	E	22.9	Very low	24.6	Very low	194 Å²	194	152.9 Å²	152.9	91%	0.907	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-69.1	143.5	174	-68.5	-173.6	147.8	0	0	112.7
458	R	24.6	Very low	24.5	Very low	239 Å²	239	151.2 Å²	151.2	90%	0.902	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-88.2	135.6	179.5	-76.7	-179.3	176.9	-175.2	0	111.6
459	P	25.9	Very low	24.4	Very low	128 Å²	128	149.8 Å²	149.8	83%	0.831	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-74	141.5	179.2	-7.6	21.8	0	0	0	113.4
460	K	23.5	Very low	24.5	Very low	212 Å²	212	154.7 Å²	154.7	92%	0.922	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-69.3	130.1	175.7	-68.1	173.4	178.7	173	0	110.8
461	R	22.4	Very low	24.4	Very low	242 Å²	242	155.2 Å²	155.2	91%	0.913	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-74.1	119.5	172.9	-94.2	178.2	171.1	173.6	-0.9	110.2
462	S	25.3	Very low	24.3	Very low	121 Å²	121	160 Å²	160	85%	0.846	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-95.5	123.8	160.3	-174.6	0	0	0	0	109.5
463	S	22.8	Very low	24.5	Very low	102 Å²	102	158.9 Å²	158.9	71%	0.713	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-92	121.7	175.3	46.5	0	0	0	0	109.6
464	R	24.4	Very low	24.8	Very low	249 Å²	249	156.3 Å²	156.3	94%	0.94	82%	0.822	S	S	*	*			trans	-129.6	112.8	155.9	-108	-178.9	-179.7	171.4	0.2	109.3
465	I	23.1	Very low	24.8	Very low	137 Å²	137	156.6 Å²	156.6	70%	0.703	82%	0.822	S	S	*	*			trans	-88	123.1	174.7	-66.9	165.2	0	0	0	105.6	L467	I465-L467 HydrophobicContact CG2-CB 4.4Å; I465-L467 HydrophobicContact CG2-CD1 3.67Å; I465-L467 HydrophobicContact CG2-CG 3.8Å
466	L	24.8	Very low	25	Very low	179 Å²	179	160.8 Å²	160.8	94%	0.937	82%	0.823	S	S	*	*			trans	-109	104.3	161.2	-88.9	162.6	0	0	0	107
467	L	21.3	Very low	25.3	Very low	161 Å²	161	162.6 Å²	162.6	84%	0.843	82%	0.82	S	S	*	*			trans	-98.1	131.6	168.9	-89.6	156.2	0	0	0	107.4	I465	I465-L467 HydrophobicContact CG2-CB 4.4Å; I465-L467 HydrophobicContact CG2-CD1 3.67Å; I465-L467 HydrophobicContact CG2-CG 3.8Å
468	G	20.9	Very low	25.8	Very low	76 Å²	76	160.5 Å²	160.5	78%	0.784	82%	0.815	S	S	*	*			trans	129.7	126	179.5	0	0	0	0	0	108.8
469	A	24	Very low	26.3	Very low	83 Å²	83	152.8 Å²	152.8	69%	0.686	80%	0.795	S	S	*	*			cis	-161.5	-174.2	16.6	0	0	0	0	0	108.7
470	F	25.3	Very low	26.5	Very low	201 Å²	201	152.8 Å²	152.8	88%	0.882	79%	0.787	S	S	*	*			trans	103.7	77.2	165.8	-63	-77	0	0	0	118
471	N	22.9	Very low	26.8	Very low	137 Å²	137	150.5 Å²	150.5	73%	0.733	78%	0.778	S	S	*	*			trans	-52.7	158.6	144.5	-152.6	-4.3	0	0	0	113.4
472	R	27	Very low	27.2	Very low	216 Å²	216	145.3 Å²	145.3	82%	0.815	77%	0.768	S	S	*	*			trans	83.8	105.3	161.9	-52.8	-179.5	-175.7	-172.2	1.5	119
473	N	27.7	Very low	27.5	Very low	158 Å²	158	145.8 Å²	145.8	85%	0.845	76%	0.76	S	S	*	*				-166	134.1	112.9	-112.7	-21.4	0	0	0	112.9
474	P	33.1	Very low	28.1	Very low	112 Å²	112	144.7 Å²	144.7	73%	0.727	75%	0.749	S	S	*	*			trans	-107.9	102.1	-175.9	35.7	-22.4	0	0	0	112.1
475	T	26.9	Very low	28.3	Very low	122 Å²	122	139.6 Å²	139.6	75%	0.748	74%	0.735	S	S	*	*			trans	-162	67.4	165.4	41.7	0	0	0	0	111.3
476	F	30.5	Very low	28.8	Very low	180 Å²	180	142.7 Å²	142.7	79%	0.789	74%	0.74	S	S	*	*			trans	-143.8	34.1	172.6	-93.4	-75.8	0	0	0	114	N478	F476-N478 VanDerWaalsContact C-N 3.34Å; F476-N478 PolarHBondContact O-N 3.45Å
477	H	31.2	Very low	29.1	Very low	165 Å²	165	140.2 Å²	140.2	76%	0.764	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	4	-178.2	-144.4	-74.4	0	0	0	115.5
478	N	34.4	Very low	29.5	Very low	150 Å²	150	140.9 Å²	140.9	80%	0.802	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	9.7	-175.9	-83.4	-0.6	0	0	0	116.8	F476	F476-N478 VanDerWaalsContact C-N 3.34Å; F476-N478 PolarHBondContact O-N 3.45Å
479	T	34.5	Very low	29.8	Very low	78 Å²	78	140.2 Å²	140.2	48%	0.479	72%	0.717	S	S	.	*	S	Bend	trans	-105.1	-5.1	174.1	-22.6	0	0	0	0	113.9	F481	T479-F481 VanDerWaalsContact C-N 3.33Å
480	L	30.8	Very low	30.1	Very low	127 Å²	127	143.1 Å²	143.1	67%	0.665	72%	0.719	S	S	*	*	S	Bend	trans	-75.7	-22.2	178.5	-160.7	73.9	0	0	0	112.5
481	F	30	Very low	30.3	Very low	164 Å²	164	142.2 Å²	142.2	72%	0.719	72%	0.715	S	S	*	*	H	α-helix	trans	-75.3	-30.2	-174.5	-149.4	-96	0	0	0	113.4	T479	T479-F481 VanDerWaalsContact C-N 3.33Å
482	L	31.2	Very low	30.5	Very low	134 Å²	134	140.9 Å²	140.9	70%	0.702	72%	0.716	S	S	*	*	H	α-helix	trans	-86.5	-17.7	-173.8	-72.7	170.6	0	0	0	115.2
483	L	31.4	Very low	30.6	Very low	130 Å²	130	138.2 Å²	138.2	68%	0.681	72%	0.716	S	S	*	*	H	α-helix	trans	-93.8	-14.2	-179.6	-82.2	163.8	0	0	0	113.9
484	V	34.4	Very low	30.6	Very low	79 Å²	79	138.9 Å²	138.9	48%	0.479	72%	0.715	S	S	.	*	H	α-helix	trans	-79.5	-26.1	177.3	176.3	0	0	0	0	111.7
485	E	28.4	Very low	30.4	Very low	142 Å²	142	139.6 Å²	139.6	66%	0.664	72%	0.719	S	S	*	*	H	α-helix	trans	-74.7	-32.4	178.7	-68.1	-153.4	148.4	0	0	113.6	N487 K488	E485-N487 VanDerWaalsContact C-N 3.26Å; E485-N487 PolarHBondContact O-N 2.9Å; E485-K488 PolarHBondContact O-N 2.88Å
486	Y	33.2	Very low	30.6	Very low	203 Å²	203	138.6 Å²	138.6	80%	0.796	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-22.6	-177.4	-155.7	-97	0	0	0	113.6
487	N	32.9	Very low	30.5	Very low	126 Å²	126	134.2 Å²	134.2	67%	0.674	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	1.2	-177.4	-76.4	-30.8	0	0	0	115	E485 G489	E485-N487 VanDerWaalsContact C-N 3.26Å; E485-N487 PolarHBondContact O-N 2.9Å; N487-G489 VanDerWaalsContact C-N 3.34Å
488	K	29.1	Very low	30.5	Very low	175 Å²	175	132 Å²	132	76%	0.761	72%	0.724	S	S	*	*	S	Bend	trans	-86.8	0.1	173.3	-73.9	-174.3	178.8	178.5	0	114.1	E485	E485-K488 PolarHBondContact O-N 2.88Å
489	G	26.6	Very low	30.2	Very low	62 Å²	62	132.7 Å²	132.7	64%	0.639	73%	0.726	S	S	*	*			trans	-86.9	-10	-175.8	0	0	0	0	0	117.1	N487 K491	N487-G489 VanDerWaalsContact C-N 3.34Å; G489-K491 PolarHBondContact O-N 2.95Å
490	I	30	Very low	30	Very low	144 Å²	144	133.8 Å²	133.8	74%	0.738	74%	0.735	S	S	*	*			trans	-94.3	87.9	-174.7	-54.4	178.6	0	0	0	109.9	S492	I490-S492 PolarHBondContact O-N 2.78Å
491	K	29.7	Very low	29.9	Very low	183 Å²	183	133 Å²	133	80%	0.796	74%	0.74	S	S	*	*			trans	-63.6	119.8	168.3	-71.2	-179.9	176.6	179.6	0	110.1	G489	G489-K491 PolarHBondContact O-N 2.95Å
492	S	27.4	Very low	30.2	Very low	108 Å²	108	133.5 Å²	133.5	76%	0.755	74%	0.738	S	S	*	*			trans	29.8	94.9	146.3	58.1	0	0	0	0	117.4	I490	I490-S492 PolarHBondContact O-N 2.78Å
493	I	30	Very low	30.3	Very low	160 Å²	160	131.3 Å²	131.3	82%	0.821	74%	0.739	S	S	*	*			trans	-95.4	110.5	154.1	-63.1	173.2	0	0	0	106.4
494	E	26.7	Very low	30.6	Very low	173 Å²	173	135.3 Å²	135.3	81%	0.808	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-59.6	148	174.6	-72.9	-176.4	162.1	0	0	111.9	A496	E494-A496 PolarHBondContact O-N 3.32Å
495	P	28.4	Very low	30.6	Very low	126 Å²	126	134.8 Å²	134.8	82%	0.818	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-72.6	116.1	-166.3	27.8	-33.6	0	0	0	111.8	A497	P495-A497 PolarHBondContact O-N 3.45Å
496	A	31	Very low	30.8	Very low	101 Å²	101	130.9 Å²	130.9	84%	0.835	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-58.1	125.4	169.2	0	0	0	0	0	110.3	E494	E494-A496 PolarHBondContact O-N 3.32Å
497	A	29.9	Very low	30.7	Very low	89 Å²	89	124.9 Å²	124.9	74%	0.736	75%	0.753	S	S	*	*			trans	-41.4	137.3	-178	0	0	0	0	0	114	P495 L499	P495-A497 PolarHBondContact O-N 3.45Å; A497-L499 PolarHBondContact O-N 3.21Å
498	S	30.3	Very low	30.5	Very low	119 Å²	119	127.1 Å²	127.1	83%	0.832	76%	0.757	S	S	*	*			trans	-46.6	104.1	179.4	56.6	0	0	0	0	112.5
499	L	29.5	Very low	30.5	Very low	163 Å²	163	126.8 Å²	126.8	85%	0.853	76%	0.762	S	S	*	*			trans	-64.9	134.1	168.8	-76	165.1	0	0	0	109.3	A497 S501	A497-L499 PolarHBondContact O-N 3.21Å; L499-S501 PolarHBondContact O-N 3.47Å
500	P	29.4	Very low	30.6	Very low	101 Å²	101	129.8 Å²	129.8	66%	0.656	77%	0.768	S	S	*	*			trans	-58.8	133.1	-177.4	-24	32.2	0	0	0	113.1	Y502	P500-Y502 VanDerWaalsContact O-CD2 3.25Å; P500-Y502 WeakPolarHBondContact O-CD2 3.41Å; P500-Y502 PolarHBondContact O-N 3.48Å; P500-Y502 VanDerWaalsContact O-N 3.13Å
501	S	28.9	Very low	30.8	Very low	110 Å²	110	131.5 Å²	131.5	77%	0.769	77%	0.773	S	S	*	*			trans	-55.2	109.5	177.7	170.8	0	0	0	0	112.4	L499 A503	L499-S501 PolarHBondContact O-N 3.47Å; S501-A503 PolarHBondContact O-N 2.63Å
502	Y	35.5	Very low	30.9	Very low	176 Å²	176	130.7 Å²	130.7	69%	0.69	77%	0.772	S	S	*	*			trans	-84.7	38.3	174.3	-85.8	-83.6	0	0	0	113.2	P500 K504 A505	P500-Y502 VanDerWaalsContact O-CD2 3.25Å; P500-Y502 WeakPolarHBondContact O-CD2 3.41Å; P500-Y502 PolarHBondContact O-N 3.48Å; P500-Y502 VanDerWaalsContact O-N 3.13Å; Y502-K504 PolarHBondContact O-N 3.21Å; Y502-A505 PolarHBondContact O-N 2.8Å
503	A	33.8	Very low	31.1	Very low	87 Å²	87	132.1 Å²	132.1	72%	0.719	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	1.6	177.1	0	0	0	0	0	114.9	S501	S501-A503 PolarHBondContact O-N 2.63Å
504	K	36.9	Very low	31.2	Very low	214 Å²	214	127.6 Å²	127.6	93%	0.93	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.1	11.3	-178.8	-76.9	-176.4	177.7	175.7	0	116.1	Y502	Y502-K504 PolarHBondContact O-N 3.21Å
505	A	34.5	Very low	31.6	Very low	69 Å²	69	124.9 Å²	124.9	57%	0.57	76%	0.756	S	S	*	*			trans	-98.2	9	179.3	0	0	0	0	0	115.2	Y502 G507	Y502-A505 PolarHBondContact O-N 2.8Å; A505-G507 PolarHBondContact O-N 3.32Å
506	G	32.9	Very low	31.8	Very low	60 Å²	60	125.9 Å²	125.9	62%	0.619	75%	0.754	S	S	*	*			trans	-78.5	76.9	175.5	0	0	0	0	0	112.9	F508	G506-F508 PolarHBondContact O-N 3.02Å; G506-F508 VanDerWaalsContact O-N 3.14Å
507	G	30.5	Very low	31.9	Very low	77 Å²	77	130.4 Å²	130.4	79%	0.794	75%	0.749	S	S	*	*			trans	-74.6	92	168.4	0	0	0	0	0	110.7	A505	A505-G507 PolarHBondContact O-N 3.32Å
508	F	30.1	Very low	32.1	Very low	173 Å²	173	132 Å²	132	76%	0.759	75%	0.752	S	S	*	*			trans	-69.1	132.2	169.2	-74.4	-90.8	0	0	0	110.2	G506 V510	G506-F508 PolarHBondContact O-N 3.02Å; G506-F508 VanDerWaalsContact O-N 3.14Å; F508-V510 PolarHBondContact O-N 3.44Å
509	L	29.5	Very low	32	Very low	167 Å²	167	131.4 Å²	131.4	87%	0.874	75%	0.747	S	S	*	*			trans	-53.1	125.9	176.5	-72.1	153.5	0	0	0	110.1
510	V	28.7	Very low	32.2	Very low	126 Å²	126	128.9 Å²	128.9	76%	0.764	74%	0.743	S	S	*	*			trans	-84.6	112	166	178.9	0	0	0	0	105.6	F508	F508-V510 PolarHBondContact O-N 3.44Å
511	E	32.2	Very low	32.7	Very low	180 Å²	180	127.4 Å²	127.4	84%	0.841	74%	0.735	S	S	*	*			trans	-66.7	146.6	172.4	-68.8	-177.4	160.6	0	0	110.5
512	E	33.4	Very low	33	Very low	165 Å²	165	133.3 Å²	133.3	77%	0.771	74%	0.741	S	S	*	*			trans	-72.2	145.8	-167.3	-63.5	179.7	146.9	0	0	112.7	G514	E512-G514 PolarHBondContact O-N 3.48Å; E512-G514 VanDerWaalsContact O-N 3.1Å
513	D	31.3	Very low	33.3	Very low	138 Å²	138	132.5 Å²	132.5	74%	0.738	74%	0.743	S	S	*	*			trans	-60.3	103.1	179.3	-68.6	-73.7	0	0	0	112.3	R612	D513-R612 IonicContact OD1-CZ 2.65Å; D513-R612 IonicContact OD1-NH1 2.99Å; D513-R612 PolarHBondContact OD1-NH1 3.08Å; D513-R612 IonicContact OD1-NH2 2.63Å
514	G	31	Very low	33.5	Very low	66 Å²	66	140 Å²	140	68%	0.68	75%	0.752	S	S	*	*			trans	-104.4	123.1	157.2	0	0	0	0	0	110	E512	E512-G514 PolarHBondContact O-N 3.48Å; E512-G514 VanDerWaalsContact O-N 3.1Å
515	D	35.1	Very low	33.6	Very low	116 Å²	116	134.8 Å²	134.8	62%	0.62	74%	0.743	S	S	*	*			trans	62.7	104.7	169.5	-65.7	-5.4	0	0	0	118.5	R517	D515-R517 PolarHBondContact O-N 2.97Å; D515-R517 IonicContact OD2-CZ 2.62Å; D515-R517 IonicContact OD2-NE 3.73Å; D515-R517 IonicContact OD2-NH2 3.29Å; D515-R517 PolarHBondContact OD2-NH2 2.83Å
516	N	33	Very low	34.3	Very low	147 Å²	147	139.3 Å²	139.3	79%	0.786	75%	0.746	S	S	*	*			trans	-61.4	73.1	152.8	-102.6	-5.9	0	0	0	109.8	R612	N516-R612 PolarHBondContact OD1-NH2 3.28Å
517	R	32.5	Very low	35.1	Very low	195 Å²	195	141.8 Å²	141.8	74%	0.736	75%	0.751	S	S	*	*			trans	-94.1	121.8	156	-79.2	-179.1	-124.9	-155.7	-1.3	107.6	D515 C519	D515-R517 PolarHBondContact O-N 2.97Å; D515-R517 IonicContact OD2-CZ 2.62Å; D515-R517 IonicContact OD2-NE 3.73Å; D515-R517 IonicContact OD2-NH2 3.29Å; D515-R517 PolarHBondContact OD2-NH2 2.83Å; R517-C519 PolarHBondContact O-N 3.47Å
518	P	34.6	Very low	36.4	Very low	122 Å²	122	143.5 Å²	143.5	79%	0.792	74%	0.738	S	S	*	*			trans	-56.8	118.7	168.2	23.1	-29	0	0	0	106.7	S520	P518-S520 PolarHBondContact O-N 3.49Å
519	C	28	Very low	37.9	Very low	108 Å²	108	136.9 Å²	136.9	73%	0.73	71%	0.713	S	S	*	*			trans	-67.9	85.2	175.7	-168.3	0	0	0	0	107.4	R517 S521	R517-C519 PolarHBondContact O-N 3.47Å; C519-S521 PolarHBondContact O-N 2.9Å; C519-S521 PolarHBondContact SG-OG 3.22Å; C519-S521 VanDerWaalsContact SG-OG 3.34Å
520	S	34	Very low	39.6	Very low	110 Å²	110	136.5 Å²	136.5	77%	0.769	71%	0.712	S	S	*	*			trans	-73.7	52.5	161	177.5	0	0	0	0	108.7	P518 R522	P518-S520 PolarHBondContact O-N 3.49Å; S520-R522 PolarHBondContact O-N 3.39Å
521	S	41.1	Very low	41.9	Very low	69 Å²	69	133.2 Å²	133.2	48%	0.483	69%	0.687	S	S	.	*			trans	-70.3	110.5	150.1	52.7	0	0	0	0	103.8	C519 Q523	C519-S521 PolarHBondContact O-N 2.9Å; C519-S521 PolarHBondContact SG-OG 3.22Å; C519-S521 VanDerWaalsContact SG-OG 3.34Å; S521-Q523 PolarHBondContact O-N 2.78Å
