A0A087XI64_POEFO Loading...

E3 ubiquitin-protein ligase

AlphaFold DB , UniProt , Accession A0A087XI64, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 773 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.3	Very low	74.5	Confident	240 Å²	240	59.5 Å²	59.5	100%	1.182	33%	0.327	S	S	*	.				0	135	0	-63.1	171.2	-178.4	0	0	107.4
2	L	38.8	Very low	76	Confident	179 Å²	179	60.3 Å²	60.3	94%	0.937	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-73	133.1	165.1	-74.2	166.8	0	0	0	107.8	A4	L2-A4 PolarHBondContact O-N 2.67Å
3	L	46.8	Very low	77.1	Confident	127 Å²	127	59 Å²	59	67%	0.665	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-70.3	122	167.9	-71.1	170.1	0	0	0	107.4	S5	L3-S5 PolarHBondContact O-N 2.65Å
4	A	61.3	Low	77.8	Confident	47 Å²	47	56.1 Å²	56.1	39%	0.388	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-69.7	118.3	172.3	0	0	0	0	0	108.3	L2 G165 L167	L2-A4 PolarHBondContact O-N 2.67Å; A4-G165 PolarHBondContact O-N 2.97Å; A4-G165 VanDerWaalsContact O-N 3.15Å; A4-L167 HydrophobicContact CB-CD1 3.63Å; A4-L167 HydrophobicContact CB-CG 3.86Å
5	S	78.1	Confident	77.8	Confident	53 Å²	53	62.5 Å²	62.5	37%	0.371	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.2	172.9	-66.9	0	0	0	0	108.7	L3 P82 V163 S164	L3-S5 PolarHBondContact O-N 2.65Å; S5-P82 WeakPolarHBondContact O-CD 3.49Å; S5-P82 WeakPolarHBondContact O-CG 3.17Å; S5-V163 WeakPolarHBondContact CA-O 3.37Å; S5-S164 PolarHBondContact OG-OG 3.19Å
6	A	87.8	Confident	77.8	Confident	4 Å²	4	68.3 Å²	68.3	3%	0.033	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	151.8	173.2	0	0	0	0	0	110.5	F79 Y80 V163 L167	A6-F79 HydrophobicContact CB-CB 4.22Å; A6-F79 HydrophobicContact CB-CD1 4.09Å; A6-Y80 CarbonylContact C-O 3.54Å; A6-Y80 WeakPolarHBondContact CA-O 3.43Å; A6-V163 PolarHBondContact N-O 2.66Å; A6-V163 PolarHBondContact O-N 3.45Å; A6-L167 HydrophobicContact CB-CD1 4.21Å; A6-L167 HydrophobicContact CB-CD2 3.59Å
7	V	91.5	Very high	77.9	Confident	0 Å²	0	67 Å²	67	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	127.8	170.7	177.8	0	0	0	0	108.1	V9 F79 Y80 P82 P86 G87 Y160 P161 L162	V7-V9 HydrophobicContact CG1-CG2 4.37Å; V7-F79 CarbonylContact O-C 3.5Å; V7-F79 WeakPolarHBondContact O-CA 3.25Å; V7-Y80 PolarHBondContact N-O 2.91Å; V7-Y80 PolarHBondContact O-N 3.25Å; V7-P82 HydrophobicContact CG2-CB 4.35Å; V7-P82 HydrophobicContact CG2-CG 4.42Å; V7-P86 HydrophobicContact CG1-CB 4.05Å; V7-P86 HydrophobicContact CG1-CG 4.36Å; V7-G87 VanDerWaalsContact CG2-CA 3.44Å; V7-Y160 VanDerWaalsContact CG1-CB 3.4Å; V7-P161 CarbonylContact C-O 3.51Å; V7-P161 WeakPolarHBondContact CA-O 3.48Å; V7-L162 HydrophobicContact CG2-CD2 3.56Å; V7-L162 HydrophobicContact CG2-CG 4.49Å
8	V	93	Very high	78.3	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.6	178.8	-175.6	0	0	0	0	110	E31 R77 S78 F79 P161 V163	V8-E31 HydrophobicContact CB-CG 4.49Å; V8-E31 HydrophobicContact CG1-CG 4.4Å; V8-E31 WeakPolarHBondContact CG1-OE1 3.46Å; V8-R77 HydrophobicContact CG1-CG 3.46Å; V8-R77 VanDerWaalsContact CG1-CG 3.46Å; V8-S78 WeakPolarHBondContact CA-O 3.2Å; V8-F79 HydrophobicContact CG2-CD1 3.84Å; V8-F79 HydrophobicContact CG2-CE1 3.74Å; V8-P161 PolarHBondContact N-O 3.01Å; V8-P161 WeakPolarHBondContact O-CD 3.46Å; V8-V163 HydrophobicContact CB-CG2 4.49Å; V8-V163 HydrophobicContact CG2-CB 3.9Å; V8-V163 HydrophobicContact CG2-CG2 3.57Å
9	V	94.2	Very high	78.9	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.9	172.5	-177.1	0	0	0	0	107.7	V7 E11 P21 S78 Y80 P86 T106 Y160	V7-V9 HydrophobicContact CG1-CG2 4.37Å; V9-E11 HydrophobicContact CG1-CG 3.79Å; V9-P21 HydrophobicContact CG1-CB 3.83Å; V9-S78 PolarHBondContact N-O 3.31Å; V9-S78 PolarHBondContact O-N 2.9Å; V9-Y80 HydrophobicContact CB-CD2 4.03Å; V9-Y80 HydrophobicContact CB-CE2 3.93Å; V9-Y80 HydrophobicContact CG2-CD2 3.62Å; V9-Y80 HydrophobicContact CG2-CE2 3.95Å; V9-P86 HydrophobicContact CG2-CB 3.88Å; V9-P86 HydrophobicContact CG2-CG 4.29Å; V9-T106 HydrophobicContact CG1-CG2 4.34Å; V9-T106 HydrophobicContact CG2-CG2 4.18Å; V9-Y160 HydrophobicContact CB-CD1 4.27Å; V9-Y160 HydrophobicContact CB-CE1 4.43Å; V9-Y160 HydrophobicContact CG1-CD1 4.14Å; V9-Y160 HydrophobicContact CG1-CE1 3.8Å; V9-Y160 HydrophobicContact CG2-CD1 3.78Å; V9-Y160 HydrophobicContact CG2-CD2 4.47Å; V9-Y160 HydrophobicContact CG2-CE1 4.17Å; V9-Y160 HydrophobicContact CG2-CG 3.95Å
10	W	93.9	Very high	79.5	Confident	4 Å²	4	67.4 Å²	67.4	2%	0.015	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.5	169.5	-77.5	81.5	0	0	0	109	Y22 C27 I30 E31 I34 L59 M62 V75 R76 R77	W10-Y22 HydrophobicContact CB-CD2 3.81Å; W10-Y22 WeakPolarHBondContact O-CD2 3.44Å; W10-Y22 PolarHBondContact O-N 3.21Å; W10-C27 PolarHBondContact N-SG 3.47Å; W10-C27 VanDerWaalsContact N-SG 3.44Å; W10-I30 HydrophobicContact CB-CD1 3.95Å; W10-I30 HydrophobicContact CD2-CB 4.48Å; W10-I30 HydrophobicContact CD2-CD1 4.27Å; W10-I30 HydrophobicContact CD2-CG2 3.68Å; W10-I30 HydrophobicContact CE3-CG2 4.18Å; W10-I30 HydrophobicContact CG-CB 4.43Å; W10-I30 HydrophobicContact CG-CD1 3.93Å; W10-I30 HydrophobicContact CG-CG2 4.12Å; W10-I30 HydrophobicContact CH2-CG2 4.16Å; W10-I30 HydrophobicContact CZ2-CG2 3.67Å; W10-I30 HydrophobicContact CZ3-CG2 4.39Å; W10-E31 PolarHBondContact NE1-OE1 2.87Å; W10-I34 HydrophobicContact CH2-CD1 3.95Å; W10-I34 HydrophobicContact CZ2-CD1 3.35Å; W10-L59 HydrophobicContact CH2-CD2 3.62Å; W10-L59 HydrophobicContact CZ2-CD2 4.38Å; W10-L59 HydrophobicContact CZ3-CD2 4.08Å; W10-M62 HydrophobicContact CH2-CE 3.86Å; W10-M62 HydrophobicContact CH2-SD 3.99Å; W10-M62 HydrophobicContact CZ3-CE 3.57Å; W10-M62 HydrophobicContact CZ3-SD 3.98Å; W10-V75 HydrophobicContact CE3-CG2 4.47Å; W10-V75 HydrophobicContact CZ3-CG2 4.18Å; W10-R76 WeakPolarHBondContact CA-O 3.28Å; W10-R77 HydrophobicContact CD2-CB 4.24Å; W10-R77 HydrophobicContact CD2-CG 4.38Å; W10-R77 HydrophobicContact CE3-CB 4.39Å; W10-R77 HydrophobicContact CH2-CB 3.95Å; W10-R77 HydrophobicContact CH2-CG 4.34Å; W10-R77 HydrophobicContact CZ2-CB 3.75Å; W10-R77 HydrophobicContact CZ2-CG 3.64Å; W10-R77 HydrophobicContact CZ3-CB 4.26Å
11	E	94.3	Very high	80.2	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	149.5	-175.2	-57.4	176.5	109.1	0	0	110.8	V9 W19 R20 P21 V75 R76 S78 T106	V9-E11 HydrophobicContact CG1-CG 3.79Å; E11-W19 HydrophobicContact CB-CB 4.32Å; E11-W19 HydrophobicContact CB-CE3 4.14Å; E11-R20 CarbonylContact C-O 3.48Å; E11-R20 WeakPolarHBondContact CA-O 3.37Å; E11-R20 WeakPolarHBondContact CB-O 3.11Å; E11-P21 HydrophobicContact CG-CB 4.46Å; E11-V75 CarbonylContact O-C 3.48Å; E11-V75 WeakPolarHBondContact O-CA 3.26Å; E11-V75 WeakPolarHBondContact O-CB 3.29Å; E11-R76 HydrophobicContact CB-CG 4.01Å; E11-R76 PolarHBondContact N-O 3.48Å; E11-R76 PolarHBondContact O-N 3Å; E11-R76 IonicContact OE1-NH2 2.72Å; E11-R76 IonicContact OE2-CZ 2.66Å; E11-R76 IonicContact OE2-NE 3.51Å; E11-R76 PolarHBondContact OE2-NE 3Å; E11-R76 IonicContact OE2-NH2 2.64Å; E11-R76 PolarHBondContact OE2-NH2 3.4Å; E11-S78 WeakPolarHBondContact OE2-CB 3.43Å; E11-S78 PolarHBondContact OE2-OG 2.72Å; E11-T106 WeakPolarHBondContact OE1-CB 3.16Å; E11-T106 PolarHBondContact OE1-OG1 3.36Å
12	W	92.7	Very high	82.7	Confident	69 Å²	69	53.8 Å²	53.8	26%	0.261	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.8	179.4	61.8	-85.1	0	0	0	111.6	N14 R20 Y22 P74 V75	W12-N14 HydrophobicContact CE3-CB 4.33Å; W12-N14 HydrophobicContact CH2-CB 4.19Å; W12-N14 HydrophobicContact CZ3-CB 3.72Å; W12-R20 HydrophobicContact CD2-CB 4.2Å; W12-R20 HydrophobicContact CZ2-CB 3.92Å; W12-R20 HydrophobicContact CZ2-CG 4.18Å; W12-R20 PolarHBondContact N-O 3.23Å; W12-R20 PolarHBondContact O-N 2.99Å; W12-Y22 HydrophobicContact CB-CE2 3.95Å; W12-Y22 AromaticContact CD1-CD1 3.83Å; W12-Y22 AromaticContact CD1-CE1 3.55Å; W12-Y22 AromaticContact CD1-CE2 3.89Å; W12-Y22 AromaticContact CD1-CZ 3.59Å; W12-Y22 HydrophobicContact CG-CE1 4.18Å; W12-Y22 HydrophobicContact CG-CE2 4.3Å; W12-Y22 AromaticContact CG-CZ 3.9Å; W12-P74 WeakPolarHBondContact CA-O 3.28Å; W12-V75 HydrophobicContact CB-CG1 4Å
13	L	91.2	Very high	85.2	Confident	43 Å²	43	47.4 Å²	47.4	23%	0.225	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	120.5	-177.5	-169.1	67.5	0	0	0	111.1	W19 P74	L13-W19 HydrophobicContact CB-CD2 4.42Å; L13-W19 HydrophobicContact CB-CE3 4.12Å; L13-W19 HydrophobicContact CB-CH2 4.13Å; L13-W19 HydrophobicContact CB-CZ2 4.4Å; L13-W19 HydrophobicContact CB-CZ3 3.96Å; L13-W19 HydrophobicContact CD1-CD2 3.99Å; L13-W19 HydrophobicContact CD1-CG 4.26Å; L13-W19 HydrophobicContact CD1-CZ2 4.21Å; L13-P74 HydrophobicContact CB-CB 4.16Å; L13-P74 HydrophobicContact CB-CG 4.37Å; L13-P74 HydrophobicContact CD2-CB 4.37Å; L13-P74 HydrophobicContact CD2-CG 3.98Å; L13-P74 PolarHBondContact N-O 2.87Å
14	N	85.9	Confident	87.3	Confident	19 Å²	19	41.4 Å²	41.4	10%	0.102	22%	0.216	C	C	.	.			trans	-84.1	172.7	175.9	76.2	27.1	0	0	0	112.5	W12 H16 G17 R18 R20	W12-N14 HydrophobicContact CE3-CB 4.33Å; W12-N14 HydrophobicContact CH2-CB 4.19Å; W12-N14 HydrophobicContact CZ3-CB 3.72Å; N14-H16 PolarHBondContact O-N 3.31Å; N14-H16 VanDerWaalsContact O-N 3.16Å; N14-H16 WeakPolarHBondContact OD1-CA 3.36Å; N14-H16 WeakPolarHBondContact OD1-CB 3.31Å; N14-H16 PolarHBondContact OD1-N 3.36Å; N14-G17 PolarHBondContact O-N 3.15Å; N14-G17 VanDerWaalsContact O-N 3.07Å; N14-G17 PolarHBondContact OD1-N 3.44Å; N14-R18 PolarHBondContact N-O 3.11Å; N14-R18 PolarHBondContact ND2-O 3.15Å; N14-R18 PolarHBondContact OD1-N 2.83Å; N14-R18 PolarHBondContact OD1-O 3.33Å; N14-R20 HydrophobicContact CB-CG 4.33Å
15	E	78.4	Confident	88.7	Confident	151 Å²	151	41.2 Å²	41.2	71%	0.706	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.4	-175.1	-57.1	177.9	-176.4	0	0	113.5	R73	E15-R73 VanDerWaalsContact CG-NH1 3.26Å; E15-R73 IonicContact OE1-CZ 2.71Å; E15-R73 IonicContact OE1-NH1 3.37Å; E15-R73 IonicContact OE1-NH2 3.6Å; E15-R73 PolarHBondContact OE1-NH2 2.83Å
16	H	76.9	Confident	89.3	Confident	155 Å²	155	38.7 Å²	38.7	72%	0.718	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	13.3	176.9	-47.5	-48.5	0	0	0	112.4	N14 R18	N14-H16 PolarHBondContact O-N 3.31Å; N14-H16 VanDerWaalsContact O-N 3.16Å; N14-H16 WeakPolarHBondContact OD1-CA 3.36Å; N14-H16 WeakPolarHBondContact OD1-CB 3.31Å; N14-H16 PolarHBondContact OD1-N 3.36Å; H16-R18 VanDerWaalsContact C-N 3.31Å; H16-R18 PolarHBondContact O-N 3.41Å
17	G	81	Confident	89.6	Confident	47 Å²	47	38.5 Å²	38.5	49%	0.485	20%	0.196	S	C	.	.	S	Bend	trans	65.9	30.6	-179.9	0	0	0	0	0	113.6	N14	N14-G17 PolarHBondContact O-N 3.15Å; N14-G17 VanDerWaalsContact O-N 3.07Å; N14-G17 PolarHBondContact OD1-N 3.44Å
18	R	84	Confident	89.6	Confident	99 Å²	99	42 Å²	42	37%	0.374	21%	0.212	S	C	.	.			trans	-115.4	144.1	175.5	-71.7	-66.9	-171.1	-77	2.1	110.9	N14 H16 G129	N14-R18 PolarHBondContact N-O 3.11Å; N14-R18 PolarHBondContact ND2-O 3.15Å; N14-R18 PolarHBondContact OD1-N 2.83Å; N14-R18 PolarHBondContact OD1-O 3.33Å; H16-R18 VanDerWaalsContact C-N 3.31Å; H16-R18 PolarHBondContact O-N 3.41Å; R18-G129 PolarHBondContact NH2-O 2.85Å
19	W	90.6	Very high	89.5	Confident	64 Å²	64	43.6 Å²	43.6	24%	0.242	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	120.5	-179	-70.2	98.9	0	0	0	109.8	E11 L13 P74 R76	E11-W19 HydrophobicContact CB-CB 4.32Å; E11-W19 HydrophobicContact CB-CE3 4.14Å; L13-W19 HydrophobicContact CB-CD2 4.42Å; L13-W19 HydrophobicContact CB-CE3 4.12Å; L13-W19 HydrophobicContact CB-CH2 4.13Å; L13-W19 HydrophobicContact CB-CZ2 4.4Å; L13-W19 HydrophobicContact CB-CZ3 3.96Å; L13-W19 HydrophobicContact CD1-CD2 3.99Å; L13-W19 HydrophobicContact CD1-CG 4.26Å; L13-W19 HydrophobicContact CD1-CZ2 4.21Å; W19-P74 HydrophobicContact CH2-CB 3.84Å; W19-P74 HydrophobicContact CZ3-CB 4.43Å; W19-P74 WeakPolarHBondContact CZ3-O 3.32Å; W19-R76 HydrophobicContact CD2-CG 4.07Å; W19-R76 HydrophobicContact CE3-CB 4.43Å; W19-R76 HydrophobicContact CE3-CG 3.65Å; W19-R76 HydrophobicContact CH2-CB 3.99Å; W19-R76 HydrophobicContact CH2-CG 4.04Å; W19-R76 HydrophobicContact CZ2-CG 4.44Å; W19-R76 HydrophobicContact CZ3-CB 3.91Å; W19-R76 HydrophobicContact CZ3-CG 3.64Å
20	R	91.1	Very high	89.4	Confident	46 Å²	46	43.6 Å²	43.6	17%	0.174	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.7	177	-67.6	-58.5	-157.1	-173.9	7.4	110.1	E11 W12 N14 A103 D105	E11-R20 CarbonylContact C-O 3.48Å; E11-R20 WeakPolarHBondContact CA-O 3.37Å; E11-R20 WeakPolarHBondContact CB-O 3.11Å; W12-R20 HydrophobicContact CD2-CB 4.2Å; W12-R20 HydrophobicContact CZ2-CB 3.92Å; W12-R20 HydrophobicContact CZ2-CG 4.18Å; W12-R20 PolarHBondContact N-O 3.23Å; W12-R20 PolarHBondContact O-N 2.99Å; N14-R20 HydrophobicContact CB-CG 4.33Å; R20-A103 PolarHBondContact NH1-O 3.39Å; R20-A103 VanDerWaalsContact NH1-O 3.11Å; R20-D105 WeakPolarHBondContact CD-OD1 3.36Å; R20-D105 IonicContact CZ-OD1 3.66Å; R20-D105 IonicContact NE-OD1 2.98Å; R20-D105 IonicContact NH1-OD1 3.18Å; R20-D105 PolarHBondContact NH1-OD1 3.22Å
21	P	93.4	Very high	89.3	Confident	15 Å²	15	43.7 Å²	43.7	10%	0.097	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	145.1	172	27.7	-33.8	0	0	0	111.5	V9 E11 A103	V9-P21 HydrophobicContact CG1-CB 3.83Å; E11-P21 HydrophobicContact CG-CB 4.46Å; P21-A103 HydrophobicContact CG-CB 4.4Å
22	Y	92.8	Very high	89	Confident	6 Å²	6	45.8 Å²	45.8	2%	0.024	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-72.5	159	156.1	-70.2	-71.3	0	0	0	109.8	W10 W12 V26 I30 L45 L52 I57 Q64 V75 Y160	W10-Y22 HydrophobicContact CB-CD2 3.81Å; W10-Y22 WeakPolarHBondContact O-CD2 3.44Å; W10-Y22 PolarHBondContact O-N 3.21Å; W12-Y22 HydrophobicContact CB-CE2 3.95Å; W12-Y22 AromaticContact CD1-CD1 3.83Å; W12-Y22 AromaticContact CD1-CE1 3.55Å; W12-Y22 AromaticContact CD1-CE2 3.89Å; W12-Y22 AromaticContact CD1-CZ 3.59Å; W12-Y22 HydrophobicContact CG-CE1 4.18Å; W12-Y22 HydrophobicContact CG-CE2 4.3Å; W12-Y22 AromaticContact CG-CZ 3.9Å; Y22-V26 HydrophobicContact CD1-CG1 4.01Å; Y22-V26 HydrophobicContact CG-CG1 3.97Å; Y22-I30 HydrophobicContact CD2-CD1 4.41Å; Y22-L45 HydrophobicContact CD1-CD1 4.34Å; Y22-L45 HydrophobicContact CE1-CD1 3.65Å; Y22-L52 HydrophobicContact CD1-CD1 4.14Å; Y22-L52 HydrophobicContact CE1-CD1 4.41Å; Y22-I57 HydrophobicContact CE2-CD1 3.72Å; Y22-Q64 WeakPolarHBondContact OH-CB 2.95Å; Y22-Q64 WeakPolarHBondContact OH-CG 3.39Å; Y22-Q64 PolarHBondContact OH-NE2 2.85Å; Y22-V75 HydrophobicContact CE2-CG1 4.01Å; Y22-V75 WeakPolarHBondContact OH-CG1 3.37Å; Y22-Y160 WeakPolarHBondContact O-CE1 3.22Å; Y22-Y160 PolarHBondContact O-OH 3Å
23	S	90.7	Very high	88.7	Confident	45 Å²	45	43.8 Å²	43.8	32%	0.315	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-60.8	155.1	174.7	62.4	0	0	0	0	111.5	A25 V26 C27	S23-A25 VanDerWaalsContact C-N 3.28Å; S23-A25 PolarHBondContact O-N 2.93Å; S23-V26 PolarHBondContact O-N 2.8Å; S23-V26 VanDerWaalsContact O-N 3.08Å; S23-V26 VanDerWaalsContact OG-CG2 3.31Å; S23-V26 WeakPolarHBondContact OG-CG2 3.49Å; S23-C27 PolarHBondContact O-N 3.04Å; S23-C27 PolarHBondContact O-SG 3.38Å; S23-C27 VanDerWaalsContact O-SG 3.39Å
24	P	91.1	Very high	88.5	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.013	23%	0.233	C	C	.	.	H	α-helix	trans	-56.8	-41.4	-178.5	-21.9	28.9	0	0	0	112.7	V26 C27 H28 D157 L158 Y160	P24-V26 VanDerWaalsContact C-N 3.33Å; P24-V26 PolarHBondContact O-N 3.11Å; P24-C27 WeakPolarHBondContact O-CB 3.4Å; P24-C27 PolarHBondContact O-N 3.36Å; P24-C27 VanDerWaalsContact O-N 3.15Å; P24-H28 PolarHBondContact O-CD2 3.4Å; P24-H28 VanDerWaalsContact O-CD2 3.25Å; P24-H28 PolarHBondContact O-N 3.25Å; P24-D157 HydrophobicContact CG-CB 4.49Å; P24-L158 HydrophobicContact CB-CB 4.02Å; P24-L158 HydrophobicContact CB-CD2 4.49Å; P24-L158 HydrophobicContact CB-CG 4.25Å; P24-L158 WeakPolarHBondContact CB-O 3.45Å; P24-L158 WeakPolarHBondContact CG-O 3.21Å; P24-Y160 HydrophobicContact CB-CD1 4.27Å; P24-Y160 HydrophobicContact CB-CD2 4.26Å; P24-Y160 HydrophobicContact CB-CE1 4.34Å; P24-Y160 HydrophobicContact CB-CE2 4.37Å; P24-Y160 HydrophobicContact CB-CG 4.24Å; P24-Y160 HydrophobicContact CG-CD2 4.03Å; P24-Y160 HydrophobicContact CG-CE1 4.2Å; P24-Y160 HydrophobicContact CG-CE2 3.71Å; P24-Y160 HydrophobicContact CG-CG 4.46Å
25	A	89.9	Confident	88.5	Confident	43 Å²	43	50.5 Å²	50.5	36%	0.355	26%	0.256	S	S	.	.	H	α-helix	trans	-59.5	-40.5	177.1	0	0	0	0	0	112.9	S23 H28 H29 V48	S23-A25 VanDerWaalsContact C-N 3.28Å; S23-A25 PolarHBondContact O-N 2.93Å; A25-H28 PolarHBondContact O-N 3.35Å; A25-H29 PolarHBondContact O-N 3.03Å; A25-H29 VanDerWaalsContact O-N 3.1Å; A25-V48 HydrophobicContact CB-CG1 3.9Å
26	V	91.7	Very high	88.6	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68.2	-39.5	175.7	170.8	0	0	0	0	110.7	Y22 S23 P24 H29 I30 L45 V48 D49 L52	Y22-V26 HydrophobicContact CD1-CG1 4.01Å; Y22-V26 HydrophobicContact CG-CG1 3.97Å; S23-V26 PolarHBondContact O-N 2.8Å; S23-V26 VanDerWaalsContact O-N 3.08Å; S23-V26 VanDerWaalsContact OG-CG2 3.31Å; S23-V26 WeakPolarHBondContact OG-CG2 3.49Å; P24-V26 VanDerWaalsContact C-N 3.33Å; P24-V26 PolarHBondContact O-N 3.11Å; V26-H29 PolarHBondContact O-N 3.09Å; V26-I30 HydrophobicContact CG1-CD1 3.85Å; V26-I30 HydrophobicContact CG1-CG1 4.48Å; V26-I30 WeakPolarHBondContact O-CD1 3.25Å; V26-I30 VanDerWaalsContact O-CG1 3.3Å; V26-I30 WeakPolarHBondContact O-CG1 3.46Å; V26-I30 PolarHBondContact O-N 3.45Å; V26-L45 HydrophobicContact CG1-CD2 4.05Å; V26-V48 HydrophobicContact CG2-CB 4.2Å; V26-V48 HydrophobicContact CG2-CG1 3.97Å; V26-D49 HydrophobicContact CG2-CB 4.27Å; V26-L52 HydrophobicContact CG1-CD1 4.4Å; V26-L52 HydrophobicContact CG2-CD1 3.96Å
27	C	93	Very high	88.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-43.3	173.9	-62.5	0	0	0	0	112.1	W10 S23 P24 H29 I30 E31 Y160 P161	W10-C27 PolarHBondContact N-SG 3.47Å; W10-C27 VanDerWaalsContact N-SG 3.44Å; S23-C27 PolarHBondContact O-N 3.04Å; S23-C27 PolarHBondContact O-SG 3.38Å; S23-C27 VanDerWaalsContact O-SG 3.39Å; P24-C27 WeakPolarHBondContact O-CB 3.4Å; P24-C27 PolarHBondContact O-N 3.36Å; P24-C27 VanDerWaalsContact O-N 3.15Å; C27-H29 VanDerWaalsContact C-N 3.33Å; C27-H29 PolarHBondContact O-N 3.18Å; C27-I30 PolarHBondContact O-N 3.31Å; C27-E31 WeakPolarHBondContact O-CB 3.42Å; C27-E31 WeakPolarHBondContact O-CG 3.24Å; C27-E31 PolarHBondContact O-N 3.12Å; C27-Y160 HydrophobicContact CB-CD1 3.97Å; C27-Y160 HydrophobicContact CB-CE1 4.4Å; C27-P161 HydrophobicContact CB-CG 3.9Å
28	H	92.1	Very high	88.2	Confident	73 Å²	73	46.7 Å²	46.7	34%	0.338	25%	0.249	S	C	.	.	H	α-helix	trans	-59.1	-41.7	174.8	-87	-80.2	0	0	0	112.4	P24 A25 A32 A159 P161	P24-H28 PolarHBondContact O-CD2 3.4Å; P24-H28 VanDerWaalsContact O-CD2 3.25Å; P24-H28 PolarHBondContact O-N 3.25Å; A25-H28 PolarHBondContact O-N 3.35Å; H28-A32 VanDerWaalsContact O-CB 3.25Å; H28-A32 WeakPolarHBondContact O-CB 3.31Å; H28-A32 PolarHBondContact O-N 3.02Å; H28-A159 PolarHBondContact NE2-O 2.99Å; H28-P161 HydrophobicContact CB-CG 4.22Å
29	H	91.1	Very high	87.4	Confident	34 Å²	34	52 Å²	52	16%	0.157	27%	0.269	C	S	.	.	H	α-helix	trans	-67.2	-44.6	176.6	173.6	81.8	0	0	0	113	A25 V26 C27 E31 A32 V33 V43 Q47 V48	A25-H29 PolarHBondContact O-N 3.03Å; A25-H29 VanDerWaalsContact O-N 3.1Å; V26-H29 PolarHBondContact O-N 3.09Å; C27-H29 VanDerWaalsContact C-N 3.33Å; C27-H29 PolarHBondContact O-N 3.18Å; H29-E31 VanDerWaalsContact C-N 3.33Å; H29-E31 PolarHBondContact O-N 3.2Å; H29-A32 PolarHBondContact O-N 2.95Å; H29-V33 WeakPolarHBondContact O-CG2 3.39Å; H29-V33 PolarHBondContact O-N 2.94Å; H29-V43 VanDerWaalsContact CD2-CG1 3.44Å; H29-V43 WeakPolarHBondContact CD2-CG1 3.44Å; H29-V43 WeakPolarHBondContact NE2-CG1 3.44Å; H29-Q47 PolarHBondContact CE1-OE1 3.47Å; H29-Q47 VanDerWaalsContact CE1-OE1 3.29Å; H29-V48 HydrophobicContact CB-CG2 3.51Å; H29-V48 VanDerWaalsContact CG-CG2 3.47Å
30	I	91.1	Very high	86.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59	-47.1	176.7	-63.4	158.5	0	0	0	110.2	W10 Y22 V26 C27 A32 V33 I34 V43 L45 I57 L59	W10-I30 HydrophobicContact CB-CD1 3.95Å; W10-I30 HydrophobicContact CD2-CB 4.48Å; W10-I30 HydrophobicContact CD2-CD1 4.27Å; W10-I30 HydrophobicContact CD2-CG2 3.68Å; W10-I30 HydrophobicContact CE3-CG2 4.18Å; W10-I30 HydrophobicContact CG-CB 4.43Å; W10-I30 HydrophobicContact CG-CD1 3.93Å; W10-I30 HydrophobicContact CG-CG2 4.12Å; W10-I30 HydrophobicContact CH2-CG2 4.16Å; W10-I30 HydrophobicContact CZ2-CG2 3.67Å; W10-I30 HydrophobicContact CZ3-CG2 4.39Å; Y22-I30 HydrophobicContact CD2-CD1 4.41Å; V26-I30 HydrophobicContact CG1-CD1 3.85Å; V26-I30 HydrophobicContact CG1-CG1 4.48Å; V26-I30 WeakPolarHBondContact O-CD1 3.25Å; V26-I30 VanDerWaalsContact O-CG1 3.3Å; V26-I30 WeakPolarHBondContact O-CG1 3.46Å; V26-I30 PolarHBondContact O-N 3.45Å; C27-I30 PolarHBondContact O-N 3.31Å; I30-A32 PolarHBondContact O-N 3.47Å; I30-V33 PolarHBondContact O-N 3.44Å; I30-I34 HydrophobicContact CG2-CD1 3.77Å; I30-I34 WeakPolarHBondContact O-CD1 3.37Å; I30-I34 VanDerWaalsContact O-CG1 3.29Å; I30-I34 WeakPolarHBondContact O-CG1 3.3Å; I30-I34 PolarHBondContact O-N 3.5Å; I30-V43 HydrophobicContact CG1-CG1 4.05Å; I30-V43 HydrophobicContact CG2-CG2 4.4Å; I30-L45 HydrophobicContact CD1-CD2 4.19Å; I30-L45 HydrophobicContact CG1-CD2 4.15Å; I30-I57 HydrophobicContact CD1-CD1 3.62Å; I30-I57 HydrophobicContact CG1-CD1 4.28Å; I30-L59 HydrophobicContact CG2-CD2 4.42Å
31	E	91.7	Very high	85.7	Confident	5 Å²	5	49.3 Å²	49.3	2%	0.023	27%	0.27	C	S	.	.	H	α-helix	trans	-64.4	-35.6	176.2	-72.9	-64.2	130.6	0	0	113.2	V8 W10 C27 H29 R35 R77 P161 V163	V8-E31 HydrophobicContact CB-CG 4.49Å; V8-E31 HydrophobicContact CG1-CG 4.4Å; V8-E31 WeakPolarHBondContact CG1-OE1 3.46Å; W10-E31 PolarHBondContact NE1-OE1 2.87Å; C27-E31 WeakPolarHBondContact O-CB 3.42Å; C27-E31 WeakPolarHBondContact O-CG 3.24Å; C27-E31 PolarHBondContact O-N 3.12Å; H29-E31 VanDerWaalsContact C-N 3.33Å; H29-E31 PolarHBondContact O-N 3.2Å; E31-R35 WeakPolarHBondContact O-CB 3.41Å; E31-R35 PolarHBondContact O-N 2.9Å; E31-R77 VanDerWaalsContact CD-NH2 3.3Å; E31-R77 IonicContact OE1-CZ 3.79Å; E31-R77 IonicContact OE1-NE 2.71Å; E31-R77 PolarHBondContact OE1-NE 2.93Å; E31-R77 IonicContact OE1-NH2 3.8Å; E31-R77 PolarHBondContact OE1-NH2 2.84Å; E31-R77 VanDerWaalsContact OE1-NH2 3.12Å; E31-R77 IonicContact OE2-CZ 3.67Å; E31-R77 IonicContact OE2-NE 2.69Å; E31-R77 IonicContact OE2-NH2 2.7Å; E31-R77 PolarHBondContact OE2-NH2 2.76Å; E31-P161 HydrophobicContact CB-CB 4.29Å; E31-P161 HydrophobicContact CB-CG 4.41Å; E31-P161 HydrophobicContact CG-CB 3.89Å; E31-P161 HydrophobicContact CG-CG 4.03Å; E31-V163 WeakPolarHBondContact OE2-CG2 3.29Å
32	A	88.4	Confident	85.4	Confident	45 Å²	45	51 Å²	51	37%	0.372	28%	0.282	S	S	.	.	H	α-helix	trans	-68	-39	175.9	0	0	0	0	0	112.3	H28 H29 I30 R35 S36	H28-A32 VanDerWaalsContact O-CB 3.25Å; H28-A32 WeakPolarHBondContact O-CB 3.31Å; H28-A32 PolarHBondContact O-N 3.02Å; H29-A32 PolarHBondContact O-N 2.95Å; I30-A32 PolarHBondContact O-N 3.47Å; A32-R35 PolarHBondContact O-N 3.39Å; A32-S36 WeakPolarHBondContact O-CB 3.39Å; A32-S36 PolarHBondContact O-N 3.04Å; A32-S36 PolarHBondContact O-OG 3.46Å
33	V	87.5	Confident	85.1	Confident	28 Å²	28	50.8 Å²	50.8	17%	0.17	28%	0.281	C	S	.	.	H	α-helix	trans	-67.1	-45.6	175.7	174.9	0	0	0	0	110.9	H29 I30 R35 S36 D37 C40 V43	H29-V33 WeakPolarHBondContact O-CG2 3.39Å; H29-V33 PolarHBondContact O-N 2.94Å; I30-V33 PolarHBondContact O-N 3.44Å; V33-R35 VanDerWaalsContact C-N 3.27Å; V33-R35 PolarHBondContact O-N 3.22Å; V33-S36 WeakPolarHBondContact CA-OG 3.42Å; V33-S36 PolarHBondContact O-N 2.75Å; V33-S36 PolarHBondContact O-OG 2.92Å; V33-D37 PolarHBondContact O-N 2.87Å; V33-C40 HydrophobicContact CG1-CB 4.07Å; V33-C40 VanDerWaalsContact CG1-SG 3.59Å; V33-V43 HydrophobicContact CB-CG2 4.17Å; V33-V43 HydrophobicContact CG1-CG2 3.96Å; V33-V43 HydrophobicContact CG2-CG1 4.29Å
34	I	86.8	Confident	85	Confident	45 Å²	45	51.1 Å²	51.1	23%	0.231	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-37.9	175.8	-68.6	166	0	0	0	111.8	W10 I30 L59	W10-I34 HydrophobicContact CH2-CD1 3.95Å; W10-I34 HydrophobicContact CZ2-CD1 3.35Å; I30-I34 HydrophobicContact CG2-CD1 3.77Å; I30-I34 WeakPolarHBondContact O-CD1 3.37Å; I30-I34 VanDerWaalsContact O-CG1 3.29Å; I30-I34 WeakPolarHBondContact O-CG1 3.3Å; I30-I34 PolarHBondContact O-N 3.5Å; I34-L59 HydrophobicContact CD1-CD1 4.22Å; I34-L59 HydrophobicContact CD1-CD2 3.91Å; I34-L59 HydrophobicContact CG1-CD1 3.62Å; I34-L59 HydrophobicContact CG1-CD2 4.26Å
35	R	84.6	Confident	84.7	Confident	157 Å²	157	51 Å²	51	59%	0.592	28%	0.281	S	S	*	.	H	α-helix	trans	-75.4	-27.3	179.9	-168.2	-179.8	-57.1	128.2	7.9	113.5	E31 A32 V33	E31-R35 WeakPolarHBondContact O-CB 3.41Å; E31-R35 PolarHBondContact O-N 2.9Å; A32-R35 PolarHBondContact O-N 3.39Å; V33-R35 VanDerWaalsContact C-N 3.27Å; V33-R35 PolarHBondContact O-N 3.22Å
36	S	82.4	Confident	84.4	Confident	97 Å²	97	50.3 Å²	50.3	68%	0.678	28%	0.278	S	S	*	.	H	α-helix	trans	-91.5	-33.9	-176.6	51	0	0	0	0	113.8	A32 V33	A32-S36 WeakPolarHBondContact O-CB 3.39Å; A32-S36 PolarHBondContact O-N 3.04Å; A32-S36 PolarHBondContact O-OG 3.46Å; V33-S36 WeakPolarHBondContact CA-OG 3.42Å; V33-S36 PolarHBondContact O-N 2.75Å; V33-S36 PolarHBondContact O-OG 2.92Å
37	D	78.9	Confident	83.8	Confident	62 Å²	62	57.3 Å²	57.3	33%	0.332	31%	0.311	S	S	.	.			trans	-138.7	100.6	164.8	177.6	23.7	0	0	0	111.1	V33 R39 C40	V33-D37 PolarHBondContact O-N 2.87Å; D37-R39 PolarHBondContact O-N 3.09Å; D37-R39 WeakPolarHBondContact OD1-CB 3.11Å; D37-R39 PolarHBondContact OD1-N 3.18Å; D37-R39 IonicContact OD1-NE 3.78Å; D37-C40 HydrophobicContact CB-CB 4.01Å; D37-C40 WeakPolarHBondContact O-CB 3.44Å; D37-C40 PolarHBondContact O-N 2.86Å; D37-C40 PolarHBondContact OD2-N 2.88Å
38	P	70.1	Confident	83.4	Confident	115 Å²	115	60.2 Å²	60.2	75%	0.747	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-6.1	174.5	-25.9	36	0	0	0	115.4
39	R	67.7	Low	83	Confident	210 Å²	210	57.8 Å²	57.8	79%	0.792	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	1.2	171.9	-58.7	172.3	-63.4	-170.1	-0.1	112.6	D37 G41	D37-R39 PolarHBondContact O-N 3.09Å; D37-R39 WeakPolarHBondContact OD1-CB 3.11Å; D37-R39 PolarHBondContact OD1-N 3.18Å; D37-R39 IonicContact OD1-NE 3.78Å; R39-G41 PolarHBondContact O-N 3.41Å; R39-G41 VanDerWaalsContact O-N 3.07Å
40	C	71.4	Confident	82.5	Confident	33 Å²	33	60.7 Å²	60.7	22%	0.223	34%	0.342	C	S	.	.			trans	-66.8	109.4	175.8	-175.5	0	0	0	0	109.3	V33 D37 S42 L59	V33-C40 HydrophobicContact CG1-CB 4.07Å; V33-C40 VanDerWaalsContact CG1-SG 3.59Å; D37-C40 HydrophobicContact CB-CB 4.01Å; D37-C40 WeakPolarHBondContact O-CB 3.44Å; D37-C40 PolarHBondContact O-N 2.86Å; D37-C40 PolarHBondContact OD2-N 2.88Å; C40-S42 VanDerWaalsContact C-N 3.31Å; C40-S42 PolarHBondContact O-N 3.31Å; C40-S42 PolarHBondContact SG-O 3.16Å; C40-S42 VanDerWaalsContact SG-O 3.35Å; C40-L59 WeakPolarHBondContact O-CD1 3.44Å
41	G	73.4	Confident	82.2	Confident	21 Å²	21	69.8 Å²	69.8	22%	0.216	38%	0.376	C	S	.	.			trans	-78.7	-7.8	-179.2	0	0	0	0	0	115.3	R39 D58 L59 H60	R39-G41 PolarHBondContact O-N 3.41Å; R39-G41 VanDerWaalsContact O-N 3.07Å; G41-D58 WeakPolarHBondContact O-CA 3.32Å; G41-D58 VanDerWaalsContact O-OD1 3.07Å; G41-L59 PolarHBondContact O-N 3.48Å; G41-H60 VanDerWaalsContact CA-CE1 3.42Å; G41-H60 WeakPolarHBondContact CA-CE1 3.47Å; G41-H60 VanDerWaalsContact CA-ND1 3.31Å; G41-H60 WeakPolarHBondContact CA-ND1 3.49Å
42	S	86.3	Confident	81.9	Confident	49 Å²	49	71 Å²	71	34%	0.343	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	129.3	-168.8	61.2	0	0	0	0	114.5	C40 I57	C40-S42 VanDerWaalsContact C-N 3.31Å; C40-S42 PolarHBondContact O-N 3.31Å; C40-S42 PolarHBondContact SG-O 3.16Å; C40-S42 VanDerWaalsContact SG-O 3.35Å; S42-I57 CarbonylContact C-O 3.55Å; S42-I57 WeakPolarHBondContact CA-O 3.47Å
43	V	88.1	Confident	81.6	Confident	2 Å²	2	72 Å²	72	1%	0.012	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.5	177.2	-171	0	0	0	0	110.5	H29 I30 V33 L45 I56 I57 L59	H29-V43 VanDerWaalsContact CD2-CG1 3.44Å; H29-V43 WeakPolarHBondContact CD2-CG1 3.44Å; H29-V43 WeakPolarHBondContact NE2-CG1 3.44Å; I30-V43 HydrophobicContact CG1-CG1 4.05Å; I30-V43 HydrophobicContact CG2-CG2 4.4Å; V33-V43 HydrophobicContact CB-CG2 4.17Å; V33-V43 HydrophobicContact CG1-CG2 3.96Å; V33-V43 HydrophobicContact CG2-CG1 4.29Å; V43-L45 HydrophobicContact CG1-CD2 4.28Å; V43-I56 CarbonylContact O-C 3.54Å; V43-I56 VanDerWaalsContact O-CA 3.3Å; V43-I56 WeakPolarHBondContact O-CA 3.19Å; V43-I56 WeakPolarHBondContact O-CG2 3.49Å; V43-I57 PolarHBondContact N-O 3.38Å; V43-I57 PolarHBondContact O-N 2.78Å; V43-L59 HydrophobicContact CG2-CD1 3.61Å; V43-L59 HydrophobicContact CG2-CD2 4.32Å; V43-L59 HydrophobicContact CG2-CG 4.04Å
44	V	87.3	Confident	81.4	Confident	53 Å²	53	72 Å²	72	32%	0.321	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	106.5	-178.3	-177.5	0	0	0	0	110	G46 Q47 I56	V44-G46 PolarHBondContact O-N 2.98Å; V44-Q47 PolarHBondContact O-N 3.33Å; V44-I56 HydrophobicContact CG1-CG1 4.47Å; V44-I56 HydrophobicContact CG2-CD1 4.26Å; V44-I56 HydrophobicContact CG2-CG1 4.18Å; V44-I56 HydrophobicContact CG2-CG2 4.5Å
45	L	86.1	Confident	81.3	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-69.7	-22.5	-169.3	-53.5	-172.6	0	0	0	113.5	Y22 V26 I30 V43 Q47 V48 D49 L52 Y55 I57	Y22-L45 HydrophobicContact CD1-CD1 4.34Å; Y22-L45 HydrophobicContact CE1-CD1 3.65Å; V26-L45 HydrophobicContact CG1-CD2 4.05Å; I30-L45 HydrophobicContact CD1-CD2 4.19Å; I30-L45 HydrophobicContact CG1-CD2 4.15Å; V43-L45 HydrophobicContact CG1-CD2 4.28Å; L45-Q47 PolarHBondContact O-N 3.35Å; L45-Q47 VanDerWaalsContact O-N 3.07Å; L45-V48 PolarHBondContact O-N 3.41Å; L45-V48 VanDerWaalsContact O-N 3.11Å; L45-D49 PolarHBondContact O-N 3.48Å; L45-L52 HydrophobicContact CB-CB 3.66Å; L45-L52 HydrophobicContact CB-CD1 4.23Å; L45-L52 HydrophobicContact CD1-CB 4.46Å; L45-L52 HydrophobicContact CD1-CD1 4.14Å; L45-Y55 PolarHBondContact N-O 3.21Å; L45-Y55 VanDerWaalsContact N-O 3.12Å; L45-I57 HydrophobicContact CD1-CD1 4.16Å; L45-I57 HydrophobicContact CD1-CG1 4.1Å; L45-I57 HydrophobicContact CD2-CD1 3.87Å; L45-I57 HydrophobicContact CD2-CG1 4.06Å; L45-I57 HydrophobicContact CG-CG1 4.32Å
46	G	82.4	Confident	81.5	Confident	28 Å²	28	66.1 Å²	66.1	29%	0.289	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-59.1	-13.8	175.8	0	0	0	0	0	116.3	V44 V48 L52	V44-G46 PolarHBondContact O-N 2.98Å; G46-V48 PolarHBondContact O-N 3.26Å; G46-L52 PolarHBondContact N-O 3.05Å
47	Q	80.1	Confident	81.9	Confident	147 Å²	147	61.5 Å²	61.5	69%	0.687	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-74.4	-12.7	175.3	-63.3	-172.9	-9	0	0	113.1	H29 V44 L45	H29-Q47 PolarHBondContact CE1-OE1 3.47Å; H29-Q47 VanDerWaalsContact CE1-OE1 3.29Å; V44-Q47 PolarHBondContact O-N 3.33Å; L45-Q47 PolarHBondContact O-N 3.35Å; L45-Q47 VanDerWaalsContact O-N 3.07Å
48	V	85	Confident	82.3	Confident	61 Å²	61	61.1 Å²	61.1	37%	0.37	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	-39.4	-174.8	-176	0	0	0	0	112.5	A25 V26 H29 L45 G46	A25-V48 HydrophobicContact CB-CG1 3.9Å; V26-V48 HydrophobicContact CG2-CB 4.2Å; V26-V48 HydrophobicContact CG2-CG1 3.97Å; H29-V48 HydrophobicContact CB-CG2 3.51Å; H29-V48 VanDerWaalsContact CG-CG2 3.47Å; L45-V48 PolarHBondContact O-N 3.41Å; L45-V48 VanDerWaalsContact O-N 3.11Å; G46-V48 PolarHBondContact O-N 3.26Å
49	D	83.5	Confident	83	Confident	21 Å²	21	57.2 Å²	57.2	11%	0.112	30%	0.303	C	S	.	.			trans	-128.5	115.9	175.4	-171	-26.7	0	0	0	109	V26 L45 R51 L52 S53	V26-D49 HydrophobicContact CG2-CB 4.27Å; L45-D49 PolarHBondContact O-N 3.48Å; D49-R51 PolarHBondContact O-N 2.87Å; D49-R51 WeakPolarHBondContact OD1-CB 3.38Å; D49-R51 WeakPolarHBondContact OD1-CG 3.2Å; D49-R51 IonicContact OD1-CZ 2.82Å; D49-R51 PolarHBondContact OD1-N 3.14Å; D49-R51 IonicContact OD1-NE 2.64Å; D49-R51 PolarHBondContact OD1-NE 2.89Å; D49-R51 IonicContact OD1-NH2 2.88Å; D49-R51 IonicContact OD2-CZ 3.78Å; D49-R51 IonicContact OD2-NE 2.85Å; D49-R51 PolarHBondContact OD2-NE 3.48Å; D49-R51 IonicContact OD2-NH2 2.74Å; D49-R51 PolarHBondContact OD2-NH2 2.78Å; D49-L52 HydrophobicContact CB-CB 4.16Å; D49-L52 HydrophobicContact CB-CD1 4.05Å; D49-L52 HydrophobicContact CB-CG 3.97Å; D49-L52 CarbonylContact O-C 3.52Å; D49-L52 WeakPolarHBondContact O-CA 3.34Å; D49-L52 WeakPolarHBondContact O-CB 3.45Å; D49-L52 PolarHBondContact O-N 3.2Å; D49-S53 PolarHBondContact O-N 3.27Å
50	S	80.9	Confident	83.7	Confident	96 Å²	96	54.2 Å²	54.2	67%	0.671	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-62.8	-25.1	-179.5	57	0	0	0	0	112.7	L52 S53	S50-L52 PolarHBondContact O-N 2.91Å; S50-S53 WeakPolarHBondContact O-CB 3.13Å; S50-S53 PolarHBondContact O-N 2.93Å; S50-S53 PolarHBondContact O-OG 2.76Å
51	R	83.1	Confident	84.3	Confident	191 Å²	191	55.3 Å²	55.3	72%	0.721	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-70.8	-22.8	172.7	-51.4	171.5	-64.5	176.9	3.4	111.8	D49	D49-R51 PolarHBondContact O-N 2.87Å; D49-R51 WeakPolarHBondContact OD1-CB 3.38Å; D49-R51 WeakPolarHBondContact OD1-CG 3.2Å; D49-R51 IonicContact OD1-CZ 2.82Å; D49-R51 PolarHBondContact OD1-N 3.14Å; D49-R51 IonicContact OD1-NE 2.64Å; D49-R51 PolarHBondContact OD1-NE 2.89Å; D49-R51 IonicContact OD1-NH2 2.88Å; D49-R51 IonicContact OD2-CZ 3.78Å; D49-R51 IonicContact OD2-NE 2.85Å; D49-R51 PolarHBondContact OD2-NE 3.48Å; D49-R51 IonicContact OD2-NH2 2.74Å; D49-R51 PolarHBondContact OD2-NH2 2.78Å
52	L	86	Confident	85.1	Confident	30 Å²	30	57.2 Å²	57.2	16%	0.157	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-94	9.2	173.9	-57.7	-177.9	0	0	0	113.1	Y22 V26 L45 G46 D49 S50 P54 Y55	Y22-L52 HydrophobicContact CD1-CD1 4.14Å; Y22-L52 HydrophobicContact CE1-CD1 4.41Å; V26-L52 HydrophobicContact CG1-CD1 4.4Å; V26-L52 HydrophobicContact CG2-CD1 3.96Å; L45-L52 HydrophobicContact CB-CB 3.66Å; L45-L52 HydrophobicContact CB-CD1 4.23Å; L45-L52 HydrophobicContact CD1-CB 4.46Å; L45-L52 HydrophobicContact CD1-CD1 4.14Å; G46-L52 PolarHBondContact N-O 3.05Å; D49-L52 HydrophobicContact CB-CB 4.16Å; D49-L52 HydrophobicContact CB-CD1 4.05Å; D49-L52 HydrophobicContact CB-CG 3.97Å; D49-L52 CarbonylContact O-C 3.52Å; D49-L52 WeakPolarHBondContact O-CA 3.34Å; D49-L52 WeakPolarHBondContact O-CB 3.45Å; D49-L52 PolarHBondContact O-N 3.2Å; S50-L52 PolarHBondContact O-N 2.91Å; L52-P54 VanDerWaalsContact C-CD 3.48Å; L52-Y55 HydrophobicContact CB-CD2 4.33Å; L52-Y55 HydrophobicContact CD2-CD2 4.06Å; L52-Y55 HydrophobicContact CD2-CE2 4.21Å; L52-Y55 WeakPolarHBondContact O-CB 3.11Å; L52-Y55 PolarHBondContact O-N 2.96Å
53	S	81.2	Confident	85.3	Confident	66 Å²	66	57.7 Å²	57.7	46%	0.462	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-36.5	178.8	57.1	0	0	0	0	116.9	D49 S50 Y55 Q67	D49-S53 PolarHBondContact O-N 3.27Å; S50-S53 WeakPolarHBondContact O-CB 3.13Å; S50-S53 PolarHBondContact O-N 2.93Å; S50-S53 PolarHBondContact O-OG 2.76Å; S53-Y55 PolarHBondContact O-N 3.36Å; S53-Q67 PolarHBondContact O-NE2 3.42Å
54	P	83.8	Confident	85.4	Confident	28 Å²	28	57.8 Å²	57.8	18%	0.182	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-5.5	174.7	30.3	-34.1	0	0	0	113.2	L52 R66 Q67	L52-P54 VanDerWaalsContact C-CD 3.48Å; P54-R66 HydrophobicContact CB-CG 4.07Å; P54-R66 HydrophobicContact CG-CG 4.28Å; P54-R66 WeakPolarHBondContact O-CA 3.38Å; P54-Q67 WeakPolarHBondContact O-CB 3.35Å; P54-Q67 WeakPolarHBondContact O-CG 3.47Å; P54-Q67 PolarHBondContact O-N 2.83Å; P54-Q67 PolarHBondContact O-NE2 2.83Å; P54-Q67 VanDerWaalsContact O-NE2 3.14Å
55	Y	85.6	Confident	85.3	Confident	42 Å²	42	59 Å²	59	17%	0.165	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.4	-172.5	-57.5	-94	0	0	0	113.8	L45 L52 S53 Q64 F65 R66	L45-Y55 PolarHBondContact N-O 3.21Å; L45-Y55 VanDerWaalsContact N-O 3.12Å; L52-Y55 HydrophobicContact CB-CD2 4.33Å; L52-Y55 HydrophobicContact CD2-CD2 4.06Å; L52-Y55 HydrophobicContact CD2-CE2 4.21Å; L52-Y55 WeakPolarHBondContact O-CB 3.11Å; L52-Y55 PolarHBondContact O-N 2.96Å; S53-Y55 PolarHBondContact O-N 3.36Å; Y55-Q64 HydrophobicContact CD1-CG 3.73Å; Y55-Q64 VanDerWaalsContact CD1-NE2 3.33Å; Y55-Q64 HydrophobicContact CG-CG 4.28Å; Y55-F65 WeakPolarHBondContact CA-O 3.4Å; Y55-R66 HydrophobicContact CD1-CB 3.77Å; Y55-R66 HydrophobicContact CD1-CG 3.64Å; Y55-R66 HydrophobicContact CD2-CG 4.46Å; Y55-R66 HydrophobicContact CE1-CB 3.82Å; Y55-R66 HydrophobicContact CE1-CG 3.47Å; Y55-R66 VanDerWaalsContact CE1-CG 3.47Å; Y55-R66 HydrophobicContact CE2-CG 4.32Å; Y55-R66 HydrophobicContact CG-CG 4.18Å
56	I	87.4	Confident	85.3	Confident	36 Å²	36	62.5 Å²	62.5	19%	0.185	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134	173.1	-57.4	-178.7	0	0	0	107.7	V43 V44 Q64 F65 Q67	V43-I56 CarbonylContact O-C 3.54Å; V43-I56 VanDerWaalsContact O-CA 3.3Å; V43-I56 WeakPolarHBondContact O-CA 3.19Å; V43-I56 WeakPolarHBondContact O-CG2 3.49Å; V44-I56 HydrophobicContact CG1-CG1 4.47Å; V44-I56 HydrophobicContact CG2-CD1 4.26Å; V44-I56 HydrophobicContact CG2-CG1 4.18Å; V44-I56 HydrophobicContact CG2-CG2 4.5Å; I56-Q64 CarbonylContact O-C 3.54Å; I56-Q64 WeakPolarHBondContact O-CA 3.37Å; I56-F65 PolarHBondContact N-O 2.86Å; I56-F65 PolarHBondContact O-N 2.67Å; I56-Q67 HydrophobicContact CD1-CG 3.96Å; I56-Q67 HydrophobicContact CG1-CG 4.22Å
57	I	90.9	Very high	85.1	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	123.7	168	-65.6	177.8	0	0	0	108.7	Y22 I30 S42 V43 L45 L59 H63 Q64 V75	Y22-I57 HydrophobicContact CE2-CD1 3.72Å; I30-I57 HydrophobicContact CD1-CD1 3.62Å; I30-I57 HydrophobicContact CG1-CD1 4.28Å; S42-I57 CarbonylContact C-O 3.55Å; S42-I57 WeakPolarHBondContact CA-O 3.47Å; V43-I57 PolarHBondContact N-O 3.38Å; V43-I57 PolarHBondContact O-N 2.78Å; L45-I57 HydrophobicContact CD1-CD1 4.16Å; L45-I57 HydrophobicContact CD1-CG1 4.1Å; L45-I57 HydrophobicContact CD2-CD1 3.87Å; L45-I57 HydrophobicContact CD2-CG1 4.06Å; L45-I57 HydrophobicContact CG-CG1 4.32Å; I57-L59 HydrophobicContact CG2-CD2 4Å; I57-H63 WeakPolarHBondContact CA-O 3.34Å; I57-Q64 HydrophobicContact CG1-CB 4.3Å; I57-Q64 HydrophobicContact CG1-CG 4.48Å; I57-V75 HydrophobicContact CD1-CG1 4.26Å; I57-V75 HydrophobicContact CG1-CG1 4.35Å; I57-V75 HydrophobicContact CG2-CG2 3.77Å
58	D	87.4	Confident	84.6	Confident	55 Å²	55	63.5 Å²	63.5	29%	0.294	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	120.2	162.4	171.7	12.9	0	0	0	109.3	G41 H60 S61 M62 H63	G41-D58 WeakPolarHBondContact O-CA 3.32Å; G41-D58 VanDerWaalsContact O-OD1 3.07Å; D58-H60 WeakPolarHBondContact OD1-CB 3.35Å; D58-H60 PolarHBondContact OD1-N 3.44Å; D58-H60 IonicContact OD1-ND1 3.12Å; D58-S61 WeakPolarHBondContact CB-OG 3.26Å; D58-S61 PolarHBondContact OD1-N 3.03Å; D58-S61 WeakPolarHBondContact OD2-CB 3.33Å; D58-S61 PolarHBondContact OD2-N 3.18Å; D58-S61 PolarHBondContact OD2-OG 2.78Å; D58-M62 VanDerWaalsContact O-CA 3.28Å; D58-M62 WeakPolarHBondContact O-CA 3.39Å; D58-M62 PolarHBondContact O-N 2.97Å; D58-H63 PolarHBondContact N-O 3.33Å; D58-H63 PolarHBondContact O-N 2.77Å
59	L	86.4	Confident	84	Confident	32 Å²	32	64.3 Å²	64.3	17%	0.168	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-14.2	-177.4	-66.8	173	0	0	0	113.3	W10 I30 I34 C40 G41 V43 I57	W10-L59 HydrophobicContact CH2-CD2 3.62Å; W10-L59 HydrophobicContact CZ2-CD2 4.38Å; W10-L59 HydrophobicContact CZ3-CD2 4.08Å; I30-L59 HydrophobicContact CG2-CD2 4.42Å; I34-L59 HydrophobicContact CD1-CD1 4.22Å; I34-L59 HydrophobicContact CD1-CD2 3.91Å; I34-L59 HydrophobicContact CG1-CD1 3.62Å; I34-L59 HydrophobicContact CG1-CD2 4.26Å; C40-L59 WeakPolarHBondContact O-CD1 3.44Å; G41-L59 PolarHBondContact O-N 3.48Å; V43-L59 HydrophobicContact CG2-CD1 3.61Å; V43-L59 HydrophobicContact CG2-CD2 4.32Å; V43-L59 HydrophobicContact CG2-CG 4.04Å; I57-L59 HydrophobicContact CG2-CD2 4Å
60	H	81.9	Confident	83.5	Confident	148 Å²	148	65 Å²	65	69%	0.685	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-45.5	174.5	-69.2	78.1	0	0	0	111.6	G41 D58	G41-H60 VanDerWaalsContact CA-CE1 3.42Å; G41-H60 WeakPolarHBondContact CA-CE1 3.47Å; G41-H60 VanDerWaalsContact CA-ND1 3.31Å; G41-H60 WeakPolarHBondContact CA-ND1 3.49Å; D58-H60 WeakPolarHBondContact OD1-CB 3.35Å; D58-H60 PolarHBondContact OD1-N 3.44Å; D58-H60 IonicContact OD1-ND1 3.12Å
61	S	82.9	Confident	83.3	Confident	56 Å²	56	63.1 Å²	63.1	39%	0.392	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-13.1	175.2	66.8	0	0	0	0	113.6	D58 H63	D58-S61 WeakPolarHBondContact CB-OG 3.26Å; D58-S61 PolarHBondContact OD1-N 3.03Å; D58-S61 WeakPolarHBondContact OD2-CB 3.33Å; D58-S61 PolarHBondContact OD2-N 3.18Å; D58-S61 PolarHBondContact OD2-OG 2.78Å; S61-H63 PolarHBondContact O-CE1 3.11Å; S61-H63 PolarHBondContact O-ND1 3.1Å
62	M	90.9	Very high	83.4	Confident	61 Å²	61	58 Å²	58	30%	0.3	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	49.4	-171.1	-67.4	-69.8	-68	0	0	112	W10 D58 V75 R77	W10-M62 HydrophobicContact CH2-CE 3.86Å; W10-M62 HydrophobicContact CH2-SD 3.99Å; W10-M62 HydrophobicContact CZ3-CE 3.57Å; W10-M62 HydrophobicContact CZ3-SD 3.98Å; D58-M62 VanDerWaalsContact O-CA 3.28Å; D58-M62 WeakPolarHBondContact O-CA 3.39Å; D58-M62 PolarHBondContact O-N 2.97Å; M62-V75 HydrophobicContact CB-CG2 4.39Å; M62-V75 HydrophobicContact CE-CG2 4.39Å; M62-V75 WeakPolarHBondContact O-CG2 3.33Å; M62-V75 PolarHBondContact O-N 2.91Å; M62-R77 HydrophobicContact CE-CB 4.33Å
63	H	90.4	Very high	83.5	Confident	58 Å²	58	58.5 Å²	58.5	27%	0.269	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.6	175.6	-74.2	69.9	0	0	0	112.2	I57 D58 S61 L72 R73	I57-H63 WeakPolarHBondContact CA-O 3.34Å; D58-H63 PolarHBondContact N-O 3.33Å; D58-H63 PolarHBondContact O-N 2.77Å; S61-H63 PolarHBondContact O-CE1 3.11Å; S61-H63 PolarHBondContact O-ND1 3.1Å; H63-L72 HydrophobicContact CB-CD2 3.99Å; H63-R73 CarbonylContact C-O 3.48Å; H63-R73 WeakPolarHBondContact CA-O 3.3Å
64	Q	90.6	Very high	84	Confident	5 Å²	5	57.4 Å²	57.4	2%	0.023	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	119.2	161	-175.4	-167.2	54.2	0	0	108.9	Y22 Y55 I56 I57 L72 R73 V75	Y22-Q64 WeakPolarHBondContact OH-CB 2.95Å; Y22-Q64 WeakPolarHBondContact OH-CG 3.39Å; Y22-Q64 PolarHBondContact OH-NE2 2.85Å; Y55-Q64 HydrophobicContact CD1-CG 3.73Å; Y55-Q64 VanDerWaalsContact CD1-NE2 3.33Å; Y55-Q64 HydrophobicContact CG-CG 4.28Å; I56-Q64 CarbonylContact O-C 3.54Å; I56-Q64 WeakPolarHBondContact O-CA 3.37Å; I57-Q64 HydrophobicContact CG1-CB 4.3Å; I57-Q64 HydrophobicContact CG1-CG 4.48Å; Q64-L72 CarbonylContact O-C 3.55Å; Q64-L72 WeakPolarHBondContact O-CA 3.47Å; Q64-R73 HydrophobicContact CB-CB 4.44Å; Q64-R73 PolarHBondContact N-O 3.25Å; Q64-R73 PolarHBondContact O-N 2.69Å; Q64-V75 HydrophobicContact CB-CG1 3.75Å
65	F	84.8	Confident	84.6	Confident	77 Å²	77	56.3 Å²	56.3	34%	0.338	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.6	171	174.3	-109	0	0	0	110.3	Y55 I56 Q67 L72	Y55-F65 WeakPolarHBondContact CA-O 3.4Å; I56-F65 PolarHBondContact N-O 2.86Å; I56-F65 PolarHBondContact O-N 2.67Å; F65-Q67 HydrophobicContact CD1-CG 4.15Å; F65-Q67 HydrophobicContact CE1-CB 4.33Å; F65-Q67 HydrophobicContact CE1-CG 3.94Å; F65-L72 HydrophobicContact CB-CD2 3.81Å; F65-L72 HydrophobicContact CD2-CD2 3.86Å; F65-L72 HydrophobicContact CD2-CG 4.24Å; F65-L72 HydrophobicContact CG-CD2 4.32Å
66	R	86.3	Confident	84.9	Confident	74 Å²	74	58 Å²	58	28%	0.279	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.1	172.8	-158.9	-170.5	149.6	176.9	-8.4	110.1	P54 Y55 D68 T69 G70 T71	P54-R66 HydrophobicContact CB-CG 4.07Å; P54-R66 HydrophobicContact CG-CG 4.28Å; P54-R66 WeakPolarHBondContact O-CA 3.38Å; Y55-R66 HydrophobicContact CD1-CB 3.77Å; Y55-R66 HydrophobicContact CD1-CG 3.64Å; Y55-R66 HydrophobicContact CD2-CG 4.46Å; Y55-R66 HydrophobicContact CE1-CB 3.82Å; Y55-R66 HydrophobicContact CE1-CG 3.47Å; Y55-R66 VanDerWaalsContact CE1-CG 3.47Å; Y55-R66 HydrophobicContact CE2-CG 4.32Å; Y55-R66 HydrophobicContact CG-CG 4.18Å; R66-D68 VanDerWaalsContact CD-OD1 3.32Å; R66-D68 WeakPolarHBondContact CD-OD1 3.37Å; R66-D68 WeakPolarHBondContact CG-OD1 3.45Å; R66-D68 IonicContact CZ-OD1 3.35Å; R66-D68 IonicContact CZ-OD2 3.25Å; R66-D68 VanDerWaalsContact NE-CG 3.34Å; R66-D68 IonicContact NE-OD1 2.69Å; R66-D68 PolarHBondContact NE-OD1 3.09Å; R66-D68 IonicContact NE-OD2 3.19Å; R66-D68 PolarHBondContact NE-OD2 2.89Å; R66-D68 VanDerWaalsContact NE-OD2 3.15Å; R66-D68 IonicContact NH2-OD1 3.89Å; R66-D68 IonicContact NH2-OD2 2.99Å; R66-D68 PolarHBondContact NH2-OD2 3.02Å; R66-D68 PolarHBondContact O-N 2.94Å; R66-T69 WeakPolarHBondContact CD-OG1 3.5Å; R66-G70 VanDerWaalsContact O-CA 3.25Å; R66-G70 WeakPolarHBondContact O-CA 3.4Å; R66-G70 PolarHBondContact O-N 2.89Å; R66-T71 VanDerWaalsContact CB-OG1 3.27Å; R66-T71 WeakPolarHBondContact CB-OG1 3.46Å; R66-T71 PolarHBondContact N-O 3.27Å
67	Q	78.1	Confident	85.2	Confident	102 Å²	102	60.2 Å²	60.2	48%	0.477	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-27.7	-165.9	-69.8	169.9	88.8	0	0	115.4	S53 P54 I56 F65	S53-Q67 PolarHBondContact O-NE2 3.42Å; P54-Q67 WeakPolarHBondContact O-CB 3.35Å; P54-Q67 WeakPolarHBondContact O-CG 3.47Å; P54-Q67 PolarHBondContact O-N 2.83Å; P54-Q67 PolarHBondContact O-NE2 2.83Å; P54-Q67 VanDerWaalsContact O-NE2 3.14Å; I56-Q67 HydrophobicContact CD1-CG 3.96Å; I56-Q67 HydrophobicContact CG1-CG 4.22Å; F65-Q67 HydrophobicContact CD1-CG 4.15Å; F65-Q67 HydrophobicContact CE1-CB 4.33Å; F65-Q67 HydrophobicContact CE1-CG 3.94Å
68	D	69.5	Low	85.2	Confident	94 Å²	94	61 Å²	61	50%	0.503	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-33.9	-175.4	55.6	-3.6	0	0	0	113.2	R66	R66-D68 VanDerWaalsContact CD-OD1 3.32Å; R66-D68 WeakPolarHBondContact CD-OD1 3.37Å; R66-D68 WeakPolarHBondContact CG-OD1 3.45Å; R66-D68 IonicContact CZ-OD1 3.35Å; R66-D68 IonicContact CZ-OD2 3.25Å; R66-D68 VanDerWaalsContact NE-CG 3.34Å; R66-D68 IonicContact NE-OD1 2.69Å; R66-D68 PolarHBondContact NE-OD1 3.09Å; R66-D68 IonicContact NE-OD2 3.19Å; R66-D68 PolarHBondContact NE-OD2 2.89Å; R66-D68 VanDerWaalsContact NE-OD2 3.15Å; R66-D68 IonicContact NH2-OD1 3.89Å; R66-D68 IonicContact NH2-OD2 2.99Å; R66-D68 PolarHBondContact NH2-OD2 3.02Å; R66-D68 PolarHBondContact O-N 2.94Å
69	T	72.8	Confident	85.4	Confident	79 Å²	79	62 Å²	62	49%	0.485	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-8.3	-175.4	57	0	0	0	0	113.9	R66 T71	R66-T69 WeakPolarHBondContact CD-OG1 3.5Å; T69-T71 PolarHBondContact O-N 3.37Å; T69-T71 PolarHBondContact OG1-OG1 3.35Å
70	G	73.4	Confident	85.6	Confident	36 Å²	36	61.6 Å²	61.6	37%	0.371	31%	0.31	S	S	.	.			trans	72.8	2.4	-177.8	0	0	0	0	0	115.2	R66 L72	R66-G70 VanDerWaalsContact O-CA 3.25Å; R66-G70 WeakPolarHBondContact O-CA 3.4Å; R66-G70 PolarHBondContact O-N 2.89Å; G70-L72 PolarHBondContact O-N 3.49Å
71	T	76.8	Confident	85.9	Confident	56 Å²	56	58.8 Å²	58.8	34%	0.344	30%	0.3	S	S	.	.			trans	-65.5	123.6	-174.6	58.6	0	0	0	0	111.2	R66 T69	R66-T71 VanDerWaalsContact CB-OG1 3.27Å; R66-T71 WeakPolarHBondContact CB-OG1 3.46Å; R66-T71 PolarHBondContact N-O 3.27Å; T69-T71 PolarHBondContact O-N 3.37Å; T69-T71 PolarHBondContact OG1-OG1 3.35Å
72	L	84	Confident	86.2	Confident	83 Å²	83	58.4 Å²	58.4	44%	0.435	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134.8	170.7	-73.2	164.7	0	0	0	110.2	H63 Q64 F65 G70	H63-L72 HydrophobicContact CB-CD2 3.99Å; Q64-L72 CarbonylContact O-C 3.55Å; Q64-L72 WeakPolarHBondContact O-CA 3.47Å; F65-L72 HydrophobicContact CB-CD2 3.81Å; F65-L72 HydrophobicContact CD2-CD2 3.86Å; F65-L72 HydrophobicContact CD2-CG 4.24Å; F65-L72 HydrophobicContact CG-CD2 4.32Å; G70-L72 PolarHBondContact O-N 3.49Å
73	R	88.8	Confident	86	Confident	40 Å²	40	60.5 Å²	60.5	15%	0.151	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.6	171.3	-60.5	-174.9	-178.9	-78.1	-2.2	109.2	E15 H63 Q64 V75	E15-R73 VanDerWaalsContact CG-NH1 3.26Å; E15-R73 IonicContact OE1-CZ 2.71Å; E15-R73 IonicContact OE1-NH1 3.37Å; E15-R73 IonicContact OE1-NH2 3.6Å; E15-R73 PolarHBondContact OE1-NH2 2.83Å; H63-R73 CarbonylContact C-O 3.48Å; H63-R73 WeakPolarHBondContact CA-O 3.3Å; Q64-R73 HydrophobicContact CB-CB 4.44Å; Q64-R73 PolarHBondContact N-O 3.25Å; Q64-R73 PolarHBondContact O-N 2.69Å; R73-V75 PolarHBondContact O-N 2.89Å
74	P	92.4	Very high	86	Confident	43 Å²	43	59 Å²	59	28%	0.279	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	139	170.4	-27.7	34.6	0	0	0	111.7	W12 L13 W19	W12-P74 WeakPolarHBondContact CA-O 3.28Å; L13-P74 HydrophobicContact CB-CB 4.16Å; L13-P74 HydrophobicContact CB-CG 4.37Å; L13-P74 HydrophobicContact CD2-CB 4.37Å; L13-P74 HydrophobicContact CD2-CG 3.98Å; L13-P74 PolarHBondContact N-O 2.87Å; W19-P74 HydrophobicContact CH2-CB 3.84Å; W19-P74 HydrophobicContact CZ3-CB 4.43Å; W19-P74 WeakPolarHBondContact CZ3-O 3.32Å
75	V	94.8	Very high	85.9	Confident	6 Å²	6	59 Å²	59	4%	0.036	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	154.4	166.5	-64.1	0	0	0	0	110.5	W10 E11 W12 Y22 I57 M62 Q64 R73	W10-V75 HydrophobicContact CE3-CG2 4.47Å; W10-V75 HydrophobicContact CZ3-CG2 4.18Å; E11-V75 CarbonylContact O-C 3.48Å; E11-V75 WeakPolarHBondContact O-CA 3.26Å; E11-V75 WeakPolarHBondContact O-CB 3.29Å; W12-V75 HydrophobicContact CB-CG1 4Å; Y22-V75 HydrophobicContact CE2-CG1 4.01Å; Y22-V75 WeakPolarHBondContact OH-CG1 3.37Å; I57-V75 HydrophobicContact CD1-CG1 4.26Å; I57-V75 HydrophobicContact CG1-CG1 4.35Å; I57-V75 HydrophobicContact CG2-CG2 3.77Å; M62-V75 HydrophobicContact CB-CG2 4.39Å; M62-V75 HydrophobicContact CE-CG2 4.39Å; M62-V75 WeakPolarHBondContact O-CG2 3.33Å; M62-V75 PolarHBondContact O-N 2.91Å; Q64-V75 HydrophobicContact CB-CG1 3.75Å; R73-V75 PolarHBondContact O-N 2.89Å
76	R	93.1	Very high	86.2	Confident	78 Å²	78	55.5 Å²	55.5	29%	0.294	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	155	172.2	70.2	-178.8	-172	171.5	11.4	111.3	W10 E11 W19 S78	W10-R76 WeakPolarHBondContact CA-O 3.28Å; E11-R76 HydrophobicContact CB-CG 4.01Å; E11-R76 PolarHBondContact N-O 3.48Å; E11-R76 PolarHBondContact O-N 3Å; E11-R76 IonicContact OE1-NH2 2.72Å; E11-R76 IonicContact OE2-CZ 2.66Å; E11-R76 IonicContact OE2-NE 3.51Å; E11-R76 PolarHBondContact OE2-NE 3Å; E11-R76 IonicContact OE2-NH2 2.64Å; E11-R76 PolarHBondContact OE2-NH2 3.4Å; W19-R76 HydrophobicContact CD2-CG 4.07Å; W19-R76 HydrophobicContact CE3-CB 4.43Å; W19-R76 HydrophobicContact CE3-CG 3.65Å; W19-R76 HydrophobicContact CH2-CB 3.99Å; W19-R76 HydrophobicContact CH2-CG 4.04Å; W19-R76 HydrophobicContact CZ2-CG 4.44Å; W19-R76 HydrophobicContact CZ3-CB 3.91Å; W19-R76 HydrophobicContact CZ3-CG 3.64Å; R76-S78 PolarHBondContact NE-OG 2.89Å
77	R	93.1	Very high	86.2	Confident	82 Å²	82	52.8 Å²	52.8	31%	0.309	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	98.4	174.6	-173.9	-175.1	-168.9	-135.4	0.2	107.9	V8 W10 E31 M62 F79	V8-R77 HydrophobicContact CG1-CG 3.46Å; V8-R77 VanDerWaalsContact CG1-CG 3.46Å; W10-R77 HydrophobicContact CD2-CB 4.24Å; W10-R77 HydrophobicContact CD2-CG 4.38Å; W10-R77 HydrophobicContact CE3-CB 4.39Å; W10-R77 HydrophobicContact CH2-CB 3.95Å; W10-R77 HydrophobicContact CH2-CG 4.34Å; W10-R77 HydrophobicContact CZ2-CB 3.75Å; W10-R77 HydrophobicContact CZ2-CG 3.64Å; W10-R77 HydrophobicContact CZ3-CB 4.26Å; E31-R77 VanDerWaalsContact CD-NH2 3.3Å; E31-R77 IonicContact OE1-CZ 3.79Å; E31-R77 IonicContact OE1-NE 2.71Å; E31-R77 PolarHBondContact OE1-NE 2.93Å; E31-R77 IonicContact OE1-NH2 3.8Å; E31-R77 PolarHBondContact OE1-NH2 2.84Å; E31-R77 VanDerWaalsContact OE1-NH2 3.12Å; E31-R77 IonicContact OE2-CZ 3.67Å; E31-R77 IonicContact OE2-NE 2.69Å; E31-R77 IonicContact OE2-NH2 2.7Å; E31-R77 PolarHBondContact OE2-NH2 2.76Å; M62-R77 HydrophobicContact CE-CB 4.33Å; R77-F79 HydrophobicContact CG-CZ 4.32Å
78	S	92	Very high	86.6	Confident	16 Å²	16	52.5 Å²	52.5	11%	0.112	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	147.9	-175.6	-62.1	0	0	0	0	110.9	V8 V9 E11 R76	V8-S78 WeakPolarHBondContact CA-O 3.2Å; V9-S78 PolarHBondContact N-O 3.31Å; V9-S78 PolarHBondContact O-N 2.9Å; E11-S78 WeakPolarHBondContact OE2-CB 3.43Å; E11-S78 PolarHBondContact OE2-OG 2.72Å; R76-S78 PolarHBondContact NE-OG 2.89Å
79	F	91.4	Very high	87.6	Confident	77 Å²	77	48.2 Å²	48.2	34%	0.338	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.6	-176.6	-63	-88.4	0	0	0	110.7	A6 V7 V8 R77 L167 P168	A6-F79 HydrophobicContact CB-CB 4.22Å; A6-F79 HydrophobicContact CB-CD1 4.09Å; V7-F79 CarbonylContact O-C 3.5Å; V7-F79 WeakPolarHBondContact O-CA 3.25Å; V8-F79 HydrophobicContact CG2-CD1 3.84Å; V8-F79 HydrophobicContact CG2-CE1 3.74Å; R77-F79 HydrophobicContact CG-CZ 4.32Å; F79-L167 HydrophobicContact CD1-CD2 4.39Å; F79-P168 HydrophobicContact CE2-CG 4.49Å
80	Y	90.7	Very high	88.4	Confident	23 Å²	23	48 Å²	48	9%	0.09	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	157.3	-176.2	-67.7	-79.2	0	0	0	111.7	A6 V7 V9 P86 T106 E107 I110	A6-Y80 CarbonylContact C-O 3.54Å; A6-Y80 WeakPolarHBondContact CA-O 3.43Å; V7-Y80 PolarHBondContact N-O 2.91Å; V7-Y80 PolarHBondContact O-N 3.25Å; V9-Y80 HydrophobicContact CB-CD2 4.03Å; V9-Y80 HydrophobicContact CB-CE2 3.93Å; V9-Y80 HydrophobicContact CG2-CD2 3.62Å; V9-Y80 HydrophobicContact CG2-CE2 3.95Å; Y80-P86 HydrophobicContact CG-CG 4.3Å; Y80-T106 HydrophobicContact CD2-CG2 4.11Å; Y80-T106 HydrophobicContact CE1-CG2 4.09Å; Y80-T106 HydrophobicContact CE2-CG2 3.58Å; Y80-E107 VanDerWaalsContact CE1-OE1 3.24Å; Y80-E107 WeakPolarHBondContact CE1-OE1 3.17Å; Y80-E107 PolarHBondContact OH-OE1 3.44Å; Y80-I110 HydrophobicContact CD1-CD1 3.43Å; Y80-I110 VanDerWaalsContact CD1-CD1 3.43Å; Y80-I110 HydrophobicContact CE1-CD1 3.74Å; Y80-I110 HydrophobicContact CG-CD1 4.22Å
81	D	87.3	Confident	89.3	Confident	89 Å²	89	47.4 Å²	47.4	48%	0.476	24%	0.243	S	C	.	.			trans	-72.8	135.6	177.4	-175.3	-69.1	0	0	0	110.8	T83 T84	D81-T83 PolarHBondContact O-N 3.12Å; D81-T83 WeakPolarHBondContact OD1-CB 3.42Å; D81-T83 WeakPolarHBondContact OD1-CG2 3.32Å; D81-T83 PolarHBondContact OD1-N 2.94Å; D81-T83 PolarHBondContact OD1-OG1 3Å; D81-T84 HydrophobicContact CB-CG2 4.06Å; D81-T84 WeakPolarHBondContact O-CB 3.08Å; D81-T84 PolarHBondContact O-N 3.42Å; D81-T84 PolarHBondContact O-OG1 3.43Å
82	P	89.1	Confident	90.1	Very high	47 Å²	47	44.9 Å²	44.9	31%	0.305	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-23.3	178.5	-28.1	36.7	0	0	0	116.2	S5 V7 T84 L162	S5-P82 WeakPolarHBondContact O-CD 3.49Å; S5-P82 WeakPolarHBondContact O-CG 3.17Å; V7-P82 HydrophobicContact CG2-CB 4.35Å; V7-P82 HydrophobicContact CG2-CG 4.42Å; P82-T84 VanDerWaalsContact C-N 3.29Å; P82-T84 PolarHBondContact O-N 2.75Å; P82-L162 HydrophobicContact CB-CD2 4.03Å; P82-L162 HydrophobicContact CG-CD2 3.87Å
83	T	87.2	Confident	90.6	Very high	105 Å²	105	41.8 Å²	41.8	64%	0.644	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-10.7	177	64.5	0	0	0	0	113.8	D81 Q88	D81-T83 PolarHBondContact O-N 3.12Å; D81-T83 WeakPolarHBondContact OD1-CB 3.42Å; D81-T83 WeakPolarHBondContact OD1-CG2 3.32Å; D81-T83 PolarHBondContact OD1-N 2.94Å; D81-T83 PolarHBondContact OD1-OG1 3Å; T83-Q88 PolarHBondContact O-NE2 2.91Å
84	T	89.9	Confident	90.8	Very high	28 Å²	28	41.9 Å²	41.9	17%	0.172	21%	0.211	C	C	.	.	S	Bend	trans	-83.3	168.4	-176.9	64.1	0	0	0	0	113.4	D81 P82 P86 G87 Q88 I110	D81-T84 HydrophobicContact CB-CG2 4.06Å; D81-T84 WeakPolarHBondContact O-CB 3.08Å; D81-T84 PolarHBondContact O-N 3.42Å; D81-T84 PolarHBondContact O-OG1 3.43Å; P82-T84 VanDerWaalsContact C-N 3.29Å; P82-T84 PolarHBondContact O-N 2.75Å; T84-P86 WeakPolarHBondContact OG1-CD 3.33Å; T84-G87 WeakPolarHBondContact O-CA 3.42Å; T84-G87 PolarHBondContact O-N 3.18Å; T84-Q88 PolarHBondContact O-N 3.46Å; T84-I110 HydrophobicContact CG2-CD1 4.38Å; T84-I110 HydrophobicContact CG2-CG2 4.17Å
85	A	89.1	Confident	90.8	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.025	21%	0.206	C	C	.	.	H	α-helix	trans	-43	-51.5	179.6	0	0	0	0	0	115.4	G87 Q88 G89 W90 I110 Q113	A85-G87 VanDerWaalsContact C-N 3.31Å; A85-G87 PolarHBondContact O-N 3.07Å; A85-Q88 PolarHBondContact O-N 2.75Å; A85-G89 PolarHBondContact O-N 2.81Å; A85-G89 VanDerWaalsContact O-N 3.13Å; A85-W90 HydrophobicContact CB-CB 4.24Å; A85-W90 PolarHBondContact O-N 1.78Å; A85-I110 HydrophobicContact CB-CG1 4.09Å; A85-Q113 HydrophobicContact CB-CB 3.84Å; A85-Q113 HydrophobicContact CB-CG 3.91Å
86	P	89.7	Confident	90.5	Very high	5 Å²	5	43 Å²	43	3%	0.032	21%	0.214	C	C	.	.	H	α-helix	trans	-66.3	-29.1	178.6	26.8	-36.3	0	0	0	113.7	V7 V9 Y80 T84 T106 I110 Y160	V7-P86 HydrophobicContact CG1-CB 4.05Å; V7-P86 HydrophobicContact CG1-CG 4.36Å; V9-P86 HydrophobicContact CG2-CB 3.88Å; V9-P86 HydrophobicContact CG2-CG 4.29Å; Y80-P86 HydrophobicContact CG-CG 4.3Å; T84-P86 WeakPolarHBondContact OG1-CD 3.33Å; P86-T106 HydrophobicContact CG-CG2 4.28Å; P86-I110 HydrophobicContact CG-CD1 4.2Å; P86-I110 HydrophobicContact CG-CG1 4.45Å; P86-Y160 HydrophobicContact CB-CD2 3.41Å; P86-Y160 VanDerWaalsContact CB-CD2 3.41Å; P86-Y160 HydrophobicContact CB-CE2 3.9Å; P86-Y160 HydrophobicContact CB-CG 4.01Å; P86-Y160 WeakPolarHBondContact O-CD2 3.37Å; P86-Y160 PolarHBondContact O-N 3.29Å
87	G	87.1	Confident	89.9	Confident	16 Å²	16	44.3 Å²	44.3	17%	0.165	23%	0.226	C	C	.	.	H	α-helix	trans	-73.8	-32.7	174.8	0	0	0	0	0	113.6	V7 T84 A85 A159	V7-G87 VanDerWaalsContact CG2-CA 3.44Å; T84-G87 WeakPolarHBondContact O-CA 3.42Å; T84-G87 PolarHBondContact O-N 3.18Å; A85-G87 VanDerWaalsContact C-N 3.31Å; A85-G87 PolarHBondContact O-N 3.07Å; G87-A159 WeakPolarHBondContact O-CB 3.48Å
88	Q	87.3	Confident	89.3	Confident	96 Å²	96	44.6 Å²	44.6	45%	0.449	25%	0.246	S	C	.	.	H	α-helix	trans	-82.9	-7.1	175.5	-64.4	-171.5	28.4	0	0	114.2	T83 T84 A85 W90	T83-Q88 PolarHBondContact O-NE2 2.91Å; T84-Q88 PolarHBondContact O-N 3.46Å; A85-Q88 PolarHBondContact O-N 2.75Å; Q88-W90 VanDerWaalsContact CB-CD1 3.43Å; Q88-W90 HydrophobicContact CB-CG 4.4Å; Q88-W90 VanDerWaalsContact OE1-CD1 3.25Å
89	G	88.9	Confident	89	Confident	5 Å²	5	46 Å²	46	5%	0.052	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	22.5	-174.6	0	0	0	0	0	114.7	A85 D157	A85-G89 PolarHBondContact O-N 2.81Å; A85-G89 VanDerWaalsContact O-N 3.13Å; G89-D157 PolarHBondContact O-N 3Å
90	W	91.4	Very high	88.8	Confident	75 Å²	75	45 Å²	45	28%	0.284	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	115.5	174.2	-63.2	119	0	0	0	111.3	A85 Q88 R154 A156	A85-W90 HydrophobicContact CB-CB 4.24Å; A85-W90 PolarHBondContact O-N 1.78Å; Q88-W90 VanDerWaalsContact CB-CD1 3.43Å; Q88-W90 HydrophobicContact CB-CG 4.4Å; Q88-W90 VanDerWaalsContact OE1-CD1 3.25Å; W90-R154 HydrophobicContact CE3-CG 3.8Å; W90-R154 HydrophobicContact CZ3-CG 4.28Å; W90-A156 HydrophobicContact CE3-CB 4.35Å; W90-A156 HydrophobicContact CH2-CB 4.43Å; W90-A156 HydrophobicContact CZ3-CB 3.85Å
91	L	91.2	Very high	88.7	Confident	22 Å²	22	48.1 Å²	48.1	12%	0.115	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.3	171.9	-170.5	66.5	0	0	0	109.9	E93 A103 R155 D157	L91-E93 HydrophobicContact CD2-CG 4.11Å; L91-E93 WeakPolarHBondContact CD2-OE1 3.43Å; L91-E93 HydrophobicContact CG-CG 4.05Å; L91-A103 HydrophobicContact CD1-CB 4.26Å; L91-R155 PolarHBondContact N-O 2.99Å; L91-R155 PolarHBondContact O-N 3.13Å; L91-D157 HydrophobicContact CB-CB 4.34Å
92	W	93.4	Very high	88.8	Confident	3 Å²	3	45.5 Å²	45.5	1%	0.011	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.1	174.6	-78.7	97.1	0	0	0	110	Y104 I112 Q113 R116 F136 M139 I152 Q153 R154	W92-Y104 HydrophobicContact CB-CD2 3.93Å; W92-Y104 PolarHBondContact O-N 2.88Å; W92-I112 HydrophobicContact CD2-CB 4.35Å; W92-I112 HydrophobicContact CD2-CG2 3.54Å; W92-I112 HydrophobicContact CE3-CG2 3.68Å; W92-I112 HydrophobicContact CG-CB 4.47Å; W92-I112 HydrophobicContact CG-CG2 4.14Å; W92-I112 HydrophobicContact CH2-CG2 3.73Å; W92-I112 HydrophobicContact CZ2-CG2 3.61Å; W92-I112 HydrophobicContact CZ3-CG2 3.78Å; W92-Q113 VanDerWaalsContact NE1-OE1 3.14Å; W92-R116 HydrophobicContact CZ2-CB 4.31Å; W92-F136 HydrophobicContact CH2-CD1 4.3Å; W92-F136 AromaticContact CH2-CE1 3.95Å; W92-F136 HydrophobicContact CH2-CE1 3.95Å; W92-F136 HydrophobicContact CZ2-CE1 4.39Å; W92-M139 HydrophobicContact CH2-CE 4.28Å; W92-M139 HydrophobicContact CZ3-CE 3.86Å; W92-M139 HydrophobicContact CZ3-SD 4.44Å; W92-I152 HydrophobicContact CE3-CD1 4.27Å; W92-I152 HydrophobicContact CZ3-CD1 3.79Å; W92-I152 HydrophobicContact CZ3-CG1 4.43Å; W92-Q153 WeakPolarHBondContact CA-O 3.39Å; W92-R154 HydrophobicContact CD2-CB 3.89Å; W92-R154 HydrophobicContact CD2-CG 4.43Å; W92-R154 HydrophobicContact CE3-CB 3.87Å; W92-R154 HydrophobicContact CH2-CB 3.77Å; W92-R154 HydrophobicContact CZ2-CB 3.75Å; W92-R154 HydrophobicContact CZ2-CG 4.08Å; W92-R154 HydrophobicContact CZ3-CB 3.81Å
93	E	94.1	Very high	88.9	Confident	18 Å²	18	44.3 Å²	44.3	8%	0.084	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155	-174.5	-54.5	-178.6	132	0	0	111.3	L91 W101 T102 I152 Q153 R155	L91-E93 HydrophobicContact CD2-CG 4.11Å; L91-E93 WeakPolarHBondContact CD2-OE1 3.43Å; L91-E93 HydrophobicContact CG-CG 4.05Å; E93-W101 HydrophobicContact CB-CB 4.25Å; E93-W101 HydrophobicContact CB-CE3 4.14Å; E93-T102 CarbonylContact C-O 3.56Å; E93-T102 VanDerWaalsContact CA-O 3.26Å; E93-T102 WeakPolarHBondContact CA-O 3.22Å; E93-I152 CarbonylContact O-C 3.55Å; E93-I152 VanDerWaalsContact O-CA 3.31Å; E93-I152 WeakPolarHBondContact O-CA 3.33Å; E93-Q153 HydrophobicContact CB-CG 4.04Å; E93-Q153 PolarHBondContact N-O 3.16Å; E93-Q153 PolarHBondContact O-N 2.59Å; E93-Q153 PolarHBondContact OE2-NE2 2.94Å; E93-R155 IonicContact OE1-NH1 2.98Å; E93-R155 PolarHBondContact OE1-NH1 2.9Å; E93-R155 WeakPolarHBondContact OE2-CD 3.38Å; E93-R155 IonicContact OE2-CZ 2.71Å; E93-R155 IonicContact OE2-NH1 2.81Å; E93-R155 PolarHBondContact OE2-NH1 3.01Å
94	W	93.4	Very high	89.1	Confident	42 Å²	42	39.9 Å²	39.9	16%	0.159	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151.3	176.4	61.7	-82.4	0	0	0	111.6	N96 W101 T102 Y104 I152	W94-N96 HydrophobicContact CE3-CB 4.37Å; W94-N96 HydrophobicContact CH2-CB 4.02Å; W94-N96 HydrophobicContact CZ3-CB 3.72Å; W94-W101 VanDerWaalsContact C-CE3 3.5Å; W94-T102 HydrophobicContact CZ2-CG2 3.72Å; W94-T102 PolarHBondContact N-O 2.87Å; W94-T102 PolarHBondContact NE1-O 2.78Å; W94-T102 PolarHBondContact O-N 3.27Å; W94-Y104 HydrophobicContact CB-CE1 4.33Å; W94-Y104 HydrophobicContact CB-CE2 3.95Å; W94-Y104 AromaticContact CD1-CD1 3.81Å; W94-Y104 AromaticContact CD1-CE1 3.65Å; W94-Y104 AromaticContact CD1-CZ 3.81Å; W94-Y104 HydrophobicContact CG-CE1 4.15Å; W94-Y104 HydrophobicContact CG-CE2 4.41Å; W94-I152 HydrophobicContact CB-CG2 4.15Å
95	E	93.2	Very high	89.2	Confident	36 Å²	36	39.3 Å²	39.3	17%	0.168	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	118.9	-177.2	-174	175.2	-145.1	0	0	112	W101 R150 R151	E95-W101 HydrophobicContact CB-CE3 4.17Å; E95-W101 HydrophobicContact CB-CH2 4.09Å; E95-W101 HydrophobicContact CB-CZ2 4.49Å; E95-W101 HydrophobicContact CB-CZ3 3.91Å; E95-R150 WeakPolarHBondContact O-CD 3.29Å; E95-R150 PolarHBondContact O-NH1 3.33Å; E95-R151 HydrophobicContact CB-CB 4.34Å; E95-R151 VanDerWaalsContact CD-NH2 3.31Å; E95-R151 PolarHBondContact N-O 3.33Å; E95-R151 IonicContact OE1-CZ 3.12Å; E95-R151 IonicContact OE1-NE 3.54Å; E95-R151 IonicContact OE1-NH2 2.72Å; E95-R151 PolarHBondContact OE1-NH2 3.08Å; E95-R151 IonicContact OE2-CZ 3.91Å; E95-R151 IonicContact OE2-NE 2.7Å; E95-R151 PolarHBondContact OE2-NE 3.07Å; E95-R151 IonicContact OE2-NH2 3.65Å; E95-R151 PolarHBondContact OE2-NH2 3.34Å
96	N	88.2	Confident	89.3	Confident	38 Å²	38	39.8 Å²	39.8	20%	0.203	23%	0.229	C	C	.	.			trans	-85.3	175	177.7	72.1	32.9	0	0	0	112.9	W94 A98 G99 S100 T102	W94-N96 HydrophobicContact CE3-CB 4.37Å; W94-N96 HydrophobicContact CH2-CB 4.02Å; W94-N96 HydrophobicContact CZ3-CB 3.72Å; N96-A98 PolarHBondContact O-N 2.64Å; N96-A98 VanDerWaalsContact O-N 3.12Å; N96-A98 PolarHBondContact OD1-N 3.18Å; N96-G99 PolarHBondContact O-N 3.34Å; N96-S100 VanDerWaalsContact CG-OG 3.22Å; N96-S100 PolarHBondContact N-O 3.4Å; N96-S100 PolarHBondContact ND2-O 3.26Å; N96-S100 VanDerWaalsContact ND2-O 3.15Å; N96-S100 PolarHBondContact ND2-OG 3.18Å; N96-S100 PolarHBondContact OD1-N 2.87Å; N96-S100 PolarHBondContact OD1-O 2.69Å; N96-S100 PolarHBondContact OD1-OG 3.22Å; N96-T102 PolarHBondContact ND2-OG1 3.41Å
97	D	80.9	Confident	89.4	Confident	104 Å²	104	43.8 Å²	43.8	56%	0.556	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-8	-173.7	-69.2	-28.5	0	0	0	114.8	R148 R150	D97-R148 IonicContact OD1-CZ 3.26Å; D97-R148 VanDerWaalsContact OD1-CZ 3.24Å; D97-R148 IonicContact OD1-NH1 3.57Å; D97-R148 PolarHBondContact OD1-NH1 2.8Å; D97-R148 VanDerWaalsContact OD1-NH1 3.13Å; D97-R148 IonicContact OD1-NH2 2.83Å; D97-R148 PolarHBondContact OD1-NH2 3.2Å; D97-R148 IonicContact OD2-CZ 3.71Å; D97-R148 IonicContact OD2-NH1 2.59Å; D97-R148 PolarHBondContact OD2-NH1 3.03Å; D97-R148 IonicContact OD2-NH2 3.35Å; D97-R150 IonicContact OD1-CZ 3.74Å; D97-R150 VanDerWaalsContact OD1-CZ 3.25Å; D97-R150 IonicContact OD1-NH1 3.66Å; D97-R150 PolarHBondContact OD1-NH1 2.86Å; D97-R150 IonicContact OD1-NH2 3.66Å; D97-R150 PolarHBondContact OD1-NH2 3.16Å; D97-R150 IonicContact OD2-CZ 3.89Å; D97-R150 IonicContact OD2-NH1 2.73Å; D97-R150 IonicContact OD2-NH2 2.74Å; D97-R150 PolarHBondContact OD2-NH2 2.82Å
98	A	80.3	Confident	89.7	Confident	88 Å²	88	43.1 Å²	43.1	73%	0.727	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	12.4	170.4	0	0	0	0	0	112.8	N96 S100	N96-A98 PolarHBondContact O-N 2.64Å; N96-A98 VanDerWaalsContact O-N 3.12Å; N96-A98 PolarHBondContact OD1-N 3.18Å; A98-S100 PolarHBondContact O-N 3.34Å
99	G	84.3	Confident	89.9	Confident	46 Å²	46	39 Å²	39	47%	0.474	22%	0.223	S	C	.	.	S	Bend	trans	67.8	20.7	-177.9	0	0	0	0	0	113.8	N96	N96-G99 PolarHBondContact O-N 3.34Å
100	S	87.8	Confident	90.1	Very high	55 Å²	55	40.3 Å²	40.3	39%	0.385	23%	0.228	S	C	.	.			trans	-111.8	144.3	-178.3	63	0	0	0	0	111.9	N96 A98	N96-S100 VanDerWaalsContact CG-OG 3.22Å; N96-S100 PolarHBondContact N-O 3.4Å; N96-S100 PolarHBondContact ND2-O 3.26Å; N96-S100 VanDerWaalsContact ND2-O 3.15Å; N96-S100 PolarHBondContact ND2-OG 3.18Å; N96-S100 PolarHBondContact OD1-N 2.87Å; N96-S100 PolarHBondContact OD1-O 2.69Å; N96-S100 PolarHBondContact OD1-OG 3.22Å; A98-S100 PolarHBondContact O-N 3.34Å
101	W	89.4	Confident	90.2	Very high	90 Å²	90	38 Å²	38	34%	0.341	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	132.2	-175.3	-66	101.1	0	0	0	111.4	E93 W94 E95 R151 Q153	E93-W101 HydrophobicContact CB-CB 4.25Å; E93-W101 HydrophobicContact CB-CE3 4.14Å; W94-W101 VanDerWaalsContact C-CE3 3.5Å; E95-W101 HydrophobicContact CB-CE3 4.17Å; E95-W101 HydrophobicContact CB-CH2 4.09Å; E95-W101 HydrophobicContact CB-CZ2 4.49Å; E95-W101 HydrophobicContact CB-CZ3 3.91Å; W101-R151 HydrophobicContact CH2-CB 3.91Å; W101-Q153 VanDerWaalsContact CD2-CD 3.44Å; W101-Q153 HydrophobicContact CD2-CG 4.01Å; W101-Q153 VanDerWaalsContact CD2-NE2 3.3Å; W101-Q153 HydrophobicContact CE3-CB 4.45Å; W101-Q153 HydrophobicContact CE3-CG 3.64Å; W101-Q153 VanDerWaalsContact CG-NE2 3.29Å; W101-Q153 HydrophobicContact CH2-CB 4.07Å; W101-Q153 HydrophobicContact CH2-CG 4.09Å; W101-Q153 HydrophobicContact CZ2-CG 4.43Å; W101-Q153 HydrophobicContact CZ3-CB 3.99Å; W101-Q153 HydrophobicContact CZ3-CG 3.69Å
102	T	89.3	Confident	90.4	Very high	33 Å²	33	37 Å²	37	20%	0.202	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.9	-177.9	-53.9	0	0	0	0	108.9	E93 W94 N96	E93-T102 CarbonylContact C-O 3.56Å; E93-T102 VanDerWaalsContact CA-O 3.26Å; E93-T102 WeakPolarHBondContact CA-O 3.22Å; W94-T102 HydrophobicContact CZ2-CG2 3.72Å; W94-T102 PolarHBondContact N-O 2.87Å; W94-T102 PolarHBondContact NE1-O 2.78Å; W94-T102 PolarHBondContact O-N 3.27Å; N96-T102 PolarHBondContact ND2-OG1 3.41Å
103	A	90.7	Very high	90.4	Very high	23 Å²	23	37 Å²	37	19%	0.19	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	144.3	177	0	0	0	0	0	112.1	R20 P21 L91	R20-A103 PolarHBondContact NH1-O 3.39Å; R20-A103 VanDerWaalsContact NH1-O 3.11Å; P21-A103 HydrophobicContact CG-CB 4.4Å; L91-A103 HydrophobicContact CD1-CB 4.26Å
104	Y	92.4	Very high	90.3	Very high	12 Å²	12	38 Å²	38	5%	0.047	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-70.5	159.4	164.6	-79.2	-69.7	0	0	0	111.5	W92 W94 V108 I112 Q141 I152	W92-Y104 HydrophobicContact CB-CD2 3.93Å; W92-Y104 PolarHBondContact O-N 2.88Å; W94-Y104 HydrophobicContact CB-CE1 4.33Å; W94-Y104 HydrophobicContact CB-CE2 3.95Å; W94-Y104 AromaticContact CD1-CD1 3.81Å; W94-Y104 AromaticContact CD1-CE1 3.65Å; W94-Y104 AromaticContact CD1-CZ 3.81Å; W94-Y104 HydrophobicContact CG-CE1 4.15Å; W94-Y104 HydrophobicContact CG-CE2 4.41Å; Y104-V108 HydrophobicContact CD1-CB 4.48Å; Y104-V108 HydrophobicContact CD1-CG1 3.64Å; Y104-V108 HydrophobicContact CE1-CG1 4.28Å; Y104-V108 HydrophobicContact CG-CG1 3.94Å; Y104-I112 HydrophobicContact CD2-CD1 3.89Å; Y104-I112 HydrophobicContact CE2-CD1 3.81Å; Y104-I112 HydrophobicContact CG-CD1 4.25Å; Y104-Q141 PolarHBondContact OH-OE1 3.03Å; Y104-I152 HydrophobicContact CE2-CG2 4.14Å; Y104-I152 WeakPolarHBondContact OH-CG2 3.33Å
105	D	91.6	Very high	90.3	Very high	16 Å²	16	36.1 Å²	36.1	9%	0.086	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-63.6	146.7	169.4	-63	16.9	0	0	0	108.8	R20 E107 V108 G109 F130	R20-D105 WeakPolarHBondContact CD-OD1 3.36Å; R20-D105 IonicContact CZ-OD1 3.66Å; R20-D105 IonicContact NE-OD1 2.98Å; R20-D105 IonicContact NH1-OD1 3.18Å; R20-D105 PolarHBondContact NH1-OD1 3.22Å; D105-E107 VanDerWaalsContact C-N 3.35Å; D105-E107 PolarHBondContact O-N 3.03Å; D105-V108 HydrophobicContact CB-CG2 4.39Å; D105-V108 WeakPolarHBondContact O-CA 3.49Å; D105-V108 WeakPolarHBondContact O-CB 3.45Å; D105-V108 PolarHBondContact O-N 3.36Å; D105-G109 PolarHBondContact O-N 3.42Å; D105-F130 HydrophobicContact CB-CZ 4.49Å
106	T	91.4	Very high	90.2	Very high	12 Å²	12	39.7 Å²	39.7	7%	0.074	24%	0.237	C	C	.	.	H	α-helix	trans	-57.1	-43.7	-165.5	-47.1	0	0	0	0	113.4	V9 E11 Y80 P86 V108 G109 I110	V9-T106 HydrophobicContact CG1-CG2 4.34Å; V9-T106 HydrophobicContact CG2-CG2 4.18Å; E11-T106 WeakPolarHBondContact OE1-CB 3.16Å; E11-T106 PolarHBondContact OE1-OG1 3.36Å; Y80-T106 HydrophobicContact CD2-CG2 4.11Å; Y80-T106 HydrophobicContact CE1-CG2 4.09Å; Y80-T106 HydrophobicContact CE2-CG2 3.58Å; P86-T106 HydrophobicContact CG-CG2 4.28Å; T106-V108 VanDerWaalsContact C-N 3.3Å; T106-V108 PolarHBondContact O-N 3.4Å; T106-G109 PolarHBondContact O-N 3.24Å; T106-I110 HydrophobicContact CG2-CD1 4.29Å; T106-I110 WeakPolarHBondContact O-CG1 3.45Å; T106-I110 PolarHBondContact O-N 2.98Å
107	E	91.1	Very high	90.4	Very high	90 Å²	90	42 Å²	42	42%	0.421	25%	0.249	S	C	.	.	H	α-helix	trans	-59.8	-38.5	175.9	-49.7	-55.2	156.5	0	0	112.8	Y80 D105 I110 A111	Y80-E107 VanDerWaalsContact CE1-OE1 3.24Å; Y80-E107 WeakPolarHBondContact CE1-OE1 3.17Å; Y80-E107 PolarHBondContact OH-OE1 3.44Å; D105-E107 VanDerWaalsContact C-N 3.35Å; D105-E107 PolarHBondContact O-N 3.03Å; E107-I110 PolarHBondContact O-N 2.93Å; E107-A111 WeakPolarHBondContact O-CB 3.16Å; E107-A111 PolarHBondContact O-N 3.03Å
108	V	92.6	Very high	90.9	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-70.4	-42.2	179.9	175.8	0	0	0	0	109.9	Y104 D105 T106 I110 A111 I112 L125 L128 F130	Y104-V108 HydrophobicContact CD1-CB 4.48Å; Y104-V108 HydrophobicContact CD1-CG1 3.64Å; Y104-V108 HydrophobicContact CE1-CG1 4.28Å; Y104-V108 HydrophobicContact CG-CG1 3.94Å; D105-V108 HydrophobicContact CB-CG2 4.39Å; D105-V108 WeakPolarHBondContact O-CA 3.49Å; D105-V108 WeakPolarHBondContact O-CB 3.45Å; D105-V108 PolarHBondContact O-N 3.36Å; T106-V108 VanDerWaalsContact C-N 3.3Å; T106-V108 PolarHBondContact O-N 3.4Å; V108-I110 VanDerWaalsContact C-N 3.3Å; V108-I110 PolarHBondContact O-N 3.12Å; V108-A111 PolarHBondContact O-N 2.98Å; V108-I112 HydrophobicContact CG1-CD1 3.66Å; V108-I112 HydrophobicContact CG1-CG1 4.2Å; V108-I112 WeakPolarHBondContact O-CB 3.48Å; V108-I112 VanDerWaalsContact O-CG1 3.22Å; V108-I112 WeakPolarHBondContact O-CG1 3.08Å; V108-I112 PolarHBondContact O-N 3.47Å; V108-L125 HydrophobicContact CG1-CD1 3.72Å; V108-L125 HydrophobicContact CG1-CD2 4.17Å; V108-L128 HydrophobicContact CG2-CD1 4.09Å; V108-F130 HydrophobicContact CG2-CD2 3.85Å; V108-F130 HydrophobicContact CG2-CE2 3.42Å; V108-F130 VanDerWaalsContact CG2-CE2 3.42Å; V108-F130 HydrophobicContact CG2-CZ 3.97Å
109	G	92.8	Very high	91.5	Very high	9 Å²	9	50 Å²	50	9%	0.093	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-38.5	173	0	0	0	0	0	113	D105 T106 Q113	D105-G109 PolarHBondContact O-N 3.42Å; T106-G109 PolarHBondContact O-N 3.24Å; G109-Q113 WeakPolarHBondContact O-CB 3.31Å; G109-Q113 PolarHBondContact O-N 3.37Å
110	I	93.6	Very high	91.9	Very high	32 Å²	32	51.5 Å²	51.5	16%	0.164	26%	0.255	C	S	.	.	H	α-helix	trans	-67.3	-44.4	174.8	-66.6	169.8	0	0	0	111.1	Y80 T84 A85 P86 T106 E107 V108 Q113 A114	Y80-I110 HydrophobicContact CD1-CD1 3.43Å; Y80-I110 VanDerWaalsContact CD1-CD1 3.43Å; Y80-I110 HydrophobicContact CE1-CD1 3.74Å; Y80-I110 HydrophobicContact CG-CD1 4.22Å; T84-I110 HydrophobicContact CG2-CD1 4.38Å; T84-I110 HydrophobicContact CG2-CG2 4.17Å; A85-I110 HydrophobicContact CB-CG1 4.09Å; P86-I110 HydrophobicContact CG-CD1 4.2Å; P86-I110 HydrophobicContact CG-CG1 4.45Å; T106-I110 HydrophobicContact CG2-CD1 4.29Å; T106-I110 WeakPolarHBondContact O-CG1 3.45Å; T106-I110 PolarHBondContact O-N 2.98Å; E107-I110 PolarHBondContact O-N 2.93Å; V108-I110 VanDerWaalsContact C-N 3.3Å; V108-I110 PolarHBondContact O-N 3.12Å; I110-Q113 PolarHBondContact O-N 2.98Å; I110-A114 WeakPolarHBondContact O-CB 3.44Å; I110-A114 PolarHBondContact O-N 2.86Å
111	A	93.4	Very high	92	Very high	27 Å²	27	52.8 Å²	52.8	22%	0.223	26%	0.262	C	S	.	.	H	α-helix	trans	-65	-45.9	179.1	0	0	0	0	0	112.7	E107 V108 Q113 A114 A115 L123 L128	E107-A111 WeakPolarHBondContact O-CB 3.16Å; E107-A111 PolarHBondContact O-N 3.03Å; V108-A111 PolarHBondContact O-N 2.98Å; A111-Q113 VanDerWaalsContact C-N 3.32Å; A111-Q113 PolarHBondContact O-N 3.36Å; A111-A114 PolarHBondContact O-N 3.34Å; A111-A115 WeakPolarHBondContact O-CB 3.35Å; A111-A115 PolarHBondContact O-N 3.47Å; A111-L123 HydrophobicContact CB-CD2 4.24Å; A111-L128 HydrophobicContact CB-CD1 3.73Å
112	I	93.9	Very high	92.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-43.5	175.9	-65	171.6	0	0	0	110.1	W92 Y104 V108 A115 R116 L123 L125 I134 F136	W92-I112 HydrophobicContact CD2-CB 4.35Å; W92-I112 HydrophobicContact CD2-CG2 3.54Å; W92-I112 HydrophobicContact CE3-CG2 3.68Å; W92-I112 HydrophobicContact CG-CB 4.47Å; W92-I112 HydrophobicContact CG-CG2 4.14Å; W92-I112 HydrophobicContact CH2-CG2 3.73Å; W92-I112 HydrophobicContact CZ2-CG2 3.61Å; W92-I112 HydrophobicContact CZ3-CG2 3.78Å; Y104-I112 HydrophobicContact CD2-CD1 3.89Å; Y104-I112 HydrophobicContact CE2-CD1 3.81Å; Y104-I112 HydrophobicContact CG-CD1 4.25Å; V108-I112 HydrophobicContact CG1-CD1 3.66Å; V108-I112 HydrophobicContact CG1-CG1 4.2Å; V108-I112 WeakPolarHBondContact O-CB 3.48Å; V108-I112 VanDerWaalsContact O-CG1 3.22Å; V108-I112 WeakPolarHBondContact O-CG1 3.08Å; V108-I112 PolarHBondContact O-N 3.47Å; I112-A115 PolarHBondContact O-N 3.22Å; I112-R116 WeakPolarHBondContact O-CB 3.45Å; I112-R116 PolarHBondContact O-N 2.99Å; I112-L123 HydrophobicContact CB-CD2 4.44Å; I112-L123 HydrophobicContact CG1-CD2 3.98Å; I112-L125 HydrophobicContact CD1-CD1 4.49Å; I112-L125 HydrophobicContact CG1-CD2 4.34Å; I112-I134 HydrophobicContact CD1-CD1 4.06Å; I112-I134 HydrophobicContact CD1-CG1 4.12Å; I112-I134 HydrophobicContact CG1-CG1 4.16Å; I112-F136 HydrophobicContact CG2-CE1 3.6Å; I112-F136 HydrophobicContact CG2-CZ 3.84Å; I112-F136 WeakPolarHBondContact O-CZ 3.15Å
113	Q	94.1	Very high	92.4	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.019	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-46.9	176.6	-178.6	54.2	18.7	0	0	112.2	A85 W92 G109 I110 A111 A115 R116 D117 R154	A85-Q113 HydrophobicContact CB-CB 3.84Å; A85-Q113 HydrophobicContact CB-CG 3.91Å; W92-Q113 VanDerWaalsContact NE1-OE1 3.14Å; G109-Q113 WeakPolarHBondContact O-CB 3.31Å; G109-Q113 PolarHBondContact O-N 3.37Å; I110-Q113 PolarHBondContact O-N 2.98Å; A111-Q113 VanDerWaalsContact C-N 3.32Å; A111-Q113 PolarHBondContact O-N 3.36Å; Q113-A115 PolarHBondContact O-N 2.85Å; Q113-R116 PolarHBondContact O-N 3.1Å; Q113-D117 PolarHBondContact NE2-OD1 2.87Å; Q113-D117 PolarHBondContact NE2-OD2 3.44Å; Q113-D117 WeakPolarHBondContact O-CB 3.44Å; Q113-D117 PolarHBondContact O-N 3.35Å; Q113-R154 VanDerWaalsContact CD-NH1 3.25Å; Q113-R154 VanDerWaalsContact OE1-CZ 3.25Å
114	A	92.3	Very high	92.4	Very high	38 Å²	38	57.6 Å²	57.6	31%	0.314	28%	0.279	S	S	.	.	H	α-helix	trans	-65.7	-34.3	179.5	0	0	0	0	0	113.2	I110 A111 R118	I110-A114 WeakPolarHBondContact O-CB 3.44Å; I110-A114 PolarHBondContact O-N 2.86Å; A111-A114 PolarHBondContact O-N 3.34Å; A114-R118 WeakPolarHBondContact O-CB 3.4Å; A114-R118 WeakPolarHBondContact O-CD 3.28Å; A114-R118 WeakPolarHBondContact O-CG 3.47Å; A114-R118 PolarHBondContact O-N 3.48Å
115	A	92.6	Very high	92.3	Very high	3 Å²	3	57.1 Å²	57.1	3%	0.025	28%	0.277	C	S	.	.	H	α-helix	trans	-68.6	-42.9	174	0	0	0	0	0	112	A111 I112 Q113 R118 Q119 Q120 L123 F136	A111-A115 WeakPolarHBondContact O-CB 3.35Å; A111-A115 PolarHBondContact O-N 3.47Å; I112-A115 PolarHBondContact O-N 3.22Å; Q113-A115 PolarHBondContact O-N 2.85Å; A115-R118 CarbonylContact O-C 3.59Å; A115-R118 PolarHBondContact O-N 2.78Å; A115-Q119 PolarHBondContact O-N 3.3Å; A115-Q120 HydrophobicContact CB-CB 4.39Å; A115-Q120 VanDerWaalsContact CB-OE1 3.27Å; A115-Q120 PolarHBondContact O-N 3.12Å; A115-L123 HydrophobicContact CB-CB 4.01Å; A115-L123 HydrophobicContact CB-CD1 4.25Å; A115-L123 HydrophobicContact CB-CD2 3.86Å; A115-L123 HydrophobicContact CB-CG 4.26Å; A115-F136 HydrophobicContact CB-CE2 3.81Å; A115-F136 HydrophobicContact CB-CZ 3.85Å
116	R	91.4	Very high	92.1	Very high	112 Å²	112	59 Å²	59	42%	0.423	30%	0.295	S	S	.	.	H	α-helix	trans	-64.9	-42	176.1	-173.2	176	-174.5	-77.9	-4.4	112.6	W92 I112 Q113 R118 Q119 F136	W92-R116 HydrophobicContact CZ2-CB 4.31Å; I112-R116 WeakPolarHBondContact O-CB 3.45Å; I112-R116 PolarHBondContact O-N 2.99Å; Q113-R116 PolarHBondContact O-N 3.1Å; R116-R118 PolarHBondContact O-N 2.7Å; R116-Q119 WeakPolarHBondContact O-CA 3.19Å; R116-Q119 PolarHBondContact O-N 3.03Å; R116-F136 HydrophobicContact CB-CD1 4.22Å; R116-F136 HydrophobicContact CB-CE1 3.84Å; R116-F136 HydrophobicContact CB-CZ 4.28Å; R116-F136 HydrophobicContact CG-CD1 4.44Å; R116-F136 HydrophobicContact CG-CE1 4.5Å