522	R	34.4	Very low	43.9	Very low	235 Å²	235	132 Å²	132	89%	0.887	68%	0.682	S	S	*	*			trans	-51.6	91.8	162	-89.6	174.8	169.3	169.9	-5.3	105.7	S520 R524	S520-R522 PolarHBondContact O-N 3.39Å; R522-R524 VanDerWaalsContact C-N 3.26Å; R522-R524 PolarHBondContact O-N 3.4Å
523	Q	41	Very low	45.7	Very low	158 Å²	158	129.6 Å²	129.6	74%	0.738	68%	0.68	S	S	*	*			trans	-59.6	105.2	164	-72.9	-176.8	-4.4	0	0	102.7	S521 S525	S521-Q523 PolarHBondContact O-N 2.78Å; Q523-S525 PolarHBondContact O-N 2.99Å
524	R	38.2	Very low	47.7	Very low	244 Å²	244	125.1 Å²	125.1	92%	0.921	66%	0.656	S	S	*	*			trans	-56.8	96.6	161	-77.3	-178.7	174.9	-179	-2.1	103.8	R522 R526	R522-R524 VanDerWaalsContact C-N 3.26Å; R522-R524 PolarHBondContact O-N 3.4Å; R524-R526 PolarHBondContact O-N 3.43Å
525	S	38.9	Very low	49.5	Very low	106 Å²	106	126.1 Å²	126.1	74%	0.741	65%	0.651	S	S	*	*			trans	-61.5	98.4	170.4	39.5	0	0	0	0	104.7	Q523 P527	Q523-S525 PolarHBondContact O-N 2.99Å; S525-P527 WeakPolarHBondContact O-CD 3.39Å
526	R	50	Low	50.8	Low	163 Å²	163	129 Å²	129	62%	0.615	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-56.8	125.9	164.2	-167.4	176	-175.2	-162	0.4	104.8	R524 Q528 D594	R524-R526 PolarHBondContact O-N 3.43Å; R526-Q528 PolarHBondContact O-N 2.93Å; R526-D594 IonicContact NH1-OD2 2.97Å; R526-D594 PolarHBondContact NH1-OD2 3.19Å
527	P	50.2	Low	51.9	Low	113 Å²	113	125.5 Å²	125.5	73%	0.734	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-47.4	138.3	179.6	-26.4	32.2	0	0	0	109.8	S525	S525-P527 WeakPolarHBondContact O-CD 3.39Å
528	Q	57.1	Low	53.1	Low	113 Å²	113	123.2 Å²	123.2	53%	0.528	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-55.4	134.1	168.6	-69.2	-89.6	1	0	0	106.7	R526 D530 Y602	R526-Q528 PolarHBondContact O-N 2.93Å; Q528-D530 PolarHBondContact O-N 3.23Å; Q528-Y602 PolarHBondContact OE1-OH 2.81Å
529	P	61.9	Low	54.2	Low	34 Å²	34	121.9 Å²	121.9	22%	0.221	64%	0.64	C	S	.	*	P	Polyproline II helix	trans	-60.9	125.9	172	19.9	-23	0	0	0	107.9	F531 P599 Y602	P529-F531 HydrophobicContact CG-CE1 4.1Å; P529-F531 HydrophobicContact CG-CE2 4.45Å; P529-F531 HydrophobicContact CG-CZ 3.89Å; P529-F531 PolarHBondContact O-N 2.88Å; P529-P599 HydrophobicContact CB-CB 4.12Å; P529-P599 HydrophobicContact CB-CG 4.23Å; P529-Y602 HydrophobicContact CG-CE1 4.36Å
530	D	64	Low	56.2	Low	159 Å²	159	121.5 Å²	121.5	85%	0.85	63%	0.631	S	S	*	*			trans	-62.7	101.2	170.4	-70	-31.7	0	0	0	107.1	Q528 E532	Q528-D530 PolarHBondContact O-N 3.23Å; D530-E532 PolarHBondContact O-N 2.81Å
531	F	77.9	Confident	58.4	Low	57 Å²	57	118.3 Å²	118.3	25%	0.25	61%	0.605	C	S	.	*	P	Polyproline II helix	trans	-71.8	127.5	172.1	-60.1	-69.4	0	0	0	107.3	P529 P599 R601 Y602	P529-F531 HydrophobicContact CG-CE1 4.1Å; P529-F531 HydrophobicContact CG-CE2 4.45Å; P529-F531 HydrophobicContact CG-CZ 3.89Å; P529-F531 PolarHBondContact O-N 2.88Å; F531-P599 HydrophobicContact CD1-CG 4.24Å; F531-P599 HydrophobicContact CE1-CB 4.4Å; F531-P599 HydrophobicContact CE1-CG 4.47Å; F531-R601 VanDerWaalsContact CB-NH1 3.32Å; F531-R601 HydrophobicContact CD1-CG 3.63Å; F531-R601 HydrophobicContact CE1-CB 4.24Å; F531-R601 HydrophobicContact CE1-CG 3.83Å; F531-R601 HydrophobicContact CG-CG 4.09Å; F531-R601 HydrophobicContact CZ-CG 4.42Å; F531-Y602 HydrophobicContact CZ-CD1 4.04Å; F531-Y602 AromaticContact CZ-CE1 3.88Å; F531-Y602 HydrophobicContact CZ-CE1 3.88Å
532	E	73.3	Confident	60.5	Low	155 Å²	155	119.2 Å²	119.2	72%	0.724	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-48.7	131.6	170.8	-159.9	162.3	-146.8	0	0	109	D530 L534 R601	D530-E532 PolarHBondContact O-N 2.81Å; E532-L534 PolarHBondContact O-N 2.86Å; E532-R601 PolarHBondContact O-NH2 2.85Å
533	P	72	Confident	63.1	Low	114 Å²	114	108.1 Å²	108.1	74%	0.74	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-52.7	135.7	180	-25	33.7	0	0	0	110.2
534	L	74.1	Confident	65.2	Low	44 Å²	44	106.5 Å²	106.5	23%	0.23	56%	0.558	C	S	.	*	P	Polyproline II helix	trans	-65.3	140.5	169.6	-67.5	171.2	0	0	0	107.5	E532 E536 Y556 G560	E532-L534 PolarHBondContact O-N 2.86Å; L534-E536 PolarHBondContact O-N 3.41Å; L534-E536 VanDerWaalsContact O-N 3.14Å; L534-Y556 WeakPolarHBondContact CD1-O 3.46Å; L534-G560 VanDerWaalsContact CD2-CA 3.46Å
535	P	68.4	Low	67.5	Low	87 Å²	87	97.6 Å²	97.6	57%	0.565	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-55.8	124.3	179.8	20.9	-30.6	0	0	0	110.1	T537 Y556	P535-T537 HydrophobicContact CB-CG2 4.4Å; P535-T537 PolarHBondContact O-N 2.83Å; P535-Y556 PolarHBondContact O-OH 3.25Å
536	E	62.5	Low	69.8	Low	176 Å²	176	94.5 Å²	94.5	82%	0.822	50%	0.504	S	S	*	.			trans	-67.5	84.6	169.7	-67.1	177	179.8	0	0	107.3	L534	L534-E536 PolarHBondContact O-N 3.41Å; L534-E536 VanDerWaalsContact O-N 3.14Å
537	T	57.1	Low	71.5	Confident	74 Å²	74	91.3 Å²	91.3	45%	0.454	51%	0.507	S	S	.	.			trans	-100.9	87	172.2	42	0	0	0	0	107.2	P535 S539 L541	P535-T537 HydrophobicContact CB-CG2 4.4Å; P535-T537 PolarHBondContact O-N 2.83Å; T537-S539 PolarHBondContact O-N 3.5Å; T537-L541 WeakPolarHBondContact OG1-CD2 3.41Å
538	D	57.4	Low	73.2	Confident	146 Å²	146	93 Å²	93	78%	0.781	50%	0.503	S	S	*	.			trans	-74	13.5	-162	-100.5	-6.4	0	0	0	116.3
539	S	57.7	Low	74.4	Confident	95 Å²	95	94.6 Å²	94.6	66%	0.664	51%	0.508	S	S	*	.	S	Bend	trans	-152.8	-18.1	-179	-53.1	0	0	0	0	119.5	T537	T537-S539 PolarHBondContact O-N 3.5Å
540	D	70.2	Confident	75	Confident	100 Å²	100	94.4 Å²	94.4	54%	0.535	51%	0.505	S	S	.	.			trans	-139.6	46.4	-170.1	-68.9	-51.3	0	0	0	114.9	I542 K549	D540-I542 PolarHBondContact O-N 2.9Å; D540-K549 WeakPolarHBondContact OD1-CE 3.31Å; D540-K549 IonicContact OD1-NZ 3.85Å; D540-K549 PolarHBondContact OD1-NZ 2.92Å
541	L	79	Confident	75.2	Confident	42 Å²	42	92.2 Å²	92.2	22%	0.22	50%	0.502	C	S	.	.			trans	-67.2	109.5	169.1	-67.7	172.1	0	0	0	110.1	T537 L550 Y556	T537-L541 WeakPolarHBondContact OG1-CD2 3.41Å; L541-L550 HydrophobicContact CB-CB 4.25Å; L541-L550 HydrophobicContact CB-CD1 3.75Å; L541-L550 PolarHBondContact O-N 2.94Å; L541-Y556 HydrophobicContact CD1-CD1 3.42Å; L541-Y556 VanDerWaalsContact CD1-CD1 3.42Å; L541-Y556 HydrophobicContact CD1-CD2 4.3Å; L541-Y556 HydrophobicContact CD1-CE1 3.42Å; L541-Y556 VanDerWaalsContact CD1-CE1 3.42Å; L541-Y556 HydrophobicContact CD1-CE2 4.29Å; L541-Y556 HydrophobicContact CD1-CG 3.89Å; L541-Y556 HydrophobicContact CD2-CD1 4.5Å; L541-Y556 HydrophobicContact CD2-CD2 4.09Å; L541-Y556 HydrophobicContact CD2-CE1 4.07Å; L541-Y556 HydrophobicContact CD2-CE2 3.6Å; L541-Y556 HydrophobicContact CG-CE1 4.39Å
542	I	85.4	Confident	74.6	Confident	89 Å²	89	91.9 Å²	91.9	46%	0.456	51%	0.505	S	S	.	.	B	Isolated β-bridge	trans	-99.4	134.4	178.1	-65.4	168.2	0	0	0	109.6	D540 L544 S547 C562	D540-I542 PolarHBondContact O-N 2.9Å; I542-L544 PolarHBondContact O-N 3.42Å; I542-S547 WeakPolarHBondContact CG2-O 3.41Å; I542-C562 WeakPolarHBondContact O-CB 3.27Å
543	C	88.2	Confident	74.4	Confident	1 Å²	1	86.9 Å²	86.9	1%	0.007	49%	0.49	C	S	.	.			trans	-66.2	126.4	176	177.7	0	0	0	0	111.2	E545 C546 S547 K548 L550 C562 C564	C543-E545 PolarHBondContact O-N 3.43Å; C543-E545 PolarHBondContact SG-N 2.8Å; C543-C546 VanDerWaalsContact CB-SG 3.58Å; C543-C546 PolarHBondContact O-N 2.85Å; C543-C546 VanDerWaalsContact SG-SG 3.67Å; C543-S547 VanDerWaalsContact O-CA 3.29Å; C543-S547 WeakPolarHBondContact O-CA 3.46Å; C543-S547 PolarHBondContact O-N 2.86Å; C543-K548 PolarHBondContact N-O 3.37Å; C543-L550 HydrophobicContact CB-CG 4.33Å; C543-C562 CarbonylContact C-O 3.57Å; C543-C562 VanDerWaalsContact CA-O 3.31Å; C543-C562 WeakPolarHBondContact CA-O 3.36Å; C543-C564 HydrophobicContact CB-CB 4.37Å; C543-C564 PolarHBondContact SG-N 2.87Å; C543-C564 VanDerWaalsContact SG-N 3.41Å; C543-C564 VanDerWaalsContact SG-SG 3.68Å
544	L	85.6	Confident	74.9	Confident	125 Å²	125	84.8 Å²	84.8	65%	0.654	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-16.7	177.4	-66.3	172.6	0	0	0	114.7	I542 C562 V563	I542-L544 PolarHBondContact O-N 3.42Å; L544-C562 HydrophobicContact CG-CB 4.18Å; L544-C562 PolarHBondContact N-O 3.46Å; L544-V563 HydrophobicContact CB-CG2 4.42Å; L544-V563 HydrophobicContact CD1-CG2 4.49Å
545	E	86.7	Confident	75.5	Confident	56 Å²	56	82.7 Å²	82.7	26%	0.262	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-33.1	-171.6	-68.7	-76.6	-155	0	0	113.9	C543 V563 C567 K571 K573 Y574	C543-E545 PolarHBondContact O-N 3.43Å; C543-E545 PolarHBondContact SG-N 2.8Å; E545-V563 HydrophobicContact CG-CG1 4.38Å; E545-V563 HydrophobicContact CG-CG2 4.45Å; E545-C567 HydrophobicContact CB-CB 3.67Å; E545-C567 HydrophobicContact CG-CB 4.19Å; E545-K571 IonicContact OE1-NZ 3.34Å; E545-K571 PolarHBondContact OE1-NZ 2.87Å; E545-K571 IonicContact OE2-NZ 3.46Å; E545-K571 PolarHBondContact OE2-NZ 3.34Å; E545-K573 WeakPolarHBondContact OE1-CE 3.36Å; E545-K573 IonicContact OE1-NZ 3.85Å; E545-K573 PolarHBondContact OE1-NZ 3.31Å; E545-Y574 HydrophobicContact CG-CE2 4.07Å; E545-Y574 WeakPolarHBondContact OE1-CE2 3.42Å; E545-Y574 PolarHBondContact OE1-OH 2.8Å; E545-Y574 VanDerWaalsContact OE1-OH 3.05Å
546	C	88.4	Confident	76.3	Confident	41 Å²	41	80 Å²	80	28%	0.277	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-1.3	-178.5	63.2	0	0	0	0	113.8	C543 K548 C567	C543-C546 VanDerWaalsContact CB-SG 3.58Å; C543-C546 PolarHBondContact O-N 2.85Å; C543-C546 VanDerWaalsContact SG-SG 3.67Å; C546-K548 HydrophobicContact CB-CG 4.3Å; C546-K548 PolarHBondContact O-N 2.87Å; C546-C567 VanDerWaalsContact CB-SG 3.59Å
547	S	84.3	Confident	77.3	Confident	96 Å²	96	75.2 Å²	75.2	67%	0.671	42%	0.424	S	S	*	.			trans	54.9	19.5	-177.3	-54	0	0	0	0	115	I542 C543	I542-S547 WeakPolarHBondContact CG2-O 3.41Å; C543-S547 VanDerWaalsContact O-CA 3.29Å; C543-S547 WeakPolarHBondContact O-CA 3.46Å; C543-S547 PolarHBondContact O-N 2.86Å
548	K	85.7	Confident	78.6	Confident	149 Å²	149	74.5 Å²	74.5	65%	0.648	42%	0.416	S	S	*	.			trans	-89.6	151.6	173.8	-59.4	-178.9	-174.8	-177.7	0	110.5	C543 C546 L550	C543-K548 PolarHBondContact N-O 3.37Å; C546-K548 HydrophobicContact CB-CG 4.3Å; C546-K548 PolarHBondContact O-N 2.87Å; K548-L550 PolarHBondContact O-N 3.16Å
549	K	82.4	Confident	80.2	Confident	146 Å²	146	67.6 Å²	67.6	64%	0.635	38%	0.379	S	S	*	.	B	Isolated β-bridge	trans	-55.2	132.9	169.4	-65.8	-167.7	173.1	-149.2	0	110.1	D540 S551	D540-K549 WeakPolarHBondContact OD1-CE 3.31Å; D540-K549 IonicContact OD1-NZ 3.85Å; D540-K549 PolarHBondContact OD1-NZ 2.92Å; K549-S551 PolarHBondContact O-N 3.47Å
550	L	76.1	Confident	81.6	Confident	30 Å²	30	64.5 Å²	64.5	16%	0.157	36%	0.362	C	S	.	.			trans	-71.2	108.2	180	-88.9	133.8	0	0	0	110.4	L541 C543 K548 T552 C562 V563 C564	L541-L550 HydrophobicContact CB-CB 4.25Å; L541-L550 HydrophobicContact CB-CD1 3.75Å; L541-L550 PolarHBondContact O-N 2.94Å; C543-L550 HydrophobicContact CB-CG 4.33Å; K548-L550 PolarHBondContact O-N 3.16Å; L550-T552 VanDerWaalsContact C-N 3.31Å; L550-T552 VanDerWaalsContact CD2-O 3.26Å; L550-T552 WeakPolarHBondContact CD2-O 3.48Å; L550-C562 HydrophobicContact CD1-CB 3.75Å; L550-V563 VanDerWaalsContact CD2-C 3.5Å; L550-C564 HydrophobicContact CD2-CB 4.22Å
551	S	67.2	Low	82.4	Confident	113 Å²	113	60.6 Å²	60.6	79%	0.79	34%	0.342	S	S	*	.	S	Bend	trans	-72.1	-27.2	171.2	62.3	0	0	0	0	112.6	K549	K549-S551 PolarHBondContact O-N 3.47Å
552	T	64.4	Low	82.8	Confident	50 Å²	50	59.8 Å²	59.8	31%	0.307	34%	0.34	S	S	.	.			trans	-127.6	129.3	-179.2	57.2	0	0	0	0	111.1	L550 D565	L550-T552 VanDerWaalsContact C-N 3.31Å; L550-T552 VanDerWaalsContact CD2-O 3.26Å; L550-T552 WeakPolarHBondContact CD2-O 3.48Å; T552-D565 VanDerWaalsContact CB-OD2 3.24Å; T552-D565 WeakPolarHBondContact CB-OD2 3.21Å; T552-D565 WeakPolarHBondContact CG2-OD2 3.46Å; T552-D565 VanDerWaalsContact OG1-CG 3.31Å; T552-D565 PolarHBondContact OG1-OD2 2.78Å
553	A	69	Low	83	Confident	51 Å²	51	55.6 Å²	55.6	42%	0.421	32%	0.318	S	S	.	.			trans	-94.6	10.5	-175.6	0	0	0	0	0	113.5	L555 Y556 S557	A553-L555 PolarHBondContact O-N 3.02Å; A553-Y556 CarbonylContact O-C 3.58Å; A553-Y556 PolarHBondContact O-N 3.24Å; A553-S557 WeakPolarHBondContact O-CA 3.49Å; A553-S557 WeakPolarHBondContact O-CB 3.28Å; A553-S557 PolarHBondContact O-N 3.31Å
554	F	84.1	Confident	82.9	Confident	69 Å²	69	55.9 Å²	55.9	30%	0.303	32%	0.32	S	S	.	.	H	α-helix	trans	-56.1	-50.2	-167.8	174.5	-95.2	0	0	0	113.8	Y556 M558 F559 R568 L603	F554-Y556 VanDerWaalsContact C-N 3.34Å; F554-M558 WeakPolarHBondContact O-CB 3.18Å; F554-M558 PolarHBondContact O-N 3.46Å; F554-F559 HydrophobicContact CE1-CE2 4.37Å; F554-R568 VanDerWaalsContact CD1-NH1 3.3Å; F554-L603 HydrophobicContact CZ-CD2 4.12Å
555	L	85.3	Confident	82.8	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-70.4	-32.4	177.9	-78.1	-178.7	0	0	0	112.4	A553 F559 G560 C561 V563 R568 L620	A553-L555 PolarHBondContact O-N 3.02Å; L555-F559 HydrophobicContact CD2-CD2 3.8Å; L555-F559 HydrophobicContact CD2-CE2 4.21Å; L555-F559 CarbonylContact O-C 3.55Å; L555-F559 WeakPolarHBondContact O-CA 3.4Å; L555-F559 WeakPolarHBondContact O-CB 3.41Å; L555-F559 PolarHBondContact O-N 2.93Å; L555-G560 PolarHBondContact O-N 3.48Å; L555-C561 CarbonylContact C-O 3.57Å; L555-C561 VanDerWaalsContact C-O 3.27Å; L555-C561 HydrophobicContact CB-CB 4.33Å; L555-C561 WeakPolarHBondContact CB-O 3.16Å; L555-C561 PolarHBondContact O-N 2.87Å; L555-C561 VanDerWaalsContact O-N 3.15Å; L555-V563 HydrophobicContact CD1-CB 3.97Å; L555-V563 HydrophobicContact CD1-CG1 4.34Å; L555-R568 HydrophobicContact CD1-CB 4.26Å; L555-R568 HydrophobicContact CD1-CG 3.99Å; L555-L620 HydrophobicContact CD2-CD1 4.03Å
556	Y	85.7	Confident	82.7	Confident	29 Å²	29	54.9 Å²	54.9	11%	0.114	33%	0.325	C	S	.	.	H	α-helix	trans	-68.9	-60.2	175.7	-176.3	-103.8	0	0	0	110.8	L534 P535 L541 A553 F554 M558 F559 G560 C561 C562	L534-Y556 WeakPolarHBondContact CD1-O 3.46Å; P535-Y556 PolarHBondContact O-OH 3.25Å; L541-Y556 HydrophobicContact CD1-CD1 3.42Å; L541-Y556 VanDerWaalsContact CD1-CD1 3.42Å; L541-Y556 HydrophobicContact CD1-CD2 4.3Å; L541-Y556 HydrophobicContact CD1-CE1 3.42Å; L541-Y556 VanDerWaalsContact CD1-CE1 3.42Å; L541-Y556 HydrophobicContact CD1-CE2 4.29Å; L541-Y556 HydrophobicContact CD1-CG 3.89Å; L541-Y556 HydrophobicContact CD2-CD1 4.5Å; L541-Y556 HydrophobicContact CD2-CD2 4.09Å; L541-Y556 HydrophobicContact CD2-CE1 4.07Å; L541-Y556 HydrophobicContact CD2-CE2 3.6Å; L541-Y556 HydrophobicContact CG-CE1 4.39Å; A553-Y556 CarbonylContact O-C 3.58Å; A553-Y556 PolarHBondContact O-N 3.24Å; F554-Y556 VanDerWaalsContact C-N 3.34Å; Y556-M558 VanDerWaalsContact C-N 3.28Å; Y556-M558 PolarHBondContact O-N 2.84Å; Y556-F559 PolarHBondContact O-N 2.84Å; Y556-G560 WeakPolarHBondContact O-CA 3.28Å; Y556-G560 PolarHBondContact O-N 3.25Å; Y556-C561 WeakPolarHBondContact CA-O 3.33Å; Y556-C561 PolarHBondContact N-O 2.83Å; Y556-C561 VanDerWaalsContact N-O 3.1Å; Y556-C562 WeakPolarHBondContact CD2-SG 3.41Å
557	S	82.5	Confident	82.6	Confident	77 Å²	77	54.1 Å²	54.1	54%	0.538	32%	0.32	S	S	.	.	H	α-helix	trans	-48.6	-43.6	175.5	174.4	0	0	0	0	113.4	A553	A553-S557 WeakPolarHBondContact O-CA 3.49Å; A553-S557 WeakPolarHBondContact O-CB 3.28Å; A553-S557 PolarHBondContact O-N 3.31Å
558	M	85.2	Confident	82.7	Confident	58 Å²	58	52.6 Å²	52.6	29%	0.286	30%	0.299	S	S	.	.	H	α-helix	trans	-90.3	-35.2	-174.6	-167	61.3	49.7	0	0	113.8	F554 Y556 R601 L603	F554-M558 WeakPolarHBondContact O-CB 3.18Å; F554-M558 PolarHBondContact O-N 3.46Å; Y556-M558 VanDerWaalsContact C-N 3.28Å; Y556-M558 PolarHBondContact O-N 2.84Å; M558-R601 WeakPolarHBondContact O-CB 3.49Å; M558-R601 WeakPolarHBondContact O-CD 3.3Å; M558-L603 HydrophobicContact CE-CD1 3.77Å; M558-L603 HydrophobicContact CG-CB 4.17Å; M558-L603 HydrophobicContact CG-CD1 4.3Å; M558-L603 HydrophobicContact SD-CB 4.24Å; M558-L603 HydrophobicContact SD-CD1 3.8Å
559	F	91	Very high	82.6	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.009	30%	0.298	C	S	.	.	H	α-helix	trans	-127.2	-6.4	-170.4	-58.1	-80.9	0	0	0	114.6	F554 L555 Y556 C561 L576 R601 L603 L620 Q623	F554-F559 HydrophobicContact CE1-CE2 4.37Å; L555-F559 HydrophobicContact CD2-CD2 3.8Å; L555-F559 HydrophobicContact CD2-CE2 4.21Å; L555-F559 CarbonylContact O-C 3.55Å; L555-F559 WeakPolarHBondContact O-CA 3.4Å; L555-F559 WeakPolarHBondContact O-CB 3.41Å; L555-F559 PolarHBondContact O-N 2.93Å; Y556-F559 PolarHBondContact O-N 2.84Å; F559-C561 VanDerWaalsContact C-N 3.32Å; F559-L576 HydrophobicContact CE1-CD2 4.31Å; F559-L576 HydrophobicContact CE2-CD2 3.63Å; F559-L576 HydrophobicContact CZ-CD1 4.47Å; F559-L576 HydrophobicContact CZ-CD2 3.5Å; F559-L576 VanDerWaalsContact CZ-CD2 3.5Å; F559-R601 HydrophobicContact CD1-CB 4.11Å; F559-L603 HydrophobicContact CZ-CB 4.14Å; F559-L620 HydrophobicContact CB-CB 4.47Å; F559-L620 HydrophobicContact CB-CD2 4.13Å; F559-L620 HydrophobicContact CD1-CB 3.83Å; F559-L620 HydrophobicContact CE1-CB 4.19Å; F559-L620 HydrophobicContact CG-CB 4.05Å; F559-L620 HydrophobicContact CG-CD2 4.46Å; F559-Q623 PolarHBondContact O-NE2 3.14Å
560	G	87.2	Confident	82.5	Confident	29 Å²	29	46 Å²	46	30%	0.299	31%	0.308	S	S	.	.	S	Bend	trans	75.4	16.1	-173	0	0	0	0	0	114.2	L534 L555 Y556	L534-G560 VanDerWaalsContact CD2-CA 3.46Å; L555-G560 PolarHBondContact O-N 3.48Å; Y556-G560 WeakPolarHBondContact O-CA 3.28Å; Y556-G560 PolarHBondContact O-N 3.25Å
561	C	87.3	Confident	83	Confident	19 Å²	19	48.5 Å²	48.5	13%	0.128	32%	0.318	C	S	.	.			trans	-102	114.4	-175.5	-171.4	0	0	0	0	111.7	L555 Y556 F559 V563 L620	L555-C561 CarbonylContact C-O 3.57Å; L555-C561 VanDerWaalsContact C-O 3.27Å; L555-C561 HydrophobicContact CB-CB 4.33Å; L555-C561 WeakPolarHBondContact CB-O 3.16Å; L555-C561 PolarHBondContact O-N 2.87Å; L555-C561 VanDerWaalsContact O-N 3.15Å; Y556-C561 WeakPolarHBondContact CA-O 3.33Å; Y556-C561 PolarHBondContact N-O 2.83Å; Y556-C561 VanDerWaalsContact N-O 3.1Å; F559-C561 VanDerWaalsContact C-N 3.32Å; C561-V563 VanDerWaalsContact C-N 3.31Å; C561-V563 PolarHBondContact O-N 2.99Å; C561-L620 HydrophobicContact CB-CD2 3.93Å
562	C	87.8	Confident	84.1	Confident	25 Å²	25	47 Å²	47	17%	0.169	30%	0.298	C	S	.	.			trans	-75.5	72.1	-179.2	-59.3	0	0	0	0	112.3	I542 C543 L544 L550 Y556	I542-C562 WeakPolarHBondContact O-CB 3.27Å; C543-C562 CarbonylContact C-O 3.57Å; C543-C562 VanDerWaalsContact CA-O 3.31Å; C543-C562 WeakPolarHBondContact CA-O 3.36Å; L544-C562 HydrophobicContact CG-CB 4.18Å; L544-C562 PolarHBondContact N-O 3.46Å; L550-C562 HydrophobicContact CD1-CB 3.75Å; Y556-C562 WeakPolarHBondContact CD2-SG 3.41Å
563	V	87.8	Confident	85.2	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	30%	0.301	C	S	.	.			trans	-134.7	125.5	178.3	179.6	0	0	0	0	111	L544 E545 L550 L555 C561 C567 R568 Y574	L544-V563 HydrophobicContact CB-CG2 4.42Å; L544-V563 HydrophobicContact CD1-CG2 4.49Å; E545-V563 HydrophobicContact CG-CG1 4.38Å; E545-V563 HydrophobicContact CG-CG2 4.45Å; L550-V563 VanDerWaalsContact CD2-C 3.5Å; L555-V563 HydrophobicContact CD1-CB 3.97Å; L555-V563 HydrophobicContact CD1-CG1 4.34Å; C561-V563 VanDerWaalsContact C-N 3.31Å; C561-V563 PolarHBondContact O-N 2.99Å; V563-C567 HydrophobicContact CG1-CB 3.95Å; V563-R568 HydrophobicContact CG1-CB 4.3Å; V563-Y574 HydrophobicContact CB-CE1 4.48Å; V563-Y574 HydrophobicContact CG1-CD2 4.09Å; V563-Y574 HydrophobicContact CG1-CE2 3.86Å; V563-Y574 HydrophobicContact CG2-CD1 4.4Å; V563-Y574 HydrophobicContact CG2-CE1 3.69Å; V563-Y574 HydrophobicContact CG2-CE2 4.11Å
564	C	86.4	Confident	86.3	Confident	7 Å²	7	46.9 Å²	46.9	5%	0.047	28%	0.283	C	S	.	.			trans	-73.3	157.8	179.4	67.3	0	0	0	0	111.8	C543 L550 S566 C567 R568	C543-C564 HydrophobicContact CB-CB 4.37Å; C543-C564 PolarHBondContact SG-N 2.87Å; C543-C564 VanDerWaalsContact SG-N 3.41Å; C543-C564 VanDerWaalsContact SG-SG 3.68Å; L550-C564 HydrophobicContact CD2-CB 4.22Å; C564-S566 PolarHBondContact O-N 3.03Å; C564-S566 PolarHBondContact SG-OG 3.26Å; C564-C567 PolarHBondContact O-N 2.89Å; C564-R568 WeakPolarHBondContact O-CB 3.19Å; C564-R568 PolarHBondContact O-N 3.46Å
565	D	84.3	Confident	86.7	Confident	66 Å²	66	48.5 Å²	48.5	35%	0.353	29%	0.29	S	S	.	.	H	α-helix	trans	-61.4	-30.6	-176.2	-72.6	-45.6	0	0	0	113.5	T552 A569	T552-D565 VanDerWaalsContact CB-OD2 3.24Å; T552-D565 WeakPolarHBondContact CB-OD2 3.21Å; T552-D565 WeakPolarHBondContact CG2-OD2 3.46Å; T552-D565 VanDerWaalsContact OG1-CG 3.31Å; T552-D565 PolarHBondContact OG1-OD2 2.78Å; D565-A569 PolarHBondContact O-N 3.01Å
566	S	84.4	Confident	87.1	Confident	94 Å²	94	50.4 Å²	50.4	66%	0.657	30%	0.3	S	S	*	.	H	α-helix	trans	-69.3	-43.5	176.2	49.4	0	0	0	0	112.4	C564 R568 A569	C564-S566 PolarHBondContact O-N 3.03Å; C564-S566 PolarHBondContact SG-OG 3.26Å; S566-R568 VanDerWaalsContact C-N 3.32Å; S566-A569 PolarHBondContact O-N 3.32Å
567	C	87.3	Confident	87.5	Confident	25 Å²	25	50 Å²	50	17%	0.169	30%	0.3	C	S	.	.	H	α-helix	trans	-72.8	-26	175.7	-71.2	0	0	0	0	113.2	E545 C546 V563 C564	E545-C567 HydrophobicContact CB-CB 3.67Å; E545-C567 HydrophobicContact CG-CB 4.19Å; C546-C567 VanDerWaalsContact CB-SG 3.59Å; V563-C567 HydrophobicContact CG1-CB 3.95Å; C564-C567 PolarHBondContact O-N 2.89Å
568	R	86.3	Confident	88.1	Confident	63 Å²	63	47.5 Å²	47.5	24%	0.238	28%	0.281	C	S	.	.	H	α-helix	trans	-67.1	-38.6	173.9	179.3	-173	179	-170.5	-1.4	111.8	F554 L555 V563 C564 S566 G570 K571	F554-R568 VanDerWaalsContact CD1-NH1 3.3Å; L555-R568 HydrophobicContact CD1-CB 4.26Å; L555-R568 HydrophobicContact CD1-CG 3.99Å; V563-R568 HydrophobicContact CG1-CB 4.3Å; C564-R568 WeakPolarHBondContact O-CB 3.19Å; C564-R568 PolarHBondContact O-N 3.46Å; S566-R568 VanDerWaalsContact C-N 3.32Å; R568-G570 PolarHBondContact O-N 3.35Å; R568-K571 PolarHBondContact O-N 2.85Å
569	A	83.1	Confident	88.5	Confident	76 Å²	76	46.9 Å²	46.9	63%	0.628	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	122.8	-177	0	0	0	0	0	111	D565 S566 K571	D565-A569 PolarHBondContact O-N 3.01Å; S566-A569 PolarHBondContact O-N 3.32Å; A569-K571 PolarHBondContact O-N 3.43Å
570	G	80.4	Confident	88.5	Confident	82 Å²	82	51.9 Å²	51.9	85%	0.845	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-17.2	175.1	0	0	0	0	0	116.5	R568	R568-G570 PolarHBondContact O-N 3.35Å
571	K	86.7	Confident	88.9	Confident	82 Å²	82	54 Å²	54	36%	0.357	31%	0.309	S	S	.	.			trans	-85.9	125.4	177.6	-67.6	-167.5	-177	-163.5	0	111.9	E545 R568 A569 K573 Y574	E545-K571 IonicContact OE1-NZ 3.34Å; E545-K571 PolarHBondContact OE1-NZ 2.87Å; E545-K571 IonicContact OE2-NZ 3.46Å; E545-K571 PolarHBondContact OE2-NZ 3.34Å; R568-K571 PolarHBondContact O-N 2.85Å; A569-K571 PolarHBondContact O-N 3.43Å; K571-K573 VanDerWaalsContact C-N 3.35Å; K571-K573 HydrophobicContact CB-CG 4.43Å; K571-K573 PolarHBondContact O-N 2.77Å; K571-Y574 HydrophobicContact CB-CD2 3.91Å; K571-Y574 HydrophobicContact CB-CE2 4.42Å; K571-Y574 HydrophobicContact CD-CD2 4.36Å; K571-Y574 HydrophobicContact CD-CE2 4.07Å; K571-Y574 PolarHBondContact O-N 3.44Å
572	E	88.8	Confident	89.2	Confident	81 Å²	81	53.1 Å²	53.1	38%	0.379	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-62.9	-38.9	-176.7	-168.8	60.4	-143.7	0	0	112.7	Y574 K575 R621	E572-Y574 PolarHBondContact O-N 3.04Å; E572-Y574 VanDerWaalsContact O-N 3.07Å; E572-K575 WeakPolarHBondContact O-CB 3.34Å; E572-K575 PolarHBondContact O-N 2.94Å; E572-K575 WeakPolarHBondContact OE1-CD 3.48Å; E572-K575 IonicContact OE1-NZ 3.7Å; E572-K575 WeakPolarHBondContact OE2-CD 3.26Å; E572-K575 WeakPolarHBondContact OE2-CE 3.26Å; E572-K575 IonicContact OE2-NZ 2.84Å; E572-K575 PolarHBondContact OE2-NZ 2.83Å; E572-R621 VanDerWaalsContact CD-NH1 3.27Å; E572-R621 WeakPolarHBondContact O-CD 3.17Å; E572-R621 IonicContact OE1-CZ 2.99Å; E572-R621 IonicContact OE1-NH1 3.52Å; E572-R621 PolarHBondContact OE1-NH1 3.04Å
573	K	88.4	Confident	89.5	Confident	86 Å²	86	55.2 Å²	55.2	37%	0.374	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-58.4	-23.5	-178.6	62.6	173	171.8	166.6	0	114.8	E545 K571 A622	E545-K573 WeakPolarHBondContact OE1-CE 3.36Å; E545-K573 IonicContact OE1-NZ 3.85Å; E545-K573 PolarHBondContact OE1-NZ 3.31Å; K571-K573 VanDerWaalsContact C-N 3.35Å; K571-K573 HydrophobicContact CB-CG 4.43Å; K571-K573 PolarHBondContact O-N 2.77Å; K573-A622 WeakPolarHBondContact O-CB 3.42Å; K573-A622 PolarHBondContact O-N 3.38Å
574	Y	91.2	Very high	89.8	Confident	12 Å²	12	58.1 Å²	58.1	5%	0.047	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-101.8	10.2	179.9	-55.4	-55.7	0	0	0	114.1	E545 V563 K571 E572	E545-Y574 HydrophobicContact CG-CE2 4.07Å; E545-Y574 WeakPolarHBondContact OE1-CE2 3.42Å; E545-Y574 PolarHBondContact OE1-OH 2.8Å; E545-Y574 VanDerWaalsContact OE1-OH 3.05Å; V563-Y574 HydrophobicContact CB-CE1 4.48Å; V563-Y574 HydrophobicContact CG1-CD2 4.09Å; V563-Y574 HydrophobicContact CG1-CE2 3.86Å; V563-Y574 HydrophobicContact CG2-CD1 4.4Å; V563-Y574 HydrophobicContact CG2-CE1 3.69Å; V563-Y574 HydrophobicContact CG2-CE2 4.11Å; K571-Y574 HydrophobicContact CB-CD2 3.91Å; K571-Y574 HydrophobicContact CB-CE2 4.42Å; K571-Y574 HydrophobicContact CD-CD2 4.36Å; K571-Y574 HydrophobicContact CD-CE2 4.07Å; K571-Y574 PolarHBondContact O-N 3.44Å; E572-Y574 PolarHBondContact O-N 3.04Å; E572-Y574 VanDerWaalsContact O-N 3.07Å
575	K	92.9	Very high	90	Very high	104 Å²	104	62.5 Å²	62.5	45%	0.452	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-72.1	150.3	171.4	-69.9	-165.1	-170.8	161.2	0	110.9	E572 R621	E572-K575 WeakPolarHBondContact O-CB 3.34Å; E572-K575 PolarHBondContact O-N 2.94Å; E572-K575 WeakPolarHBondContact OE1-CD 3.48Å; E572-K575 IonicContact OE1-NZ 3.7Å; E572-K575 WeakPolarHBondContact OE2-CD 3.26Å; E572-K575 WeakPolarHBondContact OE2-CE 3.26Å; E572-K575 IonicContact OE2-NZ 2.84Å; E572-K575 PolarHBondContact OE2-NZ 2.83Å; K575-R621 WeakPolarHBondContact O-CB 3.24Å; K575-R621 PolarHBondContact O-N 3.18Å
576	L	94.1	Very high	90.5	Very high	41 Å²	41	60.2 Å²	60.2	22%	0.215	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.6	175.2	-60.1	-178.1	0	0	0	109.3	F559 L603 L618 Y619 L620	F559-L576 HydrophobicContact CE1-CD2 4.31Å; F559-L576 HydrophobicContact CE2-CD2 3.63Å; F559-L576 HydrophobicContact CZ-CD1 4.47Å; F559-L576 HydrophobicContact CZ-CD2 3.5Å; F559-L576 VanDerWaalsContact CZ-CD2 3.5Å; L576-L603 HydrophobicContact CD1-CD2 4.31Å; L576-L618 HydrophobicContact CB-CB 4.27Å; L576-L618 HydrophobicContact CD1-CB 4.44Å; L576-L618 HydrophobicContact CD1-CD1 4.42Å; L576-Y619 CarbonylContact C-O 3.51Å; L576-Y619 VanDerWaalsContact CA-O 3.25Å; L576-Y619 WeakPolarHBondContact CA-O 3.43Å; L576-L620 HydrophobicContact CD2-CB 4.48Å; L576-L620 HydrophobicContact CD2-CD1 4.12Å