117	D	91.9	Very high	91.7	Very high	86 Å²	86	63.2 Å²	63.2	46%	0.46	32%	0.322	S	S	.	.	H	α-helix	trans	-70.2	-20.3	178.9	-63.3	-11.9	0	0	0	111.9	Q113 Q119 R154	Q113-D117 PolarHBondContact NE2-OD1 2.87Å; Q113-D117 PolarHBondContact NE2-OD2 3.44Å; Q113-D117 WeakPolarHBondContact O-CB 3.44Å; Q113-D117 PolarHBondContact O-N 3.35Å; D117-Q119 VanDerWaalsContact C-N 3.33Å; D117-R154 IonicContact OD1-NH1 3.13Å; D117-R154 PolarHBondContact OD1-NH1 2.84Å
118	R	92.8	Very high	91.3	Very high	181 Å²	181	62.6 Å²	62.6	68%	0.683	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	5.2	167	-69.4	169.5	-177	-179.3	0.6	113.9	A114 A115 R116 Q120	A114-R118 WeakPolarHBondContact O-CB 3.4Å; A114-R118 WeakPolarHBondContact O-CD 3.28Å; A114-R118 WeakPolarHBondContact O-CG 3.47Å; A114-R118 PolarHBondContact O-N 3.48Å; A115-R118 CarbonylContact O-C 3.59Å; A115-R118 PolarHBondContact O-N 2.78Å; R116-R118 PolarHBondContact O-N 2.7Å; R118-Q120 HydrophobicContact CB-CG 4.13Å; R118-Q120 PolarHBondContact O-N 2.82Å
119	Q	92.6	Very high	90.8	Very high	179 Å²	179	64.6 Å²	64.6	84%	0.836	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	35.3	-178.3	-58.8	-176.8	-19.3	0	0	114.1	A115 R116 D117	A115-Q119 PolarHBondContact O-N 3.3Å; R116-Q119 WeakPolarHBondContact O-CA 3.19Å; R116-Q119 PolarHBondContact O-N 3.03Å; D117-Q119 VanDerWaalsContact C-N 3.33Å
120	Q	92.4	Very high	90.4	Very high	78 Å²	78	66 Å²	66	36%	0.364	35%	0.347	S	S	.	.			trans	-72	138.5	174.1	-63.3	-174.3	-38.9	0	0	110.3	A115 R118 F136	A115-Q120 HydrophobicContact CB-CB 4.39Å; A115-Q120 VanDerWaalsContact CB-OE1 3.27Å; A115-Q120 PolarHBondContact O-N 3.12Å; R118-Q120 HydrophobicContact CB-CG 4.13Å; R118-Q120 PolarHBondContact O-N 2.82Å; Q120-F136 WeakPolarHBondContact O-CD2 3.4Å
121	P	90.6	Very high	90	Very high	81 Å²	81	66.5 Å²	66.5	53%	0.526	35%	0.353	S	S	.	.	S	Bend	trans	-73	-29.4	179.5	28.1	-33.9	0	0	0	112.6	F136	P121-F136 PolarHBondContact O-N 2.99Å
122	W	91.9	Very high	89.9	Confident	147 Å²	147	68.4 Å²	68.4	56%	0.557	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.9	162.4	177.3	57.2	-97.6	0	0	0	111.4	D124 L133 I134	W122-D124 HydrophobicContact CZ3-CB 4.19Å; W122-L133 HydrophobicContact CB-CD1 4.25Å; W122-L133 HydrophobicContact CD2-CD1 4.16Å; W122-L133 HydrophobicContact CE3-CD1 3.58Å; W122-L133 HydrophobicContact CG-CD1 4.45Å; W122-L133 HydrophobicContact CZ3-CD1 4.29Å; W122-I134 CarbonylContact C-O 3.56Å; W122-I134 WeakPolarHBondContact CA-O 3.14Å; W122-I134 VanDerWaalsContact CB-O 3.23Å; W122-I134 WeakPolarHBondContact CB-O 3.41Å
123	L	94.4	Very high	89.8	Confident	30 Å²	30	71.4 Å²	71.4	16%	0.157	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	123.8	174.3	169.3	68	0	0	0	110.2	A111 I112 A115 L125 I134 F136	A111-L123 HydrophobicContact CB-CD2 4.24Å; I112-L123 HydrophobicContact CB-CD2 4.44Å; I112-L123 HydrophobicContact CG1-CD2 3.98Å; A115-L123 HydrophobicContact CB-CB 4.01Å; A115-L123 HydrophobicContact CB-CD1 4.25Å; A115-L123 HydrophobicContact CB-CD2 3.86Å; A115-L123 HydrophobicContact CB-CG 4.26Å; L123-L125 HydrophobicContact CD2-CD2 3.67Å; L123-L125 HydrophobicContact CG-CD2 3.93Å; L123-I134 HydrophobicContact CB-CB 4.28Å; L123-I134 PolarHBondContact N-O 3.06Å; L123-I134 PolarHBondContact O-N 3.01Å; L123-F136 HydrophobicContact CB-CE2 3.84Å; L123-F136 HydrophobicContact CB-CZ 4.3Å
124	D	90.7	Very high	89.8	Confident	71 Å²	71	71.2 Å²	71.2	38%	0.38	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	127.6	170.3	178.7	20.6	0	0	0	110.7	W122 A126 L133	W122-D124 HydrophobicContact CZ3-CB 4.19Å; D124-A126 VanDerWaalsContact OD1-CB 3.26Å; D124-A126 WeakPolarHBondContact OD1-CB 3.36Å; D124-A126 PolarHBondContact OD1-N 2.86Å; D124-A126 WeakPolarHBondContact OD2-CB 3.27Å; D124-L133 HydrophobicContact CB-CD1 4.22Å
125	L	90.5	Very high	89.8	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.005	36%	0.364	C	S	.	.			trans	-95.7	2.9	177.4	-56.2	178.8	0	0	0	113.3	V108 I112 L123 P127 L128 G129 F130 Y132 I134	V108-L125 HydrophobicContact CG1-CD1 3.72Å; V108-L125 HydrophobicContact CG1-CD2 4.17Å; I112-L125 HydrophobicContact CD1-CD1 4.49Å; I112-L125 HydrophobicContact CG1-CD2 4.34Å; L123-L125 HydrophobicContact CD2-CD2 3.67Å; L123-L125 HydrophobicContact CG-CD2 3.93Å; L125-P127 VanDerWaalsContact C-CD 3.43Å; L125-P127 VanDerWaalsContact C-N 3.33Å; L125-L128 HydrophobicContact CD2-CD1 4.21Å; L125-L128 WeakPolarHBondContact O-CA 3.3Å; L125-L128 PolarHBondContact O-N 2.89Å; L125-G129 PolarHBondContact O-N 3.46Å; L125-F130 CarbonylContact C-O 3.45Å; L125-F130 HydrophobicContact CB-CB 3.9Å; L125-F130 PolarHBondContact O-N 2.84Å; L125-Y132 VanDerWaalsContact CB-O 3.31Å; L125-Y132 WeakPolarHBondContact CB-O 3.44Å; L125-Y132 PolarHBondContact N-O 2.92Å; L125-I134 HydrophobicContact CD1-CD1 3.89Å; L125-I134 HydrophobicContact CD1-CG1 3.67Å; L125-I134 HydrophobicContact CD2-CG1 4.4Å; L125-I134 HydrophobicContact CG-CG1 3.94Å
126	A	86.4	Confident	89.9	Confident	55 Å²	55	72.4 Å²	72.4	46%	0.455	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-55.4	-38.5	175.6	0	0	0	0	0	113.8	D124 L128 G129 F130	D124-A126 VanDerWaalsContact OD1-CB 3.26Å; D124-A126 WeakPolarHBondContact OD1-CB 3.36Å; D124-A126 PolarHBondContact OD1-N 2.86Å; D124-A126 WeakPolarHBondContact OD2-CB 3.27Å; A126-L128 PolarHBondContact O-N 3.32Å; A126-G129 PolarHBondContact O-N 2.72Å; A126-F130 WeakPolarHBondContact CA-O 3.33Å; A126-F130 PolarHBondContact N-O 3.39Å
127	P	84.8	Confident	89.8	Confident	101 Å²	101	75.5 Å²	75.5	66%	0.656	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-61.8	-21.2	173.6	-24.4	35.8	0	0	0	114.6	L125	L125-P127 VanDerWaalsContact C-CD 3.43Å; L125-P127 VanDerWaalsContact C-N 3.33Å
128	L	81.4	Confident	89.7	Confident	77 Å²	77	74.4 Å²	74.4	40%	0.403	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-95.4	5.7	175.8	-59.8	179.1	0	0	0	112.8	V108 A111 L125 A126 F130	V108-L128 HydrophobicContact CG2-CD1 4.09Å; A111-L128 HydrophobicContact CB-CD1 3.73Å; L125-L128 HydrophobicContact CD2-CD1 4.21Å; L125-L128 WeakPolarHBondContact O-CA 3.3Å; L125-L128 PolarHBondContact O-N 2.89Å; A126-L128 PolarHBondContact O-N 3.32Å; L128-F130 HydrophobicContact CB-CD2 4.02Å; L128-F130 HydrophobicContact CB-CE2 4.4Å; L128-F130 VanDerWaalsContact O-CD2 3.25Å; L128-F130 WeakPolarHBondContact O-CD2 3.35Å; L128-F130 WeakPolarHBondContact O-CE2 3.28Å
129	G	82.5	Confident	89.7	Confident	45 Å²	45	68.5 Å²	68.5	46%	0.464	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	80	31.4	179.5	0	0	0	0	0	114.5	R18 L125 A126	R18-G129 PolarHBondContact NH2-O 2.85Å; L125-G129 PolarHBondContact O-N 3.46Å; A126-G129 PolarHBondContact O-N 2.72Å
130	F	84.2	Confident	89.8	Confident	38 Å²	38	61 Å²	61	17%	0.167	33%	0.334	C	S	.	.			trans	-128.7	130.3	175	-62.5	-92.5	0	0	0	110.9	D105 V108 L125 A126 L128 Y132	D105-F130 HydrophobicContact CB-CZ 4.49Å; V108-F130 HydrophobicContact CG2-CD2 3.85Å; V108-F130 HydrophobicContact CG2-CE2 3.42Å; V108-F130 VanDerWaalsContact CG2-CE2 3.42Å; V108-F130 HydrophobicContact CG2-CZ 3.97Å; L125-F130 CarbonylContact C-O 3.45Å; L125-F130 HydrophobicContact CB-CB 3.9Å; L125-F130 PolarHBondContact O-N 2.84Å; A126-F130 WeakPolarHBondContact CA-O 3.33Å; A126-F130 PolarHBondContact N-O 3.39Å; L128-F130 HydrophobicContact CB-CD2 4.02Å; L128-F130 HydrophobicContact CB-CE2 4.4Å; L128-F130 VanDerWaalsContact O-CD2 3.25Å; L128-F130 WeakPolarHBondContact O-CD2 3.35Å; L128-F130 WeakPolarHBondContact O-CE2 3.28Å; F130-Y132 HydrophobicContact CB-CD2 3.93Å; F130-Y132 HydrophobicContact CD1-CD2 4.27Å; F130-Y132 HydrophobicContact CD1-CE2 4.21Å; F130-Y132 PolarHBondContact O-N 3.09Å
131	C	85.8	Confident	89.8	Confident	43 Å²	43	57.5 Å²	57.5	29%	0.291	32%	0.318	S	S	.	.			trans	-79.5	36.7	179.1	58.1	0	0	0	0	113.8	N143 G144 Q145	C131-N143 WeakPolarHBondContact O-CA 3.42Å; C131-G144 PolarHBondContact O-N 3.39Å; C131-Q145 HydrophobicContact CB-CG 4.11Å
132	Y	90.1	Very high	89.9	Confident	67 Å²	67	55.2 Å²	55.2	26%	0.263	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	126	-174.8	-57.2	-49.2	0	0	0	111.6	L125 F130 I142 N143	L125-Y132 VanDerWaalsContact CB-O 3.31Å; L125-Y132 WeakPolarHBondContact CB-O 3.44Å; L125-Y132 PolarHBondContact N-O 2.92Å; F130-Y132 HydrophobicContact CB-CD2 3.93Å; F130-Y132 HydrophobicContact CD1-CD2 4.27Å; F130-Y132 HydrophobicContact CD1-CE2 4.21Å; F130-Y132 PolarHBondContact O-N 3.09Å; Y132-I142 WeakPolarHBondContact CA-O 3.44Å; Y132-N143 HydrophobicContact CD1-CB 4Å; Y132-N143 HydrophobicContact CE1-CB 3.92Å
133	L	91.7	Very high	89.7	Confident	62 Å²	62	49.2 Å²	49.2	33%	0.325	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.1	162.5	-176.8	70.2	0	0	0	108	W122 D124 Q141 I142	W122-L133 HydrophobicContact CB-CD1 4.25Å; W122-L133 HydrophobicContact CD2-CD1 4.16Å; W122-L133 HydrophobicContact CE3-CD1 3.58Å; W122-L133 HydrophobicContact CG-CD1 4.45Å; W122-L133 HydrophobicContact CZ3-CD1 4.29Å; D124-L133 HydrophobicContact CB-CD1 4.22Å; L133-Q141 CarbonylContact O-C 3.5Å; L133-Q141 WeakPolarHBondContact O-CA 3.36Å; L133-I142 HydrophobicContact CB-CB 4.48Å; L133-I142 PolarHBondContact N-O 2.92Å; L133-I142 PolarHBondContact O-N 3.37Å
134	I	95	Very high	88.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.5	170.4	-58.7	-64.9	0	0	0	108.1	I112 W122 L123 L125 F136 Q141 I152	I112-I134 HydrophobicContact CD1-CD1 4.06Å; I112-I134 HydrophobicContact CD1-CG1 4.12Å; I112-I134 HydrophobicContact CG1-CG1 4.16Å; W122-I134 CarbonylContact C-O 3.56Å; W122-I134 WeakPolarHBondContact CA-O 3.14Å; W122-I134 VanDerWaalsContact CB-O 3.23Å; W122-I134 WeakPolarHBondContact CB-O 3.41Å; L123-I134 HydrophobicContact CB-CB 4.28Å; L123-I134 PolarHBondContact N-O 3.06Å; L123-I134 PolarHBondContact O-N 3.01Å; L125-I134 HydrophobicContact CD1-CD1 3.89Å; L125-I134 HydrophobicContact CD1-CG1 3.67Å; L125-I134 HydrophobicContact CD2-CG1 4.4Å; L125-I134 HydrophobicContact CG-CG1 3.94Å; I134-F136 HydrophobicContact CG2-CD1 4.27Å; I134-F136 HydrophobicContact CG2-CD2 4.45Å; I134-F136 HydrophobicContact CG2-CE1 3.95Å; I134-F136 HydrophobicContact CG2-CE2 4.15Å; I134-F136 HydrophobicContact CG2-CZ 3.89Å; I134-Q141 HydrophobicContact CD1-CB 3.65Å; I134-I152 HydrophobicContact CD1-CD1 4.35Å; I134-I152 HydrophobicContact CG2-CD1 3.63Å
135	D	92.7	Very high	88.2	Confident	39 Å²	39	54.2 Å²	54.2	21%	0.209	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.4	171.4	171.4	6.7	0	0	0	108.6	E137 S138 M139 T140 I142	D135-E137 WeakPolarHBondContact OD1-CA 3.23Å; D135-E137 WeakPolarHBondContact OD1-CB 3.46Å; D135-E137 PolarHBondContact OD1-N 3.27Å; D135-S138 PolarHBondContact OD1-N 2.77Å; D135-S138 WeakPolarHBondContact OD2-CB 3.43Å; D135-S138 PolarHBondContact OD2-N 2.76Å; D135-S138 PolarHBondContact OD2-OG 2.81Å; D135-M139 VanDerWaalsContact O-CA 3.25Å; D135-M139 WeakPolarHBondContact O-CA 3.23Å; D135-M139 PolarHBondContact O-N 2.81Å; D135-M139 VanDerWaalsContact O-N 3.08Å; D135-T140 PolarHBondContact N-O 3.34Å; D135-T140 PolarHBondContact O-N 2.89Å; D135-T140 VanDerWaalsContact O-N 3.12Å; D135-I142 HydrophobicContact CB-CD1 4.47Å
136	F	93.3	Very high	87.9	Confident	28 Å²	28	58.3 Å²	58.3	12%	0.123	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-14.7	-179.2	-66.6	-74	0	0	0	113.4	W92 I112 A115 R116 Q120 P121 L123 I134	W92-F136 HydrophobicContact CH2-CD1 4.3Å; W92-F136 AromaticContact CH2-CE1 3.95Å; W92-F136 HydrophobicContact CH2-CE1 3.95Å; W92-F136 HydrophobicContact CZ2-CE1 4.39Å; I112-F136 HydrophobicContact CG2-CE1 3.6Å; I112-F136 HydrophobicContact CG2-CZ 3.84Å; I112-F136 WeakPolarHBondContact O-CZ 3.15Å; A115-F136 HydrophobicContact CB-CE2 3.81Å; A115-F136 HydrophobicContact CB-CZ 3.85Å; R116-F136 HydrophobicContact CB-CD1 4.22Å; R116-F136 HydrophobicContact CB-CE1 3.84Å; R116-F136 HydrophobicContact CB-CZ 4.28Å; R116-F136 HydrophobicContact CG-CD1 4.44Å; R116-F136 HydrophobicContact CG-CE1 4.5Å; Q120-F136 WeakPolarHBondContact O-CD2 3.4Å; P121-F136 PolarHBondContact O-N 2.99Å; L123-F136 HydrophobicContact CB-CE2 3.84Å; L123-F136 HydrophobicContact CB-CZ 4.3Å; I134-F136 HydrophobicContact CG2-CD1 4.27Å; I134-F136 HydrophobicContact CG2-CD2 4.45Å; I134-F136 HydrophobicContact CG2-CE1 3.95Å; I134-F136 HydrophobicContact CG2-CE2 4.15Å; I134-F136 HydrophobicContact CG2-CZ 3.89Å
137	E	90.3	Very high	87.8	Confident	177 Å²	177	62.1 Å²	62.1	83%	0.827	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-47.1	175.2	-172.7	172.8	-173.6	0	0	110.4	D135	D135-E137 WeakPolarHBondContact OD1-CA 3.23Å; D135-E137 WeakPolarHBondContact OD1-CB 3.46Å; D135-E137 PolarHBondContact OD1-N 3.27Å
138	S	89.6	Confident	87.9	Confident	62 Å²	62	63.2 Å²	63.2	43%	0.434	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-11.9	173.2	71	0	0	0	0	114.6	D135 T140	D135-S138 PolarHBondContact OD1-N 2.77Å; D135-S138 WeakPolarHBondContact OD2-CB 3.43Å; D135-S138 PolarHBondContact OD2-N 2.76Å; D135-S138 PolarHBondContact OD2-OG 2.81Å; S138-T140 VanDerWaalsContact C-N 3.34Å; S138-T140 PolarHBondContact OG-OG1 3.33Å
139	M	93.8	Very high	88.3	Confident	58 Å²	58	63.1 Å²	63.1	29%	0.286	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	51.2	-169.5	-72.1	-74.4	-66.7	0	0	111.8	W92 D135 I152	W92-M139 HydrophobicContact CH2-CE 4.28Å; W92-M139 HydrophobicContact CZ3-CE 3.86Å; W92-M139 HydrophobicContact CZ3-SD 4.44Å; D135-M139 VanDerWaalsContact O-CA 3.25Å; D135-M139 WeakPolarHBondContact O-CA 3.23Å; D135-M139 PolarHBondContact O-N 2.81Å; D135-M139 VanDerWaalsContact O-N 3.08Å; M139-I152 HydrophobicContact CB-CG1 4.43Å; M139-I152 HydrophobicContact CE-CG1 4.28Å; M139-I152 WeakPolarHBondContact O-CG1 3.47Å; M139-I152 PolarHBondContact O-N 2.81Å
140	T	93.4	Very high	88.8	Confident	22 Å²	22	63 Å²	63	14%	0.135	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	156.9	175.7	68.5	0	0	0	0	113.1	D135 S138 R150	D135-T140 PolarHBondContact N-O 3.34Å; D135-T140 PolarHBondContact O-N 2.89Å; D135-T140 VanDerWaalsContact O-N 3.12Å; S138-T140 VanDerWaalsContact C-N 3.34Å; S138-T140 PolarHBondContact OG-OG1 3.33Å; T140-R150 CarbonylContact C-O 3.46Å; T140-R150 WeakPolarHBondContact CA-O 3.42Å; T140-R150 VanDerWaalsContact CB-O 3.25Å; T140-R150 WeakPolarHBondContact CB-O 3.5Å
141	Q	93.6	Very high	89.2	Confident	3 Å²	3	68 Å²	68	1%	0.014	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.2	160.7	60.6	150.6	85.7	0	0	109.8	Y104 L133 I134 C149 R150 I152	Y104-Q141 PolarHBondContact OH-OE1 3.03Å; L133-Q141 CarbonylContact O-C 3.5Å; L133-Q141 WeakPolarHBondContact O-CA 3.36Å; I134-Q141 HydrophobicContact CD1-CB 3.65Å; Q141-C149 CarbonylContact O-C 3.6Å; Q141-C149 VanDerWaalsContact O-CA 3.25Å; Q141-C149 WeakPolarHBondContact O-CA 3.05Å; Q141-R150 HydrophobicContact CG-CB 3.85Å; Q141-R150 HydrophobicContact CG-CG 4.48Å; Q141-R150 PolarHBondContact N-O 3.5Å; Q141-R150 PolarHBondContact O-N 2.82Å; Q141-I152 HydrophobicContact CB-CG2 3.9Å; Q141-I152 HydrophobicContact CG-CG2 3.88Å
142	I	91.2	Very high	89.7	Confident	34 Å²	34	66.2 Å²	66.2	17%	0.174	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.9	-177.7	-50.4	177.9	0	0	0	108.2	Y132 L133 D135 G144	Y132-I142 WeakPolarHBondContact CA-O 3.44Å; L133-I142 HydrophobicContact CB-CB 4.48Å; L133-I142 PolarHBondContact N-O 2.92Å; L133-I142 PolarHBondContact O-N 3.37Å; D135-I142 HydrophobicContact CB-CD1 4.47Å; I142-G144 PolarHBondContact O-N 2.93Å
143	N	87.7	Confident	89.9	Confident	21 Å²	21	65.2 Å²	65.2	11%	0.112	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	113.4	173.5	-175	-26.2	0	0	0	110.5	C131 Y132 Q145 T146 Q147 R148	C131-N143 WeakPolarHBondContact O-CA 3.42Å; Y132-N143 HydrophobicContact CD1-CB 4Å; Y132-N143 HydrophobicContact CE1-CB 3.92Å; N143-Q145 PolarHBondContact O-N 3.46Å; N143-Q145 WeakPolarHBondContact OD1-CB 3.45Å; N143-Q145 PolarHBondContact OD1-N 3.24Å; N143-T146 WeakPolarHBondContact CB-OG1 3.27Å; N143-T146 VanDerWaalsContact CG-OG1 3.26Å; N143-T146 PolarHBondContact ND2-OG1 3.44Å; N143-T146 PolarHBondContact O-N 3.28Å; N143-T146 PolarHBondContact OD1-N 2.93Å; N143-Q147 WeakPolarHBondContact O-CA 3.23Å; N143-Q147 PolarHBondContact O-N 3.34Å; N143-R148 HydrophobicContact CB-CB 4.42Å; N143-R148 PolarHBondContact N-O 2.73Å
144	G	77.5	Confident	90	Very high	48 Å²	48	65.1 Å²	65.1	50%	0.495	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.2	-179.5	0	0	0	0	0	114.1	C131 I142 Q147	C131-G144 PolarHBondContact O-N 3.39Å; I142-G144 PolarHBondContact O-N 2.93Å; G144-Q147 PolarHBondContact O-NE2 2.68Å
145	Q	77.4	Confident	89.8	Confident	157 Å²	157	69.2 Å²	69.2	73%	0.734	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-35.5	178.9	-62.5	-179.9	-12.1	0	0	113.2	C131 N143	C131-Q145 HydrophobicContact CB-CG 4.11Å; N143-Q145 PolarHBondContact O-N 3.46Å; N143-Q145 WeakPolarHBondContact OD1-CB 3.45Å; N143-Q145 PolarHBondContact OD1-N 3.24Å
146	T	83.4	Confident	89.6	Confident	87 Å²	87	70.9 Å²	70.9	53%	0.534	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	0	-172.4	71.8	0	0	0	0	114.6	N143 R148	N143-T146 WeakPolarHBondContact CB-OG1 3.27Å; N143-T146 VanDerWaalsContact CG-OG1 3.26Å; N143-T146 PolarHBondContact ND2-OG1 3.44Å; N143-T146 PolarHBondContact O-N 3.28Å; N143-T146 PolarHBondContact OD1-N 2.93Å; T146-R148 PolarHBondContact O-N 2.91Å; T146-R148 WeakPolarHBondContact OG1-CB 3.49Å
147	Q	85.1	Confident	89.3	Confident	135 Å²	135	72.6 Å²	72.6	63%	0.631	37%	0.371	S	S	*	.			trans	50.7	25.1	-174	-59	-60.5	-53	0	0	113.8	N143 G144	N143-Q147 WeakPolarHBondContact O-CA 3.23Å; N143-Q147 PolarHBondContact O-N 3.34Å; G144-Q147 PolarHBondContact O-NE2 2.68Å
148	R	85.4	Confident	89.3	Confident	124 Å²	124	68.3 Å²	68.3	47%	0.468	35%	0.354	S	S	.	.			trans	-87.7	114	-178.8	-168.6	172.3	-168.7	-142.8	-12.8	110.6	D97 N143 T146 R150	D97-R148 IonicContact OD1-CZ 3.26Å; D97-R148 VanDerWaalsContact OD1-CZ 3.24Å; D97-R148 IonicContact OD1-NH1 3.57Å; D97-R148 PolarHBondContact OD1-NH1 2.8Å; D97-R148 VanDerWaalsContact OD1-NH1 3.13Å; D97-R148 IonicContact OD1-NH2 2.83Å; D97-R148 PolarHBondContact OD1-NH2 3.2Å; D97-R148 IonicContact OD2-CZ 3.71Å; D97-R148 IonicContact OD2-NH1 2.59Å; D97-R148 PolarHBondContact OD2-NH1 3.03Å; D97-R148 IonicContact OD2-NH2 3.35Å; N143-R148 HydrophobicContact CB-CB 4.42Å; N143-R148 PolarHBondContact N-O 2.73Å; T146-R148 PolarHBondContact O-N 2.91Å; T146-R148 WeakPolarHBondContact OG1-CB 3.49Å; R148-R150 VanDerWaalsContact NH1-NH2 3.17Å
149	C	89.8	Confident	89.3	Confident	75 Å²	75	67.1 Å²	67.1	51%	0.507	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	147.8	174.7	-52.1	0	0	0	0	111.7	Q141	Q141-C149 CarbonylContact O-C 3.6Å; Q141-C149 VanDerWaalsContact O-CA 3.25Å; Q141-C149 WeakPolarHBondContact O-CA 3.05Å
150	R	92.9	Very high	89.3	Confident	42 Å²	42	65 Å²	65	16%	0.158	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	148.9	167.4	-54.2	175.3	167.8	-74.2	-2.4	109.3	E95 D97 T140 Q141 R148	E95-R150 WeakPolarHBondContact O-CD 3.29Å; E95-R150 PolarHBondContact O-NH1 3.33Å; D97-R150 IonicContact OD1-CZ 3.74Å; D97-R150 VanDerWaalsContact OD1-CZ 3.25Å; D97-R150 IonicContact OD1-NH1 3.66Å; D97-R150 PolarHBondContact OD1-NH1 2.86Å; D97-R150 IonicContact OD1-NH2 3.66Å; D97-R150 PolarHBondContact OD1-NH2 3.16Å; D97-R150 IonicContact OD2-CZ 3.89Å; D97-R150 IonicContact OD2-NH1 2.73Å; D97-R150 IonicContact OD2-NH2 2.74Å; D97-R150 PolarHBondContact OD2-NH2 2.82Å; T140-R150 CarbonylContact C-O 3.46Å; T140-R150 WeakPolarHBondContact CA-O 3.42Å; T140-R150 VanDerWaalsContact CB-O 3.25Å; T140-R150 WeakPolarHBondContact CB-O 3.5Å; Q141-R150 HydrophobicContact CG-CB 3.85Å; Q141-R150 HydrophobicContact CG-CG 4.48Å; Q141-R150 PolarHBondContact N-O 3.5Å; Q141-R150 PolarHBondContact O-N 2.82Å; R148-R150 VanDerWaalsContact NH1-NH2 3.17Å
151	R	94.2	Very high	89.2	Confident	143 Å²	143	64 Å²	64	54%	0.54	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	148.6	174.7	-63.4	-173.1	-68.4	-179.2	-0.5	111.5	E95 W101	E95-R151 HydrophobicContact CB-CB 4.34Å; E95-R151 VanDerWaalsContact CD-NH2 3.31Å; E95-R151 PolarHBondContact N-O 3.33Å; E95-R151 IonicContact OE1-CZ 3.12Å; E95-R151 IonicContact OE1-NE 3.54Å; E95-R151 IonicContact OE1-NH2 2.72Å; E95-R151 PolarHBondContact OE1-NH2 3.08Å; E95-R151 IonicContact OE2-CZ 3.91Å; E95-R151 IonicContact OE2-NE 2.7Å; E95-R151 PolarHBondContact OE2-NE 3.07Å; E95-R151 IonicContact OE2-NH2 3.65Å; E95-R151 PolarHBondContact OE2-NH2 3.34Å; W101-R151 HydrophobicContact CH2-CB 3.91Å
152	I	96	Very high	89	Confident	7 Å²	7	68.8 Å²	68.8	4%	0.036	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	155.2	170.8	67.4	163.9	0	0	0	110.4	W92 E93 W94 Y104 I134 M139 Q141	W92-I152 HydrophobicContact CE3-CD1 4.27Å; W92-I152 HydrophobicContact CZ3-CD1 3.79Å; W92-I152 HydrophobicContact CZ3-CG1 4.43Å; E93-I152 CarbonylContact O-C 3.55Å; E93-I152 VanDerWaalsContact O-CA 3.31Å; E93-I152 WeakPolarHBondContact O-CA 3.33Å; W94-I152 HydrophobicContact CB-CG2 4.15Å; Y104-I152 HydrophobicContact CE2-CG2 4.14Å; Y104-I152 WeakPolarHBondContact OH-CG2 3.33Å; I134-I152 HydrophobicContact CD1-CD1 4.35Å; I134-I152 HydrophobicContact CG2-CD1 3.63Å; M139-I152 HydrophobicContact CB-CG1 4.43Å; M139-I152 HydrophobicContact CE-CG1 4.28Å; M139-I152 WeakPolarHBondContact O-CG1 3.47Å; M139-I152 PolarHBondContact O-N 2.81Å; Q141-I152 HydrophobicContact CB-CG2 3.9Å; Q141-I152 HydrophobicContact CG-CG2 3.88Å
153	Q	93.8	Very high	88.8	Confident	46 Å²	46	68.8 Å²	68.8	22%	0.215	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	147.6	174.1	70.3	-177.9	4.8	0	0	112.3	W92 E93 W101 R155	W92-Q153 WeakPolarHBondContact CA-O 3.39Å; E93-Q153 HydrophobicContact CB-CG 4.04Å; E93-Q153 PolarHBondContact N-O 3.16Å; E93-Q153 PolarHBondContact O-N 2.59Å; E93-Q153 PolarHBondContact OE2-NE2 2.94Å; W101-Q153 VanDerWaalsContact CD2-CD 3.44Å; W101-Q153 HydrophobicContact CD2-CG 4.01Å; W101-Q153 VanDerWaalsContact CD2-NE2 3.3Å; W101-Q153 HydrophobicContact CE3-CB 4.45Å; W101-Q153 HydrophobicContact CE3-CG 3.64Å; W101-Q153 VanDerWaalsContact CG-NE2 3.29Å; W101-Q153 HydrophobicContact CH2-CB 4.07Å; W101-Q153 HydrophobicContact CH2-CG 4.09Å; W101-Q153 HydrophobicContact CZ2-CG 4.43Å; W101-Q153 HydrophobicContact CZ3-CB 3.99Å; W101-Q153 HydrophobicContact CZ3-CG 3.69Å; Q153-R155 VanDerWaalsContact NE2-CD 3.34Å
154	R	93.3	Very high	88.2	Confident	59 Å²	59	71.1 Å²	71.1	22%	0.223	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.4	165.3	173.2	171.1	159.7	172.1	-7.7	107.8	W90 W92 Q113 D117	W90-R154 HydrophobicContact CE3-CG 3.8Å; W90-R154 HydrophobicContact CZ3-CG 4.28Å; W92-R154 HydrophobicContact CD2-CB 3.89Å; W92-R154 HydrophobicContact CD2-CG 4.43Å; W92-R154 HydrophobicContact CE3-CB 3.87Å; W92-R154 HydrophobicContact CH2-CB 3.77Å; W92-R154 HydrophobicContact CZ2-CB 3.75Å; W92-R154 HydrophobicContact CZ2-CG 4.08Å; W92-R154 HydrophobicContact CZ3-CB 3.81Å; Q113-R154 VanDerWaalsContact CD-NH1 3.25Å; Q113-R154 VanDerWaalsContact OE1-CZ 3.25Å; D117-R154 IonicContact OD1-NH1 3.13Å; D117-R154 PolarHBondContact OD1-NH1 2.84Å
155	R	91.1	Very high	87.5	Confident	87 Å²	87	69.6 Å²	69.6	33%	0.328	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	144.4	171.7	-83	172.5	50.4	-121.1	-17.4	110	L91 E93 Q153 D157	L91-R155 PolarHBondContact N-O 2.99Å; L91-R155 PolarHBondContact O-N 3.13Å; E93-R155 IonicContact OE1-NH1 2.98Å; E93-R155 PolarHBondContact OE1-NH1 2.9Å; E93-R155 WeakPolarHBondContact OE2-CD 3.38Å; E93-R155 IonicContact OE2-CZ 2.71Å; E93-R155 IonicContact OE2-NH1 2.81Å; E93-R155 PolarHBondContact OE2-NH1 3.01Å; Q153-R155 VanDerWaalsContact NE2-CD 3.34Å; R155-D157 IonicContact CZ-OD2 3.8Å; R155-D157 IonicContact NH2-OD2 3.25Å; R155-D157 PolarHBondContact NH2-OD2 2.85Å
156	A	89.3	Confident	86.2	Confident	74 Å²	74	68.4 Å²	68.4	61%	0.612	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	135.8	156.3	0	0	0	0	0	108	W90	W90-A156 HydrophobicContact CE3-CB 4.35Å; W90-A156 HydrophobicContact CH2-CB 4.43Å; W90-A156 HydrophobicContact CZ3-CB 3.85Å
157	D	86.8	Confident	84.5	Confident	63 Å²	63	68.1 Å²	68.1	34%	0.337	36%	0.36	S	S	.	.			trans	-142.2	179.5	177	-149.2	-45.8	0	0	0	108.1	P24 G89 L91 R155 A159	P24-D157 HydrophobicContact CG-CB 4.49Å; G89-D157 PolarHBondContact O-N 3Å; L91-D157 HydrophobicContact CB-CB 4.34Å; R155-D157 IonicContact CZ-OD2 3.8Å; R155-D157 IonicContact NH2-OD2 3.25Å; R155-D157 PolarHBondContact NH2-OD2 2.85Å; D157-A159 PolarHBondContact O-N 3.15Å
158	L	89.6	Confident	82.6	Confident	88 Å²	88	66.1 Å²	66.1	46%	0.461	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-60.4	133.1	173.5	174.6	64	0	0	0	110.3	P24	P24-L158 HydrophobicContact CB-CB 4.02Å; P24-L158 HydrophobicContact CB-CD2 4.49Å; P24-L158 HydrophobicContact CB-CG 4.25Å; P24-L158 WeakPolarHBondContact CB-O 3.45Å; P24-L158 WeakPolarHBondContact CG-O 3.21Å
159	A	90.6	Very high	80.2	Confident	37 Å²	37	71.5 Å²	71.5	31%	0.306	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-62.1	139.2	172.7	0	0	0	0	0	111.1	H28 G87 D157	H28-A159 PolarHBondContact NE2-O 2.99Å; G87-A159 WeakPolarHBondContact O-CB 3.48Å; D157-A159 PolarHBondContact O-N 3.15Å
160	Y	92.4	Very high	77.6	Confident	13 Å²	13	72.6 Å²	72.6	5%	0.051	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-66.7	155.2	-179.2	-77.7	-98.4	0	0	0	111.7	V7 V9 Y22 P24 C27 P86 L162	V7-Y160 VanDerWaalsContact CG1-CB 3.4Å; V9-Y160 HydrophobicContact CB-CD1 4.27Å; V9-Y160 HydrophobicContact CB-CE1 4.43Å; V9-Y160 HydrophobicContact CG1-CD1 4.14Å; V9-Y160 HydrophobicContact CG1-CE1 3.8Å; V9-Y160 HydrophobicContact CG2-CD1 3.78Å; V9-Y160 HydrophobicContact CG2-CD2 4.47Å; V9-Y160 HydrophobicContact CG2-CE1 4.17Å; V9-Y160 HydrophobicContact CG2-CG 3.95Å; Y22-Y160 WeakPolarHBondContact O-CE1 3.22Å; Y22-Y160 PolarHBondContact O-OH 3Å; P24-Y160 HydrophobicContact CB-CD1 4.27Å; P24-Y160 HydrophobicContact CB-CD2 4.26Å; P24-Y160 HydrophobicContact CB-CE1 4.34Å; P24-Y160 HydrophobicContact CB-CE2 4.37Å; P24-Y160 HydrophobicContact CB-CG 4.24Å; P24-Y160 HydrophobicContact CG-CD2 4.03Å; P24-Y160 HydrophobicContact CG-CE1 4.2Å; P24-Y160 HydrophobicContact CG-CE2 3.71Å; P24-Y160 HydrophobicContact CG-CG 4.46Å; C27-Y160 HydrophobicContact CB-CD1 3.97Å; C27-Y160 HydrophobicContact CB-CE1 4.4Å; P86-Y160 HydrophobicContact CB-CD2 3.41Å; P86-Y160 VanDerWaalsContact CB-CD2 3.41Å; P86-Y160 HydrophobicContact CB-CE2 3.9Å; P86-Y160 HydrophobicContact CB-CG 4.01Å; P86-Y160 WeakPolarHBondContact O-CD2 3.37Å; P86-Y160 PolarHBondContact O-N 3.29Å; Y160-L162 PolarHBondContact O-N 2.92Å
161	P	92	Very high	74.9	Confident	2 Å²	2	78.8 Å²	78.8	1%	0.013	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-53	125.4	-174.1	-27.8	32.6	0	0	0	114.6	V7 V8 C27 H28 E31	V7-P161 CarbonylContact C-O 3.51Å; V7-P161 WeakPolarHBondContact CA-O 3.48Å; V8-P161 PolarHBondContact N-O 3.01Å; V8-P161 WeakPolarHBondContact O-CD 3.46Å; C27-P161 HydrophobicContact CB-CG 3.9Å; H28-P161 HydrophobicContact CB-CG 4.22Å; E31-P161 HydrophobicContact CB-CB 4.29Å; E31-P161 HydrophobicContact CB-CG 4.41Å; E31-P161 HydrophobicContact CG-CB 3.89Å; E31-P161 HydrophobicContact CG-CG 4.03Å
162	L	90.3	Very high	72	Confident	102 Å²	102	80.4 Å²	80.4	53%	0.534	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.5	168.1	-73.6	166.9	0	0	0	110.4	V7 P82 Y160	V7-L162 HydrophobicContact CG2-CD2 3.56Å; V7-L162 HydrophobicContact CG2-CG 4.49Å; P82-L162 HydrophobicContact CB-CD2 4.03Å; P82-L162 HydrophobicContact CG-CD2 3.87Å; Y160-L162 PolarHBondContact O-N 2.92Å
163	V	85.7	Confident	68.8	Low	35 Å²	35	84.1 Å²	84.1	21%	0.212	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.2	176	179.5	0	0	0	0	109.3	S5 A6 V8 E31	S5-V163 WeakPolarHBondContact CA-O 3.37Å; A6-V163 PolarHBondContact N-O 2.66Å; A6-V163 PolarHBondContact O-N 3.45Å; V8-V163 HydrophobicContact CB-CG2 4.49Å; V8-V163 HydrophobicContact CG2-CB 3.9Å; V8-V163 HydrophobicContact CG2-CG2 3.57Å; E31-V163 WeakPolarHBondContact OE2-CG2 3.29Å
164	S	75	Confident	65.6	Low	69 Å²	69	93.8 Å²	93.8	48%	0.483	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.8	178.5	-52.2	0	0	0	0	110.4	S5	S5-S164 PolarHBondContact OG-OG 3.19Å
165	G	64.4	Low	62.4	Low	17 Å²	17	94 Å²	94	18%	0.175	52%	0.518	C	S	.	.	S	Bend	trans	171.5	-174.5	179.5	0	0	0	0	0	113.5	A4 L167	A4-G165 PolarHBondContact O-N 2.97Å; A4-G165 VanDerWaalsContact O-N 3.15Å; G165-L167 PolarHBondContact O-N 2.92Å; G165-L167 VanDerWaalsContact O-N 3.08Å
166	P	49.1	Very low	59.6	Low	132 Å²	132	96.5 Å²	96.5	86%	0.857	55%	0.546	S	S	*	.			trans	-69.1	103.2	170.6	28.9	-32.6	0	0	0	109.5
167	L	47.7	Very low	56.6	Low	80 Å²	80	97.6 Å²	97.6	42%	0.419	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-65.1	133.7	179.3	-63.3	178.3	0	0	0	111	A4 A6 F79 G165	A4-L167 HydrophobicContact CB-CD1 3.63Å; A4-L167 HydrophobicContact CB-CG 3.86Å; A6-L167 HydrophobicContact CB-CD1 4.21Å; A6-L167 HydrophobicContact CB-CD2 3.59Å; F79-L167 HydrophobicContact CD1-CD2 4.39Å; G165-L167 PolarHBondContact O-N 2.92Å; G165-L167 VanDerWaalsContact O-N 3.08Å
168	P	45.7	Very low	53.7	Low	93 Å²	93	100.1 Å²	100.1	60%	0.604	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-55.2	140.6	160.5	-21.3	33.2	0	0	0	109.8	F79 S170	F79-P168 HydrophobicContact CE2-CG 4.49Å; P168-S170 PolarHBondContact O-N 3.02Å
169	R	35.7	Very low	50.8	Low	237 Å²	237	104.4 Å²	104.4	89%	0.894	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-59.8	136.1	177	-76.2	-179.1	171.9	162.2	-2.7	110.2
170	S	34.9	Very low	47.9	Very low	99 Å²	99	108.4 Å²	108.4	69%	0.692	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-60.5	140.5	176.3	47.8	0	0	0	0	111.2	P168 H172	P168-S170 PolarHBondContact O-N 3.02Å; S170-H172 PolarHBondContact O-N 3.08Å
171	H	36.3	Very low	44.8	Very low	171 Å²	171	110.7 Å²	110.7	79%	0.792	65%	0.648	S	S	*	*	S	Bend	trans	-77.9	43.7	-176.9	-89.5	-99.8	0	0	0	113.3
172	H	32.3	Very low	41.9	Very low	177 Å²	177	122.5 Å²	122.5	82%	0.819	69%	0.694	S	S	*	*	S	Bend	trans	-132.1	29.8	-177.4	-70	-64.1	0	0	0	114.4	S170	S170-H172 PolarHBondContact O-N 3.08Å
173	A	28.6	Very low	38.8	Very low	85 Å²	85	121 Å²	121	70%	0.702	70%	0.703	S	S	*	*			trans	-160.8	108.9	161	0	0	0	0	0	112.5
174	W	26.8	Very low	36	Very low	249 Å²	249	123.3 Å²	123.3	94%	0.943	73%	0.734	S	S	*	*			trans	-124	79.2	164.1	-91.4	55.6	0	0	0	109.6
175	G	25.9	Very low	33.7	Very low	63 Å²	63	128.2 Å²	128.2	65%	0.649	75%	0.754	S	S	*	*			trans	-82.8	156.2	159.7	0	0	0	0	0	110.5	A177	G175-A177 PolarHBondContact O-N 2.98Å
176	P	31.7	Very low	32	Very low	141 Å²	141	135.6 Å²	135.6	92%	0.916	79%	0.788	S	S	*	*			trans	-74	111.4	-172.8	29.2	-34.4	0	0	0	112.1
177	A	27.1	Very low	30.9	Very low	96 Å²	96	132.9 Å²	132.9	79%	0.793	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-93.4	118.1	166.6	0	0	0	0	0	109.9	G175	G175-A177 PolarHBondContact O-N 2.98Å
178	S	26.1	Very low	29.9	Very low	116 Å²	116	135.3 Å²	135.3	81%	0.811	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-70.8	136.3	176	43.1	0	0	0	0	111.8
179	M	27.8	Very low	28.9	Very low	178 Å²	178	137.6 Å²	137.6	88%	0.877	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-94.1	127.7	169.5	-75.5	-72	-177.7	0	0	110.4
180	P	31.1	Very low	28.4	Very low	122 Å²	122	132.6 Å²	132.6	79%	0.792	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71.5	152.1	152.6	32.6	-31.6	0	0	0	109.6
181	G	25.8	Very low	28.1	Very low	61 Å²	61	133.5 Å²	133.5	63%	0.629	81%	0.811	S	S	*	*			trans	-112	-173.4	-175	0	0	0	0	0	114.7
182	Y	31.4	Very low	27.5	Very low	249 Å²	249	129 Å²	129	98%	0.976	81%	0.812	S	S	*	*			trans	65.8	151.6	-171.3	-60.5	-90.5	0	0	0	114
183	G	25.6	Very low	27.2	Very low	71 Å²	71	128 Å²	128	73%	0.732	82%	0.817	S	S	*	*			cis	-165.3	149.6	-6.8	0	0	0	0	0	108.9
184	G	27.4	Very low	27.1	Very low	83 Å²	83	127.2 Å²	127.2	86%	0.856	82%	0.818	S	S	*	*			trans	-88.5	151.3	-172	0	0	0	0	0	114.4
185	L	27.4	Very low	27	Very low	173 Å²	173	124.4 Å²	124.4	91%	0.906	82%	0.817	S	S	*	*			trans	-157.4	172.8	154.9	-114.7	170.6	0	0	0	111.2
186	L	28.3	Very low	26.9	Very low	171 Å²	171	124.8 Å²	124.8	90%	0.895	82%	0.822	S	S	*	*			trans	-85.5	150.4	-171.6	-62.3	162	0	0	0	112.2
187	G	26	Very low	26.6	Very low	75 Å²	75	127.7 Å²	127.7	77%	0.773	83%	0.826	S	S	*	*			trans	-171.5	140.9	171.1	0	0	0	0	0	111.3
188	V	26.8	Very low	26.5	Very low	132 Å²	132	133.7 Å²	133.7	80%	0.8	83%	0.827	S	S	*	*			trans	-126	165.3	179.8	-167.7	0	0	0	0	108.4
189	D	23.6	Very low	26.4	Very low	141 Å²	141	135.8 Å²	135.8	75%	0.754	83%	0.826	S	S	*	*			trans	95.1	127.5	156.3	-73.5	-53	0	0	0	122.5
190	V	26.9	Very low	26.3	Very low	131 Å²	131	133.1 Å²	133.1	79%	0.794	83%	0.826	S	S	*	*			trans	76.4	136.3	135.1	173	0	0	0	0	121.6
191	S	27.6	Very low	26	Very low	118 Å²	118	133.2 Å²	133.2	83%	0.825	83%	0.829	S	S	*	*			trans	-66.3	152.7	179.1	-44.7	0	0	0	0	115
192	G	24.6	Very low	25.9	Very low	78 Å²	78	134.3 Å²	134.3	80%	0.804	84%	0.84	S	S	*	*			trans	-143.2	143.4	163.7	0	0	0	0	0	111.4
193	V	26.1	Very low	25.5	Very low	154 Å²	154	125.8 Å²	125.8	93%	0.933	83%	0.828	S	S	*	*			trans	-130.3	138	-176.3	178.3	0	0	0	0	109.1
194	G	24.7	Very low	25.5	Very low	69 Å²	69	131 Å²	131	71%	0.711	84%	0.837	S	S	*	*			trans	165.6	151.1	167.2	0	0	0	0	0	117.2
195	M	25.6	Very low	25.3	Very low	190 Å²	190	130.6 Å²	130.6	94%	0.936	83%	0.833	S	S	*	*			trans	-52	160	170	-75.5	60.8	168	0	0	113.4
196	G	23.6	Very low	25.3	Very low	72 Å²	72	130.9 Å²	130.9	74%	0.742	84%	0.836	S	S	*	*			cis	117	117.4	3.6	0	0	0	0	0	113
197	M	26.4	Very low	25	Very low	202 Å²	202	126.5 Å²	126.5	100%	0.995	83%	0.832	S	S	*	*			trans	-141.5	164.3	171.1	-93.7	-176.1	176.3	0	0	111.2
198	R	24.1	Very low	25	Very low	221 Å²	221	129 Å²	129	83%	0.834	84%	0.837	S	S	*	*			trans	-140.2	-178.5	-164.3	-139.8	-176.5	-167.3	-171.3	4.5	110.7
199	M	24.4	Very low	24.9	Very low	160 Å²	160	126.9 Å²	126.9	79%	0.788	83%	0.834	S	S	*	*			trans	78.5	143.1	177.5	-43.9	-43.6	-170.7	0	0	113.9
200	S	25.2	Very low	25	Very low	123 Å²	123	130.8 Å²	130.8	86%	0.86	84%	0.839	S	S	*	*			cis	-138.9	170.3	-1.3	-105.6	0	0	0	0	111.4
201	S	25.2	Very low	24.9	Very low	124 Å²	124	130.3 Å²	130.3	87%	0.867	84%	0.839	S	S	*	*			trans	-121.9	143.5	-177.5	62.7	0	0	0	0	114.1
202	G	23.5	Very low	25	Very low	83 Å²	83	130.6 Å²	130.6	86%	0.856	84%	0.841	S	S	*	*			trans	157	134.4	165.4	0	0	0	0	0	111.5
203	G	23.2	Very low	25.2	Very low	70 Å²	70	130.8 Å²	130.8	72%	0.722	84%	0.843	S	S	*	*			cis	-178.1	141.3	-10.2	0	0	0	0	0	113.1
204	I	25.3	Very low	25.2	Very low	180 Å²	180	128 Å²	128	92%	0.923	84%	0.836	S	S	*	*			trans	49	117.4	155.3	-49.3	178.4	0	0	0	118.5
205	G	23.8	Very low	25.4	Very low	76 Å²	76	132.1 Å²	132.1	78%	0.784	84%	0.841	S	S	*	*			trans	-166	83.7	165.5	0	0	0	0	0	112.1
206	N	26.6	Very low	25.5	Very low	179 Å²	179	127 Å²	127	96%	0.957	82%	0.822	S	S	*	*			trans	-77.3	131	175.5	-96.4	-2.8	0	0	0	110.7
207	G	22.9	Very low	25.8	Very low	78 Å²	78	128.7 Å²	128.7	80%	0.804	83%	0.829	S	S	*	*			trans	-149.8	94.5	176.4	0	0	0	0	0	111.7
208	S	25.7	Very low	26.1	Very low	128 Å²	128	123.7 Å²	123.7	90%	0.895	81%	0.814	S	S	*	*			trans	-89.5	124.4	174.3	178.9	0	0	0	0	110.6
209	A	23.8	Very low	26.4	Very low	87 Å²	87	116.3 Å²	116.3	72%	0.719	80%	0.8	S	S	*	*			trans	-161.5	123.9	153.2	0	0	0	0	0	111.1
210	Y	25.1	Very low	26.7	Very low	223 Å²	223	115.5 Å²	115.5	88%	0.875	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-76.8	124	148.5	-84.4	-102.9	0	0	0	107.4
211	P	26.4	Very low	27.1	Very low	122 Å²	122	116 Å²	116	79%	0.792	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-73.6	129.4	159.2	30.5	-30.8	0	0	0	108.9
212	S	28.3	Very low	27.4	Very low	124 Å²	124	114.7 Å²	114.7	87%	0.867	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-71.9	149.6	178.8	-64.3	0	0	0	0	112.7
213	G	30.1	Very low	27.8	Very low	81 Å²	81	119 Å²	119	84%	0.835	79%	0.788	S	S	*	*			trans	86.8	55.3	137.5	0	0	0	0	0	119.2
214	A	26.3	Very low	28.4	Very low	96 Å²	96	119.1 Å²	119.1	79%	0.793	79%	0.79	S	S	*	*			trans	-156.2	112.4	145.1	0	0	0	0	0	111.3
215	L	28.8	Very low	29.1	Very low	155 Å²	155	119 Å²	119	81%	0.812	79%	0.786	S	S	*	*			trans	-79.8	122.6	160.1	-74.1	173.9	0	0	0	107.8
216	P	26.2	Very low	29.5	Very low	84 Å²	84	119.2 Å²	119.2	55%	0.545	77%	0.773	S	S	.	*			trans	-64.8	140.1	173.3	27.2	-33.3	0	0	0	109.9	S218 A219	P216-S218 PolarHBondContact O-N 3.15Å; P216-A219 PolarHBondContact O-N 3.3Å
217	A	30.9	Very low	29.9	Very low	107 Å²	107	113.2 Å²	113.2	88%	0.884	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	32.6	-175.5	0	0	0	0	0	114.5
218	S	31.6	Very low	30.9	Very low	96 Å²	96	114.8 Å²	114.8	67%	0.671	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.5	-1.3	175.6	52.4	0	0	0	0	112.9	P216	P216-S218 PolarHBondContact O-N 3.15Å
219	A	30.2	Very low	31.4	Very low	66 Å²	66	111.5 Å²	111.5	55%	0.545	73%	0.726	S	S	.	*	S	Bend	trans	-94.9	7.2	177.8	0	0	0	0	0	114.5	P216	P216-A219 PolarHBondContact O-N 3.3Å
220	I	32.6	Very low	32.2	Very low	143 Å²	143	114 Å²	114	73%	0.733	72%	0.723	S	S	*	*	S	Bend	trans	-115.7	54.7	-175.2	-43.8	-178.6	0	0	0	111.1
221	T	33.3	Very low	33	Very low	134 Å²	134	110.2 Å²	110.2	82%	0.822	71%	0.713	S	S	*	*	S	Bend	trans	-158.8	64.4	175.2	11.5	0	0	0	0	112.3
222	S	31.1	Very low	33.8	Very low	96 Å²	96	107.1 Å²	107.1	67%	0.671	69%	0.694	S	S	*	*	S	Bend	trans	-153.2	-38.5	172.9	60.9	0	0	0	0	115.6	G224	S222-G224 PolarHBondContact O-N 3.1Å; S222-G224 VanDerWaalsContact O-N 3.15Å
223	L	32.7	Very low	34.6	Very low	173 Å²	173	106.5 Å²	106.5	91%	0.906	68%	0.679	S	S	*	*	S	Bend	trans	-89.9	71.7	178.5	-78	164.6	0	0	0	111.6
224	G	35.3	Very low	35.3	Very low	73 Å²	73	105.5 Å²	105.5	75%	0.753	65%	0.654	S	S	*	*			trans	175.4	47.5	-177.5	0	0	0	0	0	115.3	S222	S222-G224 PolarHBondContact O-N 3.1Å; S222-G224 VanDerWaalsContact O-N 3.15Å
225	Q	39.2	Very low	36	Very low	178 Å²	178	105.5 Å²	105.5	83%	0.832	64%	0.644	S	S	*	*			trans	-115.2	143.9	169.8	-72.9	-168	-98.5	0	0	111.9
226	P	32.9	Very low	36.5	Very low	81 Å²	81	103.8 Å²	103.8	53%	0.526	64%	0.635	S	S	.	*			trans	-76.7	171.2	-178.5	-10.4	28.2	0	0	0	112.7	L236	P226-L236 HydrophobicContact CB-CD1 4.1Å; P226-L236 HydrophobicContact CG-CD1 4.12Å
227	C	34.8	Very low	36.9	Very low	53 Å²	53	104.9 Å²	104.9	36%	0.358	65%	0.645	S	S	.	*			trans	-63.1	147.1	164.4	85.4	0	0	0	0	110.2	C229 C232	C227-C229 HydrophobicContact CB-CB 4.06Å; C227-C229 WeakPolarHBondContact CB-SG 3.35Å; C227-C229 PolarHBondContact O-N 3.18Å; C227-C229 VanDerWaalsContact SG-CA 3.53Å; C227-C229 WeakPolarHBondContact SG-CB 3.18Å; C227-C229 PolarHBondContact SG-N 2.93Å; C227-C229 PolarHBondContact SG-O 2.71Å; C227-C229 CovalentContact SG-SG 2.05Å; C227-C229 PolarHBondContact SG-SG 2.64Å; C227-C232 WeakPolarHBondContact SG-CB 3.45Å
228	A	42.6	Very low	37.4	Very low	111 Å²	111	106.7 Å²	106.7	92%	0.917	64%	0.639	S	S	*	*			trans	-83.1	19.7	167	0	0	0	0	0	112.7
229	C	36.6	Very low	37.5	Very low	59 Å²	59	111.9 Å²	111.9	40%	0.399	65%	0.649	S	S	.	*	S	Bend	trans	-91.7	133.9	-176.9	68.5	0	0	0	0	110.8	C227 Q231 C232	C227-C229 HydrophobicContact CB-CB 4.06Å; C227-C229 WeakPolarHBondContact CB-SG 3.35Å; C227-C229 PolarHBondContact O-N 3.18Å; C227-C229 VanDerWaalsContact SG-CA 3.53Å; C227-C229 WeakPolarHBondContact SG-CB 3.18Å; C227-C229 PolarHBondContact SG-N 2.93Å; C227-C229 PolarHBondContact SG-O 2.71Å; C227-C229 CovalentContact SG-SG 2.05Å; C227-C229 PolarHBondContact SG-SG 2.64Å; C229-Q231 PolarHBondContact O-N 3.41Å; C229-C232 PolarHBondContact O-N 2.66Å; C229-C232 VanDerWaalsContact O-N 3.15Å
230	Q	41.3	Very low	37.5	Very low	138 Å²	138	113.8 Å²	113.8	65%	0.645	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	-21	-167.2	-76	-170.3	-12.7	0	0	114.9
231	Q	41.6	Very low	37.2	Very low	144 Å²	144	110.7 Å²	110.7	67%	0.673	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-20	-177.7	-75.4	160.1	-64	0	0	114.7	C229	C229-Q231 PolarHBondContact O-N 3.41Å
232	C	43.8	Very low	36.9	Very low	58 Å²	58	111.1 Å²	111.1	39%	0.392	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.3	-11.2	-178.5	-55.2	0	0	0	0	114.7	C227 C229 L234	C227-C232 WeakPolarHBondContact SG-CB 3.45Å; C229-C232 PolarHBondContact O-N 2.66Å; C229-C232 VanDerWaalsContact O-N 3.15Å; C232-L234 PolarHBondContact O-N 2.64Å
233	M	44.3	Very low	36.8	Very low	111 Å²	111	115.9 Å²	115.9	55%	0.547	69%	0.685	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67	-3.4	176.1	-77.1	-64.2	-64.6	0	0	114.2
234	L	45.2	Very low	36.6	Very low	59 Å²	59	113.4 Å²	113.4	31%	0.309	68%	0.683	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.6	-8.3	-172.8	-50.5	-178.9	0	0	0	113.8	C232 I564 M566	C232-L234 PolarHBondContact O-N 2.64Å; L234-I564 HydrophobicContact CD2-CG2 3.93Å; L234-I564 WeakPolarHBondContact CD2-O 3.47Å; L234-M566 HydrophobicContact CB-CE 4.3Å
235	V	41.8	Very low	36.2	Very low	97 Å²	97	116.1 Å²	116.1	59%	0.588	69%	0.685	S	S	*	*	S	Bend	trans	-107.2	-17.1	-170.4	178.2	0	0	0	0	113.5	M566	V235-M566 HydrophobicContact CG2-CE 3.78Å
236	L	38.5	Very low	35.6	Very low	119 Å²	119	111.4 Å²	111.4	62%	0.623	68%	0.676	S	S	*	*	S	Bend	trans	-110.1	4.7	-164.2	-67.8	173.6	0	0	0	116.1	P226	P226-L236 HydrophobicContact CB-CD1 4.1Å; P226-L236 HydrophobicContact CG-CD1 4.12Å
237	S	35.5	Very low	35.5	Very low	107 Å²	107	116.5 Å²	116.5	75%	0.748	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	2.3	-173.6	-59.3	0	0	0	0	116.3
238	L	41.2	Very low	35.1	Very low	145 Å²	145	119.6 Å²	119.6	76%	0.759	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	4.1	-175.5	-72.8	176.8	0	0	0	115.6
239	K	34.1	Very low	34.2	Very low	204 Å²	204	122.9 Å²	122.9	89%	0.887	71%	0.711	S	S	*	*	S	Bend	trans	-139.8	51.7	-173.7	-153.1	152.5	-174	170.2	0	116.8
240	A	29	Very low	33.6	Very low	107 Å²	107	123.9 Å²	123.9	88%	0.884	73%	0.731	S	S	*	*			trans	-145.3	103.8	160.3	0	0	0	0	0	109.3
241	G	26.1	Very low	32.8	Very low	78 Å²	78	128 Å²	128	80%	0.804	74%	0.741	S	S	*	*			trans	-178.9	3.6	-171.9	0	0	0	0	0	120.3
242	T	27.6	Very low	32	Very low	143 Å²	143	131 Å²	131	88%	0.877	75%	0.746	S	S	*	*			trans	-146	125.9	172	45.6	0	0	0	0	111.7
243	M	29.5	Very low	31.3	Very low	195 Å²	195	133.1 Å²	133.1	96%	0.961	76%	0.759	S	S	*	*			trans	-131.1	132.4	165.3	-80	-71	-177	0	0	107.9
244	S	27	Very low	30.4	Very low	122 Å²	122	134.1 Å²	134.1	85%	0.853	77%	0.774	S	S	*	*			trans	-156.7	159.4	162.3	-162.5	0	0	0	0	109.6
245	T	28	Very low	29.7	Very low	130 Å²	130	140 Å²	140	80%	0.798	80%	0.8	S	S	*	*			trans	-101.8	143.3	-157.4	48.1	0	0	0	0	114.9
246	A	26.5	Very low	28.9	Very low	78 Å²	78	142.1 Å²	142.1	65%	0.645	81%	0.813	S	S	*	*			trans	41.2	126.7	146.7	0	0	0	0	0	120.5
247	H	29.6	Very low	28.2	Very low	188 Å²	188	145.9 Å²	145.9	87%	0.87	82%	0.824	S	S	*	*				-169.7	179.9	99.4	-95.7	-68.4	0	0	0	110.4
248	T	26.7	Very low	27.8	Very low	118 Å²	118	146.3 Å²	146.3	72%	0.724	83%	0.825	S	S	*	*			trans	-123.5	145.2	-149.1	45.2	0	0	0	0	116.7
249	L	24.1	Very low	27.8	Very low	181 Å²	181	144.7 Å²	144.7	95%	0.948	82%	0.823	S	S	*	*			trans	74.7	124.5	156.4	-64.5	160.6	0	0	0	119.2
250	G	23.6	Very low	27.4	Very low	80 Å²	80	140.3 Å²	140.3	83%	0.825	82%	0.818	S	S	*	*			trans	178.1	78.8	175	0	0	0	0	0	116
251	R	25.4	Very low	27.7	Very low	224 Å²	224	140.5 Å²	140.5	85%	0.845	81%	0.81	S	S	*	*			trans	-45.7	165.1	171.8	-81.3	175.2	171.3	179.2	-1.2	115.8
252	R	24.7	Very low	27.7	Very low	206 Å²	206	146 Å²	146	78%	0.777	81%	0.812	S	S	*	*			cis	-163.3	172.5	14.7	-126.3	-179.6	177.7	175.8	-1.8	110.3
253	P	29.2	Very low	27.6	Very low	103 Å²	103	145.9 Å²	145.9	67%	0.669	81%	0.805	S	S	*	*			trans	-96.5	168.8	174.9	38.1	-29.1	0	0	0	113.6
254	P	26.1	Very low	27.3	Very low	132 Å²	132	143.5 Å²	143.5	86%	0.857	80%	0.797	S	S	*	*			trans	-74.9	155.2	173.8	31.5	-35.5	0	0	0	113.4
255	Q	28.6	Very low	27.3	Very low	184 Å²	184	143.2 Å²	143.2	86%	0.86	79%	0.794	S	S	*	*			trans	-122.5	160.9	172.5	-78.3	-165.4	-2.1	0	0	111.4
256	T	26.8	Very low	27.2	Very low	141 Å²	141	147.7 Å²	147.7	87%	0.865	80%	0.798	S	S	*	*			trans	-129.1	102.9	163.6	53.9	0	0	0	0	111.5
257	K	23.5	Very low	28.1	Very low	197 Å²	197	149.2 Å²	149.2	86%	0.857	80%	0.801	S	S	*	*			trans	-153.5	136	154	-110.8	-175.7	-178.4	-175.5	0	109.9
258	P	27.7	Very low	28	Very low	117 Å²	117	147.7 Å²	147.7	76%	0.76	80%	0.798	S	S	*	*			trans	-101.6	-179.2	-176.4	43.2	-38.5	0	0	0	112
259	P	39.5	Very low	28.7	Very low	110 Å²	110	148.2 Å²	148.2	71%	0.714	80%	0.803	S	S	*	*				-138.3	152.5	-60.3	39.3	-24.2	0	0	0	114.7
260	S	25.6	Very low	28.8	Very low	113 Å²	113	143.2 Å²	143.2	79%	0.79	80%	0.796	S	S	*	*			trans	52.3	147.6	140.1	-49.2	0	0	0	0	122
261	P	36.5	Very low	29.1	Very low	111 Å²	111	144.5 Å²	144.5	72%	0.721	79%	0.792	S	S	*	*				-149.7	138.8	85.7	35.9	-17	0	0	0	118.1
262	K	25.4	Very low	29.4	Very low	194 Å²	194	138.8 Å²	138.8	84%	0.843	79%	0.787	S	S	*	*			trans	68.7	156.1	151.9	-60.3	170.5	-175.9	178.8	0	116.6
263	L	25.6	Very low	29.7	Very low	140 Å²	140	139.8 Å²	139.8	73%	0.733	79%	0.792	S	S	*	*			cis	-149.1	161.4	7.3	-157.6	77.5	0	0	0	111
264	N	24.3	Very low	29.7	Very low	145 Å²	145	140 Å²	140	78%	0.775	80%	0.796	S	S	*	*			trans	10.9	154.9	155.4	-64.1	8.5	0	0	0	122.3
265	S	26.4	Very low	30	Very low	115 Å²	115	141 Å²	141	80%	0.804	79%	0.793	S	S	*	*			cis	-156.9	175.7	18.2	43.3	0	0	0	0	115
266	Y	25.5	Very low	30.2	Very low	224 Å²	224	138.6 Å²	138.6	88%	0.878	79%	0.792	S	S	*	*			trans	-90.5	-165.8	178.4	-69.5	-83.3	0	0	0	114.5
267	P	44.5	Very low	30.5	Very low	110 Å²	110	139.6 Å²	139.6	71%	0.714	79%	0.791	S	S	*	*			cis	-136.2	-166.1	-48.6	30.2	-7.4	0	0	0	115.7
268	I	27.6	Very low	31.7	Very low	157 Å²	157	136.1 Å²	136.1	81%	0.805	79%	0.788	S	S	*	*			trans	114.6	138	147	-53.2	-156.6	0	0	0	119
269	P	41.4	Very low	31.7	Very low	128 Å²	128	142 Å²	142	83%	0.831	80%	0.795	S	S	*	*			trans	-132.5	-176.4	-171.7	45.6	-29	0	0	0	117.9
270	G	26.4	Very low	32.7	Very low	77 Å²	77	142.1 Å²	142.1	79%	0.794	80%	0.796	S	S	*	*			trans	156.4	169.1	163.6	0	0	0	0	0	113.5
271	S	29.6	Very low	34.1	Very low	107 Å²	107	142.3 Å²	142.3	75%	0.748	79%	0.794	S	S	*	*			cis	-173.1	151.5	-24.1	-174.8	0	0	0	0	111.6
272	S	32.5	Very low	33.9	Very low	104 Å²	104	142.1 Å²	142.1	73%	0.727	80%	0.796	S	S	*	*			trans	65.5	164.8	165	19.5	0	0	0	0	117.9
273	Y	30.9	Very low	34.3	Very low	227 Å²	227	140.6 Å²	140.6	89%	0.89	80%	0.796	S	S	*	*			cis	-147.3	-166.1	14.2	34.8	-98	0	0	0	112.9
274	S	29.1	Very low	34.5	Very low	106 Å²	106	139.7 Å²	139.7	74%	0.741	80%	0.802	S	S	*	*			trans	-151.4	-173.6	-162.9	-169.2	0	0	0	0	115.8
275	L	33.1	Very low	34.8	Very low	153 Å²	153	138.6 Å²	138.6	80%	0.801	81%	0.805	S	S	*	*			trans	84.5	152.2	169.9	-49	174.5	0	0	0	116.9
276	T	32.3	Very low	35.1	Very low	135 Å²	135	144.4 Å²	144.4	83%	0.828	81%	0.809	S	S	*	*			cis	-161.5	176	-3.2	6.5	0	0	0	0	114.3
277	L	32.8	Very low	35.2	Very low	162 Å²	162	138.5 Å²	138.5	85%	0.848	80%	0.801	S	S	*	*			trans	-90.8	-178.3	172.2	-92.6	159	0	0	0	112.7
278	P	47.8	Very low	34.6	Very low	124 Å²	124	141 Å²	141	81%	0.805	81%	0.807	S	S	*	*			cis	-149.6	-159	28.5	45.5	-21.4	0	0	0	119.8
279	R	27.7	Very low	34.7	Very low	240 Å²	240	139 Å²	139	91%	0.906	81%	0.807	S	S	*	*			trans	-51	160.4	-166.3	-91.1	-179.5	153.4	171	-6.9	123.6
280	P	62.3	Low	35.4	Very low	112 Å²	112	137.8 Å²	137.8	73%	0.727	80%	0.799	S	S	*	*			trans	-106	175.8	165.5	42.9	-36.2	0	0	0	114.9
281	P	53.7	Low	35.7	Very low	117 Å²	117	142.3 Å²	142.3	76%	0.76	80%	0.799	S	S	*	*				-160.3	173.7	119.3	42.1	-23.9	0	0	0	119.9
282	S	31.8	Very low	35.8	Very low	107 Å²	107	147 Å²	147	75%	0.748	80%	0.801	S	S	*	*			trans	79.6	159	145.2	82.6	0	0	0	0	121.6
283	L	33.8	Very low	35.7	Very low	163 Å²	163	147 Å²	147	85%	0.853	80%	0.796	S	S	*	*			cis	-170.3	154.7	-23.2	-110.5	174.2	0	0	0	112.3
284	S	30.4	Very low	35.8	Very low	121 Å²	121	141.9 Å²	141.9	85%	0.846	79%	0.794	S	S	*	*			trans	149.6	152.7	148.5	-74.4	0	0	0	0	112.1
285	S	30.3	Very low	35.8	Very low	121 Å²	121	140.5 Å²	140.5	85%	0.846	80%	0.797	S	S	*	*			cis	-138.6	-167.8	8.1	65	0	0	0	0	113.3
286	R	33.7	Very low	35.9	Very low	238 Å²	238	144.1 Å²	144.1	90%	0.898	81%	0.806	S	S	*	*			trans	-99.7	165.3	-170.1	-67.7	178.1	171.8	172.4	-3.5	112.1
287	S	28.2	Very low	35.7	Very low	100 Å²	100	141.3 Å²	141.3	70%	0.699	80%	0.804	S	S	*	*				-175.8	136.2	69.4	-162	0	0	0	0	116.9
288	L	31.2	Very low	35.8	Very low	162 Å²	162	137.9 Å²	137.9	85%	0.848	80%	0.799	S	S	*	*			trans	45.4	156.8	142.1	-62.7	172.1	0	0	0	124.4
289	S	29.4	Very low	35.2	Very low	114 Å²	114	139 Å²	139	80%	0.797	80%	0.804	S	S	*	*			trans	-117.4	-155	-177.5	-34.5	0	0	0	0	109.9
290	P	56.9	Low	35.2	Very low	103 Å²	103	131 Å²	131	67%	0.669	80%	0.795	S	S	*	*			cis	-145.2	179.2	14.4	44.8	-24.6	0	0	0	119
291	H	31.5	Very low	33.7	Very low	173 Å²	173	128.1 Å²	128.1	80%	0.801	79%	0.787	S	S	*	*			trans	66.3	154.8	146.4	-77.1	-28.4	0	0	0	121.7
292	R	31.5	Very low	32.6	Very low	205 Å²	205	133.1 Å²	133.1	77%	0.774	79%	0.792	S	S	*	*			cis	-168	151.2	-24.5	-157.4	-167.1	-178.2	-167.3	1.3	111.5
293	T	31.1	Very low	32.6	Very low	103 Å²	103	135.2 Å²	135.2	63%	0.632	80%	0.795	S	S	*	*			trans	63.7	106.6	149.7	31.2	0	0	0	0	123.9
294	S	34.1	Very low	32.5	Very low	120 Å²	120	132.3 Å²	132.3	84%	0.839	78%	0.784	S	S	*	*				58.8	137.4	120.1	65.7	0	0	0	0	124.7
295	G	28.6	Very low	32.6	Very low	78 Å²	78	133.3 Å²	133.3	80%	0.804	79%	0.785	S	S	*	*			trans	-157.1	154.4	159.8	0	0	0	0	0	113.1
296	F	33.8	Very low	32.6	Very low	228 Å²	228	130.8 Å²	130.8	100%	1	78%	0.778	S	S	*	*			trans	-105.6	161.3	-179.7	-95.9	-105.4	0	0	0	112
297	G	28	Very low	32.5	Very low	76 Å²	76	129.3 Å²	129.3	78%	0.784	78%	0.784	S	S	*	*			trans	177.5	148.5	167.4	0	0	0	0	0	113.7
298	A	35.2	Very low	32.6	Very low	90 Å²	90	128.1 Å²	128.1	74%	0.744	79%	0.788	S	S	*	*			trans	-161.3	166.8	-176.3	0	0	0	0	0	115.3
299	T	35.1	Very low	32.8	Very low	149 Å²	149	127 Å²	127	91%	0.914	79%	0.787	S	S	*	*			trans	72.4	149	160	60.2	0	0	0	0	121.4
300	G	28.3	Very low	33.7	Very low	70 Å²	70	127.6 Å²	127.6	72%	0.722	79%	0.788	S	S	*	*			trans	95.5	139.3	171.6	0	0	0	0	0	114.9
301	G	30.1	Very low	32.5	Very low	53 Å²	53	126.7 Å²	126.7	55%	0.546	80%	0.797	S	S	.	*			cis	144	140	-9.3	0	0	0	0	0	113.1
302	Y	32.4	Very low	32.4	Very low	222 Å²	222	121.9 Å²	121.9	87%	0.871	80%	0.795	S	S	*	*			trans	53.4	151	158	31.5	-98.6	0	0	0	120.4
303	N	31.5	Very low	32.4	Very low	150 Å²	150	121.7 Å²	121.7	80%	0.802	81%	0.805	S	S	*	*			cis	-171	-175.2	-21.4	-164.7	6.2	0	0	0	109.1
304	V	31.7	Very low	32.2	Very low	103 Å²	103	120.4 Å²	120.4	62%	0.624	81%	0.812	S	S	*	*			trans	84.7	113.6	149.1	165.6	0	0	0	0	121.4
305	T	32.2	Very low	32.2	Very low	141 Å²	141	121.2 Å²	121.2	87%	0.865	81%	0.812	S	S	*	*			trans	58.9	154.9	152	55.3	0	0	0	0	122.2
306	G	29.2	Very low	32.2	Very low	68 Å²	68	125.9 Å²	125.9	70%	0.701	82%	0.817	S	S	*	*			cis	156.4	143.4	-11.9	0	0	0	0	0	116
307	M	32.7	Very low	31.9	Very low	207 Å²	207	118.8 Å²	118.8	100%	1.02	81%	0.808	S	S	*	*			trans	64	150.9	171.1	-75.3	-176.4	160.4	0	0	119.8
308	G	30.1	Very low	32.1	Very low	76 Å²	76	120.2 Å²	120.2	78%	0.784	81%	0.813	S	S	*	*			trans	143.3	84.9	166.5	0	0	0	0	0	117.1
309	V	34.7	Very low	31.7	Very low	139 Å²	139	120.1 Å²	120.1	84%	0.842	82%	0.82	S	S	*	*			trans	-149	125.8	171.9	170.5	0	0	0	0	107.1
310	P	49.6	Very low	31.4	Very low	125 Å²	125	116.7 Å²	116.7	81%	0.812	81%	0.814	S	S	*	*				-159	157.4	95.9	40.2	-20.1	0	0	0	119.5
311	G	30.8	Very low	31.5	Very low	84 Å²	84	121.6 Å²	121.6	87%	0.866	82%	0.822	S	S	*	*			trans	78.1	153.6	154.7	0	0	0	0	0	118.3
312	G	29	Very low	31.4	Very low	73 Å²	73	122.2 Å²	122.2	75%	0.753	83%	0.829	S	S	*	*			cis	172.1	149.1	-10.3	0	0	0	0	0	113.4
313	M	31.3	Very low	31.1	Very low	200 Å²	200	117.8 Å²	117.8	99%	0.985	83%	0.83	S	S	*	*			trans	51.7	110.6	170.9	-62.1	-176	169.8	0	0	118.1
314	G	28.8	Very low	30.9	Very low	76 Å²	76	118 Å²	118	78%	0.784	83%	0.831	S	S	*	*				127.7	-174.8	80.1	0	0	0	0	0	110.5
315	V	32.4	Very low	30.8	Very low	137 Å²	137	118.8 Å²	118.8	83%	0.83	84%	0.837	S	S	*	*			cis	-157.7	164.7	-10.7	-156.2	0	0	0	0	108.5
316	I	30.1	Very low	30.6	Very low	176 Å²	176	121.5 Å²	121.5	90%	0.903	84%	0.837	S	S	*	*			trans	62.1	146.9	165.7	2.4	175.2	0	0	0	121
317	G	27.7	Very low	30.4	Very low	79 Å²	79	121 Å²	121	81%	0.814	83%	0.832	S	S	*	*			trans	151.5	119.8	162.9	0	0	0	0	0	114.2
318	A	30.9	Very low	30.1	Very low	107 Å²	107	121.9 Å²	121.9	88%	0.884	83%	0.83	S	S	*	*			trans	-114.4	158.6	-168.3	0	0	0	0	0	115.3
319	G	26.7	Very low	29.9	Very low	87 Å²	87	121.4 Å²	121.4	90%	0.897	83%	0.826	S	S	*	*			trans	92.8	136.6	143.8	0	0	0	0	0	118.7
320	G	28.8	Very low	29.7	Very low	77 Å²	77	120.4 Å²	120.4	79%	0.794	82%	0.824	S	S	*	*			trans	-168.8	132.3	169.2	0	0	0	0	0	110.8
321	I	30.3	Very low	28.7	Very low	174 Å²	174	118.8 Å²	118.8	89%	0.892	82%	0.816	S	S	*	*			trans	-135	133.6	-169.8	-57.4	173.4	0	0	0	110.5
322	G	28.2	Very low	28.6	Very low	66 Å²	66	123.9 Å²	123.9	68%	0.68	82%	0.815	S	S	*	*			trans	80.6	139.7	146.1	0	0	0	0	0	118.3
323	S	27.6	Very low	28.7	Very low	129 Å²	129	126 Å²	126	90%	0.902	81%	0.814	S	S	*	*			trans	-154.7	135.3	157.5	-75.1	0	0	0	0	107
324	N	27.2	Very low	28.6	Very low	153 Å²	153	124.4 Å²	124.4	82%	0.818	80%	0.803	S	S	*	*			trans	-137.8	144	-174	-157.4	14.8	0	0	0	109.5
325	T	28.3	Very low	28.6	Very low	121 Å²	121	125 Å²	125	74%	0.742	80%	0.796	S	S	*	*			trans	-128.9	125.1	-164.4	-55.9	0	0	0	0	112.6
326	F	27.5	Very low	28.4	Very low	198 Å²	198	126.4 Å²	126.4	87%	0.868	80%	0.798	S	S	*	*			trans	-138.6	145.5	157.2	-74.8	-93.5	0	0	0	107
327	G	26.3	Very low	28.4	Very low	58 Å²	58	123.5 Å²	123.5	60%	0.598	79%	0.793	S	S	*	*			cis	122.4	123.2	0.1	0	0	0	0	0	111.9
328	F	26.3	Very low	28.5	Very low	224 Å²	224	127 Å²	127	98%	0.982	79%	0.792	S	S	*	*			trans	-164.4	157.9	165.4	-105.4	-69	0	0	0	111
329	G	26.5	Very low	28.4	Very low	67 Å²	67	130.3 Å²	130.3	69%	0.691	79%	0.794	S	S	*	*			trans	-176.6	173.4	177.3	0	0	0	0	0	113.5
330	S	29.2	Very low	28.5	Very low	117 Å²	117	129.5 Å²	129.5	82%	0.818	79%	0.785	S	S	*	*			trans	-177.6	160.3	-180	45.8	0	0	0	0	109.7
331	S	29.2	Very low	29.8	Very low	91 Å²	91	132.1 Å²	132.1	64%	0.636	79%	0.788	S	S	*	*			cis	-167.4	177.7	-18.4	-90.5	0	0	0	0	110
332	F	28.4	Very low	29.7	Very low	192 Å²	192	128.8 Å²	128.8	84%	0.842	79%	0.787	S	S	*	*			trans	76.7	127.2	172.4	-50.9	-79.5	0	0	0	116.2
333	T	30.8	Very low	29.6	Very low	118 Å²	118	132.4 Å²	132.4	72%	0.724	80%	0.796	S	S	*	*			cis	98.5	146.7	25.5	65.7	0	0	0	0	114.6
334	H	29.2	Very low	29.8	Very low	165 Å²	165	131.2 Å²	131.2	76%	0.764	79%	0.794	S	S	*	*			cis	-161.4	155.9	11.9	-143.7	-73.2	0	0	0	113.4
335	S	28.2	Very low	29.9	Very low	90 Å²	90	128.4 Å²	128.4	63%	0.629	79%	0.792	S	S	*	*			trans	61.3	141.3	161.2	-61.1	0	0	0	0	120.2
336	L	28.6	Very low	29.9	Very low	166 Å²	166	131 Å²	131	87%	0.869	80%	0.8	S	S	*	*			cis	80.7	140.6	37.2	-60.3	170	0	0	0	114
337	S	29.7	Very low	30.1	Very low	115 Å²	115	127.2 Å²	127.2	80%	0.804	80%	0.799	S	S	*	*			cis	-148	-144.3	17.8	-162.8	0	0	0	0	114.7
338	L	30.6	Very low	30.3	Very low	152 Å²	152	132.1 Å²	132.1	80%	0.796	81%	0.81	S	S	*	*			trans	-122.6	-179.4	-171	-100.4	85.3	0	0	0	115.9
339	L	28.8	Very low	30.6	Very low	176 Å²	176	127 Å²	127	92%	0.921	80%	0.802	S	S	*	*			trans	91.5	145.7	165.9	-51.3	173	0	0	0	116.2
340	G	29.5	Very low	30.9	Very low	70 Å²	70	129.4 Å²	129.4	72%	0.722	81%	0.808	S	S	*	*			cis	-164.1	-175.9	-0.1	0	0	0	0	0	112.5
341	P	55.5	Low	31.5	Very low	132 Å²	132	130.6 Å²	130.6	86%	0.857	81%	0.81	S	S	*	*			trans	-109.1	152.5	-162.7	38.8	-33.3	0	0	0	116.9
342	A	28.1	Very low	31.8	Very low	105 Å²	105	137.3 Å²	137.3	87%	0.868	82%	0.822	S	S	*	*			trans	-161.3	155	155.4	0	0	0	0	0	114.5
343	T	26.9	Very low	32.6	Very low	141 Å²	141	133.3 Å²	133.3	87%	0.865	82%	0.815	S	S	*	*			trans	-59.9	148.8	-179.3	49.6	0	0	0	0	118.1
344	A	30.6	Very low	33.6	Very low	105 Å²	105	133.1 Å²	133.1	87%	0.868	82%	0.816	S	S	*	*			trans	-159.1	148.5	132.8	0	0	0	0	0	110.6
345	A	29.7	Very low	34.8	Very low	93 Å²	93	130.6 Å²	130.6	77%	0.769	81%	0.814	S	S	*	*			trans	-119.7	142.6	176.7	0	0	0	0	0	111
346	L	29	Very low	36.1	Very low	175 Å²	175	131.8 Å²	131.8	92%	0.916	82%	0.82	S	S	*	*			trans	-138.9	114.4	165.4	-76.5	179.3	0	0	0	110.2
347	S	30.3	Very low	37.3	Very low	119 Å²	119	129.8 Å²	129.8	83%	0.832	82%	0.816	S	S	*	*			trans	-80.1	138	169.6	-58.6	0	0	0	0	110.2
348	I	31.6	Very low	38.6	Very low	162 Å²	162	132.1 Å²	132.1	83%	0.831	82%	0.819	S	S	*	*			trans	-128.4	104.1	163.7	-49.8	179.1	0	0	0	108
349	S	31.8	Very low	39.9	Very low	117 Å²	117	130.2 Å²	130.2	82%	0.818	82%	0.816	S	S	*	*			trans	-71.1	135.2	171.8	-59.5	0	0	0	0	110.2
350	S	32.1	Very low	41.5	Very low	117 Å²	117	127.2 Å²	127.2	82%	0.818	81%	0.807	S	S	*	*			trans	-138.7	125.5	163.9	-160.5	0	0	0	0	110.2
351	T	42	Very low	43.1	Very low	141 Å²	141	129.3 Å²	129.3	87%	0.865	81%	0.808	S	S	*	*			trans	-80.3	128.3	-172.2	40.2	0	0	0	0	111.3
352	R	36.9	Very low	43.3	Very low	232 Å²	232	128.6 Å²	128.6	88%	0.875	80%	0.803	S	S	*	*			trans	-140.2	123.8	168.3	-156.9	173.4	-156.9	-114.5	0.9	109.9
353	P	44.1	Very low	44.7	Very low	109 Å²	109	129.1 Å²	129.1	71%	0.708	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-69.4	151.5	177.4	29.3	-34.5	0	0	0	110.8
354	P	52.5	Low	46.4	Very low	113 Å²	113	127.9 Å²	127.9	73%	0.734	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-67.3	153.8	172.8	29.9	-35	0	0	0	111.3
355	P	54.8	Low	47.6	Very low	113 Å²	113	128.6 Å²	128.6	73%	0.734	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-67	155.4	170.9	30.5	-35	0	0	0	111.3
356	P	55.5	Low	48.9	Very low	114 Å²	114	129.7 Å²	129.7	74%	0.74	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-66.5	151.6	178.5	28.9	-35.5	0	0	0	111.9
357	P	52.4	Low	50.1	Low	124 Å²	124	126.4 Å²	126.4	81%	0.805	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-66.3	146	175.8	28.9	-34.8	0	0	0	111.5
358	L	57.3	Low	50.6	Low	164 Å²	164	126.8 Å²	126.8	86%	0.859	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-69.7	149.3	171.5	-70.6	169.9	0	0	0	110.7
359	P	58.8	Low	50.8	Low	112 Å²	112	124.6 Å²	124.6	73%	0.727	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-63.9	147.4	175.4	28	-35	0	0	0	111.1
360	P	61.6	Low	51.2	Low	114 Å²	114	126 Å²	126	74%	0.74	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-65.9	150.5	178.5	28.5	-35	0	0	0	111.5
361	P	63.7	Low	51.3	Low	113 Å²	113	124.6 Å²	124.6	73%	0.734	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-65.3	152.8	175.2	29.1	-35.2	0	0	0	111.3
362	P	60.5	Low	51.1	Low	117 Å²	117	123.6 Å²	123.6	76%	0.76	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-62.4	147.4	175.3	27.6	-34.8	0	0	0	111.1
363	P	57.7	Low	50.8	Low	116 Å²	116	121 Å²	121	75%	0.753	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-65.3	148.9	-179.7	27.9	-35	0	0	0	111.6
364	P	61.1	Low	50.1	Low	116 Å²	116	122 Å²	122	75%	0.753	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-65.7	152.4	176.2	29.1	-35.2	0	0	0	111.4
365	P	57.1	Low	49.2	Very low	119 Å²	119	121.4 Å²	121.4	77%	0.773	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-62.1	145.3	174.1	27.6	-34.7	0	0	0	110.8
366	P	56	Low	47.8	Very low	116 Å²	116	121.3 Å²	121.3	75%	0.753	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-67.5	149.8	-177.1	28.2	-35.2	0	0	0	112
367	P	54.6	Low	46.5	Very low	106 Å²	106	123.4 Å²	123.4	69%	0.688	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-66.5	154.2	172.8	30.3	-35.5	0	0	0	111.2	S369	P367-S369 PolarHBondContact O-N 2.72Å; P367-S369 VanDerWaalsContact O-N 3.1Å
368	P	41.3	Very low	46.2	Very low	128 Å²	128	122.7 Å²	122.7	83%	0.831	79%	0.785	S	S	*	*			trans	-69	107.7	177.1	28.1	-33.9	0	0	0	111	T370	P368-T370 PolarHBondContact O-N 2.76Å
369	S	35.9	Very low	46.4	Very low	115 Å²	115	119.9 Å²	119.9	80%	0.804	78%	0.776	S	S	*	*			trans	-68	110.4	178	-63.4	0	0	0	0	112.3	P367 A371	P367-S369 PolarHBondContact O-N 2.72Å; P367-S369 VanDerWaalsContact O-N 3.1Å; S369-A371 PolarHBondContact O-N 2.77Å
370	T	39.4	Very low	45.8	Very low	148 Å²	148	119.9 Å²	119.9	91%	0.908	78%	0.776	S	S	*	*			trans	-74.2	111.4	163.1	47.4	0	0	0	0	110.1	P368	P368-T370 PolarHBondContact O-N 2.76Å
371	A	34.1	Very low	44.5	Very low	87 Å²	87	122.4 Å²	122.4	72%	0.719	78%	0.778	S	S	*	*			trans	-132	156.2	172.7	0	0	0	0	0	110.3	S369	S369-A371 PolarHBondContact O-N 2.77Å
372	P	37.7	Very low	42.7	Very low	119 Å²	119	124 Å²	124	77%	0.773	79%	0.786	S	S	*	*			trans	-95.3	151.1	-150	-7.7	27.6	0	0	0	116.5
373	M	31.5	Very low	41.1	Very low	179 Å²	179	123.8 Å²	123.8	88%	0.882	79%	0.787	S	S	*	*			trans	35.5	116.5	141.8	-48.5	-172.4	85	0	0	119.9
374	S	28.1	Very low	39.8	Very low	130 Å²	130	122.4 Å²	122.4	91%	0.909	79%	0.786	S	S	*	*				-170.5	161.4	113.4	-82.5	0	0	0	0	111.4
375	A	34.1	Very low	38.3	Very low	100 Å²	100	122.2 Å²	122.2	83%	0.826	79%	0.787	S	S	*	*			trans	-127.7	133.3	-176.7	0	0	0	0	0	112.5
376	S	26.5	Very low	37	Very low	110 Å²	110	121.3 Å²	121.3	77%	0.769	78%	0.784	S	S	*	*			trans	-176.4	149.5	168	46.3	0	0	0	0	109.8
377	I	27.7	Very low	35.7	Very low	159 Å²	159	121.3 Å²	121.3	82%	0.815	78%	0.782	S	S	*	*			cis	-158.1	152.8	-18.4	-116.5	157	0	0	0	108.6
378	P	46.2	Very low	34.4	Very low	108 Å²	108	123.8 Å²	123.8	70%	0.701	79%	0.789	S	S	*	*			trans	-102.1	-158.6	176.7	42.8	-37	0	0	0	111.7
379	P	61.7	Low	33.7	Very low	105 Å²	105	121.7 Å²	121.7	68%	0.682	78%	0.777	S	S	*	*			cis	-102.5	-86.9	-22.7	20	3.3	0	0	0	111.3	Q381	P379-Q381 HydrophobicContact CG-CG 4.17Å
380	P	44.7	Very low	33.2	Very low	112 Å²	112	122.6 Å²	122.6	73%	0.727	78%	0.777	S	S	*	*			cis	-111.9	-169.7	-19.2	41.6	-28.9	0	0	0	113.3
381	Q	34.5	Very low	32.6	Very low	168 Å²	168	119.9 Å²	119.9	79%	0.785	76%	0.764	S	S	*	*				-166.6	122.2	-50.9	-92.2	-164.6	102.5	0	0	109.8	P379	P379-Q381 HydrophobicContact CG-CG 4.17Å
382	T	25.6	Very low	32.1	Very low	145 Å²	145	125.1 Å²	125.1	89%	0.89	77%	0.771	S	S	*	*			trans	-169.8	138.3	155.8	33.8	0	0	0	0	109.3
383	S	28.2	Very low	31.4	Very low	113 Å²	113	124.7 Å²	124.7	79%	0.79	77%	0.771	S	S	*	*	S	Bend	cis	-151.1	158.3	3.2	-73.5	0	0	0	0	108
384	A	28.9	Very low	31	Very low	88 Å²	88	120.5 Å²	120.5	73%	0.727	77%	0.765	S	S	*	*			cis	-156.8	163.8	-8.5	0	0	0	0	0	110.6
385	S	30.9	Very low	31.5	Very low	112 Å²	112	120 Å²	120	78%	0.783	76%	0.759	S	S	*	*			trans	13.4	152.9	153	-33.6	0	0	0	0	122.2
386	S	30.4	Very low	31	Very low	99 Å²	99	119.2 Å²	119.2	69%	0.692	75%	0.752	S	S	*	*			cis	-154.7	148.4	21.3	-49.5	0	0	0	0	114.4
387	T	27.1	Very low	31	Very low	117 Å²	117	122.4 Å²	122.4	72%	0.718	76%	0.755	S	S	*	*			trans	44.6	112	139.5	57.2	0	0	0	0	121.8
388	L	27.7	Very low	30.8	Very low	158 Å²	158	124 Å²	124	83%	0.827	76%	0.758	S	S	*	*				100.1	147.3	96	-73.8	175.2	0	0	0	112.5
389	S	26.6	Very low	29.9	Very low	84 Å²	84	126.1 Å²	126.1	59%	0.587	76%	0.764	S	S	*	*			cis	-173.4	162.3	-19.3	55.1	0	0	0	0	111.8
390	V	26.3	Very low	29	Very low	134 Å²	134	126.6 Å²	126.6	81%	0.812	77%	0.767	S	S	*	*			trans	68.2	154.4	163.3	-173.1	0	0	0	0	116.4
391	S	26.1	Very low	28.1	Very low	90 Å²	90	125.4 Å²	125.4	63%	0.629	77%	0.767	S	S	*	*			cis	-168.8	164.2	-48.3	-82.4	0	0	0	0	109.3
392	F	23.4	Very low	28.8	Very low	198 Å²	198	123.2 Å²	123.2	87%	0.868	77%	0.767	S	S	*	*			trans	66.4	141.1	151.5	-88.3	-68.9	0	0	0	122.4
393	S	23.9	Very low	28.8	Very low	109 Å²	109	120.4 Å²	120.4	76%	0.762	76%	0.759	S	S	*	*			trans	73.7	135.7	143.6	-61.6	0	0	0	0	122.3
394	A	22.3	Very low	28.7	Very low	91 Å²	91	122 Å²	122	75%	0.752	76%	0.758	S	S	*	*			trans	-81.2	-178.3	155.4	0	0	0	0	0	109.4
395	P	39.4	Very low	28.6	Very low	121 Å²	121	124.8 Å²	124.8	79%	0.786	76%	0.759	S	S	*	*			cis	-146.5	-157.9	17.4	43.2	-20.6	0	0	0	116
396	A	23.4	Very low	28.4	Very low	82 Å²	82	124 Å²	124	68%	0.678	75%	0.753	S	S	*	*			trans	86	117.1	149.8	0	0	0	0	0	121.4
397	Q	26.6	Very low	28.2	Very low	178 Å²	178	125.6 Å²	125.6	83%	0.832	76%	0.759	S	S	*	*			trans	29.1	121.6	132	-67.8	178.1	-38	0	0	120.2
398	Q	23.6	Very low	28.2	Very low	192 Å²	192	124.8 Å²	124.8	90%	0.897	76%	0.764	S	S	*	*				-176.5	165.6	99.3	-97.1	175.9	15.1	0	0	113
399	N	27.2	Very low	28.2	Very low	152 Å²	152	122 Å²	122	81%	0.813	76%	0.764	S	S	*	*			trans	-89.6	170.6	167.4	-127.1	0.7	0	0	0	108.4
400	P	41.3	Very low	28.2	Very low	116 Å²	116	123.1 Å²	123.1	75%	0.753	77%	0.772	S	S	*	*			cis	-139.1	-168.2	16.8	42.2	-21.5	0	0	0	116.6
401	A	27	Very low	28.2	Very low	87 Å²	87	123 Å²	123	72%	0.719	77%	0.771	S	S	*	*			trans	-60.9	-174.8	173.1	0	0	0	0	0	115.5
402	P	48.3	Very low	28.1	Very low	122 Å²	122	123.9 Å²	123.9	79%	0.792	78%	0.776	S	S	*	*			cis	-140.4	-162.1	-0.3	39.9	-18.4	0	0	0	115.8
403	A	26.3	Very low	28.2	Very low	86 Å²	86	120.8 Å²	120.8	71%	0.711	77%	0.774	S	S	*	*			trans	83.7	147.6	151.5	0	0	0	0	0	120.1
404	L	25.6	Very low	28.5	Very low	147 Å²	147	121.6 Å²	121.6	77%	0.77	78%	0.776	S	S	*	*			cis	-165.5	153.9	-15.7	-108.3	172.6	0	0	0	110
405	I	27.6	Very low	28.9	Very low	146 Å²	146	122.5 Å²	122.5	75%	0.749	78%	0.777	S	S	*	*			trans	66.1	146	154.4	-65.4	158.8	0	0	0	117.6
406	S	26.7	Very low	28.7	Very low	96 Å²	96	122.2 Å²	122.2	67%	0.671	78%	0.775	S	S	*	*			cis	-168.8	-169.8	-31.9	-75.7	0	0	0	0	105.6
407	T	26.1	Very low	28.8	Very low	132 Å²	132	123.7 Å²	123.7	81%	0.81	78%	0.781	S	S	*	*			cis	-161.3	162.9	6.5	-25.8	0	0	0	0	109.8
408	A	26.3	Very low	28.8	Very low	99 Å²	99	119 Å²	119	82%	0.818	77%	0.773	S	S	*	*			trans	68.6	150	164.4	0	0	0	0	0	117.8
409	A	27.7	Very low	28.9	Very low	100 Å²	100	121.1 Å²	121.1	83%	0.826	77%	0.772	S	S	*	*			cis	-130.8	-167.5	0.5	0	0	0	0	0	112.3
410	S	27.6	Very low	28.8	Very low	108 Å²	108	120.3 Å²	120.3	76%	0.755	77%	0.772	S	S	*	*			trans	-90.4	155.7	-147.5	-54	0	0	0	0	119.4
411	T	24.9	Very low	28	Very low	131 Å²	131	123.1 Å²	123.1	80%	0.804	78%	0.78	S	S	*	*			trans	84.9	128.5	143.3	27.7	0	0	0	0	123.2
412	C	24.9	Very low	28	Very low	108 Å²	108	122.1 Å²	122.1	73%	0.73	78%	0.778	S	S	*	*			trans	83.2	93.3	147.2	-65.3	0	0	0	0	121.9
413	T	26.6	Very low	27.3	Very low	134 Å²	134	122.2 Å²	122.2	82%	0.822	78%	0.779	S	S	*	*			trans	57.9	98.1	132.5	55.5	0	0	0	0	119.7
414	P	29	Very low	27.4	Very low	125 Å²	125	125.2 Å²	125.2	81%	0.812	79%	0.788	S	S	*	*			trans	-99.3	153	173.2	37.7	-33.2	0	0	0	114.5
415	S	31.7	Very low	27.6	Very low	111 Å²	111	123.7 Å²	123.7	78%	0.776	79%	0.79	S	S	*	*			trans	-86.2	156.3	147.7	179.1	0	0	0	0	108.4
416	P	35.2	Very low	27.7	Very low	115 Å²	115	122.6 Å²	122.6	75%	0.747	80%	0.795	S	S	*	*				-154.6	173.2	118.5	40.6	-23.8	0	0	0	117.1
417	S	24.1	Very low	27.9	Very low	113 Å²	113	124.4 Å²	124.4	79%	0.79	81%	0.808	S	S	*	*			trans	-76.7	-167.7	155	-53.7	0	0	0	0	110.2
418	A	26.6	Very low	28	Very low	80 Å²	80	121.7 Å²	121.7	66%	0.661	81%	0.806	S	S	*	*			cis	-165.6	177.5	13.1	0	0	0	0	0	111.7
419	R	26.4	Very low	28.5	Very low	235 Å²	235	122.4 Å²	122.4	89%	0.887	81%	0.812	S	S	*	*			trans	71.1	130.9	161.8	-64.9	175.8	178.6	177.7	-1.3	115.7
420	V	25	Very low	28.5	Very low	135 Å²	135	122 Å²	122	82%	0.818	81%	0.808	S	S	*	*			cis	87.8	115.6	41.8	173.6	0	0	0	0	113
421	L	25.1	Very low	28.9	Very low	175 Å²	175	122.1 Å²	122.1	92%	0.916	82%	0.816	S	S	*	*			trans	-128.7	157.5	159.5	-85.6	173.8	0	0	0	109.4
422	G	26.6	Very low	29.1	Very low	66 Å²	66	122 Å²	122	68%	0.68	82%	0.819	S	S	*	*			trans	-89.1	-177.4	-174	0	0	0	0	0	115.5
423	P	34.4	Very low	29.4	Very low	124 Å²	124	121.6 Å²	121.6	81%	0.805	82%	0.824	S	S	*	*			trans	-89.9	161.6	-169.3	36.3	-36.6	0	0	0	114.4
424	V	27.8	Very low	29.6	Very low	149 Å²	149	119.5 Å²	119.5	90%	0.903	82%	0.82	S	S	*	*			trans	-132.2	138.5	160.7	-171.6	0	0	0	0	107.6
425	S	30.1	Very low	29.7	Very low	116 Å²	116	119.7 Å²	119.7	81%	0.811	82%	0.822	S	S	*	*			trans	-105.8	134.9	-173.5	-56.9	0	0	0	0	112.5
426	S	29.1	Very low	30.1	Very low	122 Å²	122	122 Å²	122	85%	0.853	83%	0.825	S	S	*	*			trans	-148	143.4	159.8	58.2	0	0	0	0	110.7
427	S	31.6	Very low	30.1	Very low	134 Å²	134	120.9 Å²	120.9	94%	0.937	82%	0.817	S	S	*	*			trans	-84.1	141.6	-166.1	-50.3	0	0	0	0	113.6
428	G	27.9	Very low	30.8	Very low	76 Å²	76	119.9 Å²	119.9	78%	0.784	81%	0.808	S	S	*	*			trans	169.2	129.3	168.9	0	0	0	0	0	112.1
429	A	36.4	Very low	31.5	Very low	113 Å²	113	127.8 Å²	127.8	93%	0.934	82%	0.82	S	S	*	*			trans	-96.2	107.1	-174.7	0	0	0	0	0	112.4
430	A	27.2	Very low	32	Very low	91 Å²	91	121.5 Å²	121.5	75%	0.752	81%	0.813	S	S	*	*			trans	-157	141.2	162.6	0	0	0	0	0	110.4
431	A	35.5	Very low	33.1	Very low	111 Å²	111	118.5 Å²	118.5	92%	0.917	80%	0.798	S	S	*	*			trans	-82.6	130.5	174.6	0	0	0	0	0	110.7
432	C	29.4	Very low	34.3	Very low	128 Å²	128	114.7 Å²	114.7	87%	0.865	78%	0.778	S	S	*	*			trans	-145.1	152.7	177.2	49	0	0	0	0	111.6
433	A	33	Very low	35.3	Very low	101 Å²	101	116.2 Å²	116.2	84%	0.835	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-95.7	159.3	-163.7	0	0	0	0	0	114.3
434	A	29.4	Very low	35.9	Very low	90 Å²	90	114 Å²	114	74%	0.744	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-71.6	145.8	173.1	0	0	0	0	0	112.1
435	P	32.1	Very low	36.8	Very low	129 Å²	129	110.5 Å²	110.5	84%	0.838	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-77.2	144.6	-172.9	30.2	-35.5	0	0	0	113.9
436	L	38.7	Very low	38	Very low	160 Å²	160	108.5 Å²	108.5	84%	0.838	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-94.9	147.7	172.7	-69.8	169.8	0	0	0	111.5
437	P	36.5	Very low	38.7	Very low	90 Å²	90	113.4 Å²	113.4	58%	0.584	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-72.8	151.8	175.3	30.9	-35.4	0	0	0	112.4
438	P	39	Very low	39.2	Very low	93 Å²	93	110.8 Å²	110.8	60%	0.604	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-68.2	141.7	-178.2	27.5	-34.6	0	0	0	113.1	S440 S441	P438-S440 PolarHBondContact O-N 3.11Å; P438-S441 PolarHBondContact O-N 3.25Å; P438-S441 PolarHBondContact O-OG 2.98Å
439	R	40.3	Very low	39.8	Very low	245 Å²	245	108 Å²	108	93%	0.925	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-58.1	-21.2	-171.8	-81.1	-179	165.6	158.3	-3.5	115.9	S441	R439-S441 PolarHBondContact O-N 2.93Å
440	S	37.6	Very low	40.2	Very low	104 Å²	104	106.4 Å²	106.4	73%	0.727	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-66.8	-15	179	40.8	0	0	0	0	114.3	P438	P438-S440 PolarHBondContact O-N 3.11Å
441	S	47.8	Very low	41.1	Very low	72 Å²	72	107.9 Å²	107.9	50%	0.503	66%	0.661	S	S	.	*	G	3₁₀ helix	trans	-86.3	-5.2	-171.9	57.6	0	0	0	0	116.4	P438 R439	P438-S441 PolarHBondContact O-N 3.25Å; P438-S441 PolarHBondContact O-OG 2.98Å; R439-S441 PolarHBondContact O-N 2.93Å
442	L	50.1	Low	41.7	Very low	94 Å²	94	111.1 Å²	111.1	49%	0.492	65%	0.65	S	S	.	*	G	3₁₀ helix	trans	-100.9	-11.9	-178.7	-67	175.2	0	0	0	114.3	G444 L445	L442-G444 PolarHBondContact O-N 3.37Å; L442-L445 HydrophobicContact CD2-CD1 4Å
443	A	46.7	Very low	42.6	Very low	98 Å²	98	108.1 Å²	108.1	81%	0.81	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	82.4	-178.1	0	0	0	0	0	111.5
444	G	48.4	Very low	43.2	Very low	77 Å²	77	105.8 Å²	105.8	79%	0.794	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	153.7	-9.4	176.2	0	0	0	0	0	115.5	L442	L442-G444 PolarHBondContact O-N 3.37Å
445	L	46.1	Very low	44	Very low	76 Å²	76	106.5 Å²	106.5	40%	0.398	60%	0.595	S	S	.	*			trans	-76.7	139.1	-177.9	-64.5	175.9	0	0	0	112.6	L442 A449 L450 I453	L442-L445 HydrophobicContact CD2-CD1 4Å; L445-A449 HydrophobicContact CB-CB 4.38Å; L445-L450 HydrophobicContact CB-CD1 4.25Å; L445-L450 HydrophobicContact CB-CG 4.34Å; L445-I453 HydrophobicContact CD1-CD1 3.67Å
446	S	54.3	Low	44.6	Very low	75 Å²	75	103.2 Å²	103.2	52%	0.524	58%	0.578	S	S	.	*			trans	-70.1	153.1	176.6	65.9	0	0	0	0	112.1	P448 A449 L450	S446-P448 VanDerWaalsContact C-CD 3.48Å; S446-P448 VanDerWaalsContact C-N 3.33Å; S446-P448 VanDerWaalsContact O-N 3.16Å; S446-A449 WeakPolarHBondContact O-CA 3.33Å; S446-A449 WeakPolarHBondContact O-CB 3.02Å; S446-A449 PolarHBondContact O-N 2.98Å; S446-L450 PolarHBondContact O-N 3.25Å
447	R	44.1	Very low	44.9	Very low	225 Å²	225	100.8 Å²	100.8	85%	0.849	56%	0.563	S	S	*	*	H	α-helix	trans	-47.2	-44.5	-179.7	-78.9	-179	174.3	174.1	-1.3	113.8	A449 L450 Q451	R447-A449 VanDerWaalsContact C-N 3.33Å; R447-A449 PolarHBondContact O-N 2.97Å; R447-L450 PolarHBondContact O-N 3.43Å; R447-Q451 VanDerWaalsContact O-CB 3.31Å; R447-Q451 WeakPolarHBondContact O-CB 3.35Å; R447-Q451 PolarHBondContact O-N 3.12Å
448	P	42.3	Very low	45.3	Very low	78 Å²	78	97.7 Å²	97.7	51%	0.506	54%	0.543	S	S	.	.	H	α-helix	trans	-72.2	-17.9	178.1	-19	33.8	0	0	0	115.2	S446 R452	S446-P448 VanDerWaalsContact C-CD 3.48Å; S446-P448 VanDerWaalsContact C-N 3.33Å; S446-P448 VanDerWaalsContact O-N 3.16Å; P448-R452 WeakPolarHBondContact O-CG 3.45Å; P448-R452 PolarHBondContact O-NE 2.92Å
449	A	41.2	Very low	45.7	Very low	18 Å²	18	102.4 Å²	102.4	15%	0.149	55%	0.549	C	S	.	.	H	α-helix	trans	-79.6	-50.5	170.7	0	0	0	0	0	110.2	L445 S446 R447 Q451 R452 I453	L445-A449 HydrophobicContact CB-CB 4.38Å; S446-A449 WeakPolarHBondContact O-CA 3.33Å; S446-A449 WeakPolarHBondContact O-CB 3.02Å; S446-A449 PolarHBondContact O-N 2.98Å; R447-A449 VanDerWaalsContact C-N 3.33Å; R447-A449 PolarHBondContact O-N 2.97Å; A449-Q451 VanDerWaalsContact C-N 3.3Å; A449-Q451 PolarHBondContact O-N 2.85Å; A449-R452 PolarHBondContact O-N 2.76Å; A449-R452 VanDerWaalsContact O-N 3.12Å; A449-I453 WeakPolarHBondContact O-CG1 3.39Å; A449-I453 PolarHBondContact O-N 3.35Å
450	L	44.4	Very low	45.8	Very low	79 Å²	79	93.8 Å²	93.8	41%	0.414	53%	0.53	S	S	.	.	H	α-helix	trans	-54.6	-43.4	174.7	-108.2	152.9	0	0	0	112.3	L445 S446 R447 R452 I453 A454	L445-L450 HydrophobicContact CB-CD1 4.25Å; L445-L450 HydrophobicContact CB-CG 4.34Å; S446-L450 PolarHBondContact O-N 3.25Å; R447-L450 PolarHBondContact O-N 3.43Å; L450-R452 PolarHBondContact O-N 3Å; L450-I453 PolarHBondContact O-N 3.49Å; L450-A454 WeakPolarHBondContact O-CB 3.47Å; L450-A454 PolarHBondContact O-N 3.08Å
451	Q	45.7	Very low	46.2	Very low	122 Å²	122	91.5 Å²	91.5	57%	0.57	51%	0.509	S	S	*	.	H	α-helix	trans	-65.7	-36.1	178.1	-172.6	173.3	-3.9	0	0	113.1	R447 A449 M455	R447-Q451 VanDerWaalsContact O-CB 3.31Å; R447-Q451 WeakPolarHBondContact O-CB 3.35Å; R447-Q451 PolarHBondContact O-N 3.12Å; A449-Q451 VanDerWaalsContact C-N 3.3Å; A449-Q451 PolarHBondContact O-N 2.85Å; Q451-M455 WeakPolarHBondContact O-CG 3.19Å; Q451-M455 PolarHBondContact O-N 3.29Å
452	R	47.7	Very low	46.2	Very low	179 Å²	179	92.8 Å²	92.8	68%	0.675	51%	0.509	S	S	*	.	H	α-helix	trans	-70.7	-40.3	174.8	-78.9	-178.8	-69.4	159.2	-1.1	112.1	P448 A449 L450 M455 A456	P448-R452 WeakPolarHBondContact O-CG 3.45Å; P448-R452 PolarHBondContact O-NE 2.92Å; A449-R452 PolarHBondContact O-N 2.76Å; A449-R452 VanDerWaalsContact O-N 3.12Å; L450-R452 PolarHBondContact O-N 3Å; R452-M455 PolarHBondContact O-N 3.45Å; R452-A456 WeakPolarHBondContact O-CB 3.49Å; R452-A456 PolarHBondContact O-N 2.42Å
453	I	48.4	Very low	45.8	Very low	65 Å²	65	92.6 Å²	92.6	33%	0.333	52%	0.522	S	S	.	.	H	α-helix	trans	-62.8	-46.2	175.5	-66.3	164.2	0	0	0	110.2	L445 A449 L450 M455 A456 Q457	L445-I453 HydrophobicContact CD1-CD1 3.67Å; A449-I453 WeakPolarHBondContact O-CG1 3.39Å; A449-I453 PolarHBondContact O-N 3.35Å; L450-I453 PolarHBondContact O-N 3.49Å; I453-M455 VanDerWaalsContact C-N 3.34Å; I453-M455 PolarHBondContact O-N 2.8Å; I453-A456 PolarHBondContact O-N 2.76Å; I453-Q457 PolarHBondContact O-N 3.4Å
454	A	45.4	Very low	45.6	Very low	52 Å²	52	92.3 Å²	92.3	43%	0.43	51%	0.513	S	S	.	.	H	α-helix	trans	-59.7	-41.4	176	0	0	0	0	0	112.6	L450 Q457 S458	L450-A454 WeakPolarHBondContact O-CB 3.47Å; L450-A454 PolarHBondContact O-N 3.08Å; A454-Q457 PolarHBondContact O-N 2.92Å; A454-S458 WeakPolarHBondContact O-CB 3.45Å; A454-S458 PolarHBondContact O-N 3.21Å; A454-S458 PolarHBondContact O-OG 3.15Å
455	M	47.2	Very low	45.2	Very low	106 Å²	106	92 Å²	92	52%	0.522	51%	0.51	S	S	.	.	H	α-helix	trans	-72.3	-27.6	176.4	-75.3	-174	168.9	0	0	114	Q451 R452 I453 S458 R459	Q451-M455 WeakPolarHBondContact O-CG 3.19Å; Q451-M455 PolarHBondContact O-N 3.29Å; R452-M455 PolarHBondContact O-N 3.45Å; I453-M455 VanDerWaalsContact C-N 3.34Å; I453-M455 PolarHBondContact O-N 2.8Å; M455-S458 PolarHBondContact O-OG 2.92Å; M455-R459 WeakPolarHBondContact O-CB 3.43Å; M455-R459 VanDerWaalsContact O-CG 3.28Å; M455-R459 WeakPolarHBondContact O-CG 3.37Å; M455-R459 PolarHBondContact O-N 3.31Å
456	A	43.7	Very low	45	Very low	60 Å²	60	89.4 Å²	89.4	50%	0.496	50%	0.498	S	S	.	.	H	α-helix	trans	-70.4	-46.4	171.2	0	0	0	0	0	110.9	R452 I453 R459 A460	R452-A456 WeakPolarHBondContact O-CB 3.49Å; R452-A456 PolarHBondContact O-N 2.42Å; I453-A456 PolarHBondContact O-N 2.76Å; A456-R459 PolarHBondContact O-N 2.81Å; A456-A460 PolarHBondContact O-N 2.84Å
457	Q	45.4	Very low	44.2	Very low	109 Å²	109	90.5 Å²	90.5	51%	0.509	50%	0.503	S	S	.	.	H	α-helix	trans	-65.1	-40.8	177.1	-72.5	-178.7	-30	0	0	112.4	I453 A454 R459 A460 L461	I453-Q457 PolarHBondContact O-N 3.4Å; A454-Q457 PolarHBondContact O-N 2.92Å; Q457-R459 VanDerWaalsContact C-N 3.32Å; Q457-R459 PolarHBondContact O-N 2.05Å; Q457-A460 PolarHBondContact O-N 2.76Å; Q457-L461 WeakPolarHBondContact O-CG 3.44Å; Q457-L461 PolarHBondContact O-N 2.74Å
458	S	45.1	Very low	44.2	Very low	24 Å²	24	82.8 Å²	82.8	17%	0.168	48%	0.481	C	S	.	.	H	α-helix	trans	-64.8	-36.4	176.3	72.9	0	0	0	0	112.1	A454 M455 I462	A454-S458 WeakPolarHBondContact O-CB 3.45Å; A454-S458 PolarHBondContact O-N 3.21Å; A454-S458 PolarHBondContact O-OG 3.15Å; M455-S458 PolarHBondContact O-OG 2.92Å; S458-I462 WeakPolarHBondContact O-CB 3.27Å; S458-I462 WeakPolarHBondContact O-CD1 3.17Å; S458-I462 WeakPolarHBondContact O-CG1 3.24Å; S458-I462 PolarHBondContact O-N 3.03Å
459	R	48.5	Very low	44	Very low	193 Å²	193	82 Å²	82	73%	0.728	47%	0.474	S	S	*	.	H	α-helix	trans	-65.6	-41.3	173.7	-78.1	173.7	174.6	175.9	-1.8	112.1	M455 A456 Q457 A463	M455-R459 WeakPolarHBondContact O-CB 3.43Å; M455-R459 VanDerWaalsContact O-CG 3.28Å; M455-R459 WeakPolarHBondContact O-CG 3.37Å; M455-R459 PolarHBondContact O-N 3.31Å; A456-R459 PolarHBondContact O-N 2.81Å; Q457-R459 VanDerWaalsContact C-N 3.32Å; Q457-R459 PolarHBondContact O-N 2.05Å; R459-A463 WeakPolarHBondContact O-CB 3.26Å; R459-A463 PolarHBondContact O-N 3.37Å
460	A	41.8	Very low	43.9	Very low	64 Å²	64	86 Å²	86	53%	0.529	50%	0.499	S	S	.	.	H	α-helix	trans	-63.8	-41.9	176	0	0	0	0	0	112.4	A456 Q457 A463 S464	A456-A460 PolarHBondContact O-N 2.84Å; Q457-A460 PolarHBondContact O-N 2.76Å; A460-A463 PolarHBondContact O-N 2.83Å; A460-S464 WeakPolarHBondContact O-CB 3.42Å; A460-S464 PolarHBondContact O-N 2.82Å; A460-S464 VanDerWaalsContact O-N 3.15Å
461	L	45.8	Very low	43.9	Very low	56 Å²	56	84.2 Å²	84.2	29%	0.293	49%	0.491	S	S	.	.	H	α-helix	trans	-70	-38.5	178.9	-71.8	165.2	0	0	0	112.6	Q457 S464 V466 P498 C500	Q457-L461 WeakPolarHBondContact O-CG 3.44Å; Q457-L461 PolarHBondContact O-N 2.74Å; L461-S464 PolarHBondContact O-N 2.81Å; L461-S464 VanDerWaalsContact O-N 3.15Å; L461-V466 HydrophobicContact CB-CG2 4.5Å; L461-V466 HydrophobicContact CD2-CG2 4.11Å; L461-V466 WeakPolarHBondContact O-CB 3.32Å; L461-V466 WeakPolarHBondContact O-CG2 3.41Å; L461-V466 PolarHBondContact O-N 2.86Å; L461-P498 HydrophobicContact CD2-CB 4.13Å; L461-P498 HydrophobicContact CD2-CG 4.49Å; L461-C500 WeakPolarHBondContact CD1-SG 3.39Å