577	L	94.2	Very high	90.9	Very high	19 Å²	19	56.7 Å²	56.7	10%	0.099	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	141.4	177	-65.8	175.4	0	0	0	110.2	E581 Y586 L618 Y619 R621 V624	L577-E581 HydrophobicContact CB-CB 4.41Å; L577-E581 HydrophobicContact CD2-CB 4.38Å; L577-Y586 HydrophobicContact CD1-CD2 4.48Å; L577-Y586 HydrophobicContact CD1-CE2 3.6Å; L577-L618 CarbonylContact O-C 3.56Å; L577-L618 WeakPolarHBondContact O-CA 3.29Å; L577-Y619 PolarHBondContact N-O 3.03Å; L577-Y619 PolarHBondContact O-N 2.92Å; L577-R621 HydrophobicContact CD1-CB 3.91Å; L577-R621 HydrophobicContact CD1-CG 3.82Å; L577-R621 HydrophobicContact CG-CB 4.04Å; L577-R621 HydrophobicContact CG-CG 4.33Å; L577-V624 HydrophobicContact CD1-CG1 4.45Å
578	T	94.6	Very high	91.2	Very high	25 Å²	25	55.7 Å²	55.7	15%	0.153	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	154	169.8	64.9	0	0	0	0	110.7	T580 E581 A582 M616 L618	T578-T580 PolarHBondContact O-N 3.29Å; T578-T580 VanDerWaalsContact O-N 3.16Å; T578-E581 PolarHBondContact N-OE2 2.62Å; T578-E581 PolarHBondContact O-N 3.17Å; T578-E581 WeakPolarHBondContact OG1-CB 3.36Å; T578-E581 VanDerWaalsContact OG1-CD 3.26Å; T578-E581 VanDerWaalsContact OG1-CG 3.23Å; T578-E581 WeakPolarHBondContact OG1-CG 3.42Å; T578-E581 PolarHBondContact OG1-N 3.12Å; T578-E581 VanDerWaalsContact OG1-N 3.17Å; T578-E581 PolarHBondContact OG1-OE2 3.4Å; T578-A582 PolarHBondContact O-N 2.96Å; T578-M616 HydrophobicContact CG2-CE 4.29Å; T578-M616 HydrophobicContact CG2-CG 4.23Å; T578-M616 HydrophobicContact CG2-SD 3.45Å; T578-M616 WeakPolarHBondContact CG2-SD 3.48Å; T578-L618 HydrophobicContact CG2-CD2 3.82Å
579	R	93.4	Very high	91.5	Very high	46 Å²	46	59.6 Å²	59.6	17%	0.174	32%	0.321	C	S	.	.	H	α-helix	trans	-50.3	-40.3	172	-168.3	179	-178.4	100.3	-9.1	112.5	A582 K583 D590 L593 D594 K617 Y619	R579-A582 PolarHBondContact O-N 2.79Å; R579-K583 HydrophobicContact CG-CD 4.33Å; R579-K583 WeakPolarHBondContact O-CG 3.41Å; R579-K583 PolarHBondContact O-N 2.98Å; R579-K583 VanDerWaalsContact O-N 3.09Å; R579-D590 IonicContact CZ-OD1 3.02Å; R579-D590 IonicContact NE-OD1 3.31Å; R579-D590 PolarHBondContact NE-OD1 3.28Å; R579-D590 IonicContact NH2-OD1 2.9Å; R579-D590 PolarHBondContact NH2-OD1 3.2Å; R579-L593 HydrophobicContact CG-CD1 3.93Å; R579-D594 IonicContact CZ-OD1 3.23Å; R579-D594 IonicContact CZ-OD2 3.57Å; R579-D594 IonicContact NH1-OD1 3.53Å; R579-D594 PolarHBondContact NH1-OD1 3.2Å; R579-D594 IonicContact NH1-OD2 3.59Å; R579-D594 PolarHBondContact NH1-OD2 3.28Å; R579-D594 IonicContact NH2-OD1 2.88Å; R579-D594 IonicContact NH2-OD2 3.13Å; R579-D594 PolarHBondContact NH2-OD2 2.96Å; R579-K617 HydrophobicContact CB-CB 4.41Å; R579-K617 PolarHBondContact N-O 2.92Å; R579-Y619 HydrophobicContact CB-CE2 3.87Å; R579-Y619 HydrophobicContact CG-CE2 4Å; R579-Y619 PolarHBondContact NH1-OH 3.16Å
580	T	92.9	Very high	91.9	Very high	107 Å²	107	59.2 Å²	59.2	66%	0.656	31%	0.308	S	S	*	.	H	α-helix	trans	-63.3	-46.3	178.8	-54.6	0	0	0	0	111.3	T578 K583 S584	T578-T580 PolarHBondContact O-N 3.29Å; T578-T580 VanDerWaalsContact O-N 3.16Å; T580-K583 PolarHBondContact O-N 3.25Å; T580-S584 WeakPolarHBondContact O-CB 3.47Å; T580-S584 PolarHBondContact O-N 2.77Å; T580-S584 PolarHBondContact O-OG 2.88Å; T580-S584 VanDerWaalsContact O-OG 3.08Å
581	E	93.9	Very high	92.4	Very high	74 Å²	74	58.4 Å²	58.4	35%	0.346	29%	0.289	S	S	.	.	H	α-helix	trans	-63.6	-42.9	177.4	-73.6	161.7	159.5	0	0	111.6	L577 T578 K583 S584 H585	L577-E581 HydrophobicContact CB-CB 4.41Å; L577-E581 HydrophobicContact CD2-CB 4.38Å; T578-E581 PolarHBondContact N-OE2 2.62Å; T578-E581 PolarHBondContact O-N 3.17Å; T578-E581 WeakPolarHBondContact OG1-CB 3.36Å; T578-E581 VanDerWaalsContact OG1-CD 3.26Å; T578-E581 VanDerWaalsContact OG1-CG 3.23Å; T578-E581 WeakPolarHBondContact OG1-CG 3.42Å; T578-E581 PolarHBondContact OG1-N 3.12Å; T578-E581 VanDerWaalsContact OG1-N 3.17Å; T578-E581 PolarHBondContact OG1-OE2 3.4Å; E581-K583 VanDerWaalsContact C-N 3.33Å; E581-K583 PolarHBondContact O-N 3.25Å; E581-S584 PolarHBondContact O-N 3.05Å; E581-S584 PolarHBondContact O-OG 3.39Å; E581-H585 VanDerWaalsContact O-CB 3.29Å; E581-H585 WeakPolarHBondContact O-CB 3.26Å; E581-H585 PolarHBondContact O-CD2 3.41Å; E581-H585 PolarHBondContact O-N 3.29Å
582	A	94.3	Very high	92.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.1	-46.1	176.2	0	0	0	0	0	111.5	T578 R579 Y586 L593 V624	T578-A582 PolarHBondContact O-N 2.96Å; R579-A582 PolarHBondContact O-N 2.79Å; A582-Y586 WeakPolarHBondContact O-CB 3.31Å; A582-Y586 PolarHBondContact O-N 2.56Å; A582-Y586 VanDerWaalsContact O-N 3.15Å; A582-L593 HydrophobicContact CB-CD1 4.48Å; A582-L593 HydrophobicContact CB-CD2 4.43Å; A582-V624 HydrophobicContact CB-CG1 3.92Å; A582-V624 HydrophobicContact CB-CG2 4.3Å
583	K	95	Very high	92.8	Very high	68 Å²	68	51.2 Å²	51.2	30%	0.296	26%	0.257	S	S	.	.	H	α-helix	trans	-70.4	-38.1	178.7	-65.7	179.1	72.2	168.9	0	113.2	R579 T580 E581 L587 L588 D590 L593	R579-K583 HydrophobicContact CG-CD 4.33Å; R579-K583 WeakPolarHBondContact O-CG 3.41Å; R579-K583 PolarHBondContact O-N 2.98Å; R579-K583 VanDerWaalsContact O-N 3.09Å; T580-K583 PolarHBondContact O-N 3.25Å; E581-K583 VanDerWaalsContact C-N 3.33Å; E581-K583 PolarHBondContact O-N 3.25Å; K583-L587 WeakPolarHBondContact O-CA 3.26Å; K583-L587 PolarHBondContact O-N 2.88Å; K583-L588 WeakPolarHBondContact CG-O 3.4Å; K583-D590 WeakPolarHBondContact CE-OD1 3.41Å; K583-D590 IonicContact NZ-OD1 3.66Å; K583-D590 PolarHBondContact NZ-OD1 2.84Å; K583-D590 IonicContact NZ-OD2 3.82Å; K583-D590 PolarHBondContact NZ-OD2 3.32Å; K583-L593 HydrophobicContact CG-CD1 4.01Å
584	S	92.3	Very high	92.7	Very high	63 Å²	63	48.3 Å²	48.3	44%	0.441	25%	0.246	S	C	.	.	H	α-helix	trans	-80.2	-42.3	-175.5	64.8	0	0	0	0	112.7	T580 E581	T580-S584 WeakPolarHBondContact O-CB 3.47Å; T580-S584 PolarHBondContact O-N 2.77Å; T580-S584 PolarHBondContact O-OG 2.88Å; T580-S584 VanDerWaalsContact O-OG 3.08Å; E581-S584 PolarHBondContact O-N 3.05Å; E581-S584 PolarHBondContact O-OG 3.39Å
585	H	92.4	Very high	92.3	Very high	98 Å²	98	50.4 Å²	50.4	45%	0.454	27%	0.266	S	S	.	.	H	α-helix	trans	-79.9	-40.1	-177.9	-72.7	-88.6	0	0	0	112.1	E581 R642	E581-H585 VanDerWaalsContact O-CB 3.29Å; E581-H585 WeakPolarHBondContact O-CB 3.26Å; E581-H585 PolarHBondContact O-CD2 3.41Å; E581-H585 PolarHBondContact O-N 3.29Å; H585-R642 PolarHBondContact O-NH2 2.95Å
586	Y	94.5	Very high	92.2	Very high	18 Å²	18	50.7 Å²	50.7	7%	0.071	26%	0.264	C	S	.	.	S	Bend	trans	-104.2	7.6	-175.9	-57.9	-88.7	0	0	0	113.7	L577 A582 L588 R621 V624 E625 A628 W632 L638	L577-Y586 HydrophobicContact CD1-CD2 4.48Å; L577-Y586 HydrophobicContact CD1-CE2 3.6Å; A582-Y586 WeakPolarHBondContact O-CB 3.31Å; A582-Y586 PolarHBondContact O-N 2.56Å; A582-Y586 VanDerWaalsContact O-N 3.15Å; Y586-L588 PolarHBondContact O-N 3.12Å; Y586-R621 PolarHBondContact OH-NE 3.13Å; Y586-V624 HydrophobicContact CD2-CG1 3.51Å; Y586-V624 HydrophobicContact CE2-CG1 3.87Å; Y586-V624 HydrophobicContact CG-CG1 3.85Å; Y586-E625 HydrophobicContact CD1-CG 4.43Å; Y586-E625 HydrophobicContact CE1-CB 4.46Å; Y586-E625 HydrophobicContact CE1-CG 3.41Å; Y586-E625 VanDerWaalsContact CE1-CG 3.41Å; Y586-E625 WeakPolarHBondContact OH-CG 3.5Å; Y586-E625 PolarHBondContact OH-OE1 2.84Å; Y586-A628 HydrophobicContact CD1-CB 3.68Å; Y586-A628 HydrophobicContact CG-CB 4.18Å; Y586-W632 PolarHBondContact O-NE1 3.04Å; Y586-L638 HydrophobicContact CD1-CD2 3.95Å; Y586-L638 VanDerWaalsContact O-CD1 3.29Å; Y586-L638 WeakPolarHBondContact O-CD1 3.4Å
587	L	92.4	Very high	91.8	Very high	20 Å²	20	57.6 Å²	57.6	11%	0.105	29%	0.292	C	S	.	.			trans	53.9	23.6	178	-57.4	176.4	0	0	0	114.2	K583 W632 L638 A641 R642	K583-L587 WeakPolarHBondContact O-CA 3.26Å; K583-L587 PolarHBondContact O-N 2.88Å; L587-W632 HydrophobicContact CB-CZ2 3.56Å; L587-W632 HydrophobicContact CD1-CZ2 4.19Å; L587-L638 HydrophobicContact CB-CD1 4.09Å; L587-L638 HydrophobicContact CD1-CD1 4.04Å; L587-L638 HydrophobicContact CG-CD1 4.1Å; L587-A641 HydrophobicContact CD1-CB 3.69Å; L587-R642 HydrophobicContact CD1-CB 4.31Å
588	L	93.9	Very high	91.4	Very high	5 Å²	5	61.1 Å²	61.1	3%	0.026	32%	0.316	C	S	.	.			trans	-74.2	147.5	-179.2	-65.1	176.8	0	0	0	111.9	K583 Y586 D592 L593 V624 R627 V631	K583-L588 WeakPolarHBondContact CG-O 3.4Å; Y586-L588 PolarHBondContact O-N 3.12Å; L588-D592 HydrophobicContact CB-CB 4.32Å; L588-D592 HydrophobicContact CD2-CB 3.99Å; L588-L593 HydrophobicContact CB-CD2 4.48Å; L588-L593 HydrophobicContact CD1-CD2 3.8Å; L588-V624 HydrophobicContact CD1-CG1 3.88Å; L588-R627 HydrophobicContact CD1-CB 4.39Å; L588-R627 HydrophobicContact CD1-CG 3.93Å; L588-R627 HydrophobicContact CD2-CG 4Å; L588-V631 HydrophobicContact CD2-CB 4.14Å; L588-V631 HydrophobicContact CD2-CG1 4.4Å; L588-V631 HydrophobicContact CD2-CG2 3.93Å
589	K	92.5	Very high	91.1	Very high	145 Å²	145	61.6 Å²	61.6	63%	0.63	32%	0.32	S	S	*	.			trans	-96.4	169.1	173.4	-61.1	175.8	-175.5	172.4	0	110.6	C591 D592 L593	K589-C591 PolarHBondContact O-N 3.32Å; K589-D592 WeakPolarHBondContact CB-OD2 3.43Å; K589-D592 PolarHBondContact N-OD2 2.89Å; K589-D592 PolarHBondContact O-N 3.25Å; K589-D592 VanDerWaalsContact O-N 3.1Å; K589-L593 PolarHBondContact O-N 3.5Å
590	D	91.2	Very high	91	Very high	67 Å²	67	60.2 Å²	60.2	36%	0.358	32%	0.316	S	S	.	.	H	α-helix	trans	-63.3	-31.2	178.6	-63.5	-54.8	0	0	0	112.3	R579 K583 D592 L593 D594	R579-D590 IonicContact CZ-OD1 3.02Å; R579-D590 IonicContact NE-OD1 3.31Å; R579-D590 PolarHBondContact NE-OD1 3.28Å; R579-D590 IonicContact NH2-OD1 2.9Å; R579-D590 PolarHBondContact NH2-OD1 3.2Å; K583-D590 WeakPolarHBondContact CE-OD1 3.41Å; K583-D590 IonicContact NZ-OD1 3.66Å; K583-D590 PolarHBondContact NZ-OD1 2.84Å; K583-D590 IonicContact NZ-OD2 3.82Å; K583-D590 PolarHBondContact NZ-OD2 3.32Å; D590-D592 VanDerWaalsContact C-N 3.33Å; D590-L593 PolarHBondContact O-N 3.35Å; D590-D594 WeakPolarHBondContact O-CB 3.4Å; D590-D594 PolarHBondContact O-N 2.92Å
591	C	90.1	Very high	90.9	Very high	66 Å²	66	57.4 Å²	57.4	45%	0.446	29%	0.293	S	S	.	.	H	α-helix	trans	-66	-33.7	173.6	54	0	0	0	0	112.8	K589 L593 A595 R596	K589-C591 PolarHBondContact O-N 3.32Å; C591-L593 VanDerWaalsContact C-N 3.33Å; C591-A595 CarbonylContact O-C 3.53Å; C591-A595 WeakPolarHBondContact O-CA 3.11Å; C591-A595 PolarHBondContact O-N 3.11Å; C591-R596 PolarHBondContact O-N 3.18Å
592	D	92.6	Very high	90.8	Very high	12 Å²	12	54.7 Å²	54.7	6%	0.064	28%	0.28	C	S	.	.	H	α-helix	trans	-73.1	-27.8	180	-55.9	-51.8	0	0	0	112.5	L588 K589 D590 R596 R627 V631	L588-D592 HydrophobicContact CB-CB 4.32Å; L588-D592 HydrophobicContact CD2-CB 3.99Å; K589-D592 WeakPolarHBondContact CB-OD2 3.43Å; K589-D592 PolarHBondContact N-OD2 2.89Å; K589-D592 PolarHBondContact O-N 3.25Å; K589-D592 VanDerWaalsContact O-N 3.1Å; D590-D592 VanDerWaalsContact C-N 3.33Å; D592-R596 IonicContact OD1-NE 3.41Å; D592-R596 PolarHBondContact OD1-NE 2.84Å; D592-R627 HydrophobicContact CB-CG 4.42Å; D592-R627 VanDerWaalsContact O-CD 3.32Å; D592-R627 WeakPolarHBondContact O-CD 3.14Å; D592-R627 PolarHBondContact O-NE 3.28Å; D592-V631 HydrophobicContact CB-CG2 4.1Å; D592-V631 WeakPolarHBondContact OD1-CG2 3.46Å
593	L	91.7	Very high	90.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-86.1	-44.7	177.1	-61.6	178	0	0	0	112.2	R579 A582 K583 L588 K589 D590 C591 L600 Y619	R579-L593 HydrophobicContact CG-CD1 3.93Å; A582-L593 HydrophobicContact CB-CD1 4.48Å; A582-L593 HydrophobicContact CB-CD2 4.43Å; K583-L593 HydrophobicContact CG-CD1 4.01Å; L588-L593 HydrophobicContact CB-CD2 4.48Å; L588-L593 HydrophobicContact CD1-CD2 3.8Å; K589-L593 PolarHBondContact O-N 3.5Å; D590-L593 PolarHBondContact O-N 3.35Å; C591-L593 VanDerWaalsContact C-N 3.33Å; L593-L600 HydrophobicContact CD2-CD1 3.84Å; L593-L600 PolarHBondContact O-N 2.72Å; L593-Y619 HydrophobicContact CB-CE1 4.5Å; L593-Y619 HydrophobicContact CD1-CE2 4.36Å
594	D	86.7	Confident	90.5	Very high	24 Å²	24	55.7 Å²	55.7	13%	0.128	29%	0.288	C	S	.	.	H	α-helix	trans	-100.5	-27.9	-167.7	-58.8	-29.9	0	0	0	114.6	R526 R579 D590	R526-D594 IonicContact NH1-OD2 2.97Å; R526-D594 PolarHBondContact NH1-OD2 3.19Å; R579-D594 IonicContact CZ-OD1 3.23Å; R579-D594 IonicContact CZ-OD2 3.57Å; R579-D594 IonicContact NH1-OD1 3.53Å; R579-D594 PolarHBondContact NH1-OD1 3.2Å; R579-D594 IonicContact NH1-OD2 3.59Å; R579-D594 PolarHBondContact NH1-OD2 3.28Å; R579-D594 IonicContact NH2-OD1 2.88Å; R579-D594 IonicContact NH2-OD2 3.13Å; R579-D594 PolarHBondContact NH2-OD2 2.96Å; D590-D594 WeakPolarHBondContact O-CB 3.4Å; D590-D594 PolarHBondContact O-N 2.92Å
595	A	83.6	Confident	90.3	Very high	56 Å²	56	59.9 Å²	59.9	46%	0.463	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-30.7	-166.3	0	0	0	0	0	114.2	C591 K597	C591-A595 CarbonylContact O-C 3.53Å; C591-A595 WeakPolarHBondContact O-CA 3.11Å; C591-A595 PolarHBondContact O-N 3.11Å; A595-K597 PolarHBondContact O-N 3.28Å
596	R	89.5	Confident	90.1	Very high	111 Å²	111	61.6 Å²	61.6	42%	0.419	30%	0.3	S	S	.	.	S	Bend	trans	-64.4	120.9	177.5	-171	-178.4	-91.3	-88.9	2.6	108.9	C591 D592 P598 R627	C591-R596 PolarHBondContact O-N 3.18Å; D592-R596 IonicContact OD1-NE 3.41Å; D592-R596 PolarHBondContact OD1-NE 2.84Å; R596-P598 CarbonylContact O-C 3.36Å; R596-P598 VanDerWaalsContact O-C 3.23Å; R596-P598 VanDerWaalsContact O-O 3.11Å; R596-R627 VanDerWaalsContact CG-NH1 3.26Å; R596-R627 PolarHBondContact O-NH2 2.71Å
597	K	85.8	Confident	89.6	Confident	185 Å²	185	62.8 Å²	62.8	80%	0.804	31%	0.308	S	S	*	.	S	Bend	trans	-71	144.5	-179	-67.4	-175.8	177	-175	0	111.3	A595 R627	A595-K597 PolarHBondContact O-N 3.28Å; K597-R627 PolarHBondContact O-NH1 3.14Å
598	P	86.8	Confident	89.3	Confident	94 Å²	94	67.3 Å²	67.3	61%	0.61	34%	0.339	S	S	*	.	S	Bend	cis	-71	139.4	-16.5	30.9	-33.3	0	0	0	110.4	R596 R627	R596-P598 CarbonylContact O-C 3.36Å; R596-P598 VanDerWaalsContact O-C 3.23Å; R596-P598 VanDerWaalsContact O-O 3.11Å; P598-R627 PolarHBondContact O-NH2 3.13Å
599	P	87.3	Confident	88.5	Confident	34 Å²	34	75.7 Å²	75.7	22%	0.221	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-59.9	141.1	-178.5	25.5	-33.8	0	0	0	111.6	P529 F531 R601	P529-P599 HydrophobicContact CB-CB 4.12Å; P529-P599 HydrophobicContact CB-CG 4.23Å; F531-P599 HydrophobicContact CD1-CG 4.24Å; F531-P599 HydrophobicContact CE1-CB 4.4Å; F531-P599 HydrophobicContact CE1-CG 4.47Å; P599-R601 PolarHBondContact O-N 2.81Å
600	L	91.6	Very high	87.8	Confident	18 Å²	18	70.3 Å²	70.3	9%	0.094	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-74.1	125.3	-178.6	-65.9	-172.4	0	0	0	110.9	L593 Y619 Q623 V624 R627	L593-L600 HydrophobicContact CD2-CD1 3.84Å; L593-L600 PolarHBondContact O-N 2.72Å; L600-Y619 HydrophobicContact CB-CD1 3.92Å; L600-Y619 HydrophobicContact CB-CE1 4.04Å; L600-Y619 HydrophobicContact CD1-CD1 4.48Å; L600-Q623 HydrophobicContact CD2-CB 4.07Å; L600-V624 HydrophobicContact CD1-CG2 4.3Å; L600-R627 HydrophobicContact CD1-CB 3.95Å; L600-R627 HydrophobicContact CD1-CG 4.17Å
601	R	90.6	Very high	87.3	Confident	47 Å²	47	72.3 Å²	72.3	18%	0.177	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-63.5	145.6	173	-67.7	179.3	-173.6	-87	-2.4	111.1	F531 E532 M558 F559 P599	F531-R601 VanDerWaalsContact CB-NH1 3.32Å; F531-R601 HydrophobicContact CD1-CG 3.63Å; F531-R601 HydrophobicContact CE1-CB 4.24Å; F531-R601 HydrophobicContact CE1-CG 3.83Å; F531-R601 HydrophobicContact CG-CG 4.09Å; F531-R601 HydrophobicContact CZ-CG 4.42Å; E532-R601 PolarHBondContact O-NH2 2.85Å; M558-R601 WeakPolarHBondContact O-CB 3.49Å; M558-R601 WeakPolarHBondContact O-CD 3.3Å; F559-R601 HydrophobicContact CD1-CB 4.11Å; P599-R601 PolarHBondContact O-N 2.81Å
602	Y	93	Very high	86.6	Confident	18 Å²	18	77.4 Å²	77.4	7%	0.071	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	153.3	-179.9	60.2	-96.2	0	0	0	112.9	Q528 P529 F531 N604 K617 L618 Y619	Q528-Y602 PolarHBondContact OE1-OH 2.81Å; P529-Y602 HydrophobicContact CG-CE1 4.36Å; F531-Y602 HydrophobicContact CZ-CD1 4.04Å; F531-Y602 AromaticContact CZ-CE1 3.88Å; F531-Y602 HydrophobicContact CZ-CE1 3.88Å; Y602-N604 WeakPolarHBondContact CE2-OD1 3.31Å; Y602-K617 HydrophobicContact CD1-CD 4.31Å; Y602-K617 HydrophobicContact CD2-CB 4.09Å; Y602-K617 HydrophobicContact CD2-CD 3.86Å; Y602-K617 HydrophobicContact CD2-CG 3.78Å; Y602-K617 HydrophobicContact CE1-CD 4.21Å; Y602-K617 HydrophobicContact CE2-CD 3.79Å; Y602-K617 HydrophobicContact CE2-CG 3.98Å; Y602-K617 HydrophobicContact CG-CB 4.31Å; Y602-K617 HydrophobicContact CG-CD 4.14Å; Y602-K617 HydrophobicContact CG-CG 4.33Å; Y602-K617 PolarHBondContact OH-NZ 2.68Å; Y602-K617 VanDerWaalsContact OH-NZ 3.16Å; Y602-L618 CarbonylContact C-O 3.53Å; Y602-L618 VanDerWaalsContact CA-O 3.27Å; Y602-L618 WeakPolarHBondContact CA-O 3.1Å; Y602-L618 WeakPolarHBondContact CB-O 3.33Å; Y602-Y619 AromaticContact CD1-CE1 3.94Å; Y602-Y619 HydrophobicContact CD1-CE1 3.94Å; Y602-Y619 HydrophobicContact CG-CE1 4.19Å
603	L	91.3	Very high	85.9	Confident	22 Å²	22	81.8 Å²	81.8	12%	0.115	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.6	171.8	177.7	74.2	0	0	0	110.4	F554 M558 F559 L576 R605 L618	F554-L603 HydrophobicContact CZ-CD2 4.12Å; M558-L603 HydrophobicContact CE-CD1 3.77Å; M558-L603 HydrophobicContact CG-CB 4.17Å; M558-L603 HydrophobicContact CG-CD1 4.3Å; M558-L603 HydrophobicContact SD-CB 4.24Å; M558-L603 HydrophobicContact SD-CD1 3.8Å; F559-L603 HydrophobicContact CZ-CB 4.14Å; L576-L603 HydrophobicContact CD1-CD2 4.31Å; L603-R605 HydrophobicContact CD2-CG 4.15Å; L603-R605 HydrophobicContact CG-CG 4.4Å; L603-L618 HydrophobicContact CB-CB 4.25Å; L603-L618 HydrophobicContact CD2-CD1 4.31Å; L603-L618 PolarHBondContact N-O 3.3Å; L603-L618 PolarHBondContact O-N 2.93Å
604	N	90.5	Very high	85.3	Confident	66 Å²	66	84.1 Å²	84.1	35%	0.353	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.2	170.5	-74.3	-32.3	0	0	0	110.9	Y602 D615	Y602-N604 WeakPolarHBondContact CE2-OD1 3.31Å; N604-D615 HydrophobicContact CB-CB 4.45Å
605	R	88.8	Confident	85.3	Confident	151 Å²	151	86.6 Å²	86.6	57%	0.57	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.8	168.7	-80.1	-160.9	171.3	173.4	-1.3	111.6	L603 N607 D615 M616 L618	L603-R605 HydrophobicContact CD2-CG 4.15Å; L603-R605 HydrophobicContact CG-CG 4.4Å; R605-N607 PolarHBondContact O-N 2.95Å; R605-D615 CarbonylContact O-C 3.55Å; R605-M616 PolarHBondContact N-O 3.34Å; R605-M616 PolarHBondContact O-N 3.38Å; R605-L618 HydrophobicContact CB-CD1 4.32Å; R605-L618 HydrophobicContact CG-CD1 4.11Å
606	K	87.3	Confident	85.6	Confident	134 Å²	134	86.2 Å²	86.2	58%	0.583	42%	0.422	S	S	*	.			trans	-58.1	139.1	171.8	-65.9	-73.3	160	-148.1	0	109.9	P608 D615	K606-P608 WeakPolarHBondContact O-CD 3.47Å; K606-D615 VanDerWaalsContact CD-OD1 3.26Å; K606-D615 WeakPolarHBondContact CD-OD1 3.28Å; K606-D615 WeakPolarHBondContact CE-OD1 2.98Å; K606-D615 VanDerWaalsContact NZ-CG 3.34Å; K606-D615 IonicContact NZ-OD1 3.02Å; K606-D615 PolarHBondContact NZ-OD1 3.26Å; K606-D615 IonicContact NZ-OD2 2.79Å; K606-D615 PolarHBondContact NZ-OD2 3.31Å; K606-D615 VanDerWaalsContact NZ-OD2 3.12Å
607	N	84.9	Confident	85.8	Confident	44 Å²	44	83.5 Å²	83.5	24%	0.235	41%	0.413	C	S	.	.			trans	-65.9	121.5	-179.7	-171.5	-41	0	0	0	110	R605 R609 S610 F613	R605-N607 PolarHBondContact O-N 2.95Å; N607-R609 PolarHBondContact O-N 3.31Å; N607-R609 VanDerWaalsContact O-N 3.16Å; N607-R609 WeakPolarHBondContact OD1-CB 3.4Å; N607-R609 PolarHBondContact OD1-N 3.44Å; N607-S610 CarbonylContact O-C 3.55Å; N607-S610 PolarHBondContact O-N 2.98Å; N607-F613 HydrophobicContact CB-CB 3.9Å; N607-F613 WeakPolarHBondContact ND2-CB 3.25Å
608	P	84.8	Confident	86.2	Confident	114 Å²	114	75.3 Å²	75.3	74%	0.74	38%	0.379	S	S	*	.	S	Bend	trans	-66.9	-18	-174.4	25	-33.2	0	0	0	113.4	K606	K606-P608 WeakPolarHBondContact O-CD 3.47Å
609	R	77.8	Confident	86.6	Confident	182 Å²	182	70.9 Å²	70.9	69%	0.687	35%	0.35	S	S	*	.	S	Bend	trans	-82.7	-38.1	179.4	-169.4	178.6	174.3	119.3	-0.6	112.4	N607 F613	N607-R609 PolarHBondContact O-N 3.31Å; N607-R609 VanDerWaalsContact O-N 3.16Å; N607-R609 WeakPolarHBondContact OD1-CB 3.4Å; N607-R609 PolarHBondContact OD1-N 3.44Å; R609-F613 HydrophobicContact CB-CD2 4.47Å; R609-F613 HydrophobicContact CB-CE2 4.39Å; R609-F613 HydrophobicContact CG-CE2 4.25Å
610	S	77	Confident	86.9	Confident	32 Å²	32	69.4 Å²	69.4	22%	0.224	34%	0.34	C	S	.	.			trans	-164.2	134.4	173	179.2	0	0	0	0	110.8	N607 R612 F613	N607-S610 CarbonylContact O-C 3.55Å; N607-S610 PolarHBondContact O-N 2.98Å; S610-R612 PolarHBondContact O-N 3.41Å; S610-R612 PolarHBondContact OG-N 3.46Å; S610-F613 PolarHBondContact O-N 3.46Å; S610-F613 VanDerWaalsContact O-N 3.08Å
611	P	82.4	Confident	87.1	Confident	108 Å²	108	71.4 Å²	71.4	70%	0.701	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.5	174.2	28.4	-34.1	0	0	0	113.5	F613	P611-F613 VanDerWaalsContact C-N 3.27Å
612	R	73.9	Confident	87.2	Confident	174 Å²	174	70.7 Å²	70.7	66%	0.657	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-26.7	170.6	-73	-173.7	173.7	164.4	-0.8	112.1	D513 N516 S610	D513-R612 IonicContact OD1-CZ 2.65Å; D513-R612 IonicContact OD1-NH1 2.99Å; D513-R612 PolarHBondContact OD1-NH1 3.08Å; D513-R612 IonicContact OD1-NH2 2.63Å; N516-R612 PolarHBondContact OD1-NH2 3.28Å; S610-R612 PolarHBondContact O-N 3.41Å; S610-R612 PolarHBondContact OG-N 3.46Å
613	F	78	Confident	87.3	Confident	103 Å²	103	71.7 Å²	71.7	45%	0.452	36%	0.355	S	S	.	.	S	Bend	trans	-75.8	141.2	174.4	-57.2	-48.4	0	0	0	109.2	N607 R609 S610 P611	N607-F613 HydrophobicContact CB-CB 3.9Å; N607-F613 WeakPolarHBondContact ND2-CB 3.25Å; R609-F613 HydrophobicContact CB-CD2 4.47Å; R609-F613 HydrophobicContact CB-CE2 4.39Å; R609-F613 HydrophobicContact CG-CE2 4.25Å; S610-F613 PolarHBondContact O-N 3.46Å; S610-F613 VanDerWaalsContact O-N 3.08Å; P611-F613 VanDerWaalsContact C-N 3.27Å
614	G	79.6	Confident	87.5	Confident	50 Å²	50	70.6 Å²	70.6	52%	0.515	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-54	159	177	0	0	0	0	0	112.6	M616	G614-M616 PolarHBondContact O-N 2.9Å
615	D	86.3	Confident	87.7	Confident	75 Å²	75	70.1 Å²	70.1	40%	0.401	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-58.9	138.8	-177.5	-69.5	-18.8	0	0	0	111.4	N604 R605 K606	N604-D615 HydrophobicContact CB-CB 4.45Å; R605-D615 CarbonylContact O-C 3.55Å; K606-D615 VanDerWaalsContact CD-OD1 3.26Å; K606-D615 WeakPolarHBondContact CD-OD1 3.28Å; K606-D615 WeakPolarHBondContact CE-OD1 2.98Å; K606-D615 VanDerWaalsContact NZ-CG 3.34Å; K606-D615 IonicContact NZ-OD1 3.02Å; K606-D615 PolarHBondContact NZ-OD1 3.26Å; K606-D615 IonicContact NZ-OD2 2.79Å; K606-D615 PolarHBondContact NZ-OD2 3.31Å; K606-D615 VanDerWaalsContact NZ-OD2 3.12Å
616	M	90.7	Very high	87.9	Confident	48 Å²	48	69.5 Å²	69.5	24%	0.236	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	121.7	179.6	-177.6	175.1	64.8	0	0	109.6	T578 R605 G614 L618	T578-M616 HydrophobicContact CG2-CE 4.29Å; T578-M616 HydrophobicContact CG2-CG 4.23Å; T578-M616 HydrophobicContact CG2-SD 3.45Å; T578-M616 WeakPolarHBondContact CG2-SD 3.48Å; R605-M616 PolarHBondContact N-O 3.34Å; R605-M616 PolarHBondContact O-N 3.38Å; G614-M616 PolarHBondContact O-N 2.9Å; M616-L618 HydrophobicContact CE-CD1 4.44Å; M616-L618 HydrophobicContact CE-CD2 3.93Å; M616-L618 HydrophobicContact CE-CG 4.3Å; M616-L618 HydrophobicContact CG-CD2 4.5Å; M616-L618 HydrophobicContact SD-CD2 4.49Å
617	K	92.7	Very high	88.3	Confident	54 Å²	54	64 Å²	64	24%	0.235	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	128.8	172	-61.4	-172.7	178.1	-164.5	0	110.7	R579 Y602 Y619	R579-K617 HydrophobicContact CB-CB 4.41Å; R579-K617 PolarHBondContact N-O 2.92Å; Y602-K617 HydrophobicContact CD1-CD 4.31Å; Y602-K617 HydrophobicContact CD2-CB 4.09Å; Y602-K617 HydrophobicContact CD2-CD 3.86Å; Y602-K617 HydrophobicContact CD2-CG 3.78Å; Y602-K617 HydrophobicContact CE1-CD 4.21Å; Y602-K617 HydrophobicContact CE2-CD 3.79Å; Y602-K617 HydrophobicContact CE2-CG 3.98Å; Y602-K617 HydrophobicContact CG-CB 4.31Å; Y602-K617 HydrophobicContact CG-CD 4.14Å; Y602-K617 HydrophobicContact CG-CG 4.33Å; Y602-K617 PolarHBondContact OH-NZ 2.68Å; Y602-K617 VanDerWaalsContact OH-NZ 3.16Å; K617-Y619 HydrophobicContact CB-CE2 3.88Å
618	L	94.8	Very high	88.8	Confident	14 Å²	14	62 Å²	62	7%	0.073	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.1	178	-67.8	175.7	0	0	0	110.4	L576 L577 T578 Y602 L603 R605 M616	L576-L618 HydrophobicContact CB-CB 4.27Å; L576-L618 HydrophobicContact CD1-CB 4.44Å; L576-L618 HydrophobicContact CD1-CD1 4.42Å; L577-L618 CarbonylContact O-C 3.56Å; L577-L618 WeakPolarHBondContact O-CA 3.29Å; T578-L618 HydrophobicContact CG2-CD2 3.82Å; Y602-L618 CarbonylContact C-O 3.53Å; Y602-L618 VanDerWaalsContact CA-O 3.27Å; Y602-L618 WeakPolarHBondContact CA-O 3.1Å; Y602-L618 WeakPolarHBondContact CB-O 3.33Å; L603-L618 HydrophobicContact CB-CB 4.25Å; L603-L618 HydrophobicContact CD2-CD1 4.31Å; L603-L618 PolarHBondContact N-O 3.3Å; L603-L618 PolarHBondContact O-N 2.93Å; R605-L618 HydrophobicContact CB-CD1 4.32Å; R605-L618 HydrophobicContact CG-CD1 4.11Å; M616-L618 HydrophobicContact CE-CD1 4.44Å; M616-L618 HydrophobicContact CE-CD2 3.93Å; M616-L618 HydrophobicContact CE-CG 4.3Å; M616-L618 HydrophobicContact CG-CD2 4.5Å; M616-L618 HydrophobicContact SD-CD2 4.49Å
619	Y	95.2	Very high	89.2	Confident	1 Å²	1	60 Å²	60	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	151.5	-179	-62.6	-89.7	0	0	0	110.8	L576 L577 R579 L593 L600 Y602 K617 V624	L576-Y619 CarbonylContact C-O 3.51Å; L576-Y619 VanDerWaalsContact CA-O 3.25Å; L576-Y619 WeakPolarHBondContact CA-O 3.43Å; L577-Y619 PolarHBondContact N-O 3.03Å; L577-Y619 PolarHBondContact O-N 2.92Å; R579-Y619 HydrophobicContact CB-CE2 3.87Å; R579-Y619 HydrophobicContact CG-CE2 4Å; R579-Y619 PolarHBondContact NH1-OH 3.16Å; L593-Y619 HydrophobicContact CB-CE1 4.5Å; L593-Y619 HydrophobicContact CD1-CE2 4.36Å; L600-Y619 HydrophobicContact CB-CD1 3.92Å; L600-Y619 HydrophobicContact CB-CE1 4.04Å; L600-Y619 HydrophobicContact CD1-CD1 4.48Å; Y602-Y619 AromaticContact CD1-CE1 3.94Å; Y602-Y619 HydrophobicContact CD1-CE1 3.94Å; Y602-Y619 HydrophobicContact CG-CE1 4.19Å; K617-Y619 HydrophobicContact CB-CE2 3.88Å; Y619-V624 HydrophobicContact CG-CG2 4.34Å