462	I	48.7	Very low	43.6	Very low	98 Å²	98	86.5 Å²	86.5	50%	0.503	50%	0.499	S	S	.	.	H	α-helix	trans	-64.4	-42	173.1	-69.3	165.6	0	0	0	110.9	S458 S464 G465 T468	S458-I462 WeakPolarHBondContact O-CB 3.27Å; S458-I462 WeakPolarHBondContact O-CD1 3.17Å; S458-I462 WeakPolarHBondContact O-CG1 3.24Å; S458-I462 PolarHBondContact O-N 3.03Å; I462-S464 PolarHBondContact O-N 2.98Å; I462-G465 PolarHBondContact O-N 3.42Å; I462-T468 HydrophobicContact CG1-CG2 4.48Å
463	A	41.5	Very low	43.1	Very low	91 Å²	91	84.8 Å²	84.8	75%	0.752	50%	0.503	S	S	*	.	H	α-helix	trans	-65.5	-16.4	174.9	0	0	0	0	0	113.7	R459 A460	R459-A463 WeakPolarHBondContact O-CB 3.26Å; R459-A463 PolarHBondContact O-N 3.37Å; A460-A463 PolarHBondContact O-N 2.83Å
464	S	40.8	Very low	42.7	Very low	91 Å²	91	84.6 Å²	84.6	64%	0.636	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	12	179.2	-166.4	0	0	0	0	113.8	A460 L461 I462 V466	A460-S464 WeakPolarHBondContact O-CB 3.42Å; A460-S464 PolarHBondContact O-N 2.82Å; A460-S464 VanDerWaalsContact O-N 3.15Å; L461-S464 PolarHBondContact O-N 2.81Å; L461-S464 VanDerWaalsContact O-N 3.15Å; I462-S464 PolarHBondContact O-N 2.98Å; S464-V466 PolarHBondContact O-N 2.71Å
465	G	41.1	Very low	42.5	Very low	70 Å²	70	89.6 Å²	89.6	72%	0.722	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	18.6	174.9	0	0	0	0	0	115.6	I462	I462-G465 PolarHBondContact O-N 3.42Å
466	V	41.7	Very low	42.1	Very low	23 Å²	23	87.5 Å²	87.5	14%	0.139	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-76.3	131.4	-174.4	175.6	0	0	0	0	112.1	L461 S464 T468 P498	L461-V466 HydrophobicContact CB-CG2 4.5Å; L461-V466 HydrophobicContact CD2-CG2 4.11Å; L461-V466 WeakPolarHBondContact O-CB 3.32Å; L461-V466 WeakPolarHBondContact O-CG2 3.41Å; L461-V466 PolarHBondContact O-N 2.86Å; S464-V466 PolarHBondContact O-N 2.71Å; V466-T468 PolarHBondContact O-N 3.22Å; V466-P498 HydrophobicContact CG1-CB 4.14Å; V466-P498 HydrophobicContact CG1-CG 3.82Å; V466-P498 WeakPolarHBondContact CG1-O 3.49Å; V466-P498 HydrophobicContact CG2-CG 3.86Å
467	P	37.7	Very low	41.9	Very low	97 Å²	97	91.1 Å²	91.1	63%	0.63	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-63.9	125.8	177.8	-23	34	0	0	0	113.8
468	T	43.2	Very low	41.9	Very low	64 Å²	64	88.7 Å²	88.7	39%	0.393	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-102.8	122.8	175.8	57.1	0	0	0	0	111.7	I462 V466 P470 C500	I462-T468 HydrophobicContact CG1-CG2 4.48Å; V466-T468 PolarHBondContact O-N 3.22Å; T468-P470 WeakPolarHBondContact O-CD 3.29Å; T468-C500 HydrophobicContact CG2-CB 4.2Å
469	V	39.1	Very low	42	Very low	61 Å²	61	92.7 Å²	92.7	37%	0.37	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-86.9	120.8	178.9	-178.1	0	0	0	0	110.7	V471 V499 L501	V469-V471 PolarHBondContact O-N 3.15Å; V469-V499 HydrophobicContact CG2-CG1 4.36Å; V469-L501 HydrophobicContact CB-CD2 4.16Å
470	P	39.8	Very low	41.9	Very low	102 Å²	102	88.2 Å²	88.2	66%	0.662	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-75.4	117	-179.4	-16.2	31.4	0	0	0	113.2	T468 K472	T468-P470 WeakPolarHBondContact O-CD 3.29Å; P470-K472 PolarHBondContact O-N 3.15Å
471	V	44.2	Very low	41.9	Very low	41 Å²	41	91.1 Å²	91.1	25%	0.248	57%	0.566	C	S	.	*			trans	-84.9	103	172.7	-172.8	0	0	0	0	110.1	V469 L474 A485 L501	V469-V471 PolarHBondContact O-N 3.15Å; V471-L474 HydrophobicContact CG1-CD1 4.27Å; V471-L474 HydrophobicContact CG1-CG 4.3Å; V471-A485 HydrophobicContact CG1-CB 4.11Å; V471-A485 HydrophobicContact CG2-CB 4.09Å; V471-L501 HydrophobicContact CG2-CB 4.33Å; V471-L501 HydrophobicContact CG2-CD1 4.33Å; V471-L501 HydrophobicContact CG2-CD2 3.98Å; V471-L501 HydrophobicContact CG2-CG 4.44Å
472	K	38.8	Very low	42.2	Very low	170 Å²	170	91.3 Å²	91.3	74%	0.739	57%	0.571	S	S	*	*			trans	-76.4	125.2	-175.9	-134	170.6	-174	175.6	0	111.6	P470	P470-K472 PolarHBondContact O-N 3.15Å
473	N	36.4	Very low	42.3	Very low	143 Å²	143	89.1 Å²	89.1	77%	0.765	57%	0.567	S	S	*	*			trans	46.7	67.2	161.3	-64.2	-7.7	0	0	0	119.2	N475	N473-N475 VanDerWaalsContact C-N 3.31Å; N473-N475 PolarHBondContact O-N 3.21Å
474	L	40.8	Very low	42.8	Very low	61 Å²	61	89.5 Å²	89.5	32%	0.319	56%	0.556	S	S	.	*			trans	-80.1	76.6	162.2	-65.2	-176.8	0	0	0	112.1	V471 H481 P482	V471-L474 HydrophobicContact CG1-CD1 4.27Å; V471-L474 HydrophobicContact CG1-CG 4.3Å; L474-H481 HydrophobicContact CD2-CB 4.02Å; L474-P482 HydrophobicContact CD1-CB 4.44Å; L474-P482 HydrophobicContact CD1-CG 4.03Å; L474-P482 HydrophobicContact CD2-CG 3.73Å
475	N	41.9	Very low	43.5	Very low	158 Å²	158	86.3 Å²	86.3	85%	0.845	54%	0.535	S	S	*	.			trans	-125.2	1.2	171.4	-101.9	67.5	0	0	0	113.3	N473	N473-N475 VanDerWaalsContact C-N 3.31Å; N473-N475 PolarHBondContact O-N 3.21Å
476	G	37.3	Very low	44.2	Very low	61 Å²	61	84.3 Å²	84.3	63%	0.629	52%	0.515	S	S	*	.	S	Bend	trans	-111.2	143.7	175	0	0	0	0	0	112	S478	G476-S478 VanDerWaalsContact C-N 3.28Å; G476-S478 PolarHBondContact O-N 3.3Å
477	S	41.1	Very low	45	Very low	136 Å²	136	87.5 Å²	87.5	95%	0.951	53%	0.53	S	S	*	.			trans	-80.4	62.4	-176.2	55.1	0	0	0	0	113.2
478	S	44	Very low	46	Very low	59 Å²	59	85.7 Å²	85.7	41%	0.413	52%	0.517	S	S	.	.			trans	-125.6	124.5	174.5	178.5	0	0	0	0	111.2	G476 V480 P482	G476-S478 VanDerWaalsContact C-N 3.28Å; G476-S478 PolarHBondContact O-N 3.3Å; S478-V480 PolarHBondContact O-N 2.78Å; S478-P482 WeakPolarHBondContact O-CD 3.43Å
479	P	48.7	Very low	46.6	Very low	107 Å²	107	83.2 Å²	83.2	70%	0.695	50%	0.504	S	S	*	.	S	Bend	trans	-65.6	-18.5	-179.1	-22.9	34	0	0	0	115	P482 A483	P479-P482 WeakPolarHBondContact O-CD 3.42Å; P479-A483 WeakPolarHBondContact O-CB 3.25Å; P479-A483 PolarHBondContact O-N 2.72Å
480	V	45.1	Very low	47.6	Very low	99 Å²	99	85.9 Å²	85.9	60%	0.6	52%	0.516	S	S	*	.	H	α-helix	trans	-70.9	-41.3	-165.5	-171.6	0	0	0	0	112.8	S478 A483 L484	S478-V480 PolarHBondContact O-N 2.78Å; V480-A483 PolarHBondContact O-N 3.13Å; V480-L484 WeakPolarHBondContact O-CB 3.42Å; V480-L484 PolarHBondContact O-N 2.89Å
481	H	42.7	Very low	48.4	Very low	126 Å²	126	86.5 Å²	86.5	58%	0.583	51%	0.512	S	S	*	.	H	α-helix	trans	-70.1	-43.7	179.9	-85.6	-76.3	0	0	0	114.3	L474 A483 L484 A485	L474-H481 HydrophobicContact CD2-CB 4.02Å; H481-A483 VanDerWaalsContact C-N 3.32Å; H481-A483 PolarHBondContact O-N 3.49Å; H481-L484 PolarHBondContact O-N 3.46Å; H481-A485 WeakPolarHBondContact O-CB 3.5Å; H481-A485 PolarHBondContact O-N 3.41Å
482	P	52.8	Low	49	Very low	60 Å²	60	87.9 Å²	87.9	39%	0.39	52%	0.517	S	S	.	.	H	α-helix	trans	-57.3	-43.6	169.8	-24.5	32	0	0	0	112.7	L474 S478 P479 G486	L474-P482 HydrophobicContact CD1-CB 4.44Å; L474-P482 HydrophobicContact CD1-CG 4.03Å; L474-P482 HydrophobicContact CD2-CG 3.73Å; S478-P482 WeakPolarHBondContact O-CD 3.43Å; P479-P482 WeakPolarHBondContact O-CD 3.42Å; P482-G486 PolarHBondContact O-N 2.95Å
483	A	48.9	Very low	49.8	Very low	52 Å²	52	83 Å²	83	43%	0.43	50%	0.504	S	S	.	.	H	α-helix	trans	-62.6	-48	178.4	0	0	0	0	0	111.6	P479 V480 H481 A485 G486 I487	P479-A483 WeakPolarHBondContact O-CB 3.25Å; P479-A483 PolarHBondContact O-N 2.72Å; V480-A483 PolarHBondContact O-N 3.13Å; H481-A483 VanDerWaalsContact C-N 3.32Å; H481-A483 PolarHBondContact O-N 3.49Å; A483-A485 PolarHBondContact O-N 2.94Å; A483-G486 PolarHBondContact O-N 2.55Å; A483-I487 WeakPolarHBondContact O-CD1 3.47Å; A483-I487 VanDerWaalsContact O-CG1 3.26Å; A483-I487 WeakPolarHBondContact O-CG1 3.46Å; A483-I487 PolarHBondContact O-N 3.34Å
484	L	53.4	Low	50.5	Low	98 Å²	98	80.2 Å²	80.2	51%	0.513	50%	0.501	S	S	.	.	H	α-helix	trans	-61.8	-44.8	179.4	-173.6	63.2	0	0	0	112.2	V480 H481 G486 I487 T488	V480-L484 WeakPolarHBondContact O-CB 3.42Å; V480-L484 PolarHBondContact O-N 2.89Å; H481-L484 PolarHBondContact O-N 3.46Å; L484-G486 VanDerWaalsContact C-N 3.32Å; L484-G486 PolarHBondContact O-N 3.27Å; L484-I487 PolarHBondContact O-N 2.82Å; L484-T488 PolarHBondContact O-N 2.66Å; L484-T488 PolarHBondContact O-OG1 2.96Å; L484-T488 VanDerWaalsContact O-OG1 3.11Å
485	A	54.9	Low	51.2	Low	24 Å²	24	80.8 Å²	80.8	20%	0.198	52%	0.515	C	S	.	.	H	α-helix	trans	-64	-36.4	176	0	0	0	0	0	112.5	V471 H481 A483 G489	V471-A485 HydrophobicContact CG1-CB 4.11Å; V471-A485 HydrophobicContact CG2-CB 4.09Å; H481-A485 WeakPolarHBondContact O-CB 3.5Å; H481-A485 PolarHBondContact O-N 3.41Å; A483-A485 PolarHBondContact O-N 2.94Å; A485-G489 PolarHBondContact O-N 3.36Å
486	G	55.8	Low	51.1	Low	29 Å²	29	76.3 Å²	76.3	30%	0.299	51%	0.506	S	S	.	.	H	α-helix	trans	-64	-45.6	171.8	0	0	0	0	0	112.4	P482 A483 L484 G489 I490	P482-G486 PolarHBondContact O-N 2.95Å; A483-G486 PolarHBondContact O-N 2.55Å; L484-G486 VanDerWaalsContact C-N 3.32Å; L484-G486 PolarHBondContact O-N 3.27Å; G486-G489 PolarHBondContact O-N 2.89Å; G486-I490 WeakPolarHBondContact O-CB 3.28Å; G486-I490 WeakPolarHBondContact O-CD1 3.41Å; G486-I490 VanDerWaalsContact O-CG1 3.25Å; G486-I490 WeakPolarHBondContact O-CG1 3.5Å; G486-I490 PolarHBondContact O-N 3.48Å
487	I	58.6	Low	51.5	Low	89 Å²	89	77.5 Å²	77.5	46%	0.456	50%	0.497	S	S	.	.	H	α-helix	trans	-61.4	-46.3	177.1	-70	161.4	0	0	0	110.7	A483 L484 G489 I490 L491	A483-I487 WeakPolarHBondContact O-CD1 3.47Å; A483-I487 VanDerWaalsContact O-CG1 3.26Å; A483-I487 WeakPolarHBondContact O-CG1 3.46Å; A483-I487 PolarHBondContact O-N 3.34Å; L484-I487 PolarHBondContact O-N 2.82Å; I487-G489 VanDerWaalsContact C-N 3.34Å; I487-G489 PolarHBondContact O-N 3.18Å; I487-I490 PolarHBondContact O-N 3.44Å; I487-L491 HydrophobicContact CG2-CD1 3.74Å; I487-L491 HydrophobicContact CG2-CG 4.3Å; I487-L491 WeakPolarHBondContact O-CB 3.33Å; I487-L491 VanDerWaalsContact O-CG 3.3Å; I487-L491 WeakPolarHBondContact O-CG 3.43Å; I487-L491 PolarHBondContact O-N 3.4Å
488	T	57.7	Low	51.6	Low	59 Å²	59	74.1 Å²	74.1	36%	0.362	47%	0.472	S	S	.	.	H	α-helix	trans	-59.8	-43.3	174.2	-54.2	0	0	0	0	111.6	L484 I490 L491 M492	L484-T488 PolarHBondContact O-N 2.66Å; L484-T488 PolarHBondContact O-OG1 2.96Å; L484-T488 VanDerWaalsContact O-OG1 3.11Å; T488-I490 PolarHBondContact O-N 2.92Å; T488-L491 PolarHBondContact O-N 2.87Å; T488-M492 HydrophobicContact CG2-CG 4.41Å; T488-M492 WeakPolarHBondContact O-CB 3.28Å; T488-M492 WeakPolarHBondContact O-CG 3.42Å; T488-M492 PolarHBondContact O-N 3.26Å
489	G	56.8	Low	51.8	Low	12 Å²	12	73 Å²	73	12%	0.124	46%	0.463	C	S	.	.	H	α-helix	trans	-61.6	-41.5	175.6	0	0	0	0	0	113.3	A485 G486 I487 S493	A485-G489 PolarHBondContact O-N 3.36Å; G486-G489 PolarHBondContact O-N 2.89Å; I487-G489 VanDerWaalsContact C-N 3.34Å; I487-G489 PolarHBondContact O-N 3.18Å; G489-S493 WeakPolarHBondContact O-CB 3.45Å; G489-S493 PolarHBondContact O-N 3.4Å; G489-S493 PolarHBondContact O-OG 2.81Å
490	I	59.1	Low	51.6	Low	118 Å²	118	68.9 Å²	68.9	61%	0.605	44%	0.436	S	S	*	.	H	α-helix	trans	-67.7	-45.4	178.1	-70	162.8	0	0	0	111.1	G486 I487 T488 S493 A494	G486-I490 WeakPolarHBondContact O-CB 3.28Å; G486-I490 WeakPolarHBondContact O-CD1 3.41Å; G486-I490 VanDerWaalsContact O-CG1 3.25Å; G486-I490 WeakPolarHBondContact O-CG1 3.5Å; G486-I490 PolarHBondContact O-N 3.48Å; I487-I490 PolarHBondContact O-N 3.44Å; T488-I490 PolarHBondContact O-N 2.92Å; I490-S493 PolarHBondContact O-N 2.97Å; I490-A494 WeakPolarHBondContact O-CB 3.18Å; I490-A494 PolarHBondContact O-N 3.09Å
491	L	57.9	Low	51.6	Low	114 Å²	114	68.1 Å²	68.1	60%	0.597	43%	0.429	S	S	*	.	H	α-helix	trans	-63.6	-43.1	179	-71.2	170	0	0	0	111.9	I487 T488 A494 A495	I487-L491 HydrophobicContact CG2-CD1 3.74Å; I487-L491 HydrophobicContact CG2-CG 4.3Å; I487-L491 WeakPolarHBondContact O-CB 3.33Å; I487-L491 VanDerWaalsContact O-CG 3.3Å; I487-L491 WeakPolarHBondContact O-CG 3.43Å; I487-L491 PolarHBondContact O-N 3.4Å; T488-L491 PolarHBondContact O-N 2.87Å; L491-A494 PolarHBondContact O-N 2.98Å; L491-A495 PolarHBondContact O-N 3.19Å; L491-A495 VanDerWaalsContact O-N 3.12Å
492	M	55.8	Low	51.6	Low	70 Å²	70	65 Å²	65	35%	0.345	42%	0.418	S	S	.	.	H	α-helix	trans	-65.4	-38.3	174.6	-66.9	-70	-74.9	0	0	111.9	T488 A494 A495 L497 V499	T488-M492 HydrophobicContact CG2-CG 4.41Å; T488-M492 WeakPolarHBondContact O-CB 3.28Å; T488-M492 WeakPolarHBondContact O-CG 3.42Å; T488-M492 PolarHBondContact O-N 3.26Å; M492-A494 VanDerWaalsContact C-N 3.35Å; M492-A495 PolarHBondContact O-N 3.38Å; M492-L497 HydrophobicContact CE-CD1 3.59Å; M492-L497 WeakPolarHBondContact O-CB 3.01Å; M492-L497 PolarHBondContact O-N 2.88Å; M492-L497 VanDerWaalsContact O-N 3.15Å; M492-L497 HydrophobicContact SD-CD1 4.39Å; M492-V499 HydrophobicContact CB-CG2 3.62Å; M492-V499 HydrophobicContact CG-CG2 4.49Å
493	S	55.5	Low	51.1	Low	67 Å²	67	70.3 Å²	70.3	47%	0.469	43%	0.43	S	S	.	.	H	α-helix	trans	-65.7	-36.1	174.2	-57.7	0	0	0	0	112.5	G489 I490 A495 G496 L497	G489-S493 WeakPolarHBondContact O-CB 3.45Å; G489-S493 PolarHBondContact O-N 3.4Å; G489-S493 PolarHBondContact O-OG 2.81Å; I490-S493 PolarHBondContact O-N 2.97Å; S493-A495 VanDerWaalsContact C-N 3.28Å; S493-A495 PolarHBondContact O-N 2.69Å; S493-G496 PolarHBondContact O-N 3.2Å; S493-L497 WeakPolarHBondContact CA-O 3.43Å
494	A	52.6	Low	50.6	Low	85 Å²	85	72 Å²	72	70%	0.702	44%	0.437	S	S	*	.	H	α-helix	trans	-68.3	-27.2	175.6	0	0	0	0	0	112.5	I490 L491 M492 G496	I490-A494 WeakPolarHBondContact O-CB 3.18Å; I490-A494 PolarHBondContact O-N 3.09Å; L491-A494 PolarHBondContact O-N 2.98Å; M492-A494 VanDerWaalsContact C-N 3.35Å; A494-G496 PolarHBondContact O-N 2.85Å
495	A	54.8	Low	49.9	Very low	73 Å²	73	73.1 Å²	73.1	60%	0.603	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	9.5	169.2	0	0	0	0	0	113.7	L491 M492 S493 L497	L491-A495 PolarHBondContact O-N 3.19Å; L491-A495 VanDerWaalsContact O-N 3.12Å; M492-A495 PolarHBondContact O-N 3.38Å; S493-A495 VanDerWaalsContact C-N 3.28Å; S493-A495 PolarHBondContact O-N 2.69Å; A495-L497 VanDerWaalsContact C-N 3.28Å; A495-L497 PolarHBondContact O-N 3.08Å
496	G	39.9	Very low	49.2	Very low	64 Å²	64	81 Å²	81	66%	0.66	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	4.4	178.4	0	0	0	0	0	115.1	S493 A494	S493-G496 PolarHBondContact O-N 3.2Å; A494-G496 PolarHBondContact O-N 2.85Å
497	L	45.1	Very low	48.8	Very low	86 Å²	86	84.8 Å²	84.8	45%	0.45	49%	0.493	S	S	.	.			trans	-88.6	121.2	179.4	-60.6	175.1	0	0	0	110.3	M492 S493 A495	M492-L497 HydrophobicContact CE-CD1 3.59Å; M492-L497 WeakPolarHBondContact O-CB 3.01Å; M492-L497 PolarHBondContact O-N 2.88Å; M492-L497 VanDerWaalsContact O-N 3.15Å; M492-L497 HydrophobicContact SD-CD1 4.39Å; S493-L497 WeakPolarHBondContact CA-O 3.43Å; A495-L497 VanDerWaalsContact C-N 3.28Å; A495-L497 PolarHBondContact O-N 3.08Å
498	P	42.9	Very low	48.6	Very low	65 Å²	65	83.1 Å²	83.1	42%	0.422	49%	0.487	S	S	.	.			trans	-65.1	139.7	170.7	25.7	-30.9	0	0	0	110.1	L461 V466	L461-P498 HydrophobicContact CD2-CB 4.13Å; L461-P498 HydrophobicContact CD2-CG 4.49Å; V466-P498 HydrophobicContact CG1-CB 4.14Å; V466-P498 HydrophobicContact CG1-CG 3.82Å; V466-P498 WeakPolarHBondContact CG1-O 3.49Å; V466-P498 HydrophobicContact CG2-CG 3.86Å
499	V	48.5	Very low	48.5	Very low	35 Å²	35	84.1 Å²	84.1	21%	0.212	49%	0.49	C	S	.	.			trans	-133.1	121.6	179.5	-178.9	0	0	0	0	110.8	V469 M492 L501	V469-V499 HydrophobicContact CG2-CG1 4.36Å; M492-V499 HydrophobicContact CB-CG2 3.62Å; M492-V499 HydrophobicContact CG-CG2 4.49Å; V499-L501 HydrophobicContact CG1-CD2 3.93Å; V499-L501 HydrophobicContact CG1-CG 4.43Å
500	C	45.2	Very low	48.9	Very low	21 Å²	21	90 Å²	90	14%	0.142	51%	0.514	C	S	.	.			trans	-100.4	114.8	169.2	-89.2	0	0	0	0	111.3	L461 T468 T502	L461-C500 WeakPolarHBondContact CD1-SG 3.39Å; T468-C500 HydrophobicContact CG2-CB 4.2Å; C500-T502 PolarHBondContact O-N 2.8Å
501	L	45.4	Very low	49.6	Very low	84 Å²	84	85.2 Å²	85.2	44%	0.44	49%	0.49	S	S	.	.			trans	-87.7	85.4	171.7	-59.2	-177.4	0	0	0	110.4	V469 V471 V499	V469-L501 HydrophobicContact CB-CD2 4.16Å; V471-L501 HydrophobicContact CG2-CB 4.33Å; V471-L501 HydrophobicContact CG2-CD1 4.33Å; V471-L501 HydrophobicContact CG2-CD2 3.98Å; V471-L501 HydrophobicContact CG2-CG 4.44Å; V499-L501 HydrophobicContact CG1-CD2 3.93Å; V499-L501 HydrophobicContact CG1-CG 4.43Å
502	T	43	Very low	50.4	Low	59 Å²	59	82.6 Å²	82.6	36%	0.362	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-97.4	130	175.3	50.5	0	0	0	0	111.8	C500	C500-T502 PolarHBondContact O-N 2.8Å
503	R	40.9	Very low	51.3	Low	172 Å²	172	85.9 Å²	85.9	65%	0.649	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-73.2	131.1	170.6	-175.4	179.2	-70	-161.6	-4.9	109.3
504	P	37.8	Very low	52.3	Low	87 Å²	87	84.2 Å²	84.2	57%	0.565	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-56.7	141.1	175.9	-25.6	34.4	0	0	0	111.9	K506	P504-K506 PolarHBondContact O-N 2.94Å
505	P	39.8	Very low	53.5	Low	123 Å²	123	82.4 Å²	82.4	80%	0.799	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-62.6	128.4	173.8	26.7	-33.1	0	0	0	109.6	L507	P505-L507 PolarHBondContact O-N 3.11Å
506	K	41.2	Very low	54.6	Low	189 Å²	189	88.4 Å²	88.4	82%	0.822	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-66.9	129.2	178.5	-175	178.4	-178.9	-179	0	109	P504 V508	P504-K506 PolarHBondContact O-N 2.94Å; K506-V508 WeakPolarHBondContact O-CG2 3.18Å; K506-V508 PolarHBondContact O-N 3.49Å
507	L	45.6	Very low	56.3	Low	109 Å²	109	90.1 Å²	90.1	57%	0.571	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-66.4	125.5	175.2	-56.9	-175.4	0	0	0	110.1	P505 L741	P505-L507 PolarHBondContact O-N 3.11Å; L507-L741 HydrophobicContact CD1-CD1 3.83Å; L507-L741 HydrophobicContact CD2-CD1 3.69Å; L507-L741 HydrophobicContact CG-CD1 4.38Å
508	V	54.5	Low	58	Low	53 Å²	53	89.6 Å²	89.6	32%	0.321	49%	0.488	S	S	.	.			trans	-114.9	65.3	-178.5	-174.6	0	0	0	0	108.6	K506 H510 F737 G738	K506-V508 WeakPolarHBondContact O-CG2 3.18Å; K506-V508 PolarHBondContact O-N 3.49Å; V508-H510 WeakPolarHBondContact CG1-O 3.11Å; V508-H510 PolarHBondContact O-N 3.31Å; V508-F737 HydrophobicContact CG1-CD1 4.12Å; V508-G738 VanDerWaalsContact O-CA 3.25Å; V508-G738 WeakPolarHBondContact O-CA 3.43Å; V508-G738 PolarHBondContact O-N 2.88Å
509	L	56.9	Low	60	Low	81 Å²	81	89 Å²	89	42%	0.424	48%	0.48	S	S	.	.	S	Bend	trans	-60.4	-34.3	-179	-60.5	175.7	0	0	0	112.1	E736 F737	L509-E736 HydrophobicContact CD2-CG 3.95Å; L509-F737 PolarHBondContact O-N 3.43Å; L509-F737 VanDerWaalsContact O-N 3.09Å
510	H	65.3	Low	61.8	Low	135 Å²	135	93.3 Å²	93.3	63%	0.625	50%	0.496	S	S	*	.	S	Bend	trans	-116.2	149.9	174.9	-56.5	-62.9	0	0	0	110.4	V508	V508-H510 WeakPolarHBondContact CG1-O 3.11Å; V508-H510 PolarHBondContact O-N 3.31Å
511	P	72.2	Confident	63.8	Low	17 Å²	17	97 Å²	97	11%	0.11	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-59.4	154.2	172	26.9	-35.2	0	0	0	111.1	I643 Y688 F737	P511-I643 HydrophobicContact CB-CD1 3.72Å; P511-I643 HydrophobicContact CG-CD1 3.91Å; P511-Y688 VanDerWaalsContact CD-OH 3.26Å; P511-Y688 WeakPolarHBondContact CD-OH 3.47Å; P511-Y688 HydrophobicContact CG-CE1 4.05Å; P511-F737 HydrophobicContact CB-CD1 4.04Å; P511-F737 HydrophobicContact CB-CD2 3.89Å; P511-F737 HydrophobicContact CB-CE1 4.14Å; P511-F737 HydrophobicContact CB-CE2 3.98Å; P511-F737 HydrophobicContact CB-CG 3.94Å; P511-F737 HydrophobicContact CB-CZ 4.13Å; P511-F737 HydrophobicContact CG-CD2 4.32Å; P511-F737 HydrophobicContact CG-CG 4.43Å
512	P	74.8	Confident	65.8	Low	60 Å²	60	93.2 Å²	93.2	39%	0.39	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-52.3	156.5	171	-24.4	32.3	0	0	0	112.8	V514	P512-V514 VanDerWaalsContact O-CG2 3.31Å; P512-V514 WeakPolarHBondContact O-CG2 3.28Å; P512-V514 PolarHBondContact O-N 2.62Å
513	P	75.1	Confident	67.7	Low	138 Å²	138	93.8 Å²	93.8	90%	0.896	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-57.6	121.3	176.8	-24.9	35.2	0	0	0	111.9
514	V	77.1	Confident	69.4	Low	33 Å²	33	89.1 Å²	89.1	20%	0.2	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-103.5	131.2	-177.8	-171.3	0	0	0	0	109.4	P512 D518 I519 I643 P644	P512-V514 VanDerWaalsContact O-CG2 3.31Å; P512-V514 WeakPolarHBondContact O-CG2 3.28Å; P512-V514 PolarHBondContact O-N 2.62Å; V514-D518 HydrophobicContact CG1-CB 3.78Å; V514-I519 HydrophobicContact CG1-CG1 3.9Å; V514-I643 HydrophobicContact CG1-CB 4.47Å; V514-I643 HydrophobicContact CG1-CG2 4.36Å; V514-I643 HydrophobicContact CG2-CB 4.12Å; V514-I643 HydrophobicContact CG2-CG2 4.14Å; V514-P644 VanDerWaalsContact CG1-CD 3.46Å; V514-P644 HydrophobicContact CG1-CG 4.08Å
515	S	78.6	Confident	71.2	Confident	47 Å²	47	86.2 Å²	86.2	33%	0.329	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-72.7	157.2	174.5	84.2	0	0	0	0	111.2	S517 D518	S515-S517 PolarHBondContact O-N 2.87Å; S515-S517 PolarHBondContact OG-N 3.04Å; S515-S517 PolarHBondContact OG-OG 3.23Å; S515-D518 VanDerWaalsContact CB-OD2 3.24Å; S515-D518 WeakPolarHBondContact CB-OD2 3.13Å; S515-D518 PolarHBondContact N-OD2 3.18Å; S515-D518 PolarHBondContact O-N 3.12Å; S515-D518 VanDerWaalsContact O-N 3.15Å; S515-D518 PolarHBondContact OG-N 2.98Å; S515-D518 PolarHBondContact OG-OD2 3.15Å
516	K	76.2	Confident	72.1	Confident	199 Å²	199	86.4 Å²	86.4	87%	0.865	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.9	176.3	-69.9	-176.6	-180	177	0	112.7
517	S	75.8	Confident	73.5	Confident	100 Å²	100	82 Å²	82	70%	0.699	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-24.9	177.1	25.1	0	0	0	0	114.3	S515	S515-S517 PolarHBondContact O-N 2.87Å; S515-S517 PolarHBondContact OG-N 3.04Å; S515-S517 PolarHBondContact OG-OG 3.23Å
518	D	80.7	Confident	74.9	Confident	75 Å²	75	80.3 Å²	80.3	40%	0.401	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-15.7	178.5	-55.8	-53.4	0	0	0	113.1	V514 S515 K520 P644	V514-D518 HydrophobicContact CG1-CB 3.78Å; S515-D518 VanDerWaalsContact CB-OD2 3.24Å; S515-D518 WeakPolarHBondContact CB-OD2 3.13Å; S515-D518 PolarHBondContact N-OD2 3.18Å; S515-D518 PolarHBondContact O-N 3.12Å; S515-D518 VanDerWaalsContact O-N 3.15Å; S515-D518 PolarHBondContact OG-N 2.98Å; S515-D518 PolarHBondContact OG-OD2 3.15Å; D518-K520 PolarHBondContact O-N 2.86Å; D518-P644 HydrophobicContact CB-CB 4.44Å; D518-P644 HydrophobicContact CB-CG 3.81Å
519	I	85.8	Confident	76.2	Confident	52 Å²	52	79.5 Å²	79.5	27%	0.267	47%	0.47	S	S	.	.			trans	-72.9	123.8	176.7	-67.6	173.7	0	0	0	109	V514 H641 V642	V514-I519 HydrophobicContact CG1-CG1 3.9Å; I519-H641 HydrophobicContact CG2-CB 3.67Å; I519-H641 VanDerWaalsContact CG2-CD2 3.43Å; I519-H641 WeakPolarHBondContact CG2-CD2 3.41Å; I519-H641 VanDerWaalsContact CG2-CG 3.5Å; I519-V642 WeakPolarHBondContact CA-O 3.49Å
520	K	86.7	Confident	77.3	Confident	125 Å²	125	78 Å²	78	54%	0.543	46%	0.459	S	S	.	.	B	Isolated β-bridge	trans	-119.3	149.5	179.7	-59.9	-159.5	177.4	-159.7	0	111.6	D518 H641 V642	D518-K520 PolarHBondContact O-N 2.86Å; K520-H641 WeakPolarHBondContact O-CB 3.38Å; K520-V642 HydrophobicContact CB-CB 4.46Å; K520-V642 PolarHBondContact N-O 3.16Å; K520-V642 VanDerWaalsContact N-O 3.08Å; K520-V642 PolarHBondContact O-N 3.34Å
521	P	87.8	Confident	77.9	Confident	98 Å²	98	78.9 Å²	78.9	64%	0.636	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-60.6	155.3	169.5	28.3	-35.5	0	0	0	110.5
522	V	86.1	Confident	78.1	Confident	5 Å²	5	79 Å²	79	3%	0.03	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-75.8	129.6	176.1	-177.7	0	0	0	0	109.3	G524 L525 Y640 V642 I656 R696 L699	V522-G524 PolarHBondContact O-N 2.56Å; V522-L525 HydrophobicContact CB-CD1 4.36Å; V522-L525 HydrophobicContact CG1-CD1 4.25Å; V522-L525 PolarHBondContact O-N 3.3Å; V522-Y640 HydrophobicContact CB-CD2 4.43Å; V522-Y640 HydrophobicContact CG2-CD2 3.87Å; V522-V642 HydrophobicContact CB-CG2 4.41Å; V522-V642 HydrophobicContact CG2-CG2 3.96Å; V522-I656 HydrophobicContact CG1-CD1 4.14Å; V522-I656 HydrophobicContact CG1-CG1 4.44Å; V522-I656 HydrophobicContact CG2-CG1 4.36Å; V522-I656 HydrophobicContact CG2-CG2 4.13Å; V522-R696 HydrophobicContact CG1-CG 3.97Å; V522-L699 HydrophobicContact CB-CD2 4.23Å; V522-L699 HydrophobicContact CG1-CD2 3.87Å; V522-L699 HydrophobicContact CG2-CD2 3.98Å
523	P	83.1	Confident	77.5	Confident	71 Å²	71	81.6 Å²	81.6	46%	0.461	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	130.7	178.2	-27.1	35.1	0	0	0	112.5
524	G	76.1	Confident	76.5	Confident	74 Å²	74	83 Å²	83	76%	0.763	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	9.4	-179.6	0	0	0	0	0	115.7	V522	V522-G524 PolarHBondContact O-N 2.56Å
525	L	76.4	Confident	75.3	Confident	26 Å²	26	90 Å²	90	14%	0.136	50%	0.496	C	S	.	.			trans	-128.1	116.5	174.9	-69.3	170.2	0	0	0	111.1	V522 Y640 L699 R700 L703	V522-L525 HydrophobicContact CB-CD1 4.36Å; V522-L525 HydrophobicContact CG1-CD1 4.25Å; V522-L525 PolarHBondContact O-N 3.3Å; L525-Y640 HydrophobicContact CB-CE2 4.01Å; L525-Y640 HydrophobicContact CD1-CD2 4.41Å; L525-Y640 HydrophobicContact CD1-CE2 3.68Å; L525-Y640 HydrophobicContact CG-CE2 4.45Å; L525-L699 HydrophobicContact CD1-CD2 3.44Å; L525-L699 VanDerWaalsContact CD1-CD2 3.44Å; L525-L699 HydrophobicContact CD1-CG 4.06Å; L525-R700 HydrophobicContact CD2-CG 4.35Å; L525-L703 HydrophobicContact CD1-CD1 3.91Å; L525-L703 HydrophobicContact CD2-CD1 4.16Å
526	S	59.4	Low	73.6	Confident	128 Å²	128	96.1 Å²	96.1	90%	0.895	52%	0.52	S	S	*	.	S	Bend	trans	-77.8	-20.3	-174.3	58.1	0	0	0	0	114.6
527	Q	70.5	Confident	72.2	Confident	95 Å²	95	91.4 Å²	91.4	44%	0.444	52%	0.518	S	S	.	.			trans	-107	145	176.4	-61.9	-177.3	1.6	0	0	109.5	Y640	Q527-Y640 WeakPolarHBondContact O-CE2 3.46Å; Q527-Y640 PolarHBondContact O-OH 3.35Å
528	S	74.8	Confident	70.9	Confident	74 Å²	74	98 Å²	98	52%	0.517	53%	0.527	S	S	.	.	S	Bend	trans	-105.7	1.1	173.6	56.1	0	0	0	0	113.4	E639 Y640	S528-E639 CarbonylContact O-C 3.58Å; S528-E639 VanDerWaalsContact O-CA 3.3Å; S528-E639 WeakPolarHBondContact O-CA 3.25Å; S528-Y640 PolarHBondContact O-N 3.26Å
529	C	80.7	Confident	69.2	Low	36 Å²	36	104.8 Å²	104.8	24%	0.243	55%	0.553	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-151	127.2	-172.9	166.8	0	0	0	0	111.3	K637 M638 E639	C529-K637 WeakPolarHBondContact SG-CE 3.48Å; C529-M638 CarbonylContact C-O 3.59Å; C529-M638 VanDerWaalsContact CA-O 3.27Å; C529-M638 WeakPolarHBondContact CA-O 3.38Å; C529-E639 HydrophobicContact CB-CG 4.46Å
530	R	81.1	Confident	67.7	Low	50 Å²	50	105.4 Å²	105.4	19%	0.189	57%	0.572	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.5	146.1	162.5	-60.9	-68.1	-160.6	-161.3	4.2	109.7	M638 L703 D707	R530-M638 PolarHBondContact N-O 2.67Å; R530-M638 PolarHBondContact O-N 3.06Å; R530-L703 HydrophobicContact CG-CD2 3.63Å; R530-D707 IonicContact NE-OD2 3.11Å
531	K	78.3	Confident	66.7	Low	154 Å²	154	105.7 Å²	105.7	67%	0.67	57%	0.574	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-126.3	127.7	173.9	-66.3	-179.4	-177.5	175.9	0	109.5	G636 K637	K531-G636 WeakPolarHBondContact CA-O 3.35Å; K531-K637 HydrophobicContact CG-CG 4.3Å
532	T	74.7	Confident	66.4	Low	19 Å²	19	104 Å²	104	12%	0.117	56%	0.562	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.2	113.3	168.9	42.9	0	0	0	0	109.3	P635 G636 W706	T532-P635 WeakPolarHBondContact O-CA 3.47Å; T532-P635 WeakPolarHBondContact O-CB 3.44Å; T532-G636 PolarHBondContact N-O 3.39Å; T532-G636 PolarHBondContact O-N 2.98Å; T532-G636 PolarHBondContact OG1-N 3.07Å; T532-G636 PolarHBondContact OG1-O 3.16Å; T532-W706 HydrophobicContact CG2-CZ2 4.25Å
533	T	62.3	Low	66.2	Low	114 Å²	114	105.2 Å²	105.2	70%	0.699	57%	0.569	S	S	*	*			trans	-84.9	163.8	168.4	56.6	0	0	0	0	110.4	K535	T533-K535 PolarHBondContact O-N 2.96Å
534	K	54.7	Low	66.2	Low	167 Å²	167	104.1 Å²	104.1	73%	0.726	56%	0.558	S	S	*	*			trans	-72.2	71.8	176.2	-168.1	176.2	-176.8	173.9	0	110.7	Q536 P635	K534-Q536 PolarHBondContact O-N 3.19Å; K534-Q536 VanDerWaalsContact O-N 3.09Å; K534-P635 HydrophobicContact CB-CG 4.31Å
535	K	51.9	Low	66.7	Low	181 Å²	181	104.7 Å²	104.7	79%	0.787	54%	0.541	S	S	*	.			trans	-63.8	107.6	177.7	-163.1	175.6	-171.3	178.3	0	108.1	T533 A537	T533-K535 PolarHBondContact O-N 2.96Å; K535-A537 PolarHBondContact O-N 3.03Å
536	Q	43.5	Very low	67.2	Low	176 Å²	176	103.7 Å²	103.7	82%	0.822	54%	0.536	S	S	*	.			trans	-55.1	133	178	-68.6	178.4	-10.8	0	0	109.5	K534 R538	K534-Q536 PolarHBondContact O-N 3.19Å; K534-Q536 VanDerWaalsContact O-N 3.09Å; Q536-R538 PolarHBondContact O-N 3.47Å
537	A	45.6	Very low	68.6	Low	100 Å²	100	97.6 Å²	97.6	83%	0.826	49%	0.493	S	S	*	.			trans	-58.3	113.5	170.1	0	0	0	0	0	108	K535 K539	K535-A537 PolarHBondContact O-N 3.03Å; A537-K539 PolarHBondContact O-N 3.4Å
538	R	47.9	Very low	69.5	Low	239 Å²	239	98.9 Å²	98.9	90%	0.902	50%	0.497	S	S	*	.			trans	-59.4	133.9	177.1	-78.6	-172.5	168.4	-164.2	-3.3	108.1	Q536 G540	Q536-R538 PolarHBondContact O-N 3.47Å; R538-G540 WeakPolarHBondContact O-CA 3.4Å; R538-G540 PolarHBondContact O-N 3.06Å
539	K	45.7	Very low	70.2	Confident	217 Å²	217	101.3 Å²	101.3	94%	0.943	50%	0.495	S	S	*	.			trans	-50.9	104.3	-178.6	-168.4	173.8	-177	179.3	0	109.4	A537	A537-K539 PolarHBondContact O-N 3.4Å
540	G	55.2	Low	70.7	Confident	65 Å²	65	101.1 Å²	101.1	67%	0.67	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-76.5	158.1	-162.1	0	0	0	0	0	113.6	R538	R538-G540 WeakPolarHBondContact O-CA 3.4Å; R538-G540 PolarHBondContact O-N 3.06Å
541	K	65.1	Low	71.1	Confident	131 Å²	131	100 Å²	100	57%	0.57	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-57.5	150.2	157.1	-69	-175.2	176.4	-174.2	0	109.2	E545 V546	K541-E545 HydrophobicContact CB-CB 4.12Å; K541-E545 VanDerWaalsContact CB-OE2 3.31Å; K541-E545 WeakPolarHBondContact CB-OE2 3.45Å; K541-E545 WeakPolarHBondContact CG-OE2 3.5Å; K541-V546 HydrophobicContact CB-CG2 4.33Å
542	T	80.4	Confident	71.7	Confident	63 Å²	63	97.7 Å²	97.7	39%	0.387	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-58.4	149.8	-177	57.7	0	0	0	0	111.7	E544 E545 V546	T542-E544 WeakPolarHBondContact CB-OE2 3.41Å; T542-E544 PolarHBondContact O-N 3.37Å; T542-E544 VanDerWaalsContact O-N 3.11Å; T542-E545 WeakPolarHBondContact CB-OE1 3.2Å; T542-E545 WeakPolarHBondContact CG2-OE1 3.3Å; T542-E545 PolarHBondContact N-OE1 3.3Å; T542-E545 WeakPolarHBondContact O-CB 3.4Å; T542-E545 PolarHBondContact O-N 2.87Å; T542-E545 WeakPolarHBondContact OG1-CG 3.31Å; T542-E545 PolarHBondContact OG1-N 3.21Å; T542-E545 PolarHBondContact OG1-OE1 3.03Å; T542-V546 PolarHBondContact O-N 2.75Å
543	P	82.8	Confident	72.4	Confident	29 Å²	29	102.9 Å²	102.9	19%	0.188	50%	0.5	C	S	.	.	H	α-helix	trans	-47	-38.9	172.8	-30.4	37	0	0	0	113	V546 V547 V605 Y608 N609	P543-V546 PolarHBondContact O-N 3.31Å; P543-V547 WeakPolarHBondContact O-CG2 3.24Å; P543-V547 PolarHBondContact O-N 2.99Å; P543-V605 HydrophobicContact CB-CG1 4.47Å; P543-Y608 HydrophobicContact CB-CD1 3.8Å; P543-Y608 HydrophobicContact CB-CE1 4.03Å; P543-Y608 HydrophobicContact CG-CD1 4.46Å; P543-Y608 HydrophobicContact CG-CE1 4.38Å; P543-N609 WeakPolarHBondContact CB-ND2 3.42Å; P543-N609 WeakPolarHBondContact CG-OD1 3.31Å
544	E	83.1	Confident	73.6	Confident	49 Å²	49	98.3 Å²	98.3	23%	0.229	47%	0.472	C	S	.	.	H	α-helix	trans	-68	-41.2	179.8	-60.3	66.3	-142.7	0	0	111.6	T542 K548 V605	T542-E544 WeakPolarHBondContact CB-OE2 3.41Å; T542-E544 PolarHBondContact O-N 3.37Å; T542-E544 VanDerWaalsContact O-N 3.11Å; E544-K548 WeakPolarHBondContact O-CB 3.36Å; E544-K548 WeakPolarHBondContact O-CD 3.46Å; E544-K548 WeakPolarHBondContact O-CG 3.28Å; E544-K548 PolarHBondContact O-N 3.03Å; E544-V605 HydrophobicContact CG-CG1 4.15Å; E544-V605 HydrophobicContact CG-CG2 4.19Å; E544-V605 WeakPolarHBondContact OE1-CG1 3.31Å
545	E	86.8	Confident	74.8	Confident	86 Å²	86	100.2 Å²	100.2	40%	0.402	47%	0.474	S	S	.	.	H	α-helix	trans	-65.4	-37	172.2	-77.8	164.4	-101.9	0	0	113.1	K541 T542 R549	K541-E545 HydrophobicContact CB-CB 4.12Å; K541-E545 VanDerWaalsContact CB-OE2 3.31Å; K541-E545 WeakPolarHBondContact CB-OE2 3.45Å; K541-E545 WeakPolarHBondContact CG-OE2 3.5Å; T542-E545 WeakPolarHBondContact CB-OE1 3.2Å; T542-E545 WeakPolarHBondContact CG2-OE1 3.3Å; T542-E545 PolarHBondContact N-OE1 3.3Å; T542-E545 WeakPolarHBondContact O-CB 3.4Å; T542-E545 PolarHBondContact O-N 2.87Å; T542-E545 WeakPolarHBondContact OG1-CG 3.31Å; T542-E545 PolarHBondContact OG1-N 3.21Å; T542-E545 PolarHBondContact OG1-OE1 3.03Å; E545-R549 PolarHBondContact O-N 2.94Å
546	V	87.4	Confident	76.3	Confident	4 Å²	4	98.4 Å²	98.4	2%	0.024	47%	0.473	C	S	.	.	H	α-helix	trans	-67.9	-50	179.1	176.9	0	0	0	0	109.8	K541 T542 P543 R549 Y550 Y608	K541-V546 HydrophobicContact CB-CG2 4.33Å; T542-V546 PolarHBondContact O-N 2.75Å; P543-V546 PolarHBondContact O-N 3.31Å; V546-R549 WeakPolarHBondContact O-CB 3.3Å; V546-R549 PolarHBondContact O-N 3.23Å; V546-Y550 HydrophobicContact CG1-CE2 4.04Å; V546-Y550 VanDerWaalsContact O-CD2 3.24Å; V546-Y550 WeakPolarHBondContact O-CD2 3.26Å; V546-Y608 HydrophobicContact CB-CE1 4.47Å; V546-Y608 HydrophobicContact CB-CE2 4.25Å; V546-Y608 HydrophobicContact CG1-CD2 4.31Å; V546-Y608 HydrophobicContact CG1-CE2 3.57Å
547	V	88.7	Confident	78.1	Confident	0 Å²	0	91.9 Å²	91.9	0%	0	45%	0.446	C	S	.	.	H	α-helix	trans	-65.5	-44.3	179.2	176.1	0	0	0	0	111.2	P543 R549 Y550 L551 L601 L604 V605 Y608 L617	P543-V547 WeakPolarHBondContact O-CG2 3.24Å; P543-V547 PolarHBondContact O-N 2.99Å; V547-R549 PolarHBondContact O-N 2.87Å; V547-Y550 PolarHBondContact O-N 3.3Å; V547-Y550 VanDerWaalsContact O-N 3.15Å; V547-L551 HydrophobicContact CG1-CD1 4.01Å; V547-L551 HydrophobicContact CG1-CD2 4.13Å; V547-L551 WeakPolarHBondContact O-CD1 3.29Å; V547-L551 PolarHBondContact O-N 2.89Å; V547-L601 HydrophobicContact CB-CD1 4.32Å; V547-L601 HydrophobicContact CG1-CD1 3.64Å; V547-L604 HydrophobicContact CG1-CB 3.63Å; V547-L604 HydrophobicContact CG1-CD1 4.3Å; V547-V605 HydrophobicContact CB-CG2 3.98Å; V547-V605 HydrophobicContact CG1-CG2 4.2Å; V547-V605 HydrophobicContact CG2-CG2 4.08Å; V547-Y608 HydrophobicContact CG2-CG 4.2Å; V547-L617 HydrophobicContact CG1-CD2 4.23Å; V547-L617 HydrophobicContact CG2-CD1 4.32Å; V547-L617 HydrophobicContact CG2-CD2 4.36Å
548	K	88.5	Confident	79.9	Confident	123 Å²	123	88.9 Å²	88.9	54%	0.535	42%	0.418	S	S	.	.	H	α-helix	trans	-59.3	-29.2	177.3	-77.2	172	-177.3	176.9	0	113.6	E544 Y550 L551 L601	E544-K548 WeakPolarHBondContact O-CB 3.36Å; E544-K548 WeakPolarHBondContact O-CD 3.46Å; E544-K548 WeakPolarHBondContact O-CG 3.28Å; E544-K548 PolarHBondContact O-N 3.03Å; K548-Y550 PolarHBondContact O-N 3.42Å; K548-L551 PolarHBondContact O-N 2.99Å; K548-L601 HydrophobicContact CG-CD1 4.05Å; K548-L601 HydrophobicContact CG-CD2 4.25Å
549	R	90.3	Very high	81.5	Confident	124 Å²	124	87 Å²	87	47%	0.468	42%	0.42	S	S	.	.	H	α-helix	trans	-61.8	-31.5	178	-167.3	-171.7	-51.2	141.7	13	113.1	E545 V546 V547	E545-R549 PolarHBondContact O-N 2.94Å; V546-R549 WeakPolarHBondContact O-CB 3.3Å; V546-R549 PolarHBondContact O-N 3.23Å; V547-R549 PolarHBondContact O-N 2.87Å
550	Y	90.4	Very high	83.5	Confident	32 Å²	32	81.8 Å²	81.8	13%	0.125	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	0.5	-174.8	-53.6	-53.9	0	0	0	112.9	V546 V547 K548 A593 G615 L617 Y626	V546-Y550 HydrophobicContact CG1-CE2 4.04Å; V546-Y550 VanDerWaalsContact O-CD2 3.24Å; V546-Y550 WeakPolarHBondContact O-CD2 3.26Å; V547-Y550 PolarHBondContact O-N 3.3Å; V547-Y550 VanDerWaalsContact O-N 3.15Å; K548-Y550 PolarHBondContact O-N 3.42Å; Y550-A593 PolarHBondContact O-N 2.88Å; Y550-A593 VanDerWaalsContact O-N 3.12Å; Y550-G615 PolarHBondContact OH-O 2.95Å; Y550-L617 HydrophobicContact CD2-CB 3.9Å; Y550-L617 HydrophobicContact CD2-CD2 4.33Å; Y550-L617 HydrophobicContact CE2-CB 4.36Å; Y550-Y626 HydrophobicContact CD1-CD1 4.03Å; Y550-Y626 HydrophobicContact CD1-CG 4.33Å; Y550-Y626 HydrophobicContact CG-CD1 4.09Å; Y550-Y626 HydrophobicContact CG-CG 4.13Å
551	L	90.6	Very high	85.2	Confident	27 Å²	27	83.7 Å²	83.7	14%	0.141	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.2	-174.7	-103.4	67.2	0	0	0	111.9	V547 K548 R591 L592 L601 L604 L617	V547-L551 HydrophobicContact CG1-CD1 4.01Å; V547-L551 HydrophobicContact CG1-CD2 4.13Å; V547-L551 WeakPolarHBondContact O-CD1 3.29Å; V547-L551 PolarHBondContact O-N 2.89Å; K548-L551 PolarHBondContact O-N 2.99Å; L551-R591 WeakPolarHBondContact CA-O 3.19Å; L551-L592 HydrophobicContact CD1-CD2 3.54Å; L551-L592 HydrophobicContact CD1-CG 4.33Å; L551-L601 HydrophobicContact CD2-CB 4.31Å; L551-L601 HydrophobicContact CD2-CD1 3.81Å; L551-L604 HydrophobicContact CD1-CD1 3.59Å; L551-L604 HydrophobicContact CD2-CD1 3.96Å; L551-L604 HydrophobicContact CG-CD1 4.3Å; L551-L617 HydrophobicContact CD1-CD2 4.38Å
552	Q	90.8	Very high	86.3	Confident	106 Å²	106	77.4 Å²	77.4	50%	0.495	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	127.8	163.3	-65.3	171.7	-6.3	0	0	108.7	V554 G590 R591 A593	Q552-V554 PolarHBondContact O-N 3.37Å; Q552-G590 CarbonylContact O-C 3.54Å; Q552-G590 VanDerWaalsContact O-CA 3.25Å; Q552-G590 WeakPolarHBondContact O-CA 3.37Å; Q552-R591 HydrophobicContact CB-CB 4.39Å; Q552-R591 PolarHBondContact N-O 3.42Å; Q552-R591 PolarHBondContact O-N 3.33Å; Q552-A593 HydrophobicContact CG-CB 4.21Å
553	K	88.4	Confident	86.9	Confident	127 Å²	127	77.9 Å²	77.9	55%	0.552	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	126.3	179.9	-170.2	-171.7	-169.1	-169.8	0	110.6	E587	K553-E587 VanDerWaalsContact CE-CD 3.41Å; K553-E587 WeakPolarHBondContact CE-OE1 3.18Å; K553-E587 WeakPolarHBondContact CE-OE2 3.29Å; K553-E587 IonicContact NZ-OE1 3.87Å; K553-E587 PolarHBondContact NZ-OE1 3.02Å; K553-E587 IonicContact NZ-OE2 2.67Å; K553-E587 PolarHBondContact NZ-OE2 3.43Å
554	V	87.2	Confident	87.2	Confident	19 Å²	19	77.2 Å²	77.2	12%	0.115	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-96.5	125.8	175.5	-176.8	0	0	0	0	108.6	Q552 N556 P557 V589 R591	Q552-V554 PolarHBondContact O-N 3.37Å; V554-N556 WeakPolarHBondContact CG1-O 3.42Å; V554-P557 HydrophobicContact CG1-CB 4.4Å; V554-V589 HydrophobicContact CB-CB 4.36Å; V554-V589 HydrophobicContact CB-CG1 4Å; V554-V589 HydrophobicContact CG2-CG1 4.12Å; V554-V589 PolarHBondContact N-O 3.26Å; V554-V589 VanDerWaalsContact N-O 3.11Å; V554-R591 HydrophobicContact CG2-CB 3.74Å
555	R	80.8	Confident	87.4	Confident	207 Å²	207	75.9 Å²	75.9	78%	0.781	36%	0.359	S	S	*	.	S	Bend	trans	-83.3	-48.4	176.8	-72	-178	176.5	167.3	-0.7	112	P557	R555-P557 WeakPolarHBondContact O-CD 3.18Å
556	N	82.6	Confident	87.5	Confident	142 Å²	142	76.9 Å²	76.9	76%	0.759	37%	0.366	S	S	*	.	S	Bend	trans	-114.1	93.8	179	-59.8	16.8	0	0	0	107	V554	V554-N556 WeakPolarHBondContact CG1-O 3.42Å
557	P	82	Confident	87.5	Confident	39 Å²	39	80.2 Å²	80.2	25%	0.253	38%	0.381	S	S	.	.			trans	-66.6	150.6	173.8	28.4	-33.5	0	0	0	110.5	V554 R555 L569 A570 V589	V554-P557 HydrophobicContact CG1-CB 4.4Å; R555-P557 WeakPolarHBondContact O-CD 3.18Å; P557-L569 HydrophobicContact CB-CB 3.84Å; P557-L569 WeakPolarHBondContact CG-O 3.39Å; P557-A570 HydrophobicContact CG-CB 4.31Å; P557-V589 HydrophobicContact CB-CB 4.46Å; P557-V589 HydrophobicContact CB-CG1 4.42Å; P557-V589 HydrophobicContact CB-CG2 4.25Å
558	P	83.2	Confident	87.5	Confident	38 Å²	38	82.3 Å²	82.3	25%	0.247	40%	0.398	C	S	.	.			trans	-71.2	167.2	171.1	34.1	-37.5	0	0	0	111.1	E560 L569	P558-E560 HydrophobicContact CB-CG 4.03Å; P558-E560 HydrophobicContact CG-CB 4.02Å; P558-E560 HydrophobicContact CG-CG 3.86Å; P558-E560 WeakPolarHBondContact CG-OE2 3.33Å; P558-E560 PolarHBondContact O-N 3.27Å; P558-L569 HydrophobicContact CG-CD1 4.38Å
559	E	81.7	Confident	87.4	Confident	199 Å²	199	76.6 Å²	76.6	93%	0.93	37%	0.373	S	S	*	.	S	Bend	trans	-76.5	51.1	170.2	-61.3	-177.4	171.6	0	0	111.2
560	E	87.6	Confident	87.2	Confident	108 Å²	108	74.4 Å²	74.4	51%	0.505	38%	0.381	S	S	.	.			trans	-111.7	149.9	175	-66	168.8	-178	0	0	110.1	P558 L569	P558-E560 HydrophobicContact CB-CG 4.03Å; P558-E560 HydrophobicContact CG-CB 4.02Å; P558-E560 HydrophobicContact CG-CG 3.86Å; P558-E560 WeakPolarHBondContact CG-OE2 3.33Å; P558-E560 PolarHBondContact O-N 3.27Å; E560-L569 HydrophobicContact CB-CD1 4.16Å; E560-L569 WeakPolarHBondContact O-CB 3.22Å; E560-L569 VanDerWaalsContact O-CG 3.29Å; E560-L569 WeakPolarHBondContact O-CG 3.46Å; E560-L569 PolarHBondContact O-N 3.35Å
561	D	90.4	Very high	86.7	Confident	104 Å²	104	74 Å²	74	56%	0.556	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	138.1	175.8	-70.8	-46	0	0	0	112.9	T563 A568	D561-T563 PolarHBondContact O-N 3.13Å; D561-A568 VanDerWaalsContact OD1-CA 3.28Å; D561-A568 WeakPolarHBondContact OD1-CA 3.26Å; D561-A568 PolarHBondContact OD1-N 2.7Å; D561-A568 VanDerWaalsContact OD1-N 3.12Å
562	C	89.3	Confident	86.3	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	104.8	171.2	-178.6	0	0	0	0	109.4	I564 C565 M566 E567 L569 H600	C562-I564 PolarHBondContact O-N 2.85Å; C562-C565 PolarHBondContact O-N 3.02Å; C562-C565 VanDerWaalsContact O-N 3.12Å; C562-M566 PolarHBondContact O-N 2.58Å; C562-E567 WeakPolarHBondContact CB-O 3.42Å; C562-E567 PolarHBondContact N-O 2.85Å; C562-L569 HydrophobicContact CB-CD2 3.62Å; C562-L569 HydrophobicContact CB-CG 4.2Å; C562-H600 VanDerWaalsContact CB-ND1 3.35Å; C562-H600 WeakPolarHBondContact CB-ND1 3.21Å; C562-H600 PolarHBondContact SG-N 2.79Å; C562-H600 PolarHBondContact SG-ND1 2.92Å
563	T	92.4	Very high	86	Confident	72 Å²	72	71.4 Å²	71.4	44%	0.442	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	12.2	-176.3	87.6	0	0	0	0	115.6	D561 T621	D561-T563 PolarHBondContact O-N 3.13Å; T563-T621 PolarHBondContact OG1-OG1 3.03Å
564	I	88.8	Confident	85.7	Confident	16 Å²	16	66.7 Å²	66.7	8%	0.082	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-52.9	171.2	-52.7	171.7	0	0	0	110.3	L234 C562 Y599 C603 L604 P620	L234-I564 HydrophobicContact CD2-CG2 3.93Å; L234-I564 WeakPolarHBondContact CD2-O 3.47Å; C562-I564 PolarHBondContact O-N 2.85Å; I564-Y599 HydrophobicContact CD1-CD1 3.61Å; I564-Y599 HydrophobicContact CD1-CE1 4.28Å; I564-Y599 HydrophobicContact CD1-CG 3.92Å; I564-Y599 HydrophobicContact CG1-CD1 3.75Å; I564-Y599 HydrophobicContact CG1-CE1 4.17Å; I564-C603 HydrophobicContact CB-CB 3.8Å; I564-C603 HydrophobicContact CD1-CB 3.76Å; I564-C603 HydrophobicContact CG1-CB 4.37Å; I564-C603 HydrophobicContact CG2-CB 3.76Å; I564-L604 HydrophobicContact CD1-CD2 3.68Å; I564-L604 HydrophobicContact CD1-CG 4.02Å; I564-P620 HydrophobicContact CD1-CG 4.06Å; I564-P620 HydrophobicContact CG1-CG 4Å
565	C	87.8	Confident	85.3	Confident	20 Å²	20	69.2 Å²	69.2	14%	0.135	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-8.2	-179.3	60.1	0	0	0	0	114.8	C562 E567 H600 C603	C562-C565 PolarHBondContact O-N 3.02Å; C562-C565 VanDerWaalsContact O-N 3.12Å; C565-E567 VanDerWaalsContact C-N 3.28Å; C565-E567 HydrophobicContact CB-CG 4.24Å; C565-E567 PolarHBondContact O-N 2.79Å; C565-H600 PolarHBondContact SG-ND1 3.37Å; C565-H600 VanDerWaalsContact SG-ND1 3.35Å; C565-C603 VanDerWaalsContact SG-SG 3.62Å
566	M	89.3	Confident	84.8	Confident	108 Å²	108	69.2 Å²	69.2	53%	0.532	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	39.3	-175.3	-51.3	-172.6	179.2	0	0	112.8	L234 V235 C562	L234-M566 HydrophobicContact CB-CE 4.3Å; V235-M566 HydrophobicContact CG2-CE 3.78Å; C562-M566 PolarHBondContact O-N 2.58Å
567	E	87.4	Confident	83.9	Confident	74 Å²	74	63.4 Å²	63.4	35%	0.346	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.5	175.3	-55.6	-85.4	-171	0	0	108.2	C562 C565	C562-E567 WeakPolarHBondContact CB-O 3.42Å; C562-E567 PolarHBondContact N-O 2.85Å; C565-E567 VanDerWaalsContact C-N 3.28Å; C565-E567 HydrophobicContact CB-CG 4.24Å; C565-E567 PolarHBondContact O-N 2.79Å
568	A	88.5	Confident	82.7	Confident	43 Å²	43	67.7 Å²	67.7	36%	0.355	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	138	-180	0	0	0	0	0	112.4	D561 A570 G571	D561-A568 VanDerWaalsContact OD1-CA 3.28Å; D561-A568 WeakPolarHBondContact OD1-CA 3.26Å; D561-A568 PolarHBondContact OD1-N 2.7Å; D561-A568 VanDerWaalsContact OD1-N 3.12Å; A568-A570 PolarHBondContact O-N 3.39Å; A568-G571 WeakPolarHBondContact O-CA 3.15Å; A568-G571 PolarHBondContact O-N 3.2Å
569	L	86.9	Confident	81.4	Confident	4 Å²	4	69.3 Å²	69.3	2%	0.021	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.9	-180	-72.8	169.7	0	0	0	113.7	P557 P558 E560 C562 V589 Q598	P557-L569 HydrophobicContact CB-CB 3.84Å; P557-L569 WeakPolarHBondContact CG-O 3.39Å; P558-L569 HydrophobicContact CG-CD1 4.38Å; E560-L569 HydrophobicContact CB-CD1 4.16Å; E560-L569 WeakPolarHBondContact O-CB 3.22Å; E560-L569 VanDerWaalsContact O-CG 3.29Å; E560-L569 WeakPolarHBondContact O-CG 3.46Å; E560-L569 PolarHBondContact O-N 3.35Å; C562-L569 HydrophobicContact CB-CD2 3.62Å; C562-L569 HydrophobicContact CB-CG 4.2Å; L569-V589 HydrophobicContact CB-CG2 4.1Å; L569-V589 HydrophobicContact CD2-CG1 4.02Å; L569-V589 HydrophobicContact CD2-CG2 3.84Å; L569-V589 WeakPolarHBondContact O-CG2 3.26Å; L569-Q598 HydrophobicContact CD1-CB 3.78Å
570	A	85	Confident	80.2	Confident	77 Å²	77	60.6 Å²	60.6	64%	0.636	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-11.7	169.9	0	0	0	0	0	113.4	P557 A568	P557-A570 HydrophobicContact CG-CB 4.31Å; A568-A570 PolarHBondContact O-N 3.39Å
571	G	80.9	Confident	78.4	Confident	25 Å²	25	59.7 Å²	59.7	26%	0.258	39%	0.388	S	S	.	.	S	Bend	trans	-96	-174.4	-178.6	0	0	0	0	0	114.5	A568 H600	A568-G571 WeakPolarHBondContact O-CA 3.15Å; A568-G571 PolarHBondContact O-N 3.2Å; G571-H600 PolarHBondContact O-NE2 3.46Å
572	P	82.3	Confident	76.7	Confident	63 Å²	63	58.4 Å²	58.4	41%	0.409	40%	0.399	S	S	.	.			trans	-80.4	148.1	166.4	34.2	-32.7	0	0	0	110.8	G574 R585	P572-G574 PolarHBondContact O-N 2.86Å; P572-R585 HydrophobicContact CB-CG 4.32Å
573	S	84.6	Confident	75.2	Confident	14 Å²	14	61.6 Å²	61.6	10%	0.098	42%	0.416	C	S	.	.			trans	-65.2	137	172.7	114.2	0	0	0	0	111.7	Y575 H600 Q602	S573-Y575 PolarHBondContact O-N 3.47Å; S573-Y575 PolarHBondContact OG-N 2.91Å; S573-H600 VanDerWaalsContact CB-CG 3.46Å; S573-Q602 VanDerWaalsContact OG-CG 3.3Å; S573-Q602 WeakPolarHBondContact OG-CG 3.38Å; S573-Q602 PolarHBondContact OG-OE1 3.08Å
574	G	81.8	Confident	73.3	Confident	29 Å²	29	62.6 Å²	62.6	30%	0.299	43%	0.426	S	S	.	.			trans	-70.1	-6.8	178	0	0	0	0	0	114.9	P572 K576	P572-G574 PolarHBondContact O-N 2.86Å; G574-K576 PolarHBondContact O-N 2.76Å
575	Y	78.3	Confident	71.6	Confident	72 Å²	72	71.3 Å²	71.3	28%	0.282	46%	0.458	S	S	.	.			trans	-75.8	117.6	-175.4	-177.9	-97	0	0	0	112.6	S573 G577 V580 Q602 A606	S573-Y575 PolarHBondContact O-N 3.47Å; S573-Y575 PolarHBondContact OG-N 2.91Å; Y575-G577 VanDerWaalsContact CE1-CA 3.44Å; Y575-V580 HydrophobicContact CE1-CG2 4.23Å; Y575-Q602 HydrophobicContact CD1-CG 4.08Å; Y575-Q602 PolarHBondContact O-NE2 3.31Å; Y575-A606 HydrophobicContact CD1-CB 3.76Å; Y575-A606 HydrophobicContact CD2-CB 3.99Å; Y575-A606 HydrophobicContact CE1-CB 3.49Å; Y575-A606 VanDerWaalsContact CE1-CB 3.49Å; Y575-A606 HydrophobicContact CE2-CB 3.73Å; Y575-A606 HydrophobicContact CG-CB 4Å; Y575-A606 VanDerWaalsContact CZ-CB 3.47Å
576	K	71.1	Confident	69.7	Low	206 Å²	206	74.5 Å²	74.5	90%	0.896	49%	0.485	S	S	*	.			trans	-113.2	42.8	-178.1	-63.2	177.3	-175.5	171.2	0	113.3	G574	G574-K576 PolarHBondContact O-N 2.76Å
577	G	63.5	Low	68.3	Low	20 Å²	20	74.3 Å²	74.3	21%	0.206	48%	0.483	C	S	.	.			trans	-91.1	163.8	178.8	0	0	0	0	0	115.1	Y575	Y575-G577 VanDerWaalsContact CE1-CA 3.44Å
578	P	55.7	Low	67.5	Low	130 Å²	130	71.4 Å²	71.4	84%	0.844	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	150.8	176.5	28.6	-35.2	0	0	0	111.9
579	G	56.6	Low	67.4	Low	72 Å²	72	69.8 Å²	69.8	74%	0.742	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.5	-10.2	177.1	0	0	0	0	0	116.1
580	V	56.2	Low	67.6	Low	15 Å²	15	69.7 Å²	69.7	9%	0.091	46%	0.456	C	S	.	.			trans	-117.2	16.8	-177.7	-147.4	0	0	0	0	114.3	Y575 G582 I583 Q602 V605	Y575-V580 HydrophobicContact CE1-CG2 4.23Å; V580-G582 PolarHBondContact O-N 2.9Å; V580-I583 HydrophobicContact CG1-CD1 3.5Å; V580-I583 VanDerWaalsContact CG1-CD1 3.5Å; V580-I583 HydrophobicContact CG1-CG1 3.99Å; V580-Q602 HydrophobicContact CB-CG 4.16Å; V580-Q602 HydrophobicContact CG1-CB 4.01Å; V580-Q602 HydrophobicContact CG1-CG 3.72Å; V580-Q602 HydrophobicContact CG2-CG 4.39Å; V580-V605 HydrophobicContact CG2-CG1 4.45Å
581	G	49.1	Very low	68	Low	89 Å²	89	70.8 Å²	70.8	92%	0.918	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	85	174.6	0	0	0	0	0	112.4
582	G	55.5	Low	68.6	Low	77 Å²	77	69.6 Å²	69.6	79%	0.794	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	163.7	-7.1	175.4	0	0	0	0	0	117	V580 S584	V580-G582 PolarHBondContact O-N 2.9Å; G582-S584 PolarHBondContact O-N 3.32Å
583	I	57.1	Low	68.9	Low	68 Å²	68	68.9 Å²	68.9	35%	0.349	43%	0.432	S	S	.	.			trans	-77.9	122.6	177.5	-55.1	-175.6	0	0	0	109.7	V580 L601	V580-I583 HydrophobicContact CG1-CD1 3.5Å; V580-I583 VanDerWaalsContact CG1-CD1 3.5Å; V580-I583 HydrophobicContact CG1-CG1 3.99Å; I583-L601 HydrophobicContact CD1-CD2 4.29Å; I583-L601 HydrophobicContact CD1-CG 4.44Å
584	S	53.8	Low	69.1	Low	92 Å²	92	75 Å²	75	64%	0.643	46%	0.458	S	S	*	.			trans	-65.9	142.9	178.6	-176	0	0	0	0	112.1	G582 A586	G582-S584 PolarHBondContact O-N 3.32Å; S584-A586 VanDerWaalsContact C-N 3.29Å; S584-A586 PolarHBondContact O-N 3.41Å
585	R	53	Low	69.7	Low	200 Å²	200	75 Å²	75	76%	0.755	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-63.2	-28.5	-176.6	-83	-176.3	161.8	151.3	-7.4	114.6	P572 E587	P572-R585 HydrophobicContact CB-CG 4.32Å; R585-E587 PolarHBondContact O-N 2.88Å
586	A	47.2	Very low	70.3	Confident	87 Å²	87	73.3 Å²	73.3	72%	0.719	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-72.3	-23.4	-165.4	0	0	0	0	0	115.3	S584	S584-A586 VanDerWaalsContact C-N 3.29Å; S584-A586 PolarHBondContact O-N 3.41Å
587	E	59.4	Low	71.4	Confident	104 Å²	104	66.2 Å²	66.2	49%	0.486	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-149.1	62.7	-171.7	-64.5	-173.8	104	0	0	111.8	K553 R585	K553-E587 VanDerWaalsContact CE-CD 3.41Å; K553-E587 WeakPolarHBondContact CE-OE1 3.18Å; K553-E587 WeakPolarHBondContact CE-OE2 3.29Å; K553-E587 IonicContact NZ-OE1 3.87Å; K553-E587 PolarHBondContact NZ-OE1 3.02Å; K553-E587 IonicContact NZ-OE2 2.67Å; K553-E587 PolarHBondContact NZ-OE2 3.43Å; R585-E587 PolarHBondContact O-N 2.88Å
588	S	71.8	Confident	72.9	Confident	12 Å²	12	66.3 Å²	66.3	8%	0.084	42%	0.423	C	S	.	.			trans	-104.4	-3.7	-172.5	83.1	0	0	0	0	116.3	L601	S588-L601 VanDerWaalsContact O-CB 3.31Å; S588-L601 WeakPolarHBondContact O-CB 3.25Å; S588-L601 PolarHBondContact O-N 2.85Å
589	V	86.6	Confident	74.6	Confident	9 Å²	9	60.2 Å²	60.2	6%	0.055	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	139.3	-179	176.7	0	0	0	0	112.5	V554 P557 L569 Q598 Y599	V554-V589 HydrophobicContact CB-CB 4.36Å; V554-V589 HydrophobicContact CB-CG1 4Å; V554-V589 HydrophobicContact CG2-CG1 4.12Å; V554-V589 PolarHBondContact N-O 3.26Å; V554-V589 VanDerWaalsContact N-O 3.11Å; P557-V589 HydrophobicContact CB-CB 4.46Å; P557-V589 HydrophobicContact CB-CG1 4.42Å; P557-V589 HydrophobicContact CB-CG2 4.25Å; L569-V589 HydrophobicContact CB-CG2 4.1Å; L569-V589 HydrophobicContact CD2-CG1 4.02Å; L569-V589 HydrophobicContact CD2-CG2 3.84Å; L569-V589 WeakPolarHBondContact O-CG2 3.26Å; V589-Q598 HydrophobicContact CG1-CB 4.36Å; V589-Y599 WeakPolarHBondContact CA-O 3.34Å
590	G	89.6	Confident	76.3	Confident	2 Å²	2	56.8 Å²	56.8	2%	0.021	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.5	169	0	0	0	0	0	113.2	Q552 Y599	Q552-G590 CarbonylContact O-C 3.54Å; Q552-G590 VanDerWaalsContact O-CA 3.25Å; Q552-G590 WeakPolarHBondContact O-CA 3.37Å; G590-Y599 PolarHBondContact N-O 2.92Å; G590-Y599 PolarHBondContact O-N 2.64Å
591	R	93.4	Very high	77.8	Confident	100 Å²	100	57.2 Å²	57.2	38%	0.377	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.5	173.3	169.9	169.3	-67.7	172.4	4.1	109.6	L551 Q552 V554 A593 G596 H597 Q598	L551-R591 WeakPolarHBondContact CA-O 3.19Å; Q552-R591 HydrophobicContact CB-CB 4.39Å; Q552-R591 PolarHBondContact N-O 3.42Å; Q552-R591 PolarHBondContact O-N 3.33Å; V554-R591 HydrophobicContact CG2-CB 3.74Å; R591-A593 PolarHBondContact O-N 2.58Å; R591-G596 WeakPolarHBondContact CG-O 3.42Å; R591-G596 PolarHBondContact NE-O 2.9Å; R591-H597 WeakPolarHBondContact CA-O 3.49Å; R591-Q598 HydrophobicContact CB-CG 4.23Å
592	L	93.4	Very high	79.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	124.5	173.4	-76.6	176.7	0	0	0	110.4	L551 Q594 C595 G596 H597 Y599 L604 L617 C619 Y626	L551-L592 HydrophobicContact CD1-CD2 3.54Å; L551-L592 HydrophobicContact CD1-CG 4.33Å; L592-Q594 PolarHBondContact O-N 2.72Å; L592-C595 PolarHBondContact O-N 3.21Å; L592-G596 PolarHBondContact O-N 2.61Å; L592-H597 PolarHBondContact N-O 2.78Å; L592-Y599 HydrophobicContact CD1-CD2 4.21Å; L592-Y599 HydrophobicContact CD1-CE2 3.65Å; L592-Y599 HydrophobicContact CG-CD2 4.39Å; L592-Y599 HydrophobicContact CG-CE2 4.24Å; L592-L604 HydrophobicContact CD2-CD1 4.45Å; L592-L617 HydrophobicContact CD2-CD2 3.81Å; L592-C619 HydrophobicContact CD1-CB 3.63Å; L592-Y626 HydrophobicContact CB-CE2 4.09Å; L592-Y626 WeakPolarHBondContact CB-OH 3.25Å; L592-Y626 HydrophobicContact CD1-CE2 4.09Å; L592-Y626 HydrophobicContact CD2-CD2 4.3Å; L592-Y626 HydrophobicContact CD2-CE2 4.06Å; L592-Y626 HydrophobicContact CG-CE2 4.34Å
593	A	90.3	Very high	81.2	Confident	49 Å²	49	51 Å²	51	41%	0.405	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.8	-158.8	0	0	0	0	0	117	Y550 Q552 R591 Y626	Y550-A593 PolarHBondContact O-N 2.88Å; Y550-A593 VanDerWaalsContact O-N 3.12Å; Q552-A593 HydrophobicContact CG-CB 4.21Å; R591-A593 PolarHBondContact O-N 2.58Å; A593-Y626 HydrophobicContact CB-CE1 4.45Å
594	Q	88.8	Confident	82.7	Confident	141 Å²	141	47.8 Å²	47.8	66%	0.659	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-33.6	-179.6	-62	169.3	-14.1	0	0	112.6	L592 Y626	L592-Q594 PolarHBondContact O-N 2.72Å; Q594-Y626 WeakPolarHBondContact CA-OH 3.41Å; Q594-Y626 HydrophobicContact CB-CE1 3.82Å; Q594-Y626 WeakPolarHBondContact CB-OH 3.36Å; Q594-Y626 HydrophobicContact CG-CD1 4.38Å; Q594-Y626 HydrophobicContact CG-CE1 3.67Å; Q594-Y626 PolarHBondContact N-OH 2.71Å
595	C	92.9	Very high	84.4	Confident	30 Å²	30	43.4 Å²	43.4	20%	0.203	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-0.1	-170.8	70.4	0	0	0	0	114.2	L592 H597 C622 T624 Y626	L592-C595 PolarHBondContact O-N 3.21Å; C595-H597 PolarHBondContact O-N 3.22Å; C595-H597 PolarHBondContact O-ND1 3.36Å; C595-C622 VanDerWaalsContact CB-SG 3.59Å; C595-T624 HydrophobicContact CB-CG2 4.35Å; C595-Y626 PolarHBondContact N-OH 2.65Å; C595-Y626 PolarHBondContact SG-OH 2.82Å
596	G	92.4	Very high	86	Confident	36 Å²	36	34.1 Å²	34.1	37%	0.371	20%	0.195	S	C	.	.			trans	72.9	-11.6	171.8	0	0	0	0	0	116.7	R591 L592 Q598	R591-G596 WeakPolarHBondContact CG-O 3.42Å; R591-G596 PolarHBondContact NE-O 2.9Å; L592-G596 PolarHBondContact O-N 2.61Å; G596-Q598 WeakPolarHBondContact O-CG 3.5Å
597	H	93.9	Very high	88	Confident	57 Å²	57	31.8 Å²	31.8	26%	0.264	17%	0.17	S	C	.	.			trans	-65.7	142.6	-176.8	-70.9	66.8	0	0	0	112.2	R591 L592 C595 Y599 T621 C622	R591-H597 WeakPolarHBondContact CA-O 3.49Å; L592-H597 PolarHBondContact N-O 2.78Å; C595-H597 PolarHBondContact O-N 3.22Å; C595-H597 PolarHBondContact O-ND1 3.36Å; H597-Y599 HydrophobicContact CB-CE2 3.68Å; H597-T621 WeakPolarHBondContact CD2-CB 3.2Å; H597-T621 WeakPolarHBondContact NE2-CG2 3.23Å; H597-C622 PolarHBondContact CE1-SG 3.4Å; H597-C622 PolarHBondContact ND1-SG 3.02Å
598	Q	93.7	Very high	89.3	Confident	22 Å²	22	27.6 Å²	27.6	10%	0.103	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.3	-166.3	-55	-174	86.9	0	0	111.5	L569 V589 R591 G596	L569-Q598 HydrophobicContact CD1-CB 3.78Å; V589-Q598 HydrophobicContact CG1-CB 4.36Å; R591-Q598 HydrophobicContact CB-CG 4.23Å; G596-Q598 WeakPolarHBondContact O-CG 3.5Å
599	Y	92.9	Very high	89.9	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	157.4	-177.6	-50.3	-81.5	0	0	0	111.5	I564 V589 G590 L592 H597 L601 L604 C619 P620 T621	I564-Y599 HydrophobicContact CD1-CD1 3.61Å; I564-Y599 HydrophobicContact CD1-CE1 4.28Å; I564-Y599 HydrophobicContact CD1-CG 3.92Å; I564-Y599 HydrophobicContact CG1-CD1 3.75Å; I564-Y599 HydrophobicContact CG1-CE1 4.17Å; V589-Y599 WeakPolarHBondContact CA-O 3.34Å; G590-Y599 PolarHBondContact N-O 2.92Å; G590-Y599 PolarHBondContact O-N 2.64Å; L592-Y599 HydrophobicContact CD1-CD2 4.21Å; L592-Y599 HydrophobicContact CD1-CE2 3.65Å; L592-Y599 HydrophobicContact CG-CD2 4.39Å; L592-Y599 HydrophobicContact CG-CE2 4.24Å; H597-Y599 HydrophobicContact CB-CE2 3.68Å; Y599-L601 PolarHBondContact O-N 2.88Å; Y599-L604 HydrophobicContact CD2-CD1 3.85Å; Y599-L604 HydrophobicContact CD2-CD2 4.06Å; Y599-L604 HydrophobicContact CD2-CG 4.2Å; Y599-L604 HydrophobicContact CG-CD1 4.2Å; Y599-L604 HydrophobicContact CG-CD2 4.22Å; Y599-L604 HydrophobicContact CG-CG 4.18Å; Y599-C619 PolarHBondContact OH-SG 2.83Å; Y599-P620 HydrophobicContact CD1-CG 4.36Å; Y599-P620 HydrophobicContact CE1-CG 3.64Å; Y599-P620 HydrophobicContact CE2-CG 4.29Å; Y599-T621 WeakPolarHBondContact OH-CB 3.47Å; Y599-T621 PolarHBondContact OH-N 2.96Å; Y599-T621 PolarHBondContact OH-OG1 3.27Å
600	H	90.8	Very high	89.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	129	162.1	-60.2	120.6	0	0	0	110.6	C562 C565 G571 S573 Q602 C603 L604	C562-H600 VanDerWaalsContact CB-ND1 3.35Å; C562-H600 WeakPolarHBondContact CB-ND1 3.21Å; C562-H600 PolarHBondContact SG-N 2.79Å; C562-H600 PolarHBondContact SG-ND1 2.92Å; C565-H600 PolarHBondContact SG-ND1 3.37Å; C565-H600 VanDerWaalsContact SG-ND1 3.35Å; G571-H600 PolarHBondContact O-NE2 3.46Å; S573-H600 VanDerWaalsContact CB-CG 3.46Å; H600-Q602 PolarHBondContact O-N 2.94Å; H600-C603 HydrophobicContact CB-CB 4.11Å; H600-C603 WeakPolarHBondContact O-CB 3.25Å; H600-C603 PolarHBondContact O-N 2.95Å; H600-L604 PolarHBondContact O-N 2.98Å; H600-L604 VanDerWaalsContact O-N 3.16Å
601	L	88.3	Confident	89	Confident	24 Å²	24	35.7 Å²	35.7	13%	0.126	20%	0.197	C	C	.	.	H	α-helix	trans	-53.6	-41.6	174.7	171.8	62.9	0	0	0	111.2	V547 K548 L551 I583 S588 Y599 C603 L604 V605	V547-L601 HydrophobicContact CB-CD1 4.32Å; V547-L601 HydrophobicContact CG1-CD1 3.64Å; K548-L601 HydrophobicContact CG-CD1 4.05Å; K548-L601 HydrophobicContact CG-CD2 4.25Å; L551-L601 HydrophobicContact CD2-CB 4.31Å; L551-L601 HydrophobicContact CD2-CD1 3.81Å; I583-L601 HydrophobicContact CD1-CD2 4.29Å; I583-L601 HydrophobicContact CD1-CG 4.44Å; S588-L601 VanDerWaalsContact O-CB 3.31Å; S588-L601 WeakPolarHBondContact O-CB 3.25Å; S588-L601 PolarHBondContact O-N 2.85Å; Y599-L601 PolarHBondContact O-N 2.88Å; L601-C603 VanDerWaalsContact C-N 3.32Å; L601-C603 PolarHBondContact O-N 2.89Å; L601-L604 PolarHBondContact O-N 2.88Å; L601-V605 HydrophobicContact CD1-CG2 4Å; L601-V605 HydrophobicContact CG-CG2 4.39Å; L601-V605 WeakPolarHBondContact O-CB 3.47Å; L601-V605 VanDerWaalsContact O-CG2 3.3Å; L601-V605 WeakPolarHBondContact O-CG2 3.36Å; L601-V605 PolarHBondContact O-N 2.81Å
602	Q	86.6	Confident	88.1	Confident	34 Å²	34	34.6 Å²	34.6	16%	0.159	20%	0.199	C	C	.	.	H	α-helix	trans	-57.4	-41.4	175	171.8	167.7	36.8	0	0	112.6	S573 Y575 V580 H600 A606	S573-Q602 VanDerWaalsContact OG-CG 3.3Å; S573-Q602 WeakPolarHBondContact OG-CG 3.38Å; S573-Q602 PolarHBondContact OG-OE1 3.08Å; Y575-Q602 HydrophobicContact CD1-CG 4.08Å; Y575-Q602 PolarHBondContact O-NE2 3.31Å; V580-Q602 HydrophobicContact CB-CG 4.16Å; V580-Q602 HydrophobicContact CG1-CB 4.01Å; V580-Q602 HydrophobicContact CG1-CG 3.72Å; V580-Q602 HydrophobicContact CG2-CG 4.39Å; H600-Q602 PolarHBondContact O-N 2.94Å; Q602-A606 WeakPolarHBondContact O-CB 3.49Å; Q602-A606 PolarHBondContact O-N 2.98Å
603	C	89.2	Confident	87.5	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.014	22%	0.222	C	C	.	.	H	α-helix	trans	-68.8	-40.7	178.3	-70.1	0	0	0	0	112.5	I564 C565 H600 L601 A606 M607	I564-C603 HydrophobicContact CB-CB 3.8Å; I564-C603 HydrophobicContact CD1-CB 3.76Å; I564-C603 HydrophobicContact CG1-CB 4.37Å; I564-C603 HydrophobicContact CG2-CB 3.76Å; C565-C603 VanDerWaalsContact SG-SG 3.62Å; H600-C603 HydrophobicContact CB-CB 4.11Å; H600-C603 WeakPolarHBondContact O-CB 3.25Å; H600-C603 PolarHBondContact O-N 2.95Å; L601-C603 VanDerWaalsContact C-N 3.32Å; L601-C603 PolarHBondContact O-N 2.89Å; C603-A606 PolarHBondContact O-N 3.44Å; C603-M607 WeakPolarHBondContact O-CB 3.2Å; C603-M607 PolarHBondContact O-N 3.39Å
604	L	89.8	Confident	86.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-70.4	-35.9	175.7	-72.7	174.9	0	0	0	112.6	V547 L551 I564 L592 Y599 H600 L601 M607 Y608	V547-L604 HydrophobicContact CG1-CB 3.63Å; V547-L604 HydrophobicContact CG1-CD1 4.3Å; L551-L604 HydrophobicContact CD1-CD1 3.59Å; L551-L604 HydrophobicContact CD2-CD1 3.96Å; L551-L604 HydrophobicContact CG-CD1 4.3Å; I564-L604 HydrophobicContact CD1-CD2 3.68Å; I564-L604 HydrophobicContact CD1-CG 4.02Å; L592-L604 HydrophobicContact CD2-CD1 4.45Å; Y599-L604 HydrophobicContact CD2-CD1 3.85Å; Y599-L604 HydrophobicContact CD2-CD2 4.06Å; Y599-L604 HydrophobicContact CD2-CG 4.2Å; Y599-L604 HydrophobicContact CG-CD1 4.2Å; Y599-L604 HydrophobicContact CG-CD2 4.22Å; Y599-L604 HydrophobicContact CG-CG 4.18Å; H600-L604 PolarHBondContact O-N 2.98Å; H600-L604 VanDerWaalsContact O-N 3.16Å; L601-L604 PolarHBondContact O-N 2.88Å; L604-M607 HydrophobicContact CD2-CE 3.56Å; L604-M607 HydrophobicContact CD2-SD 4.26Å; L604-M607 PolarHBondContact O-N 2.75Å; L604-Y608 WeakPolarHBondContact O-CB 3.33Å; L604-Y608 PolarHBondContact O-N 3.03Å
605	V	88.4	Confident	86.6	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.1	-42	172.3	164.3	0	0	0	0	111.1	P543 E544 V547 V580 L601 N609	P543-V605 HydrophobicContact CB-CG1 4.47Å; E544-V605 HydrophobicContact CG-CG1 4.15Å; E544-V605 HydrophobicContact CG-CG2 4.19Å; E544-V605 WeakPolarHBondContact OE1-CG1 3.31Å; V547-V605 HydrophobicContact CB-CG2 3.98Å; V547-V605 HydrophobicContact CG1-CG2 4.2Å; V547-V605 HydrophobicContact CG2-CG2 4.08Å; V580-V605 HydrophobicContact CG2-CG1 4.45Å; L601-V605 HydrophobicContact CD1-CG2 4Å; L601-V605 HydrophobicContact CG-CG2 4.39Å; L601-V605 WeakPolarHBondContact O-CB 3.47Å; L601-V605 VanDerWaalsContact O-CG2 3.3Å; L601-V605 WeakPolarHBondContact O-CG2 3.36Å; L601-V605 PolarHBondContact O-N 2.81Å; V605-N609 VanDerWaalsContact O-CB 3.26Å; V605-N609 WeakPolarHBondContact O-CB 3.4Å; V605-N609 PolarHBondContact O-N 2.83Å; V605-N609 PolarHBondContact O-ND2 3.36Å
606	A	86.6	Confident	86.4	Confident	5 Å²	5	33.3 Å²	33.3	4%	0.041	19%	0.188	C	C	.	.	H	α-helix	trans	-63.4	-45.9	173.2	0	0	0	0	0	112.1	Y575 Q602 C603 N609 N610	Y575-A606 HydrophobicContact CD1-CB 3.76Å; Y575-A606 HydrophobicContact CD2-CB 3.99Å; Y575-A606 HydrophobicContact CE1-CB 3.49Å; Y575-A606 VanDerWaalsContact CE1-CB 3.49Å; Y575-A606 HydrophobicContact CE2-CB 3.73Å; Y575-A606 HydrophobicContact CG-CB 4Å; Y575-A606 VanDerWaalsContact CZ-CB 3.47Å; Q602-A606 WeakPolarHBondContact O-CB 3.49Å; Q602-A606 PolarHBondContact O-N 2.98Å; C603-A606 PolarHBondContact O-N 3.44Å; A606-N609 PolarHBondContact O-N 2.83Å; A606-N610 PolarHBondContact O-N 2.97Å; A606-N610 PolarHBondContact O-ND2 2.72Å
607	M	88.6	Confident	86.3	Confident	38 Å²	38	31.8 Å²	31.8	19%	0.187	17%	0.171	C	C	.	.	H	α-helix	trans	-59.6	-47.3	176.8	-174.7	-172.4	77.8	0	0	111.7	C603 L604 N609 N610 G611 L617 Q618 P620	C603-M607 WeakPolarHBondContact O-CB 3.2Å; C603-M607 PolarHBondContact O-N 3.39Å; L604-M607 HydrophobicContact CD2-CE 3.56Å; L604-M607 HydrophobicContact CD2-SD 4.26Å; L604-M607 PolarHBondContact O-N 2.75Å; M607-N609 VanDerWaalsContact C-N 3.34Å; M607-N609 PolarHBondContact O-N 2.87Å; M607-N610 PolarHBondContact O-N 2.89Å; M607-G611 PolarHBondContact O-N 2.86Å; M607-L617 HydrophobicContact CE-CD1 3.58Å; M607-Q618 VanDerWaalsContact CE-O 3.26Å; M607-Q618 WeakPolarHBondContact CE-O 3.39Å; M607-P620 HydrophobicContact SD-CB 3.93Å; M607-P620 HydrophobicContact SD-CG 3.99Å
608	Y	87.4	Confident	86.1	Confident	17 Å²	17	31.7 Å²	31.7	7%	0.067	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-39.5	174.9	-179.9	-87.7	0	0	0	111.7	P543 V546 V547 L604 N610 G611 K613 G615 S616 L617	P543-Y608 HydrophobicContact CB-CD1 3.8Å; P543-Y608 HydrophobicContact CB-CE1 4.03Å; P543-Y608 HydrophobicContact CG-CD1 4.46Å; P543-Y608 HydrophobicContact CG-CE1 4.38Å; V546-Y608 HydrophobicContact CB-CE1 4.47Å; V546-Y608 HydrophobicContact CB-CE2 4.25Å; V546-Y608 HydrophobicContact CG1-CD2 4.31Å; V546-Y608 HydrophobicContact CG1-CE2 3.57Å; V547-Y608 HydrophobicContact CG2-CG 4.2Å; L604-Y608 WeakPolarHBondContact O-CB 3.33Å; L604-Y608 PolarHBondContact O-N 3.03Å; Y608-N610 PolarHBondContact O-N 2.67Å; Y608-G611 PolarHBondContact O-N 2.93Å; Y608-K613 HydrophobicContact CE1-CB 3.97Å; Y608-K613 HydrophobicContact CE1-CG 4.31Å; Y608-K613 WeakPolarHBondContact OH-CA 3.4Å; Y608-K613 PolarHBondContact OH-O 2.82Å; Y608-K613 VanDerWaalsContact OH-O 3.09Å; Y608-G615 WeakPolarHBondContact OH-CA 3.5Å; Y608-G615 PolarHBondContact OH-N 2.83Å; Y608-S616 WeakPolarHBondContact CD2-O 3.34Å; Y608-S616 WeakPolarHBondContact CE2-O 3.41Å; Y608-L617 HydrophobicContact CD2-CD1 4.41Å
609	N	83.8	Confident	86	Confident	47 Å²	47	30.7 Å²	30.7	25%	0.251	17%	0.166	S	C	.	.	H	α-helix	trans	-68.4	-14.3	176	-92.3	-52.2	0	0	0	114.8	P543 V605 A606 M607 K613	P543-N609 WeakPolarHBondContact CB-ND2 3.42Å; P543-N609 WeakPolarHBondContact CG-OD1 3.31Å; V605-N609 VanDerWaalsContact O-CB 3.26Å; V605-N609 WeakPolarHBondContact O-CB 3.4Å; V605-N609 PolarHBondContact O-N 2.83Å; V605-N609 PolarHBondContact O-ND2 3.36Å; A606-N609 PolarHBondContact O-N 2.83Å; M607-N609 VanDerWaalsContact C-N 3.34Å; M607-N609 PolarHBondContact O-N 2.87Å; N609-K613 WeakPolarHBondContact O-CE 3.47Å; N609-K613 PolarHBondContact O-NZ 3.11Å; N609-K613 PolarHBondContact OD1-NZ 2.89Å
610	N	79.5	Confident	85.9	Confident	118 Å²	118	32 Å²	32	63%	0.631	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	0.4	171.3	-65.9	-22.3	0	0	0	112.9	A606 M607 Y608	A606-N610 PolarHBondContact O-N 2.97Å; A606-N610 PolarHBondContact O-ND2 2.72Å; M607-N610 PolarHBondContact O-N 2.89Å; Y608-N610 PolarHBondContact O-N 2.67Å
611	G	78.1	Confident	85.9	Confident	27 Å²	27	35.1 Å²	35.1	28%	0.278	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-164.6	177.7	0	0	0	0	0	113.7	M607 Y608 K613	M607-G611 PolarHBondContact O-N 2.86Å; Y608-G611 PolarHBondContact O-N 2.93Å; G611-K613 WeakPolarHBondContact O-CG 3.49Å; G611-K613 PolarHBondContact O-N 2.99Å; G611-K613 VanDerWaalsContact O-N 3.14Å
612	N	75.3	Confident	86	Confident	78 Å²	78	36.6 Å²	36.6	42%	0.417	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-14	-172.6	-61.8	0.4	0	0	0	115	D614 T630	N612-D614 HydrophobicContact CB-CB 4.47Å; N612-D614 PolarHBondContact O-N 2.69Å; N612-T630 PolarHBondContact ND2-O 3.05Å
613	K	80	Confident	86.1	Confident	108 Å²	108	39.5 Å²	39.5	47%	0.47	22%	0.218	S	C	.	.			trans	52.5	31.4	-178.1	-42.7	-166.7	-169.1	-155.4	0	115.2	Y608 N609 G611 G615	Y608-K613 HydrophobicContact CE1-CB 3.97Å; Y608-K613 HydrophobicContact CE1-CG 4.31Å; Y608-K613 WeakPolarHBondContact OH-CA 3.4Å; Y608-K613 PolarHBondContact OH-O 2.82Å; Y608-K613 VanDerWaalsContact OH-O 3.09Å; N609-K613 WeakPolarHBondContact O-CE 3.47Å; N609-K613 PolarHBondContact O-NZ 3.11Å; N609-K613 PolarHBondContact OD1-NZ 2.89Å; G611-K613 WeakPolarHBondContact O-CG 3.49Å; G611-K613 PolarHBondContact O-N 2.99Å; G611-K613 VanDerWaalsContact O-N 3.14Å; K613-G615 VanDerWaalsContact C-N 3.35Å; K613-G615 PolarHBondContact O-N 2.9Å
614	D	77.3	Confident	86.1	Confident	52 Å²	52	41.4 Å²	41.4	28%	0.278	23%	0.23	S	C	.	.	S	Bend	trans	-83.9	-4.4	-171.2	65.3	-10.9	0	0	0	115.3	N612 S616 T630	N612-D614 HydrophobicContact CB-CB 4.47Å; N612-D614 PolarHBondContact O-N 2.69Å; D614-S616 WeakPolarHBondContact OD1-CB 3.44Å; D614-S616 PolarHBondContact OD1-N 2.8Å; D614-S616 PolarHBondContact OD1-OG 3.12Å; D614-S616 PolarHBondContact OD2-OG 2.55Å; D614-T630 WeakPolarHBondContact CB-OG1 3.2Å; D614-T630 WeakPolarHBondContact OD2-CA 3.27Å; D614-T630 PolarHBondContact OD2-N 3.4Å; D614-T630 PolarHBondContact OD2-OG1 3.03Å
615	G	83.1	Confident	86.1	Confident	18 Å²	18	42.8 Å²	42.8	19%	0.186	24%	0.237	C	C	.	.	S	Bend	trans	99	-2.6	-173.2	0	0	0	0	0	114.2	Y550 Y608 K613	Y550-G615 PolarHBondContact OH-O 2.95Å; Y608-G615 WeakPolarHBondContact OH-CA 3.5Å; Y608-G615 PolarHBondContact OH-N 2.83Å; K613-G615 VanDerWaalsContact C-N 3.35Å; K613-G615 PolarHBondContact O-N 2.9Å
616	S	88.6	Confident	86.1	Confident	14 Å²	14	43 Å²	43	10%	0.098	24%	0.238	C	C	.	.			trans	-96.6	155.3	172.4	77.2	0	0	0	0	112.6	Y608 D614 Y626	Y608-S616 WeakPolarHBondContact CD2-O 3.34Å; Y608-S616 WeakPolarHBondContact CE2-O 3.41Å; D614-S616 WeakPolarHBondContact OD1-CB 3.44Å; D614-S616 PolarHBondContact OD1-N 2.8Å; D614-S616 PolarHBondContact OD1-OG 3.12Å; D614-S616 PolarHBondContact OD2-OG 2.55Å; S616-Y626 CarbonylContact C-O 3.52Å; S616-Y626 WeakPolarHBondContact CA-O 3.45Å
617	L	89.8	Confident	86.2	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	122.2	174.1	-177.2	65.6	0	0	0	109.3	V547 Y550 L551 L592 M607 Y608 Y626	V547-L617 HydrophobicContact CG1-CD2 4.23Å; V547-L617 HydrophobicContact CG2-CD1 4.32Å; V547-L617 HydrophobicContact CG2-CD2 4.36Å; Y550-L617 HydrophobicContact CD2-CB 3.9Å; Y550-L617 HydrophobicContact CD2-CD2 4.33Å; Y550-L617 HydrophobicContact CE2-CB 4.36Å; L551-L617 HydrophobicContact CD1-CD2 4.38Å; L592-L617 HydrophobicContact CD2-CD2 3.81Å; M607-L617 HydrophobicContact CE-CD1 3.58Å; Y608-L617 HydrophobicContact CD2-CD1 4.41Å; L617-Y626 PolarHBondContact N-O 2.78Å; L617-Y626 WeakPolarHBondContact O-CB 3.45Å; L617-Y626 WeakPolarHBondContact O-CD2 3.45Å; L617-Y626 PolarHBondContact O-N 2.71Å
618	Q	90.6	Very high	86.2	Confident	56 Å²	56	46.6 Å²	46.6	26%	0.262	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.2	174.7	-168.4	158.3	21.5	0	0	110	M607 K623 T624 I625	M607-Q618 VanDerWaalsContact CE-O 3.26Å; M607-Q618 WeakPolarHBondContact CE-O 3.39Å; Q618-K623 WeakPolarHBondContact CG-O 3.41Å; Q618-K623 PolarHBondContact NE2-O 2.97Å; Q618-T624 WeakPolarHBondContact CA-O 3.24Å; Q618-I625 HydrophobicContact CB-CG1 4.33Å; Q618-I625 HydrophobicContact CG-CG1 3.94Å
619	C	92.1	Very high	86.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.273	C	S	.	.			trans	-64.1	124.8	175.5	177.6	0	0	0	0	110	L592 Y599 T621 C622 K623 T624	L592-C619 HydrophobicContact CD1-CB 3.63Å; Y599-C619 PolarHBondContact OH-SG 2.83Å; C619-T621 VanDerWaalsContact C-N 3.3Å; C619-T621 PolarHBondContact O-N 2.76Å; C619-C622 PolarHBondContact SG-SG 3.24Å; C619-K623 WeakPolarHBondContact O-CA 3.1Å; C619-K623 PolarHBondContact O-N 2.89Å; C619-T624 PolarHBondContact N-O 3.18Å
620	P	90.5	Very high	86.5	Confident	29 Å²	29	47.1 Å²	47.1	19%	0.188	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-30.2	-176.1	24.9	-32.3	0	0	0	112.9	I564 Y599 M607 K623	I564-P620 HydrophobicContact CD1-CG 4.06Å; I564-P620 HydrophobicContact CG1-CG 4Å; Y599-P620 HydrophobicContact CD1-CG 4.36Å; Y599-P620 HydrophobicContact CE1-CG 3.64Å; Y599-P620 HydrophobicContact CE2-CG 4.29Å; M607-P620 HydrophobicContact SD-CB 3.93Å; M607-P620 HydrophobicContact SD-CG 3.99Å; P620-K623 PolarHBondContact O-NZ 3.44Å
621	T	90.7	Very high	86.9	Confident	67 Å²	67	41.9 Å²	41.9	41%	0.411	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-69.1	-179.6	-47.3	0	0	0	0	111.8	T563 H597 Y599 C619	T563-T621 PolarHBondContact OG1-OG1 3.03Å; H597-T621 WeakPolarHBondContact CD2-CB 3.2Å; H597-T621 WeakPolarHBondContact NE2-CG2 3.23Å; Y599-T621 WeakPolarHBondContact OH-CB 3.47Å; Y599-T621 PolarHBondContact OH-N 2.96Å; Y599-T621 PolarHBondContact OH-OG1 3.27Å; C619-T621 VanDerWaalsContact C-N 3.3Å; C619-T621 PolarHBondContact O-N 2.76Å
622	C	89.2	Confident	87.5	Confident	54 Å²	54	41.4 Å²	41.4	37%	0.365	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	6.6	-173.3	62.4	0	0	0	0	115.5	C595 H597 C619 T624	C595-C622 VanDerWaalsContact CB-SG 3.59Å; H597-C622 PolarHBondContact CE1-SG 3.4Å; H597-C622 PolarHBondContact ND1-SG 3.02Å; C619-C622 PolarHBondContact SG-SG 3.24Å; C622-T624 PolarHBondContact O-N 3.47Å; C622-T624 PolarHBondContact SG-OG1 2.82Å; C622-T624 VanDerWaalsContact SG-OG1 3.37Å
623	K	89.1	Confident	88.4	Confident	95 Å²	95	37.7 Å²	37.7	41%	0.413	22%	0.219	S	C	.	.			trans	61.7	4.3	175.1	-47.5	-52	-176.5	-170	0	116.9	Q618 C619 P620 I625	Q618-K623 WeakPolarHBondContact CG-O 3.41Å; Q618-K623 PolarHBondContact NE2-O 2.97Å; C619-K623 WeakPolarHBondContact O-CA 3.1Å; C619-K623 PolarHBondContact O-N 2.89Å; P620-K623 PolarHBondContact O-NZ 3.44Å; K623-I625 PolarHBondContact O-N 3.08Å
624	T	89.3	Confident	89	Confident	42 Å²	42	32.6 Å²	32.6	26%	0.258	20%	0.197	S	C	.	.			trans	-49.8	132.8	169.8	-51.8	0	0	0	0	111.5	C595 Q618 C619 C622 Y626	C595-T624 HydrophobicContact CB-CG2 4.35Å; Q618-T624 WeakPolarHBondContact CA-O 3.24Å; C619-T624 PolarHBondContact N-O 3.18Å; C622-T624 PolarHBondContact O-N 3.47Å; C622-T624 PolarHBondContact SG-OG1 2.82Å; C622-T624 VanDerWaalsContact SG-OG1 3.37Å; T624-Y626 HydrophobicContact CG2-CD2 4.43Å; T624-Y626 HydrophobicContact CG2-CE2 3.79Å
625	I	90.3	Very high	89.7	Confident	29 Å²	29	32.6 Å²	32.6	15%	0.149	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.7	-178.7	-70.3	163.4	0	0	0	109.7	Q618 K623 G627 K629 A761	Q618-I625 HydrophobicContact CB-CG1 4.33Å; Q618-I625 HydrophobicContact CG-CG1 3.94Å; K623-I625 PolarHBondContact O-N 3.08Å; I625-G627 WeakPolarHBondContact CG2-O 3.5Å; I625-K629 HydrophobicContact CD1-CB 4.36Å; I625-K629 HydrophobicContact CD1-CD 3.55Å; I625-K629 HydrophobicContact CG1-CD 4.22Å; I625-K629 HydrophobicContact CG2-CB 3.85Å; I625-A761 VanDerWaalsContact CD1-O 3.28Å; I625-A761 WeakPolarHBondContact CD1-O 3.25Å
626	Y	88.3	Confident	90.2	Very high	5 Å²	5	32.4 Å²	32.4	2%	0.02	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.3	176.2	-67.3	-100.7	0	0	0	109.6	Y550 L592 A593 Q594 C595 S616 L617 T624	Y550-Y626 HydrophobicContact CD1-CD1 4.03Å; Y550-Y626 HydrophobicContact CD1-CG 4.33Å; Y550-Y626 HydrophobicContact CG-CD1 4.09Å; Y550-Y626 HydrophobicContact CG-CG 4.13Å; L592-Y626 HydrophobicContact CB-CE2 4.09Å; L592-Y626 WeakPolarHBondContact CB-OH 3.25Å; L592-Y626 HydrophobicContact CD1-CE2 4.09Å; L592-Y626 HydrophobicContact CD2-CD2 4.3Å; L592-Y626 HydrophobicContact CD2-CE2 4.06Å; L592-Y626 HydrophobicContact CG-CE2 4.34Å; A593-Y626 HydrophobicContact CB-CE1 4.45Å; Q594-Y626 WeakPolarHBondContact CA-OH 3.41Å; Q594-Y626 HydrophobicContact CB-CE1 3.82Å; Q594-Y626 WeakPolarHBondContact CB-OH 3.36Å; Q594-Y626 HydrophobicContact CG-CD1 4.38Å; Q594-Y626 HydrophobicContact CG-CE1 3.67Å; Q594-Y626 PolarHBondContact N-OH 2.71Å; C595-Y626 PolarHBondContact N-OH 2.65Å; C595-Y626 PolarHBondContact SG-OH 2.82Å; S616-Y626 CarbonylContact C-O 3.52Å; S616-Y626 WeakPolarHBondContact CA-O 3.45Å; L617-Y626 PolarHBondContact N-O 2.78Å; L617-Y626 WeakPolarHBondContact O-CB 3.45Å; L617-Y626 WeakPolarHBondContact O-CD2 3.45Å; L617-Y626 PolarHBondContact O-N 2.71Å; T624-Y626 HydrophobicContact CG2-CD2 4.43Å; T624-Y626 HydrophobicContact CG2-CE2 3.79Å
627	G	88.4	Confident	90.5	Very high	41 Å²	41	35.1 Å²	35.1	42%	0.423	21%	0.207	S	C	.	.	S	Bend	trans	76.2	-174	-171.2	0	0	0	0	0	112.9	I625 K629	I625-G627 WeakPolarHBondContact CG2-O 3.5Å; G627-K629 PolarHBondContact O-N 2.9Å
628	V	88.6	Confident	90.7	Very high	78 Å²	78	34.9 Å²	34.9	47%	0.473	21%	0.206	S	C	.	.			trans	-88.1	108.2	-177.7	172.5	0	0	0	0	109.7	T630	V628-T630 HydrophobicContact CG1-CG2 4.43Å
629	K	88.8	Confident	90.9	Very high	32 Å²	32	35 Å²	35	14%	0.139	21%	0.207	C	C	.	.			trans	-69.3	139.6	175	-175.4	176.6	-179.8	179.9	0	111	I625 G627 L710	I625-K629 HydrophobicContact CD1-CB 4.36Å; I625-K629 HydrophobicContact CD1-CD 3.55Å; I625-K629 HydrophobicContact CG1-CD 4.22Å; I625-K629 HydrophobicContact CG2-CB 3.85Å; G627-K629 PolarHBondContact O-N 2.9Å; K629-L710 HydrophobicContact CG-CD2 4.32Å
630	T	88.9	Confident	91	Very high	42 Å²	42	35.1 Å²	35.1	26%	0.258	21%	0.207	S	C	.	.			trans	-136.9	152.9	173.1	66.6	0	0	0	0	110.8	N612 D614 V628 R708	N612-T630 PolarHBondContact ND2-O 3.05Å; D614-T630 WeakPolarHBondContact CB-OG1 3.2Å; D614-T630 WeakPolarHBondContact OD2-CA 3.27Å; D614-T630 PolarHBondContact OD2-N 3.4Å; D614-T630 PolarHBondContact OD2-OG1 3.03Å; V628-T630 HydrophobicContact CG1-CG2 4.43Å; T630-R708 CarbonylContact C-O 3.53Å; T630-R708 WeakPolarHBondContact CA-O 3.3Å; T630-R708 VanDerWaalsContact CB-O 3.25Å; T630-R708 WeakPolarHBondContact CB-O 3.48Å; T630-R708 HydrophobicContact CG2-CB 4.37Å
631	G	88.8	Confident	91.2	Very high	9 Å²	9	35 Å²	35	9%	0.093	20%	0.204	C	C	.	.			trans	-102.8	-175.1	177.2	0	0	0	0	0	113	R708 R709	G631-R708 PolarHBondContact N-O 3.46Å; G631-R709 CarbonylContact C-O 3.5Å; G631-R709 VanDerWaalsContact C-O 3.24Å; G631-R709 WeakPolarHBondContact CA-O 3.4Å; G631-R709 WeakPolarHBondContact O-CB 3.48Å
632	N	90	Very high	91.4	Very high	17 Å²	17	32.1 Å²	32.1	9%	0.091	19%	0.186	C	C	.	.			trans	-104.9	9.6	-179.1	66.2	2.7	0	0	0	113.4	E670 H671 R709 S713	N632-E670 HydrophobicContact CB-CB 4.23Å; N632-E670 HydrophobicContact CB-CG 3.69Å; N632-E670 WeakPolarHBondContact CB-O 3.32Å; N632-E670 PolarHBondContact ND2-O 2.81Å; N632-H671 CovalentContact O-NE2 1.78Å; N632-H671 PolarHBondContact O-NE2 3.45Å; N632-R709 PolarHBondContact O-NH2 2.97Å; N632-S713 WeakPolarHBondContact OD1-CA 3.2Å; N632-S713 PolarHBondContact OD1-OG 3.27Å; N632-S713 VanDerWaalsContact OD1-OG 3.09Å
633	Q	93.9	Very high	91.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.169	C	C	.	.			trans	-35.6	125.9	175.5	179.7	-177.1	-62	0	0	112.8	I662 W706 R709 F712	Q633-I662 HydrophobicContact CG-CD1 4.13Å; Q633-W706 PolarHBondContact NE2-O 3.44Å; Q633-R709 HydrophobicContact CB-CB 3.73Å; Q633-R709 HydrophobicContact CB-CG 4.43Å; Q633-R709 WeakPolarHBondContact CB-O 3.26Å; Q633-R709 PolarHBondContact N-O 2.86Å; Q633-R709 VanDerWaalsContact O-CZ 3.32Å; Q633-R709 PolarHBondContact O-NE 2.96Å; Q633-R709 PolarHBondContact O-NH2 3.38Å; Q633-F712 VanDerWaalsContact CA-O 3.23Å; Q633-F712 WeakPolarHBondContact CA-O 3.5Å; Q633-F712 VanDerWaalsContact CB-O 3.23Å; Q633-F712 WeakPolarHBondContact CB-O 3.29Å; Q633-F712 HydrophobicContact CG-CB 4.12Å; Q633-F712 HydrophobicContact CG-CD2 4.35Å; Q633-F712 PolarHBondContact N-O 3.13Å
634	P	93.1	Very high	91.8	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	17%	0.165	C	C	.	.			trans	-63.3	164.1	178.3	-25.7	36	0	0	0	114.2	I662 F678 V714 V726	P634-I662 HydrophobicContact CB-CG2 3.94Å; P634-I662 HydrophobicContact CG-CG2 4.41Å; P634-F678 HydrophobicContact CB-CE1 4.24Å; P634-F678 HydrophobicContact CB-CE2 3.99Å; P634-F678 HydrophobicContact CB-CZ 3.53Å; P634-F678 HydrophobicContact CG-CD2 4.5Å; P634-F678 HydrophobicContact CG-CE1 4.23Å; P634-F678 HydrophobicContact CG-CE2 3.86Å; P634-F678 HydrophobicContact CG-CZ 3.72Å; P634-V714 HydrophobicContact CG-CG2 3.51Å; P634-V726 HydrophobicContact CG-CG2 4.14Å