620	L	94.5	Very high	89.9	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	127	172	-174.2	63.6	0	0	0	110.2	L555 F559 C561 L576 A622 Q623 V624	L555-L620 HydrophobicContact CD2-CD1 4.03Å; F559-L620 HydrophobicContact CB-CB 4.47Å; F559-L620 HydrophobicContact CB-CD2 4.13Å; F559-L620 HydrophobicContact CD1-CB 3.83Å; F559-L620 HydrophobicContact CE1-CB 4.19Å; F559-L620 HydrophobicContact CG-CB 4.05Å; F559-L620 HydrophobicContact CG-CD2 4.46Å; C561-L620 HydrophobicContact CB-CD2 3.93Å; L576-L620 HydrophobicContact CD2-CB 4.48Å; L576-L620 HydrophobicContact CD2-CD1 4.12Å; L620-A622 VanDerWaalsContact C-N 3.34Å; L620-A622 HydrophobicContact CG-CB 4.41Å; L620-A622 PolarHBondContact O-N 3.42Å; L620-Q623 HydrophobicContact CB-CB 4.44Å; L620-Q623 HydrophobicContact CB-CG 4.4Å; L620-Q623 HydrophobicContact CD2-CG 4.28Å; L620-Q623 PolarHBondContact O-N 3.49Å; L620-Q623 VanDerWaalsContact O-N 3.16Å; L620-V624 WeakPolarHBondContact O-CG2 3.47Å; L620-V624 PolarHBondContact O-N 3.17Å; L620-V624 VanDerWaalsContact O-N 3.13Å
621	R	95.2	Very high	90.7	Very high	61 Å²	61	54.7 Å²	54.7	23%	0.23	29%	0.289	C	S	.	.	H	α-helix	trans	-55.2	-45.2	-177.2	178.7	166.3	177.9	158.2	6.7	113.1	E572 K575 L577 Y586 Q623 V624 E625	E572-R621 VanDerWaalsContact CD-NH1 3.27Å; E572-R621 WeakPolarHBondContact O-CD 3.17Å; E572-R621 IonicContact OE1-CZ 2.99Å; E572-R621 IonicContact OE1-NH1 3.52Å; E572-R621 PolarHBondContact OE1-NH1 3.04Å; K575-R621 WeakPolarHBondContact O-CB 3.24Å; K575-R621 PolarHBondContact O-N 3.18Å; L577-R621 HydrophobicContact CD1-CB 3.91Å; L577-R621 HydrophobicContact CD1-CG 3.82Å; L577-R621 HydrophobicContact CG-CB 4.04Å; L577-R621 HydrophobicContact CG-CG 4.33Å; Y586-R621 PolarHBondContact OH-NE 3.13Å; R621-Q623 VanDerWaalsContact C-N 3.33Å; R621-Q623 PolarHBondContact O-N 2.73Å; R621-V624 WeakPolarHBondContact O-CB 3.42Å; R621-V624 PolarHBondContact O-N 3.13Å; R621-V624 VanDerWaalsContact O-N 3.09Å; R621-E625 HydrophobicContact CG-CG 4.42Å; R621-E625 WeakPolarHBondContact CG-OE1 3.45Å; R621-E625 IonicContact CZ-OE1 2.77Å; R621-E625 IonicContact NE-OE1 3.67Å; R621-E625 PolarHBondContact NE-OE1 3.16Å; R621-E625 IonicContact NH2-OE1 3.78Å; R621-E625 PolarHBondContact NH2-OE1 3.26Å; R621-E625 PolarHBondContact O-N 3.38Å
622	A	93.1	Very high	91.2	Very high	31 Å²	31	53.8 Å²	53.8	26%	0.256	27%	0.272	S	S	.	.	H	α-helix	trans	-54.4	-45	177.2	0	0	0	0	0	113.2	K573 L620 V624 E625 E626	K573-A622 WeakPolarHBondContact O-CB 3.42Å; K573-A622 PolarHBondContact O-N 3.38Å; L620-A622 VanDerWaalsContact C-N 3.34Å; L620-A622 HydrophobicContact CG-CB 4.41Å; L620-A622 PolarHBondContact O-N 3.42Å; A622-V624 VanDerWaalsContact C-N 3.34Å; A622-V624 PolarHBondContact O-N 3.46Å; A622-E625 PolarHBondContact O-N 3Å; A622-E626 PolarHBondContact O-N 3Å
623	Q	94.6	Very high	92	Very high	39 Å²	39	48.4 Å²	48.4	18%	0.182	27%	0.27	C	S	.	.	H	α-helix	trans	-69.8	-32	178.5	-72.5	176.7	-24.8	0	0	112.5	F559 L600 L620 R621 R627	F559-Q623 PolarHBondContact O-NE2 3.14Å; L600-Q623 HydrophobicContact CD2-CB 4.07Å; L620-Q623 HydrophobicContact CB-CB 4.44Å; L620-Q623 HydrophobicContact CB-CG 4.4Å; L620-Q623 HydrophobicContact CD2-CG 4.28Å; L620-Q623 PolarHBondContact O-N 3.49Å; L620-Q623 VanDerWaalsContact O-N 3.16Å; R621-Q623 VanDerWaalsContact C-N 3.33Å; R621-Q623 PolarHBondContact O-N 2.73Å; Q623-R627 WeakPolarHBondContact O-CB 3.49Å; Q623-R627 PolarHBondContact O-N 3.12Å
624	V	95.6	Very high	92.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-70.3	-39.2	174.6	175.5	0	0	0	0	111	L577 A582 Y586 L588 L600 Y619 L620 R621 A622 R627 A628	L577-V624 HydrophobicContact CD1-CG1 4.45Å; A582-V624 HydrophobicContact CB-CG1 3.92Å; A582-V624 HydrophobicContact CB-CG2 4.3Å; Y586-V624 HydrophobicContact CD2-CG1 3.51Å; Y586-V624 HydrophobicContact CE2-CG1 3.87Å; Y586-V624 HydrophobicContact CG-CG1 3.85Å; L588-V624 HydrophobicContact CD1-CG1 3.88Å; L600-V624 HydrophobicContact CD1-CG2 4.3Å; Y619-V624 HydrophobicContact CG-CG2 4.34Å; L620-V624 WeakPolarHBondContact O-CG2 3.47Å; L620-V624 PolarHBondContact O-N 3.17Å; L620-V624 VanDerWaalsContact O-N 3.13Å; R621-V624 WeakPolarHBondContact O-CB 3.42Å; R621-V624 PolarHBondContact O-N 3.13Å; R621-V624 VanDerWaalsContact O-N 3.09Å; A622-V624 VanDerWaalsContact C-N 3.34Å; A622-V624 PolarHBondContact O-N 3.46Å; V624-R627 PolarHBondContact O-N 2.83Å; V624-A628 WeakPolarHBondContact O-CB 3.44Å; V624-A628 PolarHBondContact O-N 3.43Å
625	E	94.7	Very high	93.2	Very high	55 Å²	55	48.2 Å²	48.2	26%	0.257	27%	0.266	S	S	.	.	H	α-helix	trans	-63.3	-47.5	174.9	-81.2	169.6	-178.8	0	0	111.3	Y586 R621 A622 R627 A628 I629	Y586-E625 HydrophobicContact CD1-CG 4.43Å; Y586-E625 HydrophobicContact CE1-CB 4.46Å; Y586-E625 HydrophobicContact CE1-CG 3.41Å; Y586-E625 VanDerWaalsContact CE1-CG 3.41Å; Y586-E625 WeakPolarHBondContact OH-CG 3.5Å; Y586-E625 PolarHBondContact OH-OE1 2.84Å; R621-E625 HydrophobicContact CG-CG 4.42Å; R621-E625 WeakPolarHBondContact CG-OE1 3.45Å; R621-E625 IonicContact CZ-OE1 2.77Å; R621-E625 IonicContact NE-OE1 3.67Å; R621-E625 PolarHBondContact NE-OE1 3.16Å; R621-E625 IonicContact NH2-OE1 3.78Å; R621-E625 PolarHBondContact NH2-OE1 3.26Å; R621-E625 PolarHBondContact O-N 3.38Å; A622-E625 PolarHBondContact O-N 3Å; E625-R627 VanDerWaalsContact C-N 3.33Å; E625-R627 PolarHBondContact O-N 3.42Å; E625-A628 WeakPolarHBondContact O-CB 3.32Å; E625-A628 PolarHBondContact O-N 3.42Å; E625-A628 VanDerWaalsContact O-N 3.1Å; E625-I629 WeakPolarHBondContact O-CG1 3.2Å; E625-I629 PolarHBondContact O-N 3.37Å
626	E	93.6	Very high	93.5	Very high	139 Å²	139	51.8 Å²	51.8	65%	0.65	28%	0.28	S	S	*	.	H	α-helix	trans	-59.9	-42.7	174.2	-173.1	177.5	-165.3	0	0	111.8	A622 A628 I629 A630	A622-E626 PolarHBondContact O-N 3Å; E626-A628 VanDerWaalsContact C-N 3.31Å; E626-A628 PolarHBondContact O-N 2.97Å; E626-I629 PolarHBondContact O-N 2.92Å; E626-A630 WeakPolarHBondContact O-CB 3.39Å; E626-A630 PolarHBondContact O-N 3.04Å
627	R	94.8	Very high	93.6	Very high	18 Å²	18	50.9 Å²	50.9	7%	0.068	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-39.4	173.8	177.2	63.2	75.3	-158.4	3.8	112.3	L588 D592 R596 K597 P598 L600 Q623 V624 E625 A630 V631	L588-R627 HydrophobicContact CD1-CB 4.39Å; L588-R627 HydrophobicContact CD1-CG 3.93Å; L588-R627 HydrophobicContact CD2-CG 4Å; D592-R627 HydrophobicContact CB-CG 4.42Å; D592-R627 VanDerWaalsContact O-CD 3.32Å; D592-R627 WeakPolarHBondContact O-CD 3.14Å; D592-R627 PolarHBondContact O-NE 3.28Å; R596-R627 VanDerWaalsContact CG-NH1 3.26Å; R596-R627 PolarHBondContact O-NH2 2.71Å; K597-R627 PolarHBondContact O-NH1 3.14Å; P598-R627 PolarHBondContact O-NH2 3.13Å; L600-R627 HydrophobicContact CD1-CB 3.95Å; L600-R627 HydrophobicContact CD1-CG 4.17Å; Q623-R627 WeakPolarHBondContact O-CB 3.49Å; Q623-R627 PolarHBondContact O-N 3.12Å; V624-R627 PolarHBondContact O-N 2.83Å; E625-R627 VanDerWaalsContact C-N 3.33Å; E625-R627 PolarHBondContact O-N 3.42Å; R627-A630 PolarHBondContact O-N 2.89Å; R627-V631 HydrophobicContact CG-CG2 4.45Å; R627-V631 VanDerWaalsContact O-CG2 3.29Å; R627-V631 WeakPolarHBondContact O-CG2 3.35Å; R627-V631 PolarHBondContact O-N 2.78Å
628	A	94.7	Very high	93.6	Very high	2 Å²	2	48.6 Å²	48.6	2%	0.017	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-43.8	178.6	0	0	0	0	0	110.9	Y586 V624 E625 E626 A630 V631 W632 L638	Y586-A628 HydrophobicContact CD1-CB 3.68Å; Y586-A628 HydrophobicContact CG-CB 4.18Å; V624-A628 WeakPolarHBondContact O-CB 3.44Å; V624-A628 PolarHBondContact O-N 3.43Å; E625-A628 WeakPolarHBondContact O-CB 3.32Å; E625-A628 PolarHBondContact O-N 3.42Å; E625-A628 VanDerWaalsContact O-N 3.1Å; E626-A628 VanDerWaalsContact C-N 3.31Å; E626-A628 PolarHBondContact O-N 2.97Å; A628-A630 VanDerWaalsContact C-N 3.34Å; A628-A630 PolarHBondContact O-N 3.03Å; A628-V631 PolarHBondContact O-N 3.31Å; A628-W632 WeakPolarHBondContact O-CB 3.33Å; A628-W632 VanDerWaalsContact O-CD1 3.3Å; A628-W632 PolarHBondContact O-N 3.01Å; A628-L638 HydrophobicContact CB-CD2 4.23Å
629	I	94.4	Very high	93.4	Very high	71 Å²	71	52.1 Å²	52.1	36%	0.364	29%	0.287	S	S	.	.	H	α-helix	trans	-62.1	-43	174	-64.4	166.6	0	0	0	110.3	E625 E626 V631 W632 G633	E625-I629 WeakPolarHBondContact O-CG1 3.2Å; E625-I629 PolarHBondContact O-N 3.37Å; E626-I629 PolarHBondContact O-N 2.92Å; I629-V631 PolarHBondContact O-N 3.42Å; I629-W632 PolarHBondContact O-N 3.15Å; I629-G633 CarbonylContact O-C 3.55Å; I629-G633 WeakPolarHBondContact O-CA 3.1Å; I629-G633 PolarHBondContact O-N 2.85Å
630	A	93	Very high	93.2	Very high	61 Å²	61	58.7 Å²	58.7	50%	0.504	32%	0.317	S	S	.	.	H	α-helix	trans	-64.4	-23.7	176.7	0	0	0	0	0	114.3	E626 R627 A628	E626-A630 WeakPolarHBondContact O-CB 3.39Å; E626-A630 PolarHBondContact O-N 3.04Å; R627-A630 PolarHBondContact O-N 2.89Å; A628-A630 VanDerWaalsContact C-N 3.34Å; A628-A630 PolarHBondContact O-N 3.03Å
631	V	93.1	Very high	93.1	Very high	43 Å²	43	59.5 Å²	59.5	26%	0.261	33%	0.325	S	S	.	.	H	α-helix	trans	-92.2	-38.9	179.1	171.1	0	0	0	0	112	L588 D592 R627 A628 I629	L588-V631 HydrophobicContact CD2-CB 4.14Å; L588-V631 HydrophobicContact CD2-CG1 4.4Å; L588-V631 HydrophobicContact CD2-CG2 3.93Å; D592-V631 HydrophobicContact CB-CG2 4.1Å; D592-V631 WeakPolarHBondContact OD1-CG2 3.46Å; R627-V631 HydrophobicContact CG-CG2 4.45Å; R627-V631 VanDerWaalsContact O-CG2 3.29Å; R627-V631 WeakPolarHBondContact O-CG2 3.35Å; R627-V631 PolarHBondContact O-N 2.78Å; A628-V631 PolarHBondContact O-N 3.31Å; I629-V631 PolarHBondContact O-N 3.42Å
632	W	93.6	Very high	92.9	Very high	89 Å²	89	60.3 Å²	60.3	34%	0.337	33%	0.328	S	S	.	.	H	α-helix	trans	-104.2	-9.1	-173.3	-65	102.1	0	0	0	113.9	Y586 L587 A628 I629 S634 A637 L638 A641	Y586-W632 PolarHBondContact O-NE1 3.04Å; L587-W632 HydrophobicContact CB-CZ2 3.56Å; L587-W632 HydrophobicContact CD1-CZ2 4.19Å; A628-W632 WeakPolarHBondContact O-CB 3.33Å; A628-W632 VanDerWaalsContact O-CD1 3.3Å; A628-W632 PolarHBondContact O-N 3.01Å; I629-W632 PolarHBondContact O-N 3.15Å; W632-S634 PolarHBondContact O-N 3.31Å; W632-S634 VanDerWaalsContact O-N 3.1Å; W632-A637 VanDerWaalsContact O-CB 3.28Å; W632-A637 WeakPolarHBondContact O-CB 3.49Å; W632-L638 HydrophobicContact CB-CB 4.22Å; W632-L638 HydrophobicContact CD2-CD1 4.35Å; W632-L638 HydrophobicContact CG-CB 4.2Å; W632-L638 HydrophobicContact CG-CD1 4.09Å; W632-A641 HydrophobicContact CE3-CB 4.02Å; W632-A641 HydrophobicContact CH2-CB 3.81Å; W632-A641 HydrophobicContact CZ2-CB 4.47Å; W632-A641 HydrophobicContact CZ3-CB 3.55Å
633	G	90.5	Very high	92.7	Very high	60 Å²	60	62.2 Å²	62.2	62%	0.619	34%	0.336	S	S	*	.	S	Bend	trans	82.9	-52.3	-178.5	0	0	0	0	0	113.3	I629	I629-G633 CarbonylContact O-C 3.55Å; I629-G633 WeakPolarHBondContact O-CA 3.1Å; I629-G633 PolarHBondContact O-N 2.85Å
634	S	91.8	Very high	92.6	Very high	48 Å²	48	67.1 Å²	67.1	34%	0.336	36%	0.357	S	S	.	.	S	Bend	trans	-137.6	161.3	-180	73.8	0	0	0	0	112.1	W632 E636 A637 L638	W632-S634 PolarHBondContact O-N 3.31Å; W632-S634 VanDerWaalsContact O-N 3.1Å; S634-E636 PolarHBondContact O-N 2.89Å; S634-A637 PolarHBondContact O-N 3.22Å; S634-A637 PolarHBondContact OG-N 3.35Å; S634-A637 VanDerWaalsContact OG-N 3.15Å; S634-L638 PolarHBondContact O-N 2.77Å
635	N	90.2	Very high	92.3	Very high	101 Å²	101	73.4 Å²	73.4	54%	0.54	38%	0.38	S	S	.	.	H	α-helix	trans	-65.6	-30.4	173.7	-76.8	-44.5	0	0	0	112.2	L638 E639	N635-L638 PolarHBondContact O-N 2.94Å; N635-E639 PolarHBondContact O-N 2.66Å; N635-E639 VanDerWaalsContact O-N 3.09Å
636	E	92	Very high	92	Very high	150 Å²	150	73.8 Å²	73.8	70%	0.701	39%	0.387	S	S	*	.	H	α-helix	trans	-65.5	-46.5	176.7	-64.6	176.3	171.5	0	0	111	S634 L638 E639 E640	S634-E636 PolarHBondContact O-N 2.89Å; E636-L638 VanDerWaalsContact C-N 3.27Å; E636-L638 PolarHBondContact O-N 3.23Å; E636-E639 PolarHBondContact O-N 2.95Å; E636-E639 VanDerWaalsContact O-N 3.07Å; E636-E640 WeakPolarHBondContact O-CG 3.37Å; E636-E640 PolarHBondContact O-N 3.22Å
637	A	93	Very high	91.8	Very high	29 Å²	29	71.8 Å²	71.8	24%	0.24	38%	0.38	C	S	.	.	H	α-helix	trans	-60.8	-36.1	176.9	0	0	0	0	0	112.4	W632 S634 A641	W632-A637 VanDerWaalsContact O-CB 3.28Å; W632-A637 WeakPolarHBondContact O-CB 3.49Å; S634-A637 PolarHBondContact O-N 3.22Å; S634-A637 PolarHBondContact OG-N 3.35Å; S634-A637 VanDerWaalsContact OG-N 3.15Å; A637-A641 VanDerWaalsContact O-CB 3.28Å; A637-A641 WeakPolarHBondContact O-CB 3.39Å; A637-A641 PolarHBondContact O-N 3.23Å
638	L	92.6	Very high	91.5	Very high	7 Å²	7	75 Å²	75	4%	0.037	40%	0.398	C	S	.	.	H	α-helix	trans	-65.6	-42.3	174	174.6	66	0	0	0	111.8	Y586 L587 A628 W632 S634 N635 E636 A641 R642	Y586-L638 HydrophobicContact CD1-CD2 3.95Å; Y586-L638 VanDerWaalsContact O-CD1 3.29Å; Y586-L638 WeakPolarHBondContact O-CD1 3.4Å; L587-L638 HydrophobicContact CB-CD1 4.09Å; L587-L638 HydrophobicContact CD1-CD1 4.04Å; L587-L638 HydrophobicContact CG-CD1 4.1Å; A628-L638 HydrophobicContact CB-CD2 4.23Å; W632-L638 HydrophobicContact CB-CB 4.22Å; W632-L638 HydrophobicContact CD2-CD1 4.35Å; W632-L638 HydrophobicContact CG-CB 4.2Å; W632-L638 HydrophobicContact CG-CD1 4.09Å; S634-L638 PolarHBondContact O-N 2.77Å; N635-L638 PolarHBondContact O-N 2.94Å; E636-L638 VanDerWaalsContact C-N 3.27Å; E636-L638 PolarHBondContact O-N 3.23Å; L638-A641 PolarHBondContact O-N 3.4Å; L638-R642 PolarHBondContact O-N 3.45Å