635	P	91.6	Very high	91.9	Very high	51 Å²	51	27.8 Å²	27.8	33%	0.331	16%	0.163	S	C	.	.	S	Bend	trans	-56.4	139.6	171.6	-24.7	35.7	0	0	0	112.2	T532 K534	T532-P635 WeakPolarHBondContact O-CA 3.47Å; T532-P635 WeakPolarHBondContact O-CB 3.44Å; K534-P635 HydrophobicContact CB-CG 4.31Å
636	G	93.8	Very high	92	Very high	14 Å²	14	29 Å²	29	14%	0.144	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	-164.8	-177.1	0	0	0	0	0	113.8	K531 T532 N661	K531-G636 WeakPolarHBondContact CA-O 3.35Å; T532-G636 PolarHBondContact N-O 3.39Å; T532-G636 PolarHBondContact O-N 2.98Å; T532-G636 PolarHBondContact OG1-N 3.07Å; T532-G636 PolarHBondContact OG1-O 3.16Å; G636-N661 WeakPolarHBondContact CA-O 3.43Å
637	K	94.6	Very high	92.3	Very high	71 Å²	71	29 Å²	29	31%	0.309	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.8	-178.1	-162.6	-177.6	-169.2	-171.3	0	110.7	C529 K531 E639 N661 W706	C529-K637 WeakPolarHBondContact SG-CE 3.48Å; K531-K637 HydrophobicContact CG-CG 4.3Å; K637-E639 HydrophobicContact CD-CG 4.06Å; K637-E639 WeakPolarHBondContact CD-OE1 3.49Å; K637-E639 WeakPolarHBondContact CE-OE1 3.42Å; K637-E639 HydrophobicContact CG-CG 4.19Å; K637-E639 IonicContact NZ-OE1 3.71Å; K637-E639 PolarHBondContact NZ-OE1 3.2Å; K637-N661 PolarHBondContact N-O 2.89Å; K637-N661 PolarHBondContact O-N 2.92Å; K637-W706 VanDerWaalsContact C-CZ2 3.49Å
638	M	95.2	Very high	92.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	118.8	167.6	173.5	-174.1	-177	0	0	107.6	C529 R530 I658 I659 Y660 L699 L702 L703 W706	C529-M638 CarbonylContact C-O 3.59Å; C529-M638 VanDerWaalsContact CA-O 3.27Å; C529-M638 WeakPolarHBondContact CA-O 3.38Å; R530-M638 PolarHBondContact N-O 2.67Å; R530-M638 PolarHBondContact O-N 3.06Å; M638-I658 HydrophobicContact CE-CD1 4.44Å; M638-I658 HydrophobicContact CE-CG2 3.85Å; M638-I658 HydrophobicContact CG-CG2 4.21Å; M638-I659 CarbonylContact C-O 3.32Å; M638-I659 WeakPolarHBondContact CA-O 3.37Å; M638-Y660 HydrophobicContact CB-CD1 3.86Å; M638-Y660 HydrophobicContact CB-CE1 3.9Å; M638-Y660 HydrophobicContact CE-CE1 4.08Å; M638-Y660 HydrophobicContact CG-CD1 3.86Å; M638-Y660 HydrophobicContact CG-CE1 3.49Å; M638-Y660 VanDerWaalsContact CG-CE1 3.49Å; M638-Y660 HydrophobicContact SD-CE1 3.63Å; M638-L699 HydrophobicContact CE-CD1 4.09Å; M638-L702 HydrophobicContact CE-CB 4.36Å; M638-L703 HydrophobicContact CE-CD2 3.68Å; M638-L703 HydrophobicContact CE-CG 4.18Å; M638-L703 HydrophobicContact SD-CD2 3.67Å; M638-W706 HydrophobicContact CB-CD2 3.62Å; M638-W706 HydrophobicContact CB-CE3 4.05Å; M638-W706 HydrophobicContact CB-CG 4.02Å; M638-W706 HydrophobicContact CB-CH2 4.37Å; M638-W706 HydrophobicContact CB-CZ2 3.96Å; M638-W706 HydrophobicContact CB-CZ3 4.4Å; M638-W706 HydrophobicContact CG-CD2 4.39Å; M638-W706 HydrophobicContact CG-CG 4.5Å; M638-W706 HydrophobicContact SD-CB 3.65Å; M638-W706 HydrophobicContact SD-CD2 4.04Å; M638-W706 HydrophobicContact SD-CG 3.64Å
639	E	93.8	Very high	92.5	Very high	59 Å²	59	27.9 Å²	27.9	28%	0.276	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	154.1	172.4	-55.7	178.6	167.1	0	0	110.2	S528 C529 K637 I658 I659	S528-E639 CarbonylContact O-C 3.58Å; S528-E639 VanDerWaalsContact O-CA 3.3Å; S528-E639 WeakPolarHBondContact O-CA 3.25Å; C529-E639 HydrophobicContact CB-CG 4.46Å; K637-E639 HydrophobicContact CD-CG 4.06Å; K637-E639 WeakPolarHBondContact CD-OE1 3.49Å; K637-E639 WeakPolarHBondContact CE-OE1 3.42Å; K637-E639 HydrophobicContact CG-CG 4.19Å; K637-E639 IonicContact NZ-OE1 3.71Å; K637-E639 PolarHBondContact NZ-OE1 3.2Å; E639-I658 CarbonylContact O-C 3.38Å; E639-I658 WeakPolarHBondContact O-CA 3.43Å; E639-I659 HydrophobicContact CB-CB 4.26Å; E639-I659 PolarHBondContact N-O 2.97Å; E639-I659 PolarHBondContact O-N 3.5Å
640	Y	94.8	Very high	92.6	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	142.9	175.4	53	-85.7	0	0	0	112.6	V522 L525 Q527 S528 R657 L699 L703	V522-Y640 HydrophobicContact CB-CD2 4.43Å; V522-Y640 HydrophobicContact CG2-CD2 3.87Å; L525-Y640 HydrophobicContact CB-CE2 4.01Å; L525-Y640 HydrophobicContact CD1-CD2 4.41Å; L525-Y640 HydrophobicContact CD1-CE2 3.68Å; L525-Y640 HydrophobicContact CG-CE2 4.45Å; Q527-Y640 WeakPolarHBondContact O-CE2 3.46Å; Q527-Y640 PolarHBondContact O-OH 3.35Å; S528-Y640 PolarHBondContact O-N 3.26Å; Y640-R657 WeakPolarHBondContact CA-O 3.31Å; Y640-L699 HydrophobicContact CD2-CD1 4.48Å; Y640-L699 HydrophobicContact CD2-CD2 3.84Å; Y640-L699 HydrophobicContact CE2-CD2 4.25Å; Y640-L699 HydrophobicContact CG-CD1 4.21Å; Y640-L699 HydrophobicContact CG-CD2 4.37Å; Y640-L703 HydrophobicContact CD1-CD2 3.96Å; Y640-L703 HydrophobicContact CE1-CD1 4.12Å; Y640-L703 HydrophobicContact CE1-CD2 3.3Å; Y640-L703 HydrophobicContact CE1-CG 4.3Å; Y640-L703 HydrophobicContact CE2-CD1 4.38Å; Y640-L703 WeakPolarHBondContact OH-CD1 3.28Å
641	H	94.1	Very high	92.7	Very high	27 Å²	27	31.4 Å²	31.4	13%	0.125	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	163.1	178.9	55.2	-104.7	0	0	0	111.4	I519 K520 I643 R657 I659	I519-H641 HydrophobicContact CG2-CB 3.67Å; I519-H641 VanDerWaalsContact CG2-CD2 3.43Å; I519-H641 WeakPolarHBondContact CG2-CD2 3.41Å; I519-H641 VanDerWaalsContact CG2-CG 3.5Å; K520-H641 WeakPolarHBondContact O-CB 3.38Å; H641-I643 WeakPolarHBondContact NE2-CG2 3.48Å; H641-R657 PolarHBondContact CE1-NH2 3.46Å; H641-R657 PolarHBondContact N-O 3.25Å; H641-R657 VanDerWaalsContact N-O 3.16Å; H641-R657 PolarHBondContact NE2-NE 2.92Å; H641-R657 PolarHBondContact NE2-NH2 3.31Å; H641-R657 PolarHBondContact O-N 2.92Å; H641-I659 WeakPolarHBondContact CE1-CD1 3.2Å
642	V	94.7	Very high	92.8	Very high	6 Å²	6	37.1 Å²	37.1	4%	0.036	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	137.5	176.4	-173.6	0	0	0	0	110.3	I519 K520 V522 K654 T655 D691	I519-V642 WeakPolarHBondContact CA-O 3.49Å; K520-V642 HydrophobicContact CB-CB 4.46Å; K520-V642 PolarHBondContact N-O 3.16Å; K520-V642 VanDerWaalsContact N-O 3.08Å; K520-V642 PolarHBondContact O-N 3.34Å; V522-V642 HydrophobicContact CB-CG2 4.41Å; V522-V642 HydrophobicContact CG2-CG2 3.96Å; V642-K654 HydrophobicContact CG1-CB 3.57Å; V642-K654 HydrophobicContact CG1-CD 3.95Å; V642-K654 HydrophobicContact CG1-CG 4.38Å; V642-T655 CarbonylContact C-O 3.53Å; V642-T655 WeakPolarHBondContact CA-O 3.48Å; V642-D691 HydrophobicContact CG1-CB 4.43Å
643	I	93.9	Very high	92.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	150.4	170.9	61.1	171.1	0	0	0	110.5	P511 V514 H641 H645 T655 R657 F737	P511-I643 HydrophobicContact CB-CD1 3.72Å; P511-I643 HydrophobicContact CG-CD1 3.91Å; V514-I643 HydrophobicContact CG1-CB 4.47Å; V514-I643 HydrophobicContact CG1-CG2 4.36Å; V514-I643 HydrophobicContact CG2-CB 4.12Å; V514-I643 HydrophobicContact CG2-CG2 4.14Å; H641-I643 WeakPolarHBondContact NE2-CG2 3.48Å; I643-H645 PolarHBondContact O-N 3.25Å; I643-T655 HydrophobicContact CD1-CG2 4.39Å; I643-T655 HydrophobicContact CG1-CG2 4.35Å; I643-T655 WeakPolarHBondContact CG1-O 3.25Å; I643-T655 PolarHBondContact N-O 3.45Å; I643-T655 PolarHBondContact O-N 3.03Å; I643-R657 HydrophobicContact CD1-CB 4.45Å; I643-R657 HydrophobicContact CG2-CB 4.24Å; I643-F737 HydrophobicContact CD1-CE2 4.12Å
644	P	92.4	Very high	93	Very high	51 Å²	51	41.9 Å²	41.9	33%	0.331	25%	0.246	S	C	.	.	S	Bend	trans	-80.1	34.4	-168.9	38.7	-43.4	0	0	0	113.7	V514 D518	V514-P644 VanDerWaalsContact CG1-CD 3.46Å; V514-P644 HydrophobicContact CG1-CG 4.08Å; D518-P644 HydrophobicContact CB-CB 4.44Å; D518-P644 HydrophobicContact CB-CG 3.81Å
645	H	91.4	Very high	93.1	Very high	48 Å²	48	41.8 Å²	41.8	22%	0.222	25%	0.246	C	C	.	.			trans	-130.2	145.7	-176	-56.7	-40.8	0	0	0	110.3	I643 K654 T655 F737	I643-H645 PolarHBondContact O-N 3.25Å; H645-K654 CarbonylContact O-C 3.49Å; H645-K654 VanDerWaalsContact O-C 3.32Å; H645-K654 WeakPolarHBondContact O-CA 3.19Å; H645-T655 WeakPolarHBondContact O-CB 3.2Å; H645-T655 PolarHBondContact O-N 3.25Å; H645-T655 PolarHBondContact O-OG1 2.81Å; H645-F737 HydrophobicContact CB-CZ 3.75Å
646	S	93.3	Very high	93.3	Very high	55 Å²	55	39.4 Å²	39.4	39%	0.385	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-93	146.1	177.6	-60	0	0	0	0	110.9	H650 C653	S646-H650 WeakPolarHBondContact CB-O 3.34Å; S646-C653 WeakPolarHBondContact CA-O 3.47Å; S646-C653 WeakPolarHBondContact CB-O 3.39Å; S646-C653 PolarHBondContact OG-O 3.38Å
647	L	93.7	Very high	93.4	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.026	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-81.1	151.8	172.7	-73.6	165.8	0	0	0	110.9	G649 H650 T655 P690 F737 Y746	L647-G649 PolarHBondContact O-N 3.24Å; L647-H650 HydrophobicContact CB-CB 4.37Å; L647-H650 CarbonylContact O-C 3.47Å; L647-H650 PolarHBondContact O-N 2.92Å; L647-T655 HydrophobicContact CD1-CG2 3.98Å; L647-T655 HydrophobicContact CD2-CG2 4.21Å; L647-T655 HydrophobicContact CG-CG2 3.97Å; L647-P690 HydrophobicContact CD1-CB 4.45Å; L647-F737 HydrophobicContact CD2-CD2 3.56Å; L647-F737 HydrophobicContact CD2-CE2 3.58Å; L647-F737 HydrophobicContact CD2-CG 4.21Å; L647-F737 HydrophobicContact CD2-CZ 4.24Å; L647-F737 VanDerWaalsContact CD2-O 3.3Å; L647-F737 WeakPolarHBondContact CD2-O 3.37Å; L647-F737 HydrophobicContact CG-CE2 4.29Å; L647-Y746 HydrophobicContact CB-CD1 4.39Å; L647-Y746 HydrophobicContact CB-CG 4.3Å; L647-Y746 HydrophobicContact CD1-CD1 4.3Å; L647-Y746 HydrophobicContact CD1-CD2 3.97Å; L647-Y746 HydrophobicContact CD1-CE1 3.98Å; L647-Y746 HydrophobicContact CD1-CE2 3.6Å; L647-Y746 HydrophobicContact CD1-CG 4.29Å; L647-Y746 HydrophobicContact CD2-CD2 3.72Å; L647-Y746 HydrophobicContact CD2-CE2 4.08Å; L647-Y746 HydrophobicContact CD2-CG 4.18Å; L647-Y746 HydrophobicContact CG-CD2 4.31Å; L647-Y746 HydrophobicContact CG-CE2 4.4Å; L647-Y746 HydrophobicContact CG-CG 4.49Å
648	P	90.9	Very high	93.5	Very high	37 Å²	37	37.6 Å²	37.6	24%	0.24	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	126.4	166.4	-22.4	31.8	0	0	0	111	F737 P747	P648-F737 VanDerWaalsContact CD-O 3.28Å; P648-F737 WeakPolarHBondContact CD-O 3.25Å; P648-P747 HydrophobicContact CB-CB 4.25Å; P648-P747 HydrophobicContact CB-CG 4.45Å; P648-P747 WeakPolarHBondContact O-CA 3.39Å
649	G	90.7	Very high	93.5	Very high	59 Å²	59	38.2 Å²	38.2	61%	0.608	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.4	-11.4	-174.1	0	0	0	0	0	115.3	L647 P651	L647-G649 PolarHBondContact O-N 3.24Å; G649-P651 VanDerWaalsContact C-CD 3.5Å
650	H	91.4	Very high	93.7	Very high	37 Å²	37	35.4 Å²	35.4	17%	0.171	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-128.8	63.3	179.9	-63.3	-65.2	0	0	0	111.9	S646 L647 D652 P690	S646-H650 WeakPolarHBondContact CB-O 3.34Å; L647-H650 HydrophobicContact CB-CB 4.37Å; L647-H650 CarbonylContact O-C 3.47Å; L647-H650 PolarHBondContact O-N 2.92Å; H650-D652 PolarHBondContact O-N 3.15Å; H650-P690 HydrophobicContact CB-CB 3.94Å
651	P	91.1	Very high	93.7	Very high	111 Å²	111	39 Å²	39	72%	0.721	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-10.8	-174.3	34.4	-38.1	0	0	0	114.2	G649	G649-P651 VanDerWaalsContact C-CD 3.5Å
652	D	91.3	Very high	93.8	Very high	128 Å²	128	37.7 Å²	37.7	68%	0.684	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-24.1	-175.8	63.5	-45.4	0	0	0	113.3	H650	H650-D652 PolarHBondContact O-N 3.15Å
653	C	92	Very high	93.8	Very high	17 Å²	17	40.9 Å²	40.9	12%	0.115	24%	0.242	C	C	.	.	S	Bend	trans	-129.7	172.6	-172.9	59.2	0	0	0	0	112.7	S646	S646-C653 WeakPolarHBondContact CA-O 3.47Å; S646-C653 WeakPolarHBondContact CB-O 3.39Å; S646-C653 PolarHBondContact OG-O 3.38Å
654	K	94.8	Very high	93.7	Very high	100 Å²	100	45.2 Å²	45.2	44%	0.435	27%	0.27	S	S	.	.			trans	-87.8	-171.4	178	-71.2	175.9	-175.9	171.7	0	110.5	V642 H645 P690 D691	V642-K654 HydrophobicContact CG1-CB 3.57Å; V642-K654 HydrophobicContact CG1-CD 3.95Å; V642-K654 HydrophobicContact CG1-CG 4.38Å; H645-K654 CarbonylContact O-C 3.49Å; H645-K654 VanDerWaalsContact O-C 3.32Å; H645-K654 WeakPolarHBondContact O-CA 3.19Å; K654-P690 CarbonylContact O-C 3.5Å; K654-D691 HydrophobicContact CB-CB 4.03Å; K654-D691 PolarHBondContact O-N 3.05Å
655	T	95.8	Very high	93.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128.2	176.7	-53.1	0	0	0	0	110.7	V642 I643 H645 L647 Y688 L689 F737	V642-T655 CarbonylContact C-O 3.53Å; V642-T655 WeakPolarHBondContact CA-O 3.48Å; I643-T655 HydrophobicContact CD1-CG2 4.39Å; I643-T655 HydrophobicContact CG1-CG2 4.35Å; I643-T655 WeakPolarHBondContact CG1-O 3.25Å; I643-T655 PolarHBondContact N-O 3.45Å; I643-T655 PolarHBondContact O-N 3.03Å; H645-T655 WeakPolarHBondContact O-CB 3.2Å; H645-T655 PolarHBondContact O-N 3.25Å; H645-T655 PolarHBondContact O-OG1 2.81Å; L647-T655 HydrophobicContact CD1-CG2 3.98Å; L647-T655 HydrophobicContact CD2-CG2 4.21Å; L647-T655 HydrophobicContact CG-CG2 3.97Å; T655-Y688 HydrophobicContact CG2-CD1 3.99Å; T655-Y688 HydrophobicContact CG2-CG 4.33Å; T655-L689 CarbonylContact C-O 2.95Å; T655-L689 WeakPolarHBondContact CA-O 3.16Å; T655-L689 WeakPolarHBondContact CG2-O 3.35Å; T655-F737 HydrophobicContact CG2-CD2 4.46Å; T655-F737 HydrophobicContact CG2-CE2 3.97Å
656	I	96.4	Very high	93.8	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	114.6	160.9	-59.3	171	0	0	0	107.1	V522 I658 Y688 L689 D691 R696 L699	V522-I656 HydrophobicContact CG1-CD1 4.14Å; V522-I656 HydrophobicContact CG1-CG1 4.44Å; V522-I656 HydrophobicContact CG2-CG1 4.36Å; V522-I656 HydrophobicContact CG2-CG2 4.13Å; I656-I658 HydrophobicContact CG2-CG1 4.23Å; I656-Y688 WeakPolarHBondContact O-CA 3.45Å; I656-L689 HydrophobicContact CB-CB 4.32Å; I656-L689 PolarHBondContact N-O 2.62Å; I656-L689 PolarHBondContact O-N 2.98Å; I656-D691 HydrophobicContact CG1-CB 4.04Å; I656-R696 HydrophobicContact CD1-CG 3.85Å; I656-L699 HydrophobicContact CD1-CD2 4.3Å; I656-L699 HydrophobicContact CG2-CD1 4.44Å; I656-L699 HydrophobicContact CG2-CD2 3.99Å
657	R	95.4	Very high	93.8	Very high	46 Å²	46	44.8 Å²	44.8	17%	0.174	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	117.6	169.8	-174.8	173.1	76	-176.8	3.5	109.1	Y640 H641 I643 I659 C687 Y688	Y640-R657 WeakPolarHBondContact CA-O 3.31Å; H641-R657 PolarHBondContact CE1-NH2 3.46Å; H641-R657 PolarHBondContact N-O 3.25Å; H641-R657 VanDerWaalsContact N-O 3.16Å; H641-R657 PolarHBondContact NE2-NE 2.92Å; H641-R657 PolarHBondContact NE2-NH2 3.31Å; H641-R657 PolarHBondContact O-N 2.92Å; I643-R657 HydrophobicContact CD1-CB 4.45Å; I643-R657 HydrophobicContact CG2-CB 4.24Å; R657-I659 HydrophobicContact CG-CG1 4.3Å; R657-C687 WeakPolarHBondContact CA-O 3.22Å; R657-Y688 HydrophobicContact CB-CD1 4.34Å; R657-Y688 HydrophobicContact CB-CE1 4.43Å; R657-Y688 HydrophobicContact CG-CD1 4.13Å; R657-Y688 HydrophobicContact CG-CE1 3.81Å
658	I	96.8	Very high	93.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	143.5	169.8	-54.1	175.2	0	0	0	108.1	M638 E639 I656 Y660 H686 C687 L689 L699 L702	M638-I658 HydrophobicContact CE-CD1 4.44Å; M638-I658 HydrophobicContact CE-CG2 3.85Å; M638-I658 HydrophobicContact CG-CG2 4.21Å; E639-I658 CarbonylContact O-C 3.38Å; E639-I658 WeakPolarHBondContact O-CA 3.43Å; I656-I658 HydrophobicContact CG2-CG1 4.23Å; I658-Y660 HydrophobicContact CG2-CD2 4.13Å; I658-Y660 HydrophobicContact CG2-CE1 4.18Å; I658-Y660 HydrophobicContact CG2-CE2 3.62Å; I658-H686 WeakPolarHBondContact O-CA 3.41Å; I658-C687 HydrophobicContact CB-CB 4.31Å; I658-C687 PolarHBondContact N-O 3.07Å; I658-C687 PolarHBondContact O-N 2.71Å; I658-L689 HydrophobicContact CD1-CD1 3.98Å; I658-L689 HydrophobicContact CD1-CG 4.5Å; I658-L699 HydrophobicContact CD1-CD1 3.72Å; I658-L699 HydrophobicContact CG1-CD1 3.98Å; I658-L702 HydrophobicContact CD1-CD1 3.8Å
659	I	95.5	Very high	93.1	Very high	14 Å²	14	48.8 Å²	48.8	7%	0.072	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	112	176.8	-45.1	179.9	0	0	0	108.7	M638 E639 H641 R657 P684 R685	M638-I659 CarbonylContact C-O 3.32Å; M638-I659 WeakPolarHBondContact CA-O 3.37Å; E639-I659 HydrophobicContact CB-CB 4.26Å; E639-I659 PolarHBondContact N-O 2.97Å; E639-I659 PolarHBondContact O-N 3.5Å; H641-I659 WeakPolarHBondContact CE1-CD1 3.2Å; R657-I659 HydrophobicContact CG-CG1 4.3Å; I659-P684 HydrophobicContact CG2-CB 3.78Å; I659-R685 WeakPolarHBondContact CA-O 3.19Å
660	Y	97.2	Very high	92.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	139.1	170.9	-62.3	-72	0	0	0	110.2	M638 I658 F683 P684 R685 W706 I711 F712 W728 H733	M638-Y660 HydrophobicContact CB-CD1 3.86Å; M638-Y660 HydrophobicContact CB-CE1 3.9Å; M638-Y660 HydrophobicContact CE-CE1 4.08Å; M638-Y660 HydrophobicContact CG-CD1 3.86Å; M638-Y660 HydrophobicContact CG-CE1 3.49Å; M638-Y660 VanDerWaalsContact CG-CE1 3.49Å; M638-Y660 HydrophobicContact SD-CE1 3.63Å; I658-Y660 HydrophobicContact CG2-CD2 4.13Å; I658-Y660 HydrophobicContact CG2-CE1 4.18Å; I658-Y660 HydrophobicContact CG2-CE2 3.62Å; Y660-F683 WeakPolarHBondContact O-CD1 3.38Å; Y660-P684 CarbonylContact O-C 3.59Å; Y660-P684 WeakPolarHBondContact O-CA 3.48Å; Y660-R685 PolarHBondContact N-O 3.41Å; Y660-R685 PolarHBondContact O-N 3.04Å; Y660-W706 HydrophobicContact CD1-CD2 4.47Å; Y660-W706 AromaticContact CD1-CE3 3.56Å; Y660-W706 HydrophobicContact CD1-CE3 3.56Å; Y660-W706 HydrophobicContact CD1-CH2 4.26Å; Y660-W706 AromaticContact CD1-CZ3 3.43Å; Y660-W706 HydrophobicContact CD1-CZ3 3.43Å; Y660-W706 VanDerWaalsContact CD1-CZ3 3.43Å; Y660-W706 HydrophobicContact CE1-CD2 4.26Å; Y660-W706 AromaticContact CE1-CE3 3.49Å; Y660-W706 HydrophobicContact CE1-CE3 3.49Å; Y660-W706 VanDerWaalsContact CE1-CE3 3.49Å; Y660-W706 AromaticContact CE1-CZ3 3.89Å; Y660-W706 HydrophobicContact CE1-CZ3 3.89Å; Y660-W706 HydrophobicContact CG-CZ3 4.45Å; Y660-I711 HydrophobicContact CE1-CG1 4.42Å; Y660-I711 HydrophobicContact CE1-CG2 4.21Å; Y660-I711 HydrophobicContact CE2-CG2 4.24Å; Y660-F712 AromaticContact CD1-CE2 3.75Å; Y660-F712 HydrophobicContact CD1-CE2 3.75Å; Y660-F712 HydrophobicContact CD1-CZ 4.32Å; Y660-F712 HydrophobicContact CD2-CE2 4.03Å; Y660-F712 AromaticContact CD2-CZ 3.78Å; Y660-F712 HydrophobicContact CD2-CZ 3.78Å; Y660-F712 HydrophobicContact CE1-CE2 4.3Å; Y660-F712 HydrophobicContact CE2-CZ 4.47Å; Y660-F712 AromaticContact CG-CE2 3.58Å; Y660-F712 HydrophobicContact CG-CE2 3.58Å; Y660-F712 AromaticContact CG-CZ 3.68Å; Y660-F712 HydrophobicContact CG-CZ 3.68Å; Y660-W728 HydrophobicContact CD2-CH2 4.04Å; Y660-W728 HydrophobicContact CD2-CZ3 4.32Å; Y660-W728 HydrophobicContact CE2-CH2 4.25Å; Y660-W728 HydrophobicContact CE2-CZ3 4.26Å; Y660-H733 AromaticContact CE2-CD2 3.67Å; Y660-H733 AromaticContact CE2-NE2 3.61Å; Y660-H733 AromaticContact CZ-NE2 3.73Å; Y660-H733 PolarHBondContact OH-NE2 3.19Å; Y660-H733 VanDerWaalsContact OH-NE2 3.08Å
661	N	95.4	Very high	92.6	Very high	76 Å²	76	47.8 Å²	47.8	41%	0.406	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	110.8	172.5	-171.5	3.2	0	0	0	109.8	G636 K637 P684	G636-N661 WeakPolarHBondContact CA-O 3.43Å; K637-N661 PolarHBondContact N-O 2.89Å; K637-N661 PolarHBondContact O-N 2.92Å; N661-P684 HydrophobicContact CB-CB 4.39Å
662	I	95.4	Very high	92.4	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	27%	0.265	C	S	.	.			trans	-120.2	118.5	176.4	-63.7	177.3	0	0	0	107.1	Q633 P634 A680 F683 W706 F712 V726	Q633-I662 HydrophobicContact CG-CD1 4.13Å; P634-I662 HydrophobicContact CB-CG2 3.94Å; P634-I662 HydrophobicContact CG-CG2 4.41Å; I662-A680 VanDerWaalsContact O-CB 3.26Å; I662-A680 WeakPolarHBondContact O-CB 3.25Å; I662-F683 HydrophobicContact CB-CD1 4.33Å; I662-F683 HydrophobicContact CB-CE1 4.04Å; I662-F683 HydrophobicContact CB-CE2 4.28Å; I662-F683 HydrophobicContact CB-CZ 4.01Å; I662-F683 HydrophobicContact CD1-CE1 4.28Å; I662-F683 HydrophobicContact CD1-CZ 4.15Å; I662-F683 HydrophobicContact CG1-CE1 4.09Å; I662-F683 HydrophobicContact CG1-CZ 4.28Å; I662-W706 HydrophobicContact CD1-CH2 4.29Å; I662-W706 HydrophobicContact CD1-CZ3 4.26Å; I662-W706 HydrophobicContact CG1-CH2 4.15Å; I662-F712 HydrophobicContact CD1-CB 4.07Å; I662-F712 HydrophobicContact CD1-CD2 3.43Å; I662-F712 VanDerWaalsContact CD1-CD2 3.43Å; I662-F712 HydrophobicContact CD1-CE2 3.99Å; I662-F712 HydrophobicContact CD1-CG 3.79Å; I662-V726 HydrophobicContact CD1-CG1 4.03Å; I662-V726 HydrophobicContact CG2-CG1 4.31Å; I662-V726 HydrophobicContact CG2-CG2 4.01Å
663	P	93.8	Very high	92.3	Very high	73 Å²	73	42.9 Å²	42.9	47%	0.474	25%	0.247	S	C	.	.			trans	-74.2	158.5	174.2	32.3	-35	0	0	0	111.3	F678	P663-F678 WeakPolarHBondContact O-CE2 3.43Å
664	P	92.6	Very high	92.3	Very high	91 Å²	91	45.9 Å²	45.9	59%	0.591	27%	0.266	S	S	*	.			trans	-62.3	158	165.1	30.5	-35.8	0	0	0	110.6	F678 A680	P664-F678 WeakPolarHBondContact CB-O 3.33Å; P664-A680 HydrophobicContact CB-CB 4.43Å
665	G	93.3	Very high	92.1	Very high	29 Å²	29	43.7 Å²	43.7	30%	0.299	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	-161.5	-175.1	0	0	0	0	0	113.5	P677 F678	G665-P677 CarbonylContact O-C 3.6Å; G665-P677 VanDerWaalsContact O-CA 3.27Å; G665-P677 WeakPolarHBondContact O-CA 3.39Å; G665-F678 VanDerWaalsContact C-CE1 3.44Å; G665-F678 PolarHBondContact N-O 3.48Å; G665-F678 WeakPolarHBondContact O-CD1 3.48Å; G665-F678 PolarHBondContact O-N 3.12Å
666	I	93.1	Very high	92	Very high	108 Å²	108	48.7 Å²	48.7	55%	0.554	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.4	176.6	-55.3	-56.9	0	0	0	109.7	G675 P677	I666-G675 WeakPolarHBondContact CG2-O 3.42Å; I666-P677 HydrophobicContact CD1-CB 4.16Å
667	Q	92.5	Very high	91.9	Very high	7 Å²	7	53 Å²	53	3%	0.033	32%	0.321	C	S	.	.			trans	-65.7	133.3	-178.2	-73.8	-173	58.6	0	0	112	H671 N673 G675 K676 P677 F678 V714 D724	Q667-H671 VanDerWaalsContact CA-ND1 3.33Å; Q667-H671 WeakPolarHBondContact CA-ND1 3.15Å; Q667-H671 HydrophobicContact CB-CB 3.75Å; Q667-H671 HydrophobicContact CG-CB 3.96Å; Q667-N673 WeakPolarHBondContact CB-O 3.22Å; Q667-N673 PolarHBondContact OE1-O 3.33Å; Q667-G675 PolarHBondContact O-N 2.92Å; Q667-K676 VanDerWaalsContact CB-O 3.29Å; Q667-K676 WeakPolarHBondContact CB-O 3.37Å; Q667-K676 WeakPolarHBondContact CG-O 3.5Å; Q667-K676 PolarHBondContact N-O 3.33Å; Q667-P677 PolarHBondContact NE2-O 3.37Å; Q667-F678 HydrophobicContact CG-CB 3.97Å; Q667-F678 HydrophobicContact CG-CD1 3.89Å; Q667-F678 HydrophobicContact CG-CG 4.41Å; Q667-V714 HydrophobicContact CG-CG1 4.25Å; Q667-D724 PolarHBondContact NE2-OD1 3.42Å
668	G	86.2	Confident	91.9	Very high	7 Å²	7	51.2 Å²	51.2	7%	0.072	32%	0.315	C	S	.	.			trans	-82	174.9	175.4	0	0	0	0	0	113	E670 H671 P674	G668-E670 WeakPolarHBondContact CA-OE2 3.43Å; G668-E670 PolarHBondContact O-N 2.99Å; G668-E670 VanDerWaalsContact O-N 3.16Å; G668-H671 PolarHBondContact N-ND1 3.34Å; G668-H671 PolarHBondContact O-N 2.92Å; G668-H671 VanDerWaalsContact O-N 3.13Å; G668-P674 WeakPolarHBondContact O-CA 3.41Å; G668-P674 WeakPolarHBondContact O-CB 3.17Å
669	P	85.4	Confident	91.8	Very high	120 Å²	120	53.2 Å²	53.2	78%	0.779	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-14.3	172.2	28.6	-36.8	0	0	0	113.8
670	E	81.6	Confident	91.7	Very high	59 Å²	59	53.6 Å²	53.6	28%	0.276	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	6.8	175	73.1	-91.3	-136.9	0	0	114.8	N632 G668 R709	N632-E670 HydrophobicContact CB-CB 4.23Å; N632-E670 HydrophobicContact CB-CG 3.69Å; N632-E670 WeakPolarHBondContact CB-O 3.32Å; N632-E670 PolarHBondContact ND2-O 2.81Å; G668-E670 WeakPolarHBondContact CA-OE2 3.43Å; G668-E670 PolarHBondContact O-N 2.99Å; G668-E670 VanDerWaalsContact O-N 3.16Å; E670-R709 IonicContact OE1-CZ 2.85Å; E670-R709 IonicContact OE1-NH1 2.67Å; E670-R709 PolarHBondContact OE1-NH1 3.29Å; E670-R709 IonicContact OE1-NH2 3.18Å; E670-R709 PolarHBondContact OE1-NH2 2.94Å
671	H	88.4	Confident	91.2	Very high	16 Å²	16	60.4 Å²	60.4	7%	0.074	36%	0.358	C	S	.	.	S	Bend	trans	-110.5	160.9	-178.6	-67.5	157.1	0	0	0	112	N632 Q667 G668 N673 P674 F678	N632-H671 CovalentContact O-NE2 1.78Å; N632-H671 PolarHBondContact O-NE2 3.45Å; Q667-H671 VanDerWaalsContact CA-ND1 3.33Å; Q667-H671 WeakPolarHBondContact CA-ND1 3.15Å; Q667-H671 HydrophobicContact CB-CB 3.75Å; Q667-H671 HydrophobicContact CG-CB 3.96Å; G668-H671 PolarHBondContact N-ND1 3.34Å; G668-H671 PolarHBondContact O-N 2.92Å; G668-H671 VanDerWaalsContact O-N 3.13Å; H671-N673 VanDerWaalsContact C-N 3.31Å; H671-N673 PolarHBondContact O-N 3.19Å; H671-P674 WeakPolarHBondContact O-CD 3.33Å; H671-F678 AromaticContact CE1-CE1 3.87Å
672	P	87.9	Confident	90.7	Very high	81 Å²	81	59.8 Å²	59.8	53%	0.526	37%	0.369	S	S	.	.	S	Bend	trans	-60.3	-32.9	-174.2	-26	35.9	0	0	0	115.2	V714	P672-V714 WeakPolarHBondContact CD-O 3.49Å; P672-V714 WeakPolarHBondContact CG-O 3.43Å
673	N	89.6	Confident	90.5	Very high	54 Å²	54	61.5 Å²	61.5	29%	0.289	38%	0.377	S	S	.	.	S	Bend	trans	-128.6	77.3	178.3	-70.1	-83.3	0	0	0	111	Q667 H671 G675 K676 D724	Q667-N673 WeakPolarHBondContact CB-O 3.22Å; Q667-N673 PolarHBondContact OE1-O 3.33Å; H671-N673 VanDerWaalsContact C-N 3.31Å; H671-N673 PolarHBondContact O-N 3.19Å; N673-G675 PolarHBondContact O-N 3.04Å; N673-K676 HydrophobicContact CB-CB 3.99Å; N673-K676 HydrophobicContact CB-CD 3.58Å; N673-K676 HydrophobicContact CB-CG 3.86Å; N673-K676 WeakPolarHBondContact O-CB 3.44Å; N673-K676 PolarHBondContact O-N 3.07Å; N673-K676 VanDerWaalsContact O-N 3.07Å; N673-K676 WeakPolarHBondContact OD1-CE 3.47Å; N673-K676 PolarHBondContact OD1-NZ 3.39Å; N673-D724 PolarHBondContact ND2-OD1 3.42Å
674	P	91.1	Very high	90.5	Very high	81 Å²	81	61.1 Å²	61.1	53%	0.526	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	132.6	-177.5	-27.2	36.5	0	0	0	112.7	G668 H671 K676	G668-P674 WeakPolarHBondContact O-CA 3.41Å; G668-P674 WeakPolarHBondContact O-CB 3.17Å; H671-P674 WeakPolarHBondContact O-CD 3.33Å; P674-K676 VanDerWaalsContact C-N 3.32Å; P674-K676 PolarHBondContact O-N 2.88Å
675	G	90.3	Very high	90.5	Very high	53 Å²	53	58.4 Å²	58.4	55%	0.546	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-14.1	-178.3	0	0	0	0	0	116.1	I666 Q667 N673	I666-G675 WeakPolarHBondContact CG2-O 3.42Å; Q667-G675 PolarHBondContact O-N 2.92Å; N673-G675 PolarHBondContact O-N 3.04Å
676	K	94	Very high	90.5	Very high	106 Å²	106	59.9 Å²	59.9	46%	0.461	35%	0.351	S	S	.	.	S	Bend	trans	-72.7	156.9	168.2	-71.8	-166.5	-167.6	158.1	0	111.1	Q667 N673 P674	Q667-K676 VanDerWaalsContact CB-O 3.29Å; Q667-K676 WeakPolarHBondContact CB-O 3.37Å; Q667-K676 WeakPolarHBondContact CG-O 3.5Å; Q667-K676 PolarHBondContact N-O 3.33Å; N673-K676 HydrophobicContact CB-CB 3.99Å; N673-K676 HydrophobicContact CB-CD 3.58Å; N673-K676 HydrophobicContact CB-CG 3.86Å; N673-K676 WeakPolarHBondContact O-CB 3.44Å; N673-K676 PolarHBondContact O-N 3.07Å; N673-K676 VanDerWaalsContact O-N 3.07Å; N673-K676 WeakPolarHBondContact OD1-CE 3.47Å; N673-K676 PolarHBondContact OD1-NZ 3.39Å; P674-K676 VanDerWaalsContact C-N 3.32Å; P674-K676 PolarHBondContact O-N 2.88Å
677	P	93.9	Very high	90.7	Very high	89 Å²	89	54.9 Å²	54.9	58%	0.578	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.8	162.6	165	28.8	-35.4	0	0	0	111.9	G665 I666 Q667	G665-P677 CarbonylContact O-C 3.6Å; G665-P677 VanDerWaalsContact O-CA 3.27Å; G665-P677 WeakPolarHBondContact O-CA 3.39Å; I666-P677 HydrophobicContact CD1-CB 4.16Å; Q667-P677 PolarHBondContact NE2-O 3.37Å
678	F	96.2	Very high	90.9	Very high	10 Å²	10	54.8 Å²	54.8	4%	0.044	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144.8	162.2	67.4	-98.8	0	0	0	110.8	P634 P663 P664 G665 Q667 H671 V714 D724 V726	P634-F678 HydrophobicContact CB-CE1 4.24Å; P634-F678 HydrophobicContact CB-CE2 3.99Å; P634-F678 HydrophobicContact CB-CZ 3.53Å; P634-F678 HydrophobicContact CG-CD2 4.5Å; P634-F678 HydrophobicContact CG-CE1 4.23Å; P634-F678 HydrophobicContact CG-CE2 3.86Å; P634-F678 HydrophobicContact CG-CZ 3.72Å; P663-F678 WeakPolarHBondContact O-CE2 3.43Å; P664-F678 WeakPolarHBondContact CB-O 3.33Å; G665-F678 VanDerWaalsContact C-CE1 3.44Å; G665-F678 PolarHBondContact N-O 3.48Å; G665-F678 WeakPolarHBondContact O-CD1 3.48Å; G665-F678 PolarHBondContact O-N 3.12Å; Q667-F678 HydrophobicContact CG-CB 3.97Å; Q667-F678 HydrophobicContact CG-CD1 3.89Å; Q667-F678 HydrophobicContact CG-CG 4.41Å; H671-F678 AromaticContact CE1-CE1 3.87Å; F678-V714 HydrophobicContact CB-CG1 3.93Å; F678-V714 HydrophobicContact CD1-CG2 4.43Å; F678-V714 HydrophobicContact CD2-CG2 4.49Å; F678-V714 HydrophobicContact CG-CG1 4.49Å; F678-V714 HydrophobicContact CG-CG2 4.25Å; F678-D724 CarbonylContact C-O 3.47Å; F678-D724 WeakPolarHBondContact CA-O 3.43Å; F678-D724 VanDerWaalsContact CB-O 3.23Å; F678-D724 WeakPolarHBondContact CB-O 3.21Å; F678-V726 HydrophobicContact CD2-CG2 3.63Å; F678-V726 HydrophobicContact CE2-CG2 3.68Å
679	T	94.1	Very high	91.4	Very high	43 Å²	43	54.7 Å²	54.7	26%	0.264	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-91.6	157.1	176.9	72.8	0	0	0	0	111.3	E722 D724 T725 V726	T679-E722 WeakPolarHBondContact CB-OE1 3.32Å; T679-E722 WeakPolarHBondContact CG2-OE1 3.47Å; T679-E722 PolarHBondContact OG1-OE1 3.43Å; T679-D724 PolarHBondContact N-O 3.25Å; T679-T725 CarbonylContact O-C 3.33Å; T679-T725 VanDerWaalsContact O-CA 3.32Å; T679-T725 WeakPolarHBondContact O-CA 3.41Å; T679-T725 PolarHBondContact O-OG1 3.25Å; T679-T725 VanDerWaalsContact O-OG1 3.1Å; T679-T725 VanDerWaalsContact OG1-CB 3.29Å; T679-T725 WeakPolarHBondContact OG1-CB 3.42Å; T679-T725 PolarHBondContact OG1-OG1 3.26Å; T679-V726 PolarHBondContact O-N 3.21Å
680	A	93.3	Very high	91.9	Very high	22 Å²	22	49 Å²	49	18%	0.182	29%	0.286	C	S	.	.			trans	-132	90.4	178.8	0	0	0	0	0	110.3	I662 P664 F683 V726	I662-A680 VanDerWaalsContact O-CB 3.26Å; I662-A680 WeakPolarHBondContact O-CB 3.25Å; P664-A680 HydrophobicContact CB-CB 4.43Å; A680-F683 HydrophobicContact CB-CD2 3.91Å; A680-F683 HydrophobicContact CB-CE2 4.25Å; A680-V726 HydrophobicContact CB-CB 4.34Å; A680-V726 HydrophobicContact CB-CG2 3.95Å
681	R	87.6	Confident	92.6	Very high	142 Å²	142	47.3 Å²	47.3	54%	0.536	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	143.5	-175.6	-56.5	-60.1	-178.1	-177.5	-4.2	112.8	F683 R685 E722	R681-F683 VanDerWaalsContact C-N 3.32Å; R681-F683 WeakPolarHBondContact O-CD2 3.48Å; R681-F683 PolarHBondContact O-N 2.71Å; R681-R685 PolarHBondContact O-NE 3.14Å; R681-R685 PolarHBondContact O-NH2 3.38Å; R681-E722 VanDerWaalsContact CG-OE2 3.25Å; R681-E722 WeakPolarHBondContact CG-OE2 3.31Å; R681-E722 IonicContact CZ-OE1 3.34Å; R681-E722 VanDerWaalsContact CZ-OE1 3.26Å; R681-E722 IonicContact CZ-OE2 3.52Å; R681-E722 VanDerWaalsContact NE-CD 3.33Å; R681-E722 IonicContact NE-OE1 2.73Å; R681-E722 PolarHBondContact NE-OE1 2.99Å; R681-E722 IonicContact NE-OE2 2.68Å; R681-E722 PolarHBondContact NE-OE2 3.15Å; R681-E722 IonicContact NH2-OE1 2.71Å; R681-E722 PolarHBondContact NH2-OE1 3.01Å; R681-E722 IonicContact NH2-OE2 3.15Å
682	G	84.3	Confident	92.9	Very high	63 Å²	63	47.8 Å²	47.8	65%	0.649	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	18.9	171.2	0	0	0	0	0	115.7	P684 R685	G682-P684 CarbonylContact O-C 3.55Å; G682-R685 WeakPolarHBondContact O-CG 3.49Å
683	F	90.8	Very high	93.1	Very high	37 Å²	37	51.2 Å²	51.2	16%	0.162	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-89.5	143.1	173.3	-71.8	-82.3	0	0	0	111.3	Y660 I662 A680 R681 R685 F712 V726	Y660-F683 WeakPolarHBondContact O-CD1 3.38Å; I662-F683 HydrophobicContact CB-CD1 4.33Å; I662-F683 HydrophobicContact CB-CE1 4.04Å; I662-F683 HydrophobicContact CB-CE2 4.28Å; I662-F683 HydrophobicContact CB-CZ 4.01Å; I662-F683 HydrophobicContact CD1-CE1 4.28Å; I662-F683 HydrophobicContact CD1-CZ 4.15Å; I662-F683 HydrophobicContact CG1-CE1 4.09Å; I662-F683 HydrophobicContact CG1-CZ 4.28Å; A680-F683 HydrophobicContact CB-CD2 3.91Å; A680-F683 HydrophobicContact CB-CE2 4.25Å; R681-F683 VanDerWaalsContact C-N 3.32Å; R681-F683 WeakPolarHBondContact O-CD2 3.48Å; R681-F683 PolarHBondContact O-N 2.71Å; F683-R685 HydrophobicContact CD1-CB 4.25Å; F683-R685 HydrophobicContact CD1-CG 3.85Å; F683-R685 HydrophobicContact CE1-CB 4.27Å; F683-R685 HydrophobicContact CE1-CG 3.87Å; F683-R685 HydrophobicContact CG-CG 4.29Å; F683-R685 HydrophobicContact CZ-CG 4.32Å; F683-F712 AromaticContact CE1-CE1 3.97Å; F683-F712 HydrophobicContact CE1-CE1 3.97Å; F683-F712 HydrophobicContact CE1-CE2 4.39Å; F683-F712 AromaticContact CE1-CZ 3.86Å; F683-F712 HydrophobicContact CE1-CZ 3.86Å; F683-F712 AromaticContact CZ-CD1 3.98Å; F683-F712 HydrophobicContact CZ-CD1 3.98Å; F683-F712 AromaticContact CZ-CE1 3.72Å; F683-F712 HydrophobicContact CZ-CE1 3.72Å; F683-F712 HydrophobicContact CZ-CZ 4.07Å; F683-V726 HydrophobicContact CE2-CB 3.92Å; F683-V726 HydrophobicContact CE2-CG1 3.65Å; F683-V726 HydrophobicContact CZ-CB 4.42Å; F683-V726 HydrophobicContact CZ-CG1 3.64Å
684	P	93.6	Very high	93.3	Very high	65 Å²	65	52 Å²	52	42%	0.422	29%	0.294	S	S	.	.	S	Bend	cis	-71.5	133	0.6	29.8	-35.1	0	0	0	113.3	I659 Y660 N661 G682	I659-P684 HydrophobicContact CG2-CB 3.78Å; Y660-P684 CarbonylContact O-C 3.59Å; Y660-P684 WeakPolarHBondContact O-CA 3.48Å; N661-P684 HydrophobicContact CB-CB 4.39Å; G682-P684 CarbonylContact O-C 3.55Å
685	R	94	Very high	93.5	Very high	35 Å²	35	48.2 Å²	48.2	13%	0.132	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	120	176.8	-69.3	-176.2	-171.1	175.3	12	108.9	I659 Y660 R681 G682 F683 V726 W728	I659-R685 WeakPolarHBondContact CA-O 3.19Å; Y660-R685 PolarHBondContact N-O 3.41Å; Y660-R685 PolarHBondContact O-N 3.04Å; R681-R685 PolarHBondContact O-NE 3.14Å; R681-R685 PolarHBondContact O-NH2 3.38Å; G682-R685 WeakPolarHBondContact O-CG 3.49Å; F683-R685 HydrophobicContact CD1-CB 4.25Å; F683-R685 HydrophobicContact CD1-CG 3.85Å; F683-R685 HydrophobicContact CE1-CB 4.27Å; F683-R685 HydrophobicContact CE1-CG 3.87Å; F683-R685 HydrophobicContact CG-CG 4.29Å; F683-R685 HydrophobicContact CZ-CG 4.32Å; R685-V726 PolarHBondContact NH2-O 2.81Å; R685-W728 HydrophobicContact CB-CZ2 4.29Å
686	H	93.4	Very high	93.7	Very high	59 Å²	59	48.6 Å²	48.6	27%	0.273	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	137.5	176.2	-67.4	-82.2	0	0	0	110.7	I658	I658-H686 WeakPolarHBondContact O-CA 3.41Å
687	C	96.1	Very high	93.7	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.02	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	157.9	177	-48.9	0	0	0	0	111.1	R657 I658 H733 K734	R657-C687 WeakPolarHBondContact CA-O 3.22Å; I658-C687 HydrophobicContact CB-CB 4.31Å; I658-C687 PolarHBondContact N-O 3.07Å; I658-C687 PolarHBondContact O-N 2.71Å; C687-H733 HydrophobicContact CB-CB 4.21Å; C687-K734 CarbonylContact C-O 3.09Å; C687-K734 WeakPolarHBondContact CA-O 3.41Å
688	Y	96.4	Very high	93.8	Very high	5 Å²	5	41.9 Å²	41.9	2%	0.02	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.9	-171.1	-48.3	-72.3	0	0	0	112.8	P511 T655 I656 R657 K734 T735 F737 Y746	P511-Y688 VanDerWaalsContact CD-OH 3.26Å; P511-Y688 WeakPolarHBondContact CD-OH 3.47Å; P511-Y688 HydrophobicContact CG-CE1 4.05Å; T655-Y688 HydrophobicContact CG2-CD1 3.99Å; T655-Y688 HydrophobicContact CG2-CG 4.33Å; I656-Y688 WeakPolarHBondContact O-CA 3.45Å; R657-Y688 HydrophobicContact CB-CD1 4.34Å; R657-Y688 HydrophobicContact CB-CE1 4.43Å; R657-Y688 HydrophobicContact CG-CD1 4.13Å; R657-Y688 HydrophobicContact CG-CE1 3.81Å; Y688-K734 PolarHBondContact N-O 3.12Å; Y688-T735 WeakPolarHBondContact CE2-O 3.28Å; Y688-F737 AromaticContact CD1-CD2 3.79Å; Y688-F737 HydrophobicContact CD1-CD2 3.79Å; Y688-F737 HydrophobicContact CD2-CB 4.01Å; Y688-F737 HydrophobicContact CD2-CD2 4.27Å; Y688-F737 HydrophobicContact CE1-CD2 4.01Å; Y688-F737 HydrophobicContact CE2-CB 3.74Å; Y688-F737 HydrophobicContact CE2-CD2 4.48Å; Y688-F737 AromaticContact CG-CD2 3.93Å; Y688-F737 HydrophobicContact CG-CD2 3.93Å; Y688-Y746 WeakPolarHBondContact O-CE2 3.33Å; Y688-Y746 PolarHBondContact O-OH 2.74Å
689	L	97.1	Very high	93.7	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.7	168.2	-62.6	172.7	0	0	0	108.9	T655 I656 I658 V698 L699 L702 L752	T655-L689 CarbonylContact C-O 2.95Å; T655-L689 WeakPolarHBondContact CA-O 3.16Å; T655-L689 WeakPolarHBondContact CG2-O 3.35Å; I656-L689 HydrophobicContact CB-CB 4.32Å; I656-L689 PolarHBondContact N-O 2.62Å; I656-L689 PolarHBondContact O-N 2.98Å; I658-L689 HydrophobicContact CD1-CD1 3.98Å; I658-L689 HydrophobicContact CD1-CG 4.5Å; L689-V698 HydrophobicContact CD1-CB 4.18Å; L689-V698 HydrophobicContact CD1-CG1 3.71Å; L689-V698 HydrophobicContact CD2-CG1 4.12Å; L689-L699 HydrophobicContact CD1-CB 4.43Å; L689-L702 HydrophobicContact CD1-CD1 3.99Å; L689-L752 HydrophobicContact CD2-CD2 3.97Å
690	P	96.6	Very high	93.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	145.4	169.6	27.5	-34.4	0	0	0	110.8	L647 H650 K654 S692 G695 L752	L647-P690 HydrophobicContact CD1-CB 4.45Å; H650-P690 HydrophobicContact CB-CB 3.94Å; K654-P690 CarbonylContact O-C 3.5Å; P690-S692 PolarHBondContact O-N 3.12Å; P690-G695 WeakPolarHBondContact O-CA 3.33Å; P690-L752 HydrophobicContact CG-CD1 3.8Å; P690-L752 HydrophobicContact CG-CD2 4.47Å
691	D	95.6	Very high	93.8	Very high	24 Å²	24	42.7 Å²	42.7	13%	0.128	21%	0.21	C	C	.	.	S	Bend	trans	-80.5	48.8	172.1	-167.4	20.2	0	0	0	110.8	V642 K654 I656 R696	V642-D691 HydrophobicContact CG1-CB 4.43Å; K654-D691 HydrophobicContact CB-CB 4.03Å; K654-D691 PolarHBondContact O-N 3.05Å; I656-D691 HydrophobicContact CG1-CB 4.04Å; D691-R696 VanDerWaalsContact C-NH1 3.28Å; D691-R696 PolarHBondContact O-NH1 2.84Å; D691-R696 IonicContact OD1-CZ 2.86Å; D691-R696 IonicContact OD1-NH1 3.46Å; D691-R696 PolarHBondContact OD1-NH1 2.86Å
692	S	94.8	Very high	94.1	Very high	26 Å²	26	36 Å²	36	18%	0.182	19%	0.185	C	C	.	.	S	Bend	trans	-92.9	168.8	169.5	69.8	0	0	0	0	109.9	P690 K694 G695 R696	P690-S692 PolarHBondContact O-N 3.12Å; S692-K694 VanDerWaalsContact C-N 3.29Å; S692-K694 PolarHBondContact O-N 2.84Å; S692-G695 PolarHBondContact O-N 2.98Å; S692-G695 PolarHBondContact OG-N 3.15Å; S692-G695 VanDerWaalsContact OG-N 3.11Å; S692-R696 PolarHBondContact O-N 3.22Å
693	E	93.1	Very high	94.6	Very high	152 Å²	152	33.2 Å²	33.2	71%	0.71	16%	0.155	S	C	*	.	H	α-helix	trans	-58.6	-43.1	174.6	-174.2	179	176	0	0	111.9	R696 K697	E693-R696 PolarHBondContact O-N 2.94Å; E693-K697 WeakPolarHBondContact O-CB 3.35Å; E693-K697 PolarHBondContact O-N 3.32Å
694	K	93.8	Very high	94.6	Very high	72 Å²	72	32 Å²	32	31%	0.313	15%	0.15	S	C	.	.	H	α-helix	trans	-62.9	-41.3	176.1	-163.6	174.2	-168.2	169.4	0	112	S692 K697 V698 L752 D753 L756	S692-K694 VanDerWaalsContact C-N 3.29Å; S692-K694 PolarHBondContact O-N 2.84Å; K694-K697 WeakPolarHBondContact O-CB 3.41Å; K694-K697 PolarHBondContact O-N 2.97Å; K694-V698 WeakPolarHBondContact O-CG2 3.3Å; K694-V698 PolarHBondContact O-N 3.07Å; K694-L752 HydrophobicContact CB-CD1 4.26Å; K694-L752 HydrophobicContact CD-CB 3.88Å; K694-L752 HydrophobicContact CD-CD1 4.09Å; K694-L752 HydrophobicContact CG-CB 4.19Å; K694-L752 HydrophobicContact CG-CD1 4.17Å; K694-D753 WeakPolarHBondContact CE-OD1 3.4Å; K694-D753 IonicContact NZ-OD1 3.45Å; K694-D753 PolarHBondContact NZ-OD1 3.24Å; K694-D753 IonicContact NZ-OD2 3.79Å; K694-D753 PolarHBondContact NZ-OD2 2.84Å; K694-L756 HydrophobicContact CG-CD1 4.49Å