639	E	91.3	Very high	91.2	Very high	87 Å²	87	78.4 Å²	78.4	41%	0.407	42%	0.417	S	S	.	.	H	α-helix	trans	-70.4	-41.7	179.7	-161.6	61.3	-140.7	0	0	111.4	N635 E636 A641 R642 V643	N635-E639 PolarHBondContact O-N 2.66Å; N635-E639 VanDerWaalsContact O-N 3.09Å; E636-E639 PolarHBondContact O-N 2.95Å; E636-E639 VanDerWaalsContact O-N 3.07Å; E639-A641 VanDerWaalsContact C-N 3.32Å; E639-A641 PolarHBondContact O-N 3.39Å; E639-R642 VanDerWaalsContact CD-NH1 3.27Å; E639-R642 WeakPolarHBondContact O-CA 3.2Å; E639-R642 WeakPolarHBondContact O-CB 3.46Å; E639-R642 PolarHBondContact O-N 3.39Å; E639-R642 IonicContact OE1-CZ 2.79Å; E639-R642 IonicContact OE1-NH1 2.83Å; E639-R642 PolarHBondContact OE1-NH1 2.93Å; E639-R642 IonicContact OE2-CZ 3.85Å; E639-R642 VanDerWaalsContact OE2-CZ 3.31Å; E639-R642 IonicContact OE2-NH1 3.57Å; E639-R642 PolarHBondContact OE2-NH1 3.33Å; E639-R642 IonicContact OE2-NH2 2.72Å; E639-V643 WeakPolarHBondContact O-CG2 3.38Å; E639-V643 PolarHBondContact O-N 3.35Å
640	E	91.9	Very high	90.8	Very high	139 Å²	139	80.3 Å²	80.3	65%	0.65	42%	0.424	S	S	*	.	H	α-helix	trans	-57.8	-44.1	171.6	-73.4	-177	178.7	0	0	111.7	E636 R642 V643 K644	E636-E640 WeakPolarHBondContact O-CG 3.37Å; E636-E640 PolarHBondContact O-N 3.22Å; E640-R642 VanDerWaalsContact C-N 3.26Å; E640-R642 PolarHBondContact O-N 2.95Å; E640-V643 PolarHBondContact O-N 3.39Å; E640-K644 VanDerWaalsContact O-CB 3.31Å; E640-K644 WeakPolarHBondContact O-CB 3.48Å; E640-K644 PolarHBondContact O-N 3.05Å
641	A	91.3	Very high	90.4	Very high	20 Å²	20	79.9 Å²	79.9	17%	0.165	42%	0.42	C	S	.	.	H	α-helix	trans	-62.2	-34.6	175.1	0	0	0	0	0	111.9	L587 W632 A637 L638 E639 R645	L587-A641 HydrophobicContact CD1-CB 3.69Å; W632-A641 HydrophobicContact CE3-CB 4.02Å; W632-A641 HydrophobicContact CH2-CB 3.81Å; W632-A641 HydrophobicContact CZ2-CB 4.47Å; W632-A641 HydrophobicContact CZ3-CB 3.55Å; A637-A641 VanDerWaalsContact O-CB 3.28Å; A637-A641 WeakPolarHBondContact O-CB 3.39Å; A637-A641 PolarHBondContact O-N 3.23Å; L638-A641 PolarHBondContact O-N 3.4Å; E639-A641 VanDerWaalsContact C-N 3.32Å; E639-A641 PolarHBondContact O-N 3.39Å; A641-R645 VanDerWaalsContact O-CB 3.32Å; A641-R645 WeakPolarHBondContact O-CB 3.25Å; A641-R645 PolarHBondContact O-N 3.42Å
642	R	90.6	Very high	90	Very high	77 Å²	77	82 Å²	82	29%	0.291	43%	0.43	S	S	.	.	H	α-helix	trans	-68	-48.5	175.5	-168.6	-172.5	-70.3	150.8	3.1	111.1	H585 L587 L638 E639 E640 K644 R645 T646	H585-R642 PolarHBondContact O-NH2 2.95Å; L587-R642 HydrophobicContact CD1-CB 4.31Å; L638-R642 PolarHBondContact O-N 3.45Å; E639-R642 VanDerWaalsContact CD-NH1 3.27Å; E639-R642 WeakPolarHBondContact O-CA 3.2Å; E639-R642 WeakPolarHBondContact O-CB 3.46Å; E639-R642 PolarHBondContact O-N 3.39Å; E639-R642 IonicContact OE1-CZ 2.79Å; E639-R642 IonicContact OE1-NH1 2.83Å; E639-R642 PolarHBondContact OE1-NH1 2.93Å; E639-R642 IonicContact OE2-CZ 3.85Å; E639-R642 VanDerWaalsContact OE2-CZ 3.31Å; E639-R642 IonicContact OE2-NH1 3.57Å; E639-R642 PolarHBondContact OE2-NH1 3.33Å; E639-R642 IonicContact OE2-NH2 2.72Å; E640-R642 VanDerWaalsContact C-N 3.26Å; E640-R642 PolarHBondContact O-N 2.95Å; R642-K644 VanDerWaalsContact C-N 3.34Å; R642-K644 PolarHBondContact O-N 2.98Å; R642-R645 PolarHBondContact O-N 2.88Å; R642-R645 VanDerWaalsContact O-N 3.16Å; R642-T646 PolarHBondContact O-N 3.1Å; R642-T646 PolarHBondContact O-OG1 3.02Å
643	V	90.4	Very high	89.6	Confident	72 Å²	72	84.6 Å²	84.6	44%	0.436	44%	0.444	S	S	.	.	H	α-helix	trans	-60.3	-44.2	176.6	174.7	0	0	0	0	110.7	E639 E640 R645 T646 L647	E639-V643 WeakPolarHBondContact O-CG2 3.38Å; E639-V643 PolarHBondContact O-N 3.35Å; E640-V643 PolarHBondContact O-N 3.39Å; V643-R645 VanDerWaalsContact C-N 3.32Å; V643-R645 PolarHBondContact O-N 2.82Å; V643-T646 WeakPolarHBondContact CA-OG1 3.36Å; V643-T646 PolarHBondContact O-N 3.38Å; V643-T646 PolarHBondContact O-OG1 3.02Å; V643-L647 HydrophobicContact CG1-CD1 4.03Å; V643-L647 HydrophobicContact CG1-CG 4.4Å; V643-L647 VanDerWaalsContact O-CG 3.31Å; V643-L647 WeakPolarHBondContact O-CG 3.46Å; V643-L647 PolarHBondContact O-N 2.98Å
644	K	91.2	Very high	89	Confident	141 Å²	141	87.1 Å²	87.1	61%	0.613	44%	0.439	S	S	*	.	H	α-helix	trans	-61.7	-39.8	175.6	-171.4	174	-175.4	172.1	0	112	E640 R642 N648	E640-K644 VanDerWaalsContact O-CB 3.31Å; E640-K644 WeakPolarHBondContact O-CB 3.48Å; E640-K644 PolarHBondContact O-N 3.05Å; R642-K644 VanDerWaalsContact C-N 3.34Å; R642-K644 PolarHBondContact O-N 2.98Å; K644-N648 VanDerWaalsContact O-CB 3.27Å; K644-N648 WeakPolarHBondContact O-CB 3.12Å; K644-N648 VanDerWaalsContact O-CG 3.3Å; K644-N648 PolarHBondContact O-N 3.37Å
645	R	89.7	Confident	88.1	Confident	132 Å²	132	88.1 Å²	88.1	50%	0.498	45%	0.446	S	S	.	.	H	α-helix	trans	-67.3	-38.6	176.7	-172.2	176	-175.5	170.3	2.1	112	A641 R642 V643 N649	A641-R645 VanDerWaalsContact O-CB 3.32Å; A641-R645 WeakPolarHBondContact O-CB 3.25Å; A641-R645 PolarHBondContact O-N 3.42Å; R642-R645 PolarHBondContact O-N 2.88Å; R642-R645 VanDerWaalsContact O-N 3.16Å; V643-R645 VanDerWaalsContact C-N 3.32Å; V643-R645 PolarHBondContact O-N 2.82Å; R645-N649 VanDerWaalsContact O-CB 3.29Å; R645-N649 WeakPolarHBondContact O-CB 3.21Å; R645-N649 PolarHBondContact O-N 3.41Å; R645-N649 PolarHBondContact O-ND2 3.27Å; R645-N649 VanDerWaalsContact O-ND2 3.16Å
646	T	87.8	Confident	87.7	Confident	64 Å²	64	91.9 Å²	91.9	39%	0.393	45%	0.453	S	S	.	.	H	α-helix	trans	-66.2	-47.3	175.9	49.8	0	0	0	0	111.1	R642 V643 N648 N649 E650	R642-T646 PolarHBondContact O-N 3.1Å; R642-T646 PolarHBondContact O-OG1 3.02Å; V643-T646 WeakPolarHBondContact CA-OG1 3.36Å; V643-T646 PolarHBondContact O-N 3.38Å; V643-T646 PolarHBondContact O-OG1 3.02Å; T646-N648 PolarHBondContact O-N 3.3Å; T646-N649 WeakPolarHBondContact O-CB 3.4Å; T646-N649 PolarHBondContact O-N 2.85Å; T646-N649 VanDerWaalsContact O-N 3.14Å; T646-E650 WeakPolarHBondContact O-CG 3.35Å; T646-E650 PolarHBondContact O-N 2.93Å
647	L	90	Very high	87	Confident	97 Å²	97	90.2 Å²	90.2	51%	0.508	44%	0.441	S	S	.	.	H	α-helix	trans	-60	-44.6	175.8	-67.7	174.8	0	0	0	112	V643 N649 E650 A651	V643-L647 HydrophobicContact CG1-CD1 4.03Å; V643-L647 HydrophobicContact CG1-CG 4.4Å; V643-L647 VanDerWaalsContact O-CG 3.31Å; V643-L647 WeakPolarHBondContact O-CG 3.46Å; V643-L647 PolarHBondContact O-N 2.98Å; L647-N649 VanDerWaalsContact C-N 3.34Å; L647-N649 PolarHBondContact O-N 3.16Å; L647-E650 PolarHBondContact O-N 2.92Å; L647-A651 WeakPolarHBondContact O-CB 3.13Å; L647-A651 PolarHBondContact O-N 2.67Å
648	N	88.9	Confident	86	Confident	84 Å²	84	92.2 Å²	92.2	45%	0.449	45%	0.448	S	S	.	.	H	α-helix	trans	-64.2	-38.4	175.4	-80.6	-13.5	0	0	0	112.3	K644 T646 E650 N652	K644-N648 VanDerWaalsContact O-CB 3.27Å; K644-N648 WeakPolarHBondContact O-CB 3.12Å; K644-N648 VanDerWaalsContact O-CG 3.3Å; K644-N648 PolarHBondContact O-N 3.37Å; T646-N648 PolarHBondContact O-N 3.3Å; N648-E650 VanDerWaalsContact C-N 3.33Å; N648-N652 WeakPolarHBondContact O-CB 3.47Å; N648-N652 PolarHBondContact O-N 2.83Å; N648-N652 PolarHBondContact O-ND2 3.19Å; N648-N652 VanDerWaalsContact O-ND2 3.11Å
649	N	88.4	Confident	85	Confident	75 Å²	75	100.7 Å²	100.7	40%	0.401	48%	0.479	S	S	.	.	H	α-helix	trans	-65.8	-37.7	175.4	-75.4	-24.4	0	0	0	111.4	R645 T646 L647 K653	R645-N649 VanDerWaalsContact O-CB 3.29Å; R645-N649 WeakPolarHBondContact O-CB 3.21Å; R645-N649 PolarHBondContact O-N 3.41Å; R645-N649 PolarHBondContact O-ND2 3.27Å; R645-N649 VanDerWaalsContact O-ND2 3.16Å; T646-N649 WeakPolarHBondContact O-CB 3.4Å; T646-N649 PolarHBondContact O-N 2.85Å; T646-N649 VanDerWaalsContact O-N 3.14Å; L647-N649 VanDerWaalsContact C-N 3.34Å; L647-N649 PolarHBondContact O-N 3.16Å; N649-K653 WeakPolarHBondContact O-CB 3.49Å; N649-K653 WeakPolarHBondContact O-CG 3.33Å; N649-K653 PolarHBondContact O-N 3.48Å
650	E	85.4	Confident	84.2	Confident	111 Å²	111	102.8 Å²	102.8	52%	0.519	49%	0.487	S	S	.	.	H	α-helix	trans	-67.1	-48.4	174.6	-73.6	169.2	-178.1	0	0	111.5	T646 L647 N648 N652 K653 Q654	T646-E650 WeakPolarHBondContact O-CG 3.35Å; T646-E650 PolarHBondContact O-N 2.93Å; L647-E650 PolarHBondContact O-N 2.92Å; N648-E650 VanDerWaalsContact C-N 3.33Å; E650-N652 VanDerWaalsContact C-N 3.3Å; E650-N652 PolarHBondContact O-N 3.05Å; E650-K653 WeakPolarHBondContact O-CB 3.38Å; E650-K653 PolarHBondContact O-N 2.97Å; E650-K653 VanDerWaalsContact O-N 3.15Å; E650-Q654 WeakPolarHBondContact O-CB 3.33Å; E650-Q654 PolarHBondContact O-N 3.43Å
651	A	83.8	Confident	83.2	Confident	51 Å²	51	97.1 Å²	97.1	42%	0.421	46%	0.461	S	S	.	.	H	α-helix	trans	-59.6	-39.7	174.2	0	0	0	0	0	112.1	L647 Q654 S655	L647-A651 WeakPolarHBondContact O-CB 3.13Å; L647-A651 PolarHBondContact O-N 2.67Å; A651-Q654 PolarHBondContact O-N 3.36Å; A651-S655 VanDerWaalsContact O-CB 3.28Å; A651-S655 WeakPolarHBondContact O-CB 3.35Å; A651-S655 PolarHBondContact O-N 3.33Å; A651-S655 PolarHBondContact O-OG 2.99Å
652	N	85.2	Confident	81.8	Confident	88 Å²	88	100.4 Å²	100.4	47%	0.471	48%	0.475	S	S	.	.	H	α-helix	trans	-70.1	-37.5	175.4	-78.5	-32.1	0	0	0	112.5	N648 E650 S655 R656	N648-N652 WeakPolarHBondContact O-CB 3.47Å; N648-N652 PolarHBondContact O-N 2.83Å; N648-N652 PolarHBondContact O-ND2 3.19Å; N648-N652 VanDerWaalsContact O-ND2 3.11Å; E650-N652 VanDerWaalsContact C-N 3.3Å; E650-N652 PolarHBondContact O-N 3.05Å; N652-S655 PolarHBondContact O-N 3.17Å; N652-R656 VanDerWaalsContact O-CB 3.27Å; N652-R656 WeakPolarHBondContact O-CB 3.48Å; N652-R656 VanDerWaalsContact O-CG 3.24Å; N652-R656 WeakPolarHBondContact O-CG 3.34Å; N652-R656 PolarHBondContact O-N 3.39Å
653	K	84.9	Confident	80.6	Confident	144 Å²	144	100.4 Å²	100.4	63%	0.626	48%	0.483	S	S	*	.	H	α-helix	trans	-62.1	-45.7	171.7	-78.4	168.7	-175.6	177.1	0	110.2	N649 E650 R656 Y657	N649-K653 WeakPolarHBondContact O-CB 3.49Å; N649-K653 WeakPolarHBondContact O-CG 3.33Å; N649-K653 PolarHBondContact O-N 3.48Å; E650-K653 WeakPolarHBondContact O-CB 3.38Å; E650-K653 PolarHBondContact O-N 2.97Å; E650-K653 VanDerWaalsContact O-N 3.15Å; K653-R656 PolarHBondContact O-N 3Å; K653-Y657 WeakPolarHBondContact O-CB 3.39Å; K653-Y657 PolarHBondContact O-N 2.97Å
654	Q	77.6	Confident	79.1	Confident	113 Å²	113	101 Å²	101	53%	0.528	48%	0.481	S	S	.	.	H	α-helix	trans	-62.3	-44.5	176.6	-160.7	68.8	13.9	0	0	111.4	E650 A651 Y657 N658	E650-Q654 WeakPolarHBondContact O-CB 3.33Å; E650-Q654 PolarHBondContact O-N 3.43Å; A651-Q654 PolarHBondContact O-N 3.36Å; Q654-Y657 WeakPolarHBondContact O-CB 3.36Å; Q654-Y657 PolarHBondContact O-N 2.89Å; Q654-N658 WeakPolarHBondContact O-CB 3.42Å; Q654-N658 PolarHBondContact O-N 3.42Å; Q654-N658 PolarHBondContact O-OD1 2.91Å
655	S	74.5	Confident	77.3	Confident	69 Å²	69	97 Å²	97	48%	0.483	47%	0.466	S	S	.	.	H	α-helix	trans	-66.6	-39.9	177.8	-62.4	0	0	0	0	112.2	A651 N652 Y657 N658 R659	A651-S655 VanDerWaalsContact O-CB 3.28Å; A651-S655 WeakPolarHBondContact O-CB 3.35Å; A651-S655 PolarHBondContact O-N 3.33Å; A651-S655 PolarHBondContact O-OG 2.99Å; N652-S655 PolarHBondContact O-N 3.17Å; S655-Y657 VanDerWaalsContact C-N 3.34Å; S655-N658 PolarHBondContact O-N 3.3Å; S655-R659 VanDerWaalsContact O-CB 3.27Å; S655-R659 WeakPolarHBondContact O-CB 3.44Å; S655-R659 PolarHBondContact O-N 2.87Å
656	R	80.6	Confident	75.4	Confident	179 Å²	179	98.3 Å²	98.3	68%	0.675	48%	0.476	S	S	*	.	H	α-helix	trans	-64.1	-40.5	172.6	-78.4	176.1	-176.7	177.3	2.2	111.3	N652 K653 R659 K660	N652-R656 VanDerWaalsContact O-CB 3.27Å; N652-R656 WeakPolarHBondContact O-CB 3.48Å; N652-R656 VanDerWaalsContact O-CG 3.24Å; N652-R656 WeakPolarHBondContact O-CG 3.34Å; N652-R656 PolarHBondContact O-N 3.39Å; K653-R656 PolarHBondContact O-N 3Å; R656-R659 PolarHBondContact O-N 2.86Å; R656-K660 WeakPolarHBondContact O-CB 3.46Å; R656-K660 WeakPolarHBondContact O-CG 3.47Å; R656-K660 PolarHBondContact O-N 3.12Å
657	Y	78.6	Confident	73.5	Confident	115 Å²	115	102 Å²	102	45%	0.451	49%	0.492	S	S	.	.	H	α-helix	trans	-61.2	-52.9	174.8	176.7	-97.1	0	0	0	110.8	K653 Q654 S655 R659 K660 L661	K653-Y657 WeakPolarHBondContact O-CB 3.39Å; K653-Y657 PolarHBondContact O-N 2.97Å; Q654-Y657 WeakPolarHBondContact O-CB 3.36Å; Q654-Y657 PolarHBondContact O-N 2.89Å; S655-Y657 VanDerWaalsContact C-N 3.34Å; Y657-R659 VanDerWaalsContact C-N 3.3Å; Y657-R659 PolarHBondContact O-N 3.42Å; Y657-K660 PolarHBondContact O-N 3.44Å; Y657-K660 VanDerWaalsContact O-N 3.16Å; Y657-L661 WeakPolarHBondContact O-CB 3.47Å; Y657-L661 PolarHBondContact O-N 3.17Å
658	N	71.1	Confident	71.4	Confident	72 Å²	72	98.8 Å²	98.8	39%	0.385	48%	0.482	S	S	.	.	H	α-helix	trans	-58.8	-40.5	177.1	-67.7	-8.1	0	0	0	112	Q654 S655 L661 I662	Q654-N658 WeakPolarHBondContact O-CB 3.42Å; Q654-N658 PolarHBondContact O-N 3.42Å; Q654-N658 PolarHBondContact O-OD1 2.91Å; S655-N658 PolarHBondContact O-N 3.3Å; N658-L661 WeakPolarHBondContact O-CB 3.42Å; N658-L661 PolarHBondContact O-N 3.21Å; N658-I662 VanDerWaalsContact O-CG1 3.26Å; N658-I662 WeakPolarHBondContact O-CG1 3.14Å; N658-I662 PolarHBondContact O-N 3.21Å
659	R	72.7	Confident	69.2	Low	185 Å²	185	101.1 Å²	101.1	70%	0.698	50%	0.502	S	S	*	.	H	α-helix	trans	-67.3	-41	177.7	-163.4	178.2	-135	155.7	5.6	112.1	S655 R656 Y657 I662 V663	S655-R659 VanDerWaalsContact O-CB 3.27Å; S655-R659 WeakPolarHBondContact O-CB 3.44Å; S655-R659 PolarHBondContact O-N 2.87Å; R656-R659 PolarHBondContact O-N 2.86Å; Y657-R659 VanDerWaalsContact C-N 3.3Å; Y657-R659 PolarHBondContact O-N 3.42Å; R659-I662 PolarHBondContact O-N 3.22Å; R659-V663 VanDerWaalsContact O-CG2 3.3Å; R659-V663 WeakPolarHBondContact O-CG2 3.26Å; R659-V663 PolarHBondContact O-N 3.02Å
660	K	74	Confident	66.8	Low	130 Å²	130	103.7 Å²	103.7	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-62.5	-43.9	173.3	-77.5	-174.7	177.9	-170.5	0	111	R656 Y657 I662 V663 Q664	R656-K660 WeakPolarHBondContact O-CB 3.46Å; R656-K660 WeakPolarHBondContact O-CG 3.47Å; R656-K660 PolarHBondContact O-N 3.12Å; Y657-K660 PolarHBondContact O-N 3.44Å; Y657-K660 VanDerWaalsContact O-N 3.16Å; K660-I662 PolarHBondContact O-N 2.79Å; K660-V663 PolarHBondContact O-N 3Å; K660-Q664 PolarHBondContact O-N 3.23Å
661	L	70.1	Confident	64.5	Low	21 Å²	21	102.9 Å²	102.9	11%	0.11	52%	0.522	C	S	.	.	H	α-helix	trans	-57.3	-49.4	176.1	-164	95.3	0	0	0	111.2	Y657 N658 V663 Q664 L665 W676	Y657-L661 WeakPolarHBondContact O-CB 3.47Å; Y657-L661 PolarHBondContact O-N 3.17Å; N658-L661 WeakPolarHBondContact O-CB 3.42Å; N658-L661 PolarHBondContact O-N 3.21Å; L661-V663 PolarHBondContact O-N 3.37Å; L661-Q664 PolarHBondContact O-N 3.04Å; L661-L665 HydrophobicContact CD2-CD1 4.29Å; L661-L665 HydrophobicContact CG-CD1 4.32Å; L661-L665 VanDerWaalsContact O-CG 3.29Å; L661-L665 WeakPolarHBondContact O-CG 3.35Å; L661-L665 PolarHBondContact O-N 3.28Å; L661-W676 HydrophobicContact CD2-CZ2 3.88Å
662	I	62.9	Low	62.3	Low	89 Å²	89	107.3 Å²	107.3	46%	0.456	53%	0.533	S	S	.	.	H	α-helix	trans	-61.6	-42.2	177.6	-68.4	164.4	0	0	0	111.7	N658 R659 K660 L665 K666	N658-I662 VanDerWaalsContact O-CG1 3.26Å; N658-I662 WeakPolarHBondContact O-CG1 3.14Å; N658-I662 PolarHBondContact O-N 3.21Å; R659-I662 PolarHBondContact O-N 3.22Å; K660-I662 PolarHBondContact O-N 2.79Å; I662-L665 PolarHBondContact O-N 3.27Å; I662-K666 HydrophobicContact CG2-CD 4.3Å; I662-K666 WeakPolarHBondContact O-CG 3.5Å; I662-K666 PolarHBondContact O-N 3.29Å
663	V	64.6	Low	59.8	Low	76 Å²	76	109 Å²	109	46%	0.461	55%	0.546	S	S	.	.	H	α-helix	trans	-65	-42	178.6	169.4	0	0	0	0	111.1	R659 K660 L661 K666 L667	R659-V663 VanDerWaalsContact O-CG2 3.3Å; R659-V663 WeakPolarHBondContact O-CG2 3.26Å; R659-V663 PolarHBondContact O-N 3.02Å; K660-V663 PolarHBondContact O-N 3Å; L661-V663 PolarHBondContact O-N 3.37Å; V663-K666 PolarHBondContact O-N 3.04Å; V663-L667 HydrophobicContact CG1-CD1 3.78Å; V663-L667 HydrophobicContact CG1-CG 4.48Å; V663-L667 WeakPolarHBondContact O-CG 3.39Å; V663-L667 PolarHBondContact O-N 3.29Å; V663-L667 VanDerWaalsContact O-N 3.08Å
664	Q	59.3	Low	57.4	Low	85 Å²	85	106.2 Å²	106.2	40%	0.397	54%	0.541	S	S	.	.	H	α-helix	trans	-64	-40.4	175.4	-78.4	177.9	-60.1	0	0	112	K660 L661 K666 L667 G668	K660-Q664 PolarHBondContact O-N 3.23Å; L661-Q664 PolarHBondContact O-N 3.04Å; Q664-K666 VanDerWaalsContact C-N 3.33Å; Q664-K666 PolarHBondContact O-N 3.06Å; Q664-L667 PolarHBondContact O-N 3.5Å; Q664-G668 PolarHBondContact O-N 3.03Å
665	L	53.2	Low	55.2	Low	56 Å²	56	107.2 Å²	107.2	29%	0.293	55%	0.548	S	S	.	.	H	α-helix	trans	-65	-34.3	175.4	-69.9	169.5	0	0	0	112.6	L661 I662	L661-L665 HydrophobicContact CD2-CD1 4.29Å; L661-L665 HydrophobicContact CG-CD1 4.32Å; L661-L665 VanDerWaalsContact O-CG 3.29Å; L661-L665 WeakPolarHBondContact O-CG 3.35Å; L661-L665 PolarHBondContact O-N 3.28Å; I662-L665 PolarHBondContact O-N 3.27Å
666	K	50.2	Low	53.1	Low	161 Å²	161	113 Å²	113	70%	0.7	56%	0.56	S	S	*	*	H	α-helix	trans	-77.1	-24.3	177.4	-75.4	-173	178.4	-165.8	0	114.7	I662 V663 Q664	I662-K666 HydrophobicContact CG2-CD 4.3Å; I662-K666 WeakPolarHBondContact O-CG 3.5Å; I662-K666 PolarHBondContact O-N 3.29Å; V663-K666 PolarHBondContact O-N 3.04Å; Q664-K666 VanDerWaalsContact C-N 3.33Å; Q664-K666 PolarHBondContact O-N 3.06Å
667	L	48.6	Very low	50.7	Low	140 Å²	140	111.8 Å²	111.8	73%	0.733	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-2.2	178.7	-71.1	168.9	0	0	0	113.1	V663 Q664	V663-L667 HydrophobicContact CG1-CD1 3.78Å; V663-L667 HydrophobicContact CG1-CG 4.48Å; V663-L667 WeakPolarHBondContact O-CG 3.39Å; V663-L667 PolarHBondContact O-N 3.29Å; V663-L667 VanDerWaalsContact O-N 3.08Å; Q664-L667 PolarHBondContact O-N 3.5Å
668	G	44.1	Very low	49.1	Very low	30 Å²	30	115.3 Å²	115.3	31%	0.309	58%	0.579	S	S	.	*	S	Bend	trans	-73.9	141.5	172.4	0	0	0	0	0	111.4	Q664 N670	Q664-G668 PolarHBondContact O-N 3.03Å; G668-N670 PolarHBondContact O-N 3.41Å
669	P	44.4	Very low	47.7	Very low	133 Å²	133	121.3 Å²	121.3	86%	0.864	60%	0.602	S	S	*	*	S	Bend	trans	-62.9	-8.4	-178.9	-21.5	32.3	0	0	0	115.5
670	N	36.8	Very low	45.8	Very low	130 Å²	130	120 Å²	120	70%	0.695	60%	0.602	S	S	*	*	S	Bend	trans	-130.1	91.6	176.2	-71.2	-24.4	0	0	0	108.6	G668 F672	G668-N670 PolarHBondContact O-N 3.41Å; N670-F672 VanDerWaalsContact C-N 3.3Å; N670-F672 HydrophobicContact CB-CD2 4.28Å; N670-F672 HydrophobicContact CB-CE2 4.08Å; N670-F672 PolarHBondContact O-N 3.14Å
671	S	36.6	Very low	43.7	Very low	93 Å²	93	120.5 Å²	120.5	65%	0.65	61%	0.609	S	S	*	*			trans	-73.5	76.3	-176.4	43.5	0	0	0	0	111.9	V673	S671-V673 PolarHBondContact O-N 3.11Å
672	F	37.7	Very low	41.7	Very low	145 Å²	145	125.2 Å²	125.2	64%	0.636	64%	0.638	S	S	*	*			trans	-76.9	111.6	161.4	-68.2	-82	0	0	0	108.7	N670 V674	N670-F672 VanDerWaalsContact C-N 3.3Å; N670-F672 HydrophobicContact CB-CD2 4.28Å; N670-F672 HydrophobicContact CB-CE2 4.08Å; N670-F672 PolarHBondContact O-N 3.14Å; F672-V674 PolarHBondContact O-N 3.07Å
673	V	32.6	Very low	40.1	Very low	124 Å²	124	129.3 Å²	129.3	75%	0.752	65%	0.653	S	S	*	*			trans	-70.2	95.4	171.4	-176.9	0	0	0	0	107.8	S671 I675	S671-V673 PolarHBondContact O-N 3.11Å; V673-I675 HydrophobicContact CG1-CG1 3.77Å; V673-I675 PolarHBondContact O-N 3.05Å
674	V	35.6	Very low	38.3	Very low	85 Å²	85	129.9 Å²	129.9	52%	0.515	66%	0.66	S	S	.	*			trans	-72.2	97.2	167.8	-177.8	0	0	0	0	107.4	F672 W676	F672-V674 PolarHBondContact O-N 3.07Å; V674-W676 PolarHBondContact O-N 3.07Å
675	I	30.3	Very low	36.8	Very low	134 Å²	134	132.2 Å²	132.2	69%	0.687	67%	0.674	S	S	*	*			trans	-77	112.3	171.1	-57.2	178.9	0	0	0	107.4	V673 H677	V673-I675 HydrophobicContact CG1-CG1 3.77Å; V673-I675 PolarHBondContact O-N 3.05Å; I675-H677 PolarHBondContact O-N 3.21Å
676	W	30.2	Very low	35.5	Very low	191 Å²	191	137.9 Å²	137.9	72%	0.723	70%	0.697	S	S	*	*			trans	-71	92.6	171.9	-72.7	72.3	0	0	0	109.1	L661 V674	L661-W676 HydrophobicContact CD2-CZ2 3.88Å; V674-W676 PolarHBondContact O-N 3.07Å
677	H	31.4	Very low	34.4	Very low	153 Å²	153	137 Å²	137	71%	0.708	70%	0.699	S	S	*	*			trans	-80.5	127.6	164.2	-127.8	-85	0	0	0	108.6	I675 F679 K680	I675-H677 PolarHBondContact O-N 3.21Å; H677-F679 PolarHBondContact O-N 3.22Å; H677-K680 PolarHBondContact O-N 2.67Å
678	K	45.4	Very low	33.3	Very low	189 Å²	189	135 Å²	135	82%	0.822	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.5	-10.1	-158.9	-121.4	177.1	-179.1	-178.9	0	117.4
679	F	41.6	Very low	32.6	Very low	197 Å²	197	141.3 Å²	141.3	86%	0.864	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.7	15.8	179.7	-82.7	-75	0	0	0	117.3	H677	H677-F679 PolarHBondContact O-N 3.22Å
680	K	32	Very low	31.9	Very low	159 Å²	159	144 Å²	144	69%	0.691	72%	0.717	S	S	*	*			trans	-158.6	132.3	169.5	-108.1	170.2	-173.3	179.9	0	112	H677 V682	H677-K680 PolarHBondContact O-N 2.67Å; K680-V682 HydrophobicContact CB-CG2 4.34Å; K680-V682 PolarHBondContact O-N 2.98Å
681	I	31	Very low	31.5	Very low	139 Å²	139	142.2 Å²	142.2	71%	0.713	72%	0.721	S	S	*	*			trans	-75.6	104.6	165.5	-60.5	170.3	0	0	0	106.5	F683	I681-F683 HydrophobicContact CG2-CD2 3.85Å; I681-F683 HydrophobicContact CG2-CE2 3.47Å; I681-F683 VanDerWaalsContact CG2-CE2 3.47Å; I681-F683 HydrophobicContact CG2-CZ 3.88Å
682	V	27	Very low	31.2	Very low	121 Å²	121	143.1 Å²	143.1	73%	0.733	73%	0.728	S	S	*	*			trans	-104.6	110.6	169.1	-177.8	0	0	0	0	107.5	K680 S684	K680-V682 HydrophobicContact CB-CG2 4.34Å; K680-V682 PolarHBondContact O-N 2.98Å; V682-S684 PolarHBondContact O-N 2.88Å; V682-S684 VanDerWaalsContact O-N 3.16Å
683	F	30.3	Very low	30.9	Very low	175 Å²	175	144.6 Å²	144.6	77%	0.768	74%	0.736	S	S	*	*			trans	-75.1	95.8	170	-70.1	-85.8	0	0	0	108.3	I681 I685	I681-F683 HydrophobicContact CG2-CD2 3.85Å; I681-F683 HydrophobicContact CG2-CE2 3.47Å; I681-F683 VanDerWaalsContact CG2-CE2 3.47Å; I681-F683 HydrophobicContact CG2-CZ 3.88Å; F683-I685 PolarHBondContact O-N 3.24Å
684	S	26.5	Very low	31	Very low	87 Å²	87	144.8 Å²	144.8	61%	0.608	74%	0.74	S	S	*	*			trans	-80.8	97.7	166	-161.7	0	0	0	0	108.1	V682 F686	V682-S684 PolarHBondContact O-N 2.88Å; V682-S684 VanDerWaalsContact O-N 3.16Å; S684-F686 PolarHBondContact O-N 3.4Å; S684-F686 VanDerWaalsContact O-N 3.12Å
685	I	27.8	Very low	31	Very low	135 Å²	135	150.7 Å²	150.7	69%	0.692	76%	0.759	S	S	*	*			trans	-73.2	97.6	171	-55.7	174.1	0	0	0	106.4	F683 L687	F683-I685 PolarHBondContact O-N 3.24Å; I685-L687 VanDerWaalsContact C-N 3.28Å; I685-L687 HydrophobicContact CG2-CD2 4.25Å; I685-L687 HydrophobicContact CG2-CG 3.94Å; I685-L687 PolarHBondContact O-N 3.12Å
686	F	26.2	Very low	31.2	Very low	174 Å²	174	154.3 Å²	154.3	76%	0.763	77%	0.769	S	S	*	*			trans	-71.4	94.1	159.3	-82.3	-85.9	0	0	0	106.8	S684 P688	S684-F686 PolarHBondContact O-N 3.4Å; S684-F686 VanDerWaalsContact O-N 3.12Å; F686-P688 WeakPolarHBondContact O-CD 3.39Å
687	L	26.2	Very low	31	Very low	144 Å²	144	154.4 Å²	154.4	75%	0.754	78%	0.778	S	S	*	*			trans	-64.8	122.1	160.7	-77.3	168.5	0	0	0	106.4	I685 I689	I685-L687 VanDerWaalsContact C-N 3.28Å; I685-L687 HydrophobicContact CG2-CD2 4.25Å; I685-L687 HydrophobicContact CG2-CG 3.94Å; I685-L687 PolarHBondContact O-N 3.12Å; L687-I689 PolarHBondContact O-N 3.34Å
688	P	26.6	Very low	30.7	Very low	97 Å²	97	155.6 Å²	155.6	63%	0.63	79%	0.786	S	S	*	*			trans	-62.6	115.6	174.6	24.7	-29.6	0	0	0	107.2	F686 F690	F686-P688 WeakPolarHBondContact O-CD 3.39Å; P688-F690 VanDerWaalsContact C-N 3.27Å; P688-F690 HydrophobicContact CG-CE2 4.47Å; P688-F690 PolarHBondContact O-N 3.45Å
689	I	27.6	Very low	30.4	Very low	163 Å²	163	156.1 Å²	156.1	84%	0.836	81%	0.809	S	S	*	*			trans	-60.9	100.6	164.9	-61.9	166.4	0	0	0	104.4	L687 A691	L687-I689 PolarHBondContact O-N 3.34Å; I689-A691 VanDerWaalsContact C-N 3.35Å; I689-A691 PolarHBondContact O-N 3.44Å
690	F	29.9	Very low	29.8	Very low	188 Å²	188	154.1 Å²	154.1	83%	0.825	81%	0.806	S	S	*	*			trans	-59	108	163.1	-83.2	-87.6	0	0	0	105.3	P688 S692	P688-F690 VanDerWaalsContact C-N 3.27Å; P688-F690 HydrophobicContact CG-CE2 4.47Å; P688-F690 PolarHBondContact O-N 3.45Å; F690-S692 VanDerWaalsContact C-N 3.26Å; F690-S692 PolarHBondContact O-N 3.33Å
691	A	28.8	Very low	29.7	Very low	93 Å²	93	153.8 Å²	153.8	77%	0.769	81%	0.812	S	S	*	*			trans	-56.7	96.9	167.1	0	0	0	0	0	107	I689 E693	I689-A691 VanDerWaalsContact C-N 3.35Å; I689-A691 PolarHBondContact O-N 3.44Å; A691-E693 PolarHBondContact O-N 2.84Å
692	S	30.8	Very low	29.6	Very low	113 Å²	113	154.7 Å²	154.7	79%	0.79	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-62.9	121.4	162.1	52.8	0	0	0	0	106.7	F690	F690-S692 VanDerWaalsContact C-N 3.26Å; F690-S692 PolarHBondContact O-N 3.33Å
693	E	32.3	Very low	29.8	Very low	176 Å²	176	156.6 Å²	156.6	82%	0.822	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-46.8	150.7	179.6	-71.6	173.5	155.3	0	0	113.7	A691 K695	A691-E693 PolarHBondContact O-N 2.84Å; E693-K695 PolarHBondContact O-N 3.25Å
694	P	34.4	Very low	29.7	Very low	127 Å²	127	155.5 Å²	155.5	83%	0.825	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-68.3	119.7	-172.8	27.5	-32.5	0	0	0	110.8	K696	P694-K696 PolarHBondContact O-N 3.31Å
695	K	34.8	Very low	29.9	Very low	210 Å²	210	160.1 Å²	160.1	91%	0.913	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-67.4	121.1	165.6	-75.6	-175	175.7	-177.2	0	108.5	E693	E693-K695 PolarHBondContact O-N 3.25Å
696	K	34.6	Very low	30.1	Very low	209 Å²	209	161.9 Å²	161.9	91%	0.909	85%	0.851	S	S	*	*			trans	-39.4	132.7	174.8	-71.5	171.2	171.5	179.1	0	113	P694	P694-K696 PolarHBondContact O-N 3.31Å
697	E	26.8	Very low	30.4	Very low	193 Å²	193	160.9 Å²	160.9	90%	0.902	86%	0.858	S	S	*	*			trans	-60.6	128.1	158.8	-66.2	172.9	160.6	0	0	109.6
698	M	25.5	Very low	30.8	Very low	179 Å²	179	162.3 Å²	162.3	88%	0.882	87%	0.867	S	S	*	*			trans	-173.1	128	144.6	-103.4	178.5	179	0	0	107.4
699	P	37.1	Very low	31.1	Very low	200 Å²	200	168.3 Å²	168.3	100%	1.299	89%	0.888	S	S	*	*			trans	-66.2	0	145.6	30.6	-29.9	0	0	0	110.6

Retrieved 699 of 699 residues in 630.5 ms (Link to these results)

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