695	G	94.9	Very high	94.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.8	-39.7	175.3	0	0	0	0	0	113.5	P690 S692 V698 L699	P690-G695 WeakPolarHBondContact O-CA 3.33Å; S692-G695 PolarHBondContact O-N 2.98Å; S692-G695 PolarHBondContact OG-N 3.15Å; S692-G695 VanDerWaalsContact OG-N 3.11Å; G695-V698 PolarHBondContact O-N 3.17Å; G695-L699 PolarHBondContact O-N 2.96Å
696	R	94.1	Very high	94.7	Very high	61 Å²	61	27.2 Å²	27.2	23%	0.23	12%	0.124	C	C	.	.	H	α-helix	trans	-65.2	-36.5	171.9	-72.2	-172.8	-66.9	-82.4	-2.5	112.4	V522 I656 D691 S692 E693 L699 R700	V522-R696 HydrophobicContact CG1-CG 3.97Å; I656-R696 HydrophobicContact CD1-CG 3.85Å; D691-R696 VanDerWaalsContact C-NH1 3.28Å; D691-R696 PolarHBondContact O-NH1 2.84Å; D691-R696 IonicContact OD1-CZ 2.86Å; D691-R696 IonicContact OD1-NH1 3.46Å; D691-R696 PolarHBondContact OD1-NH1 2.86Å; S692-R696 PolarHBondContact O-N 3.22Å; E693-R696 PolarHBondContact O-N 2.94Å; R696-L699 PolarHBondContact O-N 3.35Å; R696-R700 PolarHBondContact O-N 3.44Å
697	K	93.6	Very high	94.6	Very high	54 Å²	54	27.1 Å²	27.1	24%	0.235	13%	0.125	C	C	.	.	H	α-helix	trans	-62.9	-47.1	172.3	164.6	171.5	164.1	153.9	0	112	E693 K694 L699 R700 L701 L756 E766	E693-K697 WeakPolarHBondContact O-CB 3.35Å; E693-K697 PolarHBondContact O-N 3.32Å; K694-K697 WeakPolarHBondContact O-CB 3.41Å; K694-K697 PolarHBondContact O-N 2.97Å; K697-L699 VanDerWaalsContact C-N 3.34Å; K697-L699 PolarHBondContact O-N 2.97Å; K697-R700 PolarHBondContact O-N 3.18Å; K697-L701 HydrophobicContact CG-CD1 4.41Å; K697-L701 PolarHBondContact O-N 2.73Å; K697-L756 HydrophobicContact CG-CD2 4.33Å; K697-E766 WeakPolarHBondContact CD-OE2 3.2Å; K697-E766 WeakPolarHBondContact CE-OE1 3.3Å; K697-E766 WeakPolarHBondContact CE-OE2 3.42Å; K697-E766 IonicContact NZ-OE1 3.96Å; K697-E766 PolarHBondContact NZ-OE1 3.49Å; K697-E766 IonicContact NZ-OE2 2.67Å; K697-E766 PolarHBondContact NZ-OE2 3.02Å
698	V	95.8	Very high	94.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.4	-44.9	172.2	170.9	0	0	0	0	111	L689 K694 G695 R700 L701 L702 L752 V755 L756	L689-V698 HydrophobicContact CD1-CB 4.18Å; L689-V698 HydrophobicContact CD1-CG1 3.71Å; L689-V698 HydrophobicContact CD2-CG1 4.12Å; K694-V698 WeakPolarHBondContact O-CG2 3.3Å; K694-V698 PolarHBondContact O-N 3.07Å; G695-V698 PolarHBondContact O-N 3.17Å; V698-R700 PolarHBondContact O-N 2.89Å; V698-L701 PolarHBondContact O-N 3.02Å; V698-L702 HydrophobicContact CG1-CD1 3.83Å; V698-L702 HydrophobicContact CG1-CG 4.15Å; V698-L702 WeakPolarHBondContact O-CG 3.4Å; V698-L702 PolarHBondContact O-N 3.18Å; V698-L752 HydrophobicContact CG2-CD2 4.26Å; V698-V755 HydrophobicContact CB-CG1 4.42Å; V698-V755 HydrophobicContact CG1-CG1 3.67Å; V698-V755 HydrophobicContact CG1-CG2 4.48Å; V698-V755 HydrophobicContact CG2-CG1 3.76Å; V698-L756 HydrophobicContact CG2-CD1 4.44Å; V698-L756 HydrophobicContact CG2-CD2 3.72Å; V698-L756 HydrophobicContact CG2-CG 3.82Å
699	L	95.1	Very high	94.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.6	-43.7	176.9	178.4	68.5	0	0	0	112.6	V522 L525 M638 Y640 I656 I658 L689 G695 R696 K697 L701 L702 L703	V522-L699 HydrophobicContact CB-CD2 4.23Å; V522-L699 HydrophobicContact CG1-CD2 3.87Å; V522-L699 HydrophobicContact CG2-CD2 3.98Å; L525-L699 HydrophobicContact CD1-CD2 3.44Å; L525-L699 VanDerWaalsContact CD1-CD2 3.44Å; L525-L699 HydrophobicContact CD1-CG 4.06Å; M638-L699 HydrophobicContact CE-CD1 4.09Å; Y640-L699 HydrophobicContact CD2-CD1 4.48Å; Y640-L699 HydrophobicContact CD2-CD2 3.84Å; Y640-L699 HydrophobicContact CE2-CD2 4.25Å; Y640-L699 HydrophobicContact CG-CD1 4.21Å; Y640-L699 HydrophobicContact CG-CD2 4.37Å; I656-L699 HydrophobicContact CD1-CD2 4.3Å; I656-L699 HydrophobicContact CG2-CD1 4.44Å; I656-L699 HydrophobicContact CG2-CD2 3.99Å; I658-L699 HydrophobicContact CD1-CD1 3.72Å; I658-L699 HydrophobicContact CG1-CD1 3.98Å; L689-L699 HydrophobicContact CD1-CB 4.43Å; G695-L699 PolarHBondContact O-N 2.96Å; R696-L699 PolarHBondContact O-N 3.35Å; K697-L699 VanDerWaalsContact C-N 3.34Å; K697-L699 PolarHBondContact O-N 2.97Å; L699-L701 VanDerWaalsContact C-N 3.33Å; L699-L701 PolarHBondContact O-N 3.26Å; L699-L702 PolarHBondContact O-N 2.88Å; L699-L703 HydrophobicContact CG-CD1 4.26Å; L699-L703 VanDerWaalsContact O-CG 3.31Å; L699-L703 WeakPolarHBondContact O-CG 3.43Å; L699-L703 PolarHBondContact O-N 3.23Å
700	R	93.6	Very high	94	Very high	86 Å²	86	31 Å²	31	33%	0.325	14%	0.139	S	C	.	.	H	α-helix	trans	-58	-45	176.7	-73.4	-168.5	-63.2	-95.5	4.9	111.7	L525 R696 K697 V698 L703 V704	L525-R700 HydrophobicContact CD2-CG 4.35Å; R696-R700 PolarHBondContact O-N 3.44Å; K697-R700 PolarHBondContact O-N 3.18Å; V698-R700 PolarHBondContact O-N 2.89Å; R700-L703 WeakPolarHBondContact O-CB 3.5Å; R700-L703 PolarHBondContact O-N 3.15Å; R700-V704 PolarHBondContact O-N 2.86Å
701	L	94.7	Very high	94	Very high	6 Å²	6	31 Å²	31	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-69	-36.9	178.4	-64	163.6	0	0	0	112.1	K697 V698 L699 L703 V704 A705 L756 L759 I764 E766	K697-L701 HydrophobicContact CG-CD1 4.41Å; K697-L701 PolarHBondContact O-N 2.73Å; V698-L701 PolarHBondContact O-N 3.02Å; L699-L701 VanDerWaalsContact C-N 3.33Å; L699-L701 PolarHBondContact O-N 3.26Å; L701-L703 VanDerWaalsContact C-N 3.28Å; L701-L703 PolarHBondContact O-N 3.08Å; L701-V704 PolarHBondContact O-N 2.97Å; L701-A705 PolarHBondContact O-N 3.39Å; L701-L756 HydrophobicContact CD1-CD2 3.4Å; L701-L759 HydrophobicContact CB-CD1 3.83Å; L701-I764 HydrophobicContact CB-CG2 4.41Å; L701-I764 HydrophobicContact CD2-CG2 3.93Å; L701-E766 HydrophobicContact CD1-CG 4.31Å; L701-E766 HydrophobicContact CD2-CG 4.32Å
702	L	95.7	Very high	94	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-63.1	-31.5	171.9	-73.2	173.9	0	0	0	112.8	M638 I658 L689 V698 L699 A705 W706 I711 V731 L759	M638-L702 HydrophobicContact CE-CB 4.36Å; I658-L702 HydrophobicContact CD1-CD1 3.8Å; L689-L702 HydrophobicContact CD1-CD1 3.99Å; V698-L702 HydrophobicContact CG1-CD1 3.83Å; V698-L702 HydrophobicContact CG1-CG 4.15Å; V698-L702 WeakPolarHBondContact O-CG 3.4Å; V698-L702 PolarHBondContact O-N 3.18Å; L699-L702 PolarHBondContact O-N 2.88Å; L702-A705 PolarHBondContact O-N 2.96Å; L702-W706 WeakPolarHBondContact O-CB 3.16Å; L702-W706 PolarHBondContact O-N 2.99Å; L702-I711 HydrophobicContact CD2-CD1 3.72Å; L702-V731 HydrophobicContact CD2-CG1 3.84Å; L702-L759 HydrophobicContact CD2-CD1 4.19Å; L702-L759 HydrophobicContact CD2-CD2 4.24Å; L702-L759 HydrophobicContact CG-CD1 4.3Å
703	L	93.3	Very high	94	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-69.5	-37.9	173.3	-68.1	164.6	0	0	0	111.7	L525 R530 M638 Y640 L699 R700 L701 D707	L525-L703 HydrophobicContact CD1-CD1 3.91Å; L525-L703 HydrophobicContact CD2-CD1 4.16Å; R530-L703 HydrophobicContact CG-CD2 3.63Å; M638-L703 HydrophobicContact CE-CD2 3.68Å; M638-L703 HydrophobicContact CE-CG 4.18Å; M638-L703 HydrophobicContact SD-CD2 3.67Å; Y640-L703 HydrophobicContact CD1-CD2 3.96Å; Y640-L703 HydrophobicContact CE1-CD1 4.12Å; Y640-L703 HydrophobicContact CE1-CD2 3.3Å; Y640-L703 HydrophobicContact CE1-CG 4.3Å; Y640-L703 HydrophobicContact CE2-CD1 4.38Å; Y640-L703 WeakPolarHBondContact OH-CD1 3.28Å; L699-L703 HydrophobicContact CG-CD1 4.26Å; L699-L703 VanDerWaalsContact O-CG 3.31Å; L699-L703 WeakPolarHBondContact O-CG 3.43Å; L699-L703 PolarHBondContact O-N 3.23Å; R700-L703 WeakPolarHBondContact O-CB 3.5Å; R700-L703 PolarHBondContact O-N 3.15Å; L701-L703 VanDerWaalsContact C-N 3.28Å; L701-L703 PolarHBondContact O-N 3.08Å; L703-D707 WeakPolarHBondContact O-CB 3.4Å; L703-D707 PolarHBondContact O-N 3.18Å
704	V	92.4	Very high	94	Very high	11 Å²	11	22.4 Å²	22.4	7%	0.067	10%	0.098	C	C	.	.	H	α-helix	trans	-65.5	-43.1	171.6	179.3	0	0	0	0	110.5	R700 L701 W706 D707 R708 I764	R700-V704 PolarHBondContact O-N 2.86Å; L701-V704 PolarHBondContact O-N 2.97Å; V704-W706 PolarHBondContact O-N 2.97Å; V704-D707 PolarHBondContact O-N 3.23Å; V704-R708 HydrophobicContact CG1-CG 4.43Å; V704-R708 WeakPolarHBondContact O-CB 3.44Å; V704-R708 VanDerWaalsContact O-CG 3.28Å; V704-R708 WeakPolarHBondContact O-CG 3.38Å; V704-R708 PolarHBondContact O-N 3.04Å; V704-I764 HydrophobicContact CB-CG2 4Å; V704-I764 HydrophobicContact CG1-CG2 3.82Å
705	A	94.3	Very high	93.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.2	-42.9	175.7	0	0	0	0	0	112.7	L701 L702 R708 R709 L710 I711 L759 I764	L701-A705 PolarHBondContact O-N 3.39Å; L702-A705 PolarHBondContact O-N 2.96Å; A705-R708 CarbonylContact O-C 3.58Å; A705-R708 PolarHBondContact O-N 3.12Å; A705-R709 PolarHBondContact O-N 3.01Å; A705-R709 VanDerWaalsContact O-N 3.1Å; A705-L710 HydrophobicContact CB-CB 4.38Å; A705-L710 PolarHBondContact O-N 3.33Å; A705-I711 HydrophobicContact CB-CD1 3.58Å; A705-I711 HydrophobicContact CB-CG1 4.33Å; A705-L759 HydrophobicContact CB-CD2 3.78Å; A705-I764 VanDerWaalsContact CA-CD1 3.48Å; A705-I764 HydrophobicContact CB-CD1 3.39Å
706	W	94.1	Very high	93.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.4	-46.4	175.6	174.6	-92.6	0	0	0	112.2	T532 Q633 K637 M638 Y660 I662 L702 V704 R708 R709 I711 F712	T532-W706 HydrophobicContact CG2-CZ2 4.25Å; Q633-W706 PolarHBondContact NE2-O 3.44Å; K637-W706 VanDerWaalsContact C-CZ2 3.49Å; M638-W706 HydrophobicContact CB-CD2 3.62Å; M638-W706 HydrophobicContact CB-CE3 4.05Å; M638-W706 HydrophobicContact CB-CG 4.02Å; M638-W706 HydrophobicContact CB-CH2 4.37Å; M638-W706 HydrophobicContact CB-CZ2 3.96Å; M638-W706 HydrophobicContact CB-CZ3 4.4Å; M638-W706 HydrophobicContact CG-CD2 4.39Å; M638-W706 HydrophobicContact CG-CG 4.5Å; M638-W706 HydrophobicContact SD-CB 3.65Å; M638-W706 HydrophobicContact SD-CD2 4.04Å; M638-W706 HydrophobicContact SD-CG 3.64Å; Y660-W706 HydrophobicContact CD1-CD2 4.47Å; Y660-W706 AromaticContact CD1-CE3 3.56Å; Y660-W706 HydrophobicContact CD1-CE3 3.56Å; Y660-W706 HydrophobicContact CD1-CH2 4.26Å; Y660-W706 AromaticContact CD1-CZ3 3.43Å; Y660-W706 HydrophobicContact CD1-CZ3 3.43Å; Y660-W706 VanDerWaalsContact CD1-CZ3 3.43Å; Y660-W706 HydrophobicContact CE1-CD2 4.26Å; Y660-W706 AromaticContact CE1-CE3 3.49Å; Y660-W706 HydrophobicContact CE1-CE3 3.49Å; Y660-W706 VanDerWaalsContact CE1-CE3 3.49Å; Y660-W706 AromaticContact CE1-CZ3 3.89Å; Y660-W706 HydrophobicContact CE1-CZ3 3.89Å; Y660-W706 HydrophobicContact CG-CZ3 4.45Å; I662-W706 HydrophobicContact CD1-CH2 4.29Å; I662-W706 HydrophobicContact CD1-CZ3 4.26Å; I662-W706 HydrophobicContact CG1-CH2 4.15Å; L702-W706 WeakPolarHBondContact O-CB 3.16Å; L702-W706 PolarHBondContact O-N 2.99Å; V704-W706 PolarHBondContact O-N 2.97Å; W706-R708 PolarHBondContact O-N 3.01Å; W706-R709 PolarHBondContact O-N 3.03Å; W706-I711 HydrophobicContact CB-CG1 4.13Å; W706-I711 HydrophobicContact CE3-CB 4.42Å; W706-I711 HydrophobicContact CE3-CG1 4.21Å; W706-F712 HydrophobicContact CZ3-CD2 4.07Å; W706-F712 AromaticContact CZ3-CE2 3.95Å; W706-F712 HydrophobicContact CZ3-CE2 3.95Å
707	D	90.8	Very high	93.3	Very high	57 Å²	57	21.8 Å²	21.8	31%	0.305	11%	0.111	S	C	.	.	H	α-helix	trans	-65.1	-28.1	175.9	-73.4	-11.7	0	0	0	112.1	R530 L703 V704 R709 R772	R530-D707 IonicContact NE-OD2 3.11Å; L703-D707 WeakPolarHBondContact O-CB 3.4Å; L703-D707 PolarHBondContact O-N 3.18Å; V704-D707 PolarHBondContact O-N 3.23Å; D707-R709 VanDerWaalsContact C-N 3.32Å; D707-R772 IonicContact OD2-CZ 2.65Å; D707-R772 VanDerWaalsContact OD2-CZ 3.23Å; D707-R772 IonicContact OD2-NH1 2.75Å; D707-R772 PolarHBondContact OD2-NH1 3.24Å; D707-R772 IonicContact OD2-NH2 3.23Å; D707-R772 PolarHBondContact OD2-NH2 3.12Å
708	R	90.9	Very high	92.7	Very high	36 Å²	36	25.2 Å²	25.2	14%	0.136	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	5	171	-71.3	178.1	-175.4	-155.9	-6.1	114.4	T630 G631 V704 A705 W706 L710 G763 E768	T630-R708 CarbonylContact C-O 3.53Å; T630-R708 WeakPolarHBondContact CA-O 3.3Å; T630-R708 VanDerWaalsContact CB-O 3.25Å; T630-R708 WeakPolarHBondContact CB-O 3.48Å; T630-R708 HydrophobicContact CG2-CB 4.37Å; G631-R708 PolarHBondContact N-O 3.46Å; V704-R708 HydrophobicContact CG1-CG 4.43Å; V704-R708 WeakPolarHBondContact O-CB 3.44Å; V704-R708 VanDerWaalsContact O-CG 3.28Å; V704-R708 WeakPolarHBondContact O-CG 3.38Å; V704-R708 PolarHBondContact O-N 3.04Å; A705-R708 CarbonylContact O-C 3.58Å; A705-R708 PolarHBondContact O-N 3.12Å; W706-R708 PolarHBondContact O-N 3.01Å; R708-L710 VanDerWaalsContact C-N 3.32Å; R708-L710 HydrophobicContact CB-CD1 3.74Å; R708-L710 HydrophobicContact CB-CG 4.12Å; R708-L710 PolarHBondContact O-N 3.34Å; R708-G763 PolarHBondContact NH1-O 2.99Å; R708-E768 VanDerWaalsContact CZ-CD 3.46Å; R708-E768 IonicContact CZ-OE1 2.77Å; R708-E768 IonicContact CZ-OE2 3.72Å; R708-E768 IonicContact NH1-OE1 3.24Å; R708-E768 PolarHBondContact NH1-OE1 3.11Å; R708-E768 IonicContact NH1-OE2 2.72Å; R708-E768 PolarHBondContact NH1-OE2 2.9Å; R708-E768 IonicContact NH2-OE1 3.11Å; R708-E768 PolarHBondContact NH2-OE1 3.44Å; R708-E768 IonicContact NH2-OE2 3.7Å; R708-E768 PolarHBondContact NH2-OE2 3.29Å; R708-E768 VanDerWaalsContact NH2-OE2 3.11Å
709	R	92.8	Very high	91.8	Very high	59 Å²	59	31.1 Å²	31.1	22%	0.223	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	32.1	179.7	-62	178.4	72.1	-174.6	3.3	114.3	G631 N632 Q633 E670 A705 W706 D707	G631-R709 CarbonylContact C-O 3.5Å; G631-R709 VanDerWaalsContact C-O 3.24Å; G631-R709 WeakPolarHBondContact CA-O 3.4Å; G631-R709 WeakPolarHBondContact O-CB 3.48Å; N632-R709 PolarHBondContact O-NH2 2.97Å; Q633-R709 HydrophobicContact CB-CB 3.73Å; Q633-R709 HydrophobicContact CB-CG 4.43Å; Q633-R709 WeakPolarHBondContact CB-O 3.26Å; Q633-R709 PolarHBondContact N-O 2.86Å; Q633-R709 VanDerWaalsContact O-CZ 3.32Å; Q633-R709 PolarHBondContact O-NE 2.96Å; Q633-R709 PolarHBondContact O-NH2 3.38Å; E670-R709 IonicContact OE1-CZ 2.85Å; E670-R709 IonicContact OE1-NH1 2.67Å; E670-R709 PolarHBondContact OE1-NH1 3.29Å; E670-R709 IonicContact OE1-NH2 3.18Å; E670-R709 PolarHBondContact OE1-NH2 2.94Å; A705-R709 PolarHBondContact O-N 3.01Å; A705-R709 VanDerWaalsContact O-N 3.1Å; W706-R709 PolarHBondContact O-N 3.03Å; D707-R709 VanDerWaalsContact C-N 3.32Å
710	L	93.4	Very high	91	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	21%	0.205	C	C	.	.			trans	-105	-2.3	-171	-74.9	167.3	0	0	0	116.1	K629 A705 R708 N729 Q762 I764	K629-L710 HydrophobicContact CG-CD2 4.32Å; A705-L710 HydrophobicContact CB-CB 4.38Å; A705-L710 PolarHBondContact O-N 3.33Å; R708-L710 VanDerWaalsContact C-N 3.32Å; R708-L710 HydrophobicContact CB-CD1 3.74Å; R708-L710 HydrophobicContact CB-CG 4.12Å; R708-L710 PolarHBondContact O-N 3.34Å; L710-N729 WeakPolarHBondContact O-CB 3.31Å; L710-N729 PolarHBondContact O-ND2 2.92Å; L710-Q762 HydrophobicContact CD1-CB 4.33Å; L710-I764 HydrophobicContact CD1-CD1 3.92Å; L710-I764 HydrophobicContact CD1-CG1 4.41Å
711	I	96.3	Very high	90.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-81.4	-36.9	-178.2	-53.6	-65.3	0	0	0	112.2	Y660 L702 A705 W706 W728 N729	Y660-I711 HydrophobicContact CE1-CG1 4.42Å; Y660-I711 HydrophobicContact CE1-CG2 4.21Å; Y660-I711 HydrophobicContact CE2-CG2 4.24Å; L702-I711 HydrophobicContact CD2-CD1 3.72Å; A705-I711 HydrophobicContact CB-CD1 3.58Å; A705-I711 HydrophobicContact CB-CG1 4.33Å; W706-I711 HydrophobicContact CB-CG1 4.13Å; W706-I711 HydrophobicContact CE3-CB 4.42Å; W706-I711 HydrophobicContact CE3-CG1 4.21Å; I711-W728 HydrophobicContact CG2-CE3 4.14Å; I711-W728 HydrophobicContact CG2-CZ3 3.77Å; I711-N729 WeakPolarHBondContact O-CB 3.41Å; I711-N729 PolarHBondContact O-N 3.37Å
712	F	96.1	Very high	90.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	161.2	-180	-55.1	-89.4	0	0	0	111.5	Q633 Y660 I662 F683 W706 V726 I727 W728	Q633-F712 VanDerWaalsContact CA-O 3.23Å; Q633-F712 WeakPolarHBondContact CA-O 3.5Å; Q633-F712 VanDerWaalsContact CB-O 3.23Å; Q633-F712 WeakPolarHBondContact CB-O 3.29Å; Q633-F712 HydrophobicContact CG-CB 4.12Å; Q633-F712 HydrophobicContact CG-CD2 4.35Å; Q633-F712 PolarHBondContact N-O 3.13Å; Y660-F712 AromaticContact CD1-CE2 3.75Å; Y660-F712 HydrophobicContact CD1-CE2 3.75Å; Y660-F712 HydrophobicContact CD1-CZ 4.32Å; Y660-F712 HydrophobicContact CD2-CE2 4.03Å; Y660-F712 AromaticContact CD2-CZ 3.78Å; Y660-F712 HydrophobicContact CD2-CZ 3.78Å; Y660-F712 HydrophobicContact CE1-CE2 4.3Å; Y660-F712 HydrophobicContact CE2-CZ 4.47Å; Y660-F712 AromaticContact CG-CE2 3.58Å; Y660-F712 HydrophobicContact CG-CE2 3.58Å; Y660-F712 AromaticContact CG-CZ 3.68Å; Y660-F712 HydrophobicContact CG-CZ 3.68Å; I662-F712 HydrophobicContact CD1-CB 4.07Å; I662-F712 HydrophobicContact CD1-CD2 3.43Å; I662-F712 VanDerWaalsContact CD1-CD2 3.43Å; I662-F712 HydrophobicContact CD1-CE2 3.99Å; I662-F712 HydrophobicContact CD1-CG 3.79Å; F683-F712 AromaticContact CE1-CE1 3.97Å; F683-F712 HydrophobicContact CE1-CE1 3.97Å; F683-F712 HydrophobicContact CE1-CE2 4.39Å; F683-F712 AromaticContact CE1-CZ 3.86Å; F683-F712 HydrophobicContact CE1-CZ 3.86Å; F683-F712 AromaticContact CZ-CD1 3.98Å; F683-F712 HydrophobicContact CZ-CD1 3.98Å; F683-F712 AromaticContact CZ-CE1 3.72Å; F683-F712 HydrophobicContact CZ-CE1 3.72Å; F683-F712 HydrophobicContact CZ-CZ 4.07Å; W706-F712 HydrophobicContact CZ3-CD2 4.07Å; W706-F712 AromaticContact CZ3-CE2 3.95Å; W706-F712 HydrophobicContact CZ3-CE2 3.95Å; F712-V726 HydrophobicContact CB-CG1 3.91Å; F712-V726 HydrophobicContact CD1-CG1 4.12Å; F712-V726 HydrophobicContact CG-CG1 4.17Å; F712-I727 VanDerWaalsContact CA-O 3.24Å; F712-I727 WeakPolarHBondContact CA-O 3.42Å; F712-I727 VanDerWaalsContact CB-O 3.27Å; F712-I727 WeakPolarHBondContact CB-O 3.47Å; F712-I727 WeakPolarHBondContact CD1-O 3.2Å; F712-W728 HydrophobicContact CD1-CD2 4.22Å; F712-W728 AromaticContact CD1-CE3 3.88Å; F712-W728 HydrophobicContact CD1-CE3 3.88Å; F712-W728 HydrophobicContact CD1-CZ3 4.27Å; F712-W728 AromaticContact CE1-CD2 3.71Å; F712-W728 HydrophobicContact CE1-CD2 3.71Å; F712-W728 AromaticContact CE1-CE3 3.34Å; F712-W728 HydrophobicContact CE1-CE3 3.34Å; F712-W728 AromaticContact CE1-CH2 3.72Å; F712-W728 HydrophobicContact CE1-CH2 3.72Å; F712-W728 HydrophobicContact CE1-CZ2 4.07Å; F712-W728 AromaticContact CE1-CZ3 3.35Å; F712-W728 HydrophobicContact CE1-CZ3 3.35Å; F712-W728 HydrophobicContact CE2-CZ3 4.2Å; F712-W728 AromaticContact CZ-CE3 3.8Å; F712-W728 HydrophobicContact CZ-CE3 3.8Å; F712-W728 AromaticContact CZ-CH2 3.63Å; F712-W728 HydrophobicContact CZ-CH2 3.63Å; F712-W728 HydrophobicContact CZ-CZ2 4.36Å; F712-W728 AromaticContact CZ-CZ3 3.31Å; F712-W728 HydrophobicContact CZ-CZ3 3.31Å
713	S	94.4	Very high	90.2	Very high	20 Å²	20	39 Å²	39	14%	0.14	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	168.6	174.8	-178.6	0	0	0	0	110.1	N632 V726 I727	N632-S713 WeakPolarHBondContact OD1-CA 3.2Å; N632-S713 PolarHBondContact OD1-OG 3.27Å; N632-S713 VanDerWaalsContact OD1-OG 3.09Å; S713-V726 WeakPolarHBondContact O-CA 3.4Å; S713-I727 PolarHBondContact N-O 3.31Å; S713-I727 PolarHBondContact O-N 3.39Å
714	V	94.1	Very high	90.2	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.9	164.3	179.5	0	0	0	0	108	P634 Q667 P672 F678 T725	P634-V714 HydrophobicContact CG-CG2 3.51Å; Q667-V714 HydrophobicContact CG-CG1 4.25Å; P672-V714 WeakPolarHBondContact CD-O 3.49Å; P672-V714 WeakPolarHBondContact CG-O 3.43Å; F678-V714 HydrophobicContact CB-CG1 3.93Å; F678-V714 HydrophobicContact CD1-CG2 4.43Å; F678-V714 HydrophobicContact CD2-CG2 4.49Å; F678-V714 HydrophobicContact CG-CG1 4.49Å; F678-V714 HydrophobicContact CG-CG2 4.25Å; V714-T725 WeakPolarHBondContact CA-O 3.47Å
715	G	91.8	Very high	90.3	Very high	15 Å²	15	40 Å²	40	16%	0.155	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	-151	-175.3	0	0	0	0	0	112.1	S723 D724 T725	G715-S723 CarbonylContact O-C 3.24Å; G715-D724 PolarHBondContact O-N 3.25Å; G715-D724 VanDerWaalsContact O-N 3.08Å; G715-T725 PolarHBondContact N-O 3.15Å; G715-T725 PolarHBondContact O-N 2.88Å
716	T	90.5	Very high	90.3	Very high	88 Å²	88	40.1 Å²	40.1	54%	0.54	25%	0.252	S	S	.	.			trans	-101.5	128.2	179.5	-53.9	0	0	0	0	111	S718 E722	T716-S718 PolarHBondContact O-N 3.01Å; T716-E722 CarbonylContact C-O 3.51Å; T716-E722 WeakPolarHBondContact CA-O 3.42Å
717	S	86.1	Confident	90.3	Very high	17 Å²	17	42 Å²	42	12%	0.119	26%	0.261	C	S	.	.			trans	-66.3	123.2	177.7	173.4	0	0	0	0	112	T719 T720 G721 E722	S717-T719 VanDerWaalsContact C-N 3.27Å; S717-T719 PolarHBondContact O-N 3.4Å; S717-T719 PolarHBondContact OG-N 2.79Å; S717-T719 PolarHBondContact OG-OG1 2.92Å; S717-T720 WeakPolarHBondContact CB-OG1 3.45Å; S717-T720 PolarHBondContact OG-N 2.76Å; S717-T720 PolarHBondContact OG-OG1 3Å; S717-G721 VanDerWaalsContact O-CA 3.29Å; S717-G721 WeakPolarHBondContact O-CA 3.46Å; S717-G721 PolarHBondContact O-N 2.7Å; S717-E722 PolarHBondContact N-O 2.8Å
718	S	81.3	Confident	90.5	Very high	125 Å²	125	43.3 Å²	43.3	87%	0.874	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.5	175.4	52.7	0	0	0	0	113.7	T716	T716-S718 PolarHBondContact O-N 3.01Å
719	T	75.8	Confident	90.5	Very high	125 Å²	125	43.4 Å²	43.4	77%	0.767	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-19.8	-177.8	56.6	0	0	0	0	114	S717	S717-T719 VanDerWaalsContact C-N 3.27Å; S717-T719 PolarHBondContact O-N 3.4Å; S717-T719 PolarHBondContact OG-N 2.79Å; S717-T719 PolarHBondContact OG-OG1 2.92Å
720	T	78.4	Confident	90.3	Very high	94 Å²	94	46.5 Å²	46.5	58%	0.577	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.7	-10.4	-176.9	62	0	0	0	0	114.7	S717 E722	S717-T720 WeakPolarHBondContact CB-OG1 3.45Å; S717-T720 PolarHBondContact OG-N 2.76Å; S717-T720 PolarHBondContact OG-OG1 3Å; T720-E722 PolarHBondContact O-N 3.49Å; T720-E722 VanDerWaalsContact O-N 3.15Å
721	G	87.9	Confident	90.4	Very high	55 Å²	55	46.5 Å²	46.5	57%	0.567	28%	0.282	S	S	*	.			trans	69.5	-0.9	-174.2	0	0	0	0	0	115	S717 S723	S717-G721 VanDerWaalsContact O-CA 3.29Å; S717-G721 WeakPolarHBondContact O-CA 3.46Å; S717-G721 PolarHBondContact O-N 2.7Å; G721-S723 PolarHBondContact O-N 2.97Å
722	E	86.4	Confident	90.2	Very high	48 Å²	48	51.5 Å²	51.5	22%	0.224	31%	0.306	C	S	.	.			trans	-64.2	117	179	-172.9	175.6	-177.8	0	0	110.1	T679 R681 T716 S717 T720 T725	T679-E722 WeakPolarHBondContact CB-OE1 3.32Å; T679-E722 WeakPolarHBondContact CG2-OE1 3.47Å; T679-E722 PolarHBondContact OG1-OE1 3.43Å; R681-E722 VanDerWaalsContact CG-OE2 3.25Å; R681-E722 WeakPolarHBondContact CG-OE2 3.31Å; R681-E722 IonicContact CZ-OE1 3.34Å; R681-E722 VanDerWaalsContact CZ-OE1 3.26Å; R681-E722 IonicContact CZ-OE2 3.52Å; R681-E722 VanDerWaalsContact NE-CD 3.33Å; R681-E722 IonicContact NE-OE1 2.73Å; R681-E722 PolarHBondContact NE-OE1 2.99Å; R681-E722 IonicContact NE-OE2 2.68Å; R681-E722 PolarHBondContact NE-OE2 3.15Å; R681-E722 IonicContact NH2-OE1 2.71Å; R681-E722 PolarHBondContact NH2-OE1 3.01Å; R681-E722 IonicContact NH2-OE2 3.15Å; T716-E722 CarbonylContact C-O 3.51Å; T716-E722 WeakPolarHBondContact CA-O 3.42Å; S717-E722 PolarHBondContact N-O 2.8Å; T720-E722 PolarHBondContact O-N 3.49Å; T720-E722 VanDerWaalsContact O-N 3.15Å; E722-T725 HydrophobicContact CB-CG2 4.35Å; E722-T725 HydrophobicContact CG-CG2 4.43Å; E722-T725 VanDerWaalsContact O-CG2 3.28Å; E722-T725 WeakPolarHBondContact O-CG2 3.41Å
723	S	92.4	Very high	90.2	Very high	62 Å²	62	52.2 Å²	52.2	43%	0.434	31%	0.309	S	S	.	.	S	Bend	trans	-76	168.5	171.5	75.4	0	0	0	0	111.1	G715 G721 T725	G715-S723 CarbonylContact O-C 3.24Å; G721-S723 PolarHBondContact O-N 2.97Å; S723-T725 PolarHBondContact O-N 3.15Å
724	D	93.3	Very high	90.2	Very high	33 Å²	33	51.8 Å²	51.8	18%	0.176	30%	0.304	C	S	.	.	S	Bend	trans	54.3	40.7	173.3	-56.7	-84.7	0	0	0	112.3	Q667 N673 F678 T679 G715	Q667-D724 PolarHBondContact NE2-OD1 3.42Å; N673-D724 PolarHBondContact ND2-OD1 3.42Å; F678-D724 CarbonylContact C-O 3.47Å; F678-D724 WeakPolarHBondContact CA-O 3.43Å; F678-D724 VanDerWaalsContact CB-O 3.23Å; F678-D724 WeakPolarHBondContact CB-O 3.21Å; T679-D724 PolarHBondContact N-O 3.25Å; G715-D724 PolarHBondContact O-N 3.25Å; G715-D724 VanDerWaalsContact O-N 3.08Å
725	T	94.6	Very high	90.1	Very high	4 Å²	4	54 Å²	54	3%	0.025	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	157.9	-176.6	-159.1	0	0	0	0	112.6	T679 V714 G715 E722 S723 I727	T679-T725 CarbonylContact O-C 3.33Å; T679-T725 VanDerWaalsContact O-CA 3.32Å; T679-T725 WeakPolarHBondContact O-CA 3.41Å; T679-T725 PolarHBondContact O-OG1 3.25Å; T679-T725 VanDerWaalsContact O-OG1 3.1Å; T679-T725 VanDerWaalsContact OG1-CB 3.29Å; T679-T725 WeakPolarHBondContact OG1-CB 3.42Å; T679-T725 PolarHBondContact OG1-OG1 3.26Å; V714-T725 WeakPolarHBondContact CA-O 3.47Å; G715-T725 PolarHBondContact N-O 3.15Å; G715-T725 PolarHBondContact O-N 2.88Å; E722-T725 HydrophobicContact CB-CG2 4.35Å; E722-T725 HydrophobicContact CG-CG2 4.43Å; E722-T725 VanDerWaalsContact O-CG2 3.28Å; E722-T725 WeakPolarHBondContact O-CG2 3.41Å; S723-T725 PolarHBondContact O-N 3.15Å; T725-I727 HydrophobicContact CG2-CG2 3.81Å; T725-I727 PolarHBondContact O-N 3.29Å
726	V	95.5	Very high	89.9	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	103.3	177.2	-178.1	0	0	0	0	110.5	P634 I662 F678 T679 A680 F683 R685 F712 S713	P634-V726 HydrophobicContact CG-CG2 4.14Å; I662-V726 HydrophobicContact CD1-CG1 4.03Å; I662-V726 HydrophobicContact CG2-CG1 4.31Å; I662-V726 HydrophobicContact CG2-CG2 4.01Å; F678-V726 HydrophobicContact CD2-CG2 3.63Å; F678-V726 HydrophobicContact CE2-CG2 3.68Å; T679-V726 PolarHBondContact O-N 3.21Å; A680-V726 HydrophobicContact CB-CB 4.34Å; A680-V726 HydrophobicContact CB-CG2 3.95Å; F683-V726 HydrophobicContact CE2-CB 3.92Å; F683-V726 HydrophobicContact CE2-CG1 3.65Å; F683-V726 HydrophobicContact CZ-CB 4.42Å; F683-V726 HydrophobicContact CZ-CG1 3.64Å; R685-V726 PolarHBondContact NH2-O 2.81Å; F712-V726 HydrophobicContact CB-CG1 3.91Å; F712-V726 HydrophobicContact CD1-CG1 4.12Å; F712-V726 HydrophobicContact CG-CG1 4.17Å; S713-V726 WeakPolarHBondContact O-CA 3.4Å
727	I	94	Very high	89.8	Confident	40 Å²	40	49.9 Å²	49.9	21%	0.205	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	157.9	179.2	59.1	171.7	0	0	0	111.3	F712 S713 T725	F712-I727 VanDerWaalsContact CA-O 3.24Å; F712-I727 WeakPolarHBondContact CA-O 3.42Å; F712-I727 VanDerWaalsContact CB-O 3.27Å; F712-I727 WeakPolarHBondContact CB-O 3.47Å; F712-I727 WeakPolarHBondContact CD1-O 3.2Å; S713-I727 PolarHBondContact N-O 3.31Å; S713-I727 PolarHBondContact O-N 3.39Å; T725-I727 HydrophobicContact CG2-CG2 3.81Å; T725-I727 PolarHBondContact O-N 3.29Å
728	W	94	Very high	89.6	Confident	84 Å²	84	50.4 Å²	50.4	32%	0.318	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	147	162.4	-68.4	111.7	0	0	0	109.6	Y660 R685 I711 F712 H733 T735	Y660-W728 HydrophobicContact CD2-CH2 4.04Å; Y660-W728 HydrophobicContact CD2-CZ3 4.32Å; Y660-W728 HydrophobicContact CE2-CH2 4.25Å; Y660-W728 HydrophobicContact CE2-CZ3 4.26Å; R685-W728 HydrophobicContact CB-CZ2 4.29Å; I711-W728 HydrophobicContact CG2-CE3 4.14Å; I711-W728 HydrophobicContact CG2-CZ3 3.77Å; F712-W728 HydrophobicContact CD1-CD2 4.22Å; F712-W728 AromaticContact CD1-CE3 3.88Å; F712-W728 HydrophobicContact CD1-CE3 3.88Å; F712-W728 HydrophobicContact CD1-CZ3 4.27Å; F712-W728 AromaticContact CE1-CD2 3.71Å; F712-W728 HydrophobicContact CE1-CD2 3.71Å; F712-W728 AromaticContact CE1-CE3 3.34Å; F712-W728 HydrophobicContact CE1-CE3 3.34Å; F712-W728 AromaticContact CE1-CH2 3.72Å; F712-W728 HydrophobicContact CE1-CH2 3.72Å; F712-W728 HydrophobicContact CE1-CZ2 4.07Å; F712-W728 AromaticContact CE1-CZ3 3.35Å; F712-W728 HydrophobicContact CE1-CZ3 3.35Å; F712-W728 HydrophobicContact CE2-CZ3 4.2Å; F712-W728 AromaticContact CZ-CE3 3.8Å; F712-W728 HydrophobicContact CZ-CE3 3.8Å; F712-W728 AromaticContact CZ-CH2 3.63Å; F712-W728 HydrophobicContact CZ-CH2 3.63Å; F712-W728 HydrophobicContact CZ-CZ2 4.36Å; F712-W728 AromaticContact CZ-CZ3 3.31Å; F712-W728 HydrophobicContact CZ-CZ3 3.31Å; W728-H733 AromaticContact CE3-ND1 3.98Å; W728-H733 HydrophobicContact CH2-CB 3.82Å; W728-H733 AromaticContact CH2-CG 3.84Å; W728-H733 HydrophobicContact CZ2-CB 4.3Å; W728-H733 HydrophobicContact CZ3-CB 3.98Å; W728-H733 AromaticContact CZ3-CG 3.6Å; W728-H733 AromaticContact CZ3-ND1 3.54Å; W728-T735 HydrophobicContact CZ2-CG2 4.01Å
729	N	92	Very high	89.5	Confident	38 Å²	38	45.3 Å²	45.3	20%	0.203	26%	0.261	C	S	.	.			trans	-97.4	-167.4	170.1	-164.8	54.9	0	0	0	109.4	L710 I711 V731	L710-N729 WeakPolarHBondContact O-CB 3.31Å; L710-N729 PolarHBondContact O-ND2 2.92Å; I711-N729 WeakPolarHBondContact O-CB 3.41Å; I711-N729 PolarHBondContact O-N 3.37Å; N729-V731 PolarHBondContact O-N 3.36Å
730	E	88.9	Confident	89.8	Confident	124 Å²	124	42 Å²	42	58%	0.579	24%	0.238	S	C	*	.	S	Bend	trans	-67	32.4	-176.1	-47.5	-59.4	138.1	0	0	116.4
731	V	94.1	Very high	89.6	Confident	1 Å²	1	42 Å²	42	1%	0.006	24%	0.235	C	C	.	.	S	Bend	trans	-139.1	108.7	178.3	-176.3	0	0	0	0	110.2	L702 N729 H733 V755 L759 Q762	L702-V731 HydrophobicContact CD2-CG1 3.84Å; N729-V731 PolarHBondContact O-N 3.36Å; V731-H733 PolarHBondContact O-ND1 3.22Å; V731-V755 HydrophobicContact CG1-CG2 3.82Å; V731-L759 HydrophobicContact CG1-CD2 4Å; V731-L759 HydrophobicContact CG1-CG 4.06Å; V731-L759 HydrophobicContact CG2-CD2 4.09Å; V731-Q762 HydrophobicContact CG2-CG 4.04Å
732	H	92.9	Very high	89	Confident	106 Å²	106	43.2 Å²	43.2	49%	0.491	23%	0.231	S	C	.	.			trans	-73.6	139.7	-174	-71.7	104.1	0	0	0	113	V755 E758	H732-V755 WeakPolarHBondContact O-CG2 3.25Å; H732-E758 IonicContact CE1-OE1 3.7Å; H732-E758 IonicContact CG-OE1 3.35Å; H732-E758 IonicContact CG-OE2 3.89Å; H732-E758 PolarHBondContact N-OE2 2.68Å; H732-E758 IonicContact ND1-OE1 2.71Å; H732-E758 PolarHBondContact ND1-OE1 3.2Å; H732-E758 IonicContact ND1-OE2 2.76Å
733	H	96	Very high	88.9	Confident	14 Å²	14	43 Å²	43	7%	0.065	24%	0.241	C	C	.	.			trans	-125.4	138.8	179	-74.4	68.4	0	0	0	110.2	Y660 C687 W728 V731 T735	Y660-H733 AromaticContact CE2-CD2 3.67Å; Y660-H733 AromaticContact CE2-NE2 3.61Å; Y660-H733 AromaticContact CZ-NE2 3.73Å; Y660-H733 PolarHBondContact OH-NE2 3.19Å; Y660-H733 VanDerWaalsContact OH-NE2 3.08Å; C687-H733 HydrophobicContact CB-CB 4.21Å; W728-H733 AromaticContact CE3-ND1 3.98Å; W728-H733 HydrophobicContact CH2-CB 3.82Å; W728-H733 AromaticContact CH2-CG 3.84Å; W728-H733 HydrophobicContact CZ2-CB 4.3Å; W728-H733 HydrophobicContact CZ3-CB 3.98Å; W728-H733 AromaticContact CZ3-CG 3.6Å; W728-H733 AromaticContact CZ3-ND1 3.54Å; V731-H733 PolarHBondContact O-ND1 3.22Å; H733-T735 PolarHBondContact O-N 3.32Å
734	K	94.9	Very high	88.7	Confident	11 Å²	11	44.3 Å²	44.3	5%	0.048	24%	0.241	C	C	.	.			trans	-85.2	110.7	173.3	-64.8	-64.8	-169.2	161.8	0	110.2	C687 Y688 G743 H744 G745 Y746 D748 H751	C687-K734 CarbonylContact C-O 3.09Å; C687-K734 WeakPolarHBondContact CA-O 3.41Å; Y688-K734 PolarHBondContact N-O 3.12Å; K734-G743 PolarHBondContact NZ-O 3.11Å; K734-H744 CarbonylContact C-O 3.57Å; K734-H744 WeakPolarHBondContact CA-O 3.4Å; K734-G745 VanDerWaalsContact CD-O 3.31Å; K734-G745 WeakPolarHBondContact CD-O 3.21Å; K734-G745 VanDerWaalsContact CE-O 3.3Å; K734-G745 WeakPolarHBondContact CE-O 3.43Å; K734-G745 PolarHBondContact NZ-O 2.93Å; K734-Y746 HydrophobicContact CB-CD2 3.99Å; K734-Y746 HydrophobicContact CB-CE2 3.36Å; K734-Y746 HydrophobicContact CG-CD2 4.28Å; K734-Y746 HydrophobicContact CG-CE2 3.67Å; K734-D748 WeakPolarHBondContact CE-OD2 3.19Å; K734-D748 IonicContact NZ-OD2 3.5Å; K734-D748 PolarHBondContact NZ-OD2 2.78Å; K734-H751 VanDerWaalsContact CG-CD2 3.41Å; K734-H751 WeakPolarHBondContact CG-CD2 3.42Å; K734-H751 WeakPolarHBondContact CG-NE2 3.31Å
735	T	91.9	Very high	88.5	Confident	50 Å²	50	42.8 Å²	42.8	31%	0.307	23%	0.232	S	C	.	.			trans	-102	-13.8	-174.1	51.2	0	0	0	0	113.6	Y688 W728 H733 H744	Y688-T735 WeakPolarHBondContact CE2-O 3.28Å; W728-T735 HydrophobicContact CZ2-CG2 4.01Å; H733-T735 PolarHBondContact O-N 3.32Å; T735-H744 PolarHBondContact N-O 3.36Å
736	E	87.9	Confident	88.1	Confident	6 Å²	6	42.6 Å²	42.6	3%	0.028	23%	0.231	C	C	.	.			trans	-103.7	132.9	175.4	-174.6	-171.9	168.3	0	0	109.5	L509 S739 N740 L741 T742 H744 G745	L509-E736 HydrophobicContact CD2-CG 3.95Å; E736-S739 VanDerWaalsContact CD-C 3.4Å; E736-S739 VanDerWaalsContact CG-O 3.26Å; E736-S739 WeakPolarHBondContact CG-O 3.48Å; E736-S739 WeakPolarHBondContact OE1-CB 3.42Å; E736-S739 PolarHBondContact OE1-OG 3.23Å; E736-N740 PolarHBondContact OE1-N 2.91Å; E736-L741 PolarHBondContact OE1-N 3.07Å; E736-L741 PolarHBondContact OE2-N 3.42Å; E736-T742 WeakPolarHBondContact OE2-CB 3.46Å; E736-T742 WeakPolarHBondContact OE2-CG2 3.41Å; E736-T742 PolarHBondContact OE2-N 3.5Å; E736-T742 PolarHBondContact OE2-OG1 3.23Å; E736-H744 PolarHBondContact N-O 3Å; E736-H744 VanDerWaalsContact N-O 3.08Å; E736-G745 WeakPolarHBondContact O-CA 3.46Å
737	F	87.4	Confident	87.9	Confident	10 Å²	10	46.1 Å²	46.1	4%	0.044	25%	0.254	C	S	.	.	S	Bend	trans	-87.3	-61	-168.9	177.6	-93.3	0	0	0	114.3	V508 L509 P511 I643 H645 L647 P648 T655 Y688	V508-F737 HydrophobicContact CG1-CD1 4.12Å; L509-F737 PolarHBondContact O-N 3.43Å; L509-F737 VanDerWaalsContact O-N 3.09Å; P511-F737 HydrophobicContact CB-CD1 4.04Å; P511-F737 HydrophobicContact CB-CD2 3.89Å; P511-F737 HydrophobicContact CB-CE1 4.14Å; P511-F737 HydrophobicContact CB-CE2 3.98Å; P511-F737 HydrophobicContact CB-CG 3.94Å; P511-F737 HydrophobicContact CB-CZ 4.13Å; P511-F737 HydrophobicContact CG-CD2 4.32Å; P511-F737 HydrophobicContact CG-CG 4.43Å; I643-F737 HydrophobicContact CD1-CE2 4.12Å; H645-F737 HydrophobicContact CB-CZ 3.75Å; L647-F737 HydrophobicContact CD2-CD2 3.56Å; L647-F737 HydrophobicContact CD2-CE2 3.58Å; L647-F737 HydrophobicContact CD2-CG 4.21Å; L647-F737 HydrophobicContact CD2-CZ 4.24Å; L647-F737 VanDerWaalsContact CD2-O 3.3Å; L647-F737 WeakPolarHBondContact CD2-O 3.37Å; L647-F737 HydrophobicContact CG-CE2 4.29Å; P648-F737 VanDerWaalsContact CD-O 3.28Å; P648-F737 WeakPolarHBondContact CD-O 3.25Å; T655-F737 HydrophobicContact CG2-CD2 4.46Å; T655-F737 HydrophobicContact CG2-CE2 3.97Å; Y688-F737 AromaticContact CD1-CD2 3.79Å; Y688-F737 HydrophobicContact CD1-CD2 3.79Å; Y688-F737 HydrophobicContact CD2-CB 4.01Å; Y688-F737 HydrophobicContact CD2-CD2 4.27Å; Y688-F737 HydrophobicContact CE1-CD2 4.01Å; Y688-F737 HydrophobicContact CE2-CB 3.74Å; Y688-F737 HydrophobicContact CE2-CD2 4.48Å; Y688-F737 AromaticContact CG-CD2 3.93Å; Y688-F737 HydrophobicContact CG-CD2 3.93Å
738	G	81.3	Confident	87.8	Confident	27 Å²	27	46.2 Å²	46.2	28%	0.278	26%	0.255	S	S	.	.	S	Bend	trans	-106.4	7.7	-165.8	0	0	0	0	0	115.1	V508	V508-G738 VanDerWaalsContact O-CA 3.25Å; V508-G738 WeakPolarHBondContact O-CA 3.43Å; V508-G738 PolarHBondContact O-N 2.88Å
739	S	79.8	Confident	87.7	Confident	19 Å²	19	48 Å²	48	13%	0.133	28%	0.278	C	S	.	.			trans	-153.1	174.7	175.2	46.4	0	0	0	0	109.6	E736 G745 Y746	E736-S739 VanDerWaalsContact CD-C 3.4Å; E736-S739 VanDerWaalsContact CG-O 3.26Å; E736-S739 WeakPolarHBondContact CG-O 3.48Å; E736-S739 WeakPolarHBondContact OE1-CB 3.42Å; E736-S739 PolarHBondContact OE1-OG 3.23Å; S739-G745 CarbonylContact O-C 3.58Å; S739-G745 VanDerWaalsContact O-CA 3.29Å; S739-G745 WeakPolarHBondContact O-CA 3.19Å; S739-Y746 CarbonylContact C-O 3.58Å; S739-Y746 VanDerWaalsContact CA-O 3.22Å; S739-Y746 WeakPolarHBondContact CA-O 3.38Å; S739-Y746 PolarHBondContact O-N 3.42Å
740	N	82.7	Confident	87.6	Confident	55 Å²	55	47.4 Å²	47.4	29%	0.294	28%	0.281	S	S	.	.			trans	-130.3	35.7	179.9	-164.5	9.5	0	0	0	111.2	E736 T742 G743 H744 G745 Y746 P747	E736-N740 PolarHBondContact OE1-N 2.91Å; N740-T742 PolarHBondContact O-N 3.19Å; N740-G743 PolarHBondContact O-N 2.99Å; N740-G743 WeakPolarHBondContact OD1-CA 3.37Å; N740-G743 PolarHBondContact OD1-O 2.69Å; N740-G743 VanDerWaalsContact OD1-O 3.11Å; N740-H744 PolarHBondContact OD1-N 3.36Å; N740-G745 VanDerWaalsContact CG-C 3.42Å; N740-G745 PolarHBondContact ND2-O 3.3Å; N740-G745 WeakPolarHBondContact OD1-CA 3.49Å; N740-G745 PolarHBondContact OD1-N 3.44Å; N740-G745 PolarHBondContact OD1-O 3.4Å; N740-Y746 PolarHBondContact N-O 3.1Å; N740-P747 PolarHBondContact ND2-O 2.82Å; N740-P747 VanDerWaalsContact ND2-O 3.16Å
741	L	73.5	Confident	87.9	Confident	95 Å²	95	41.9 Å²	41.9	50%	0.497	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-25.4	-177.2	-68.2	178.8	0	0	0	112.6	L507 E736	L507-L741 HydrophobicContact CD1-CD1 3.83Å; L507-L741 HydrophobicContact CD2-CD1 3.69Å; L507-L741 HydrophobicContact CG-CD1 4.38Å; E736-L741 PolarHBondContact OE1-N 3.07Å; E736-L741 PolarHBondContact OE2-N 3.42Å
742	T	76	Confident	87.9	Confident	79 Å²	79	42.3 Å²	42.3	49%	0.485	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-5.3	176.9	62	0	0	0	0	113.7	E736 N740 H744	E736-T742 WeakPolarHBondContact OE2-CB 3.46Å; E736-T742 WeakPolarHBondContact OE2-CG2 3.41Å; E736-T742 PolarHBondContact OE2-N 3.5Å; E736-T742 PolarHBondContact OE2-OG1 3.23Å; N740-T742 PolarHBondContact O-N 3.19Å; T742-H744 PolarHBondContact O-CD2 3.18Å; T742-H744 VanDerWaalsContact O-CD2 3.23Å; T742-H744 PolarHBondContact O-N 2.7Å; T742-H744 VanDerWaalsContact O-N 3.12Å; T742-H744 PolarHBondContact OG1-N 3.24Å; T742-H744 VanDerWaalsContact OG1-N 3.15Å
743	G	83.4	Confident	88	Confident	43 Å²	43	41.2 Å²	41.2	44%	0.443	26%	0.255	S	S	.	.	S	Bend	trans	72.9	-16.9	-164	0	0	0	0	0	114.2	K734 N740	K734-G743 PolarHBondContact NZ-O 3.11Å; N740-G743 PolarHBondContact O-N 2.99Å; N740-G743 WeakPolarHBondContact OD1-CA 3.37Å; N740-G743 PolarHBondContact OD1-O 2.69Å; N740-G743 VanDerWaalsContact OD1-O 3.11Å
744	H	88.1	Confident	88	Confident	91 Å²	91	44.9 Å²	44.9	42%	0.421	28%	0.275	S	S	.	.	S	Bend	trans	-99.4	31.4	179.5	-54.8	-68.4	0	0	0	112.3	K734 T735 E736 N740 T742	K734-H744 CarbonylContact C-O 3.57Å; K734-H744 WeakPolarHBondContact CA-O 3.4Å; T735-H744 PolarHBondContact N-O 3.36Å; E736-H744 PolarHBondContact N-O 3Å; E736-H744 VanDerWaalsContact N-O 3.08Å; N740-H744 PolarHBondContact OD1-N 3.36Å; T742-H744 PolarHBondContact O-CD2 3.18Å; T742-H744 VanDerWaalsContact O-CD2 3.23Å; T742-H744 PolarHBondContact O-N 2.7Å; T742-H744 VanDerWaalsContact O-N 3.12Å; T742-H744 PolarHBondContact OG1-N 3.24Å; T742-H744 VanDerWaalsContact OG1-N 3.15Å
745	G	89.6	Confident	88	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-134.2	-160.6	178.4	0	0	0	0	0	115.6	K734 E736 S739 N740	K734-G745 VanDerWaalsContact CD-O 3.31Å; K734-G745 WeakPolarHBondContact CD-O 3.21Å; K734-G745 VanDerWaalsContact CE-O 3.3Å; K734-G745 WeakPolarHBondContact CE-O 3.43Å; K734-G745 PolarHBondContact NZ-O 2.93Å; E736-G745 WeakPolarHBondContact O-CA 3.46Å; S739-G745 CarbonylContact O-C 3.58Å; S739-G745 VanDerWaalsContact O-CA 3.29Å; S739-G745 WeakPolarHBondContact O-CA 3.19Å; N740-G745 VanDerWaalsContact CG-C 3.42Å; N740-G745 PolarHBondContact ND2-O 3.3Å; N740-G745 WeakPolarHBondContact OD1-CA 3.49Å; N740-G745 PolarHBondContact OD1-N 3.44Å; N740-G745 PolarHBondContact OD1-O 3.4Å
746	Y	87	Confident	88.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-123.4	148.4	-174.3	-74.8	-90.3	0	0	0	111.6	L647 Y688 K734 S739 N740 H751	L647-Y746 HydrophobicContact CB-CD1 4.39Å; L647-Y746 HydrophobicContact CB-CG 4.3Å; L647-Y746 HydrophobicContact CD1-CD1 4.3Å; L647-Y746 HydrophobicContact CD1-CD2 3.97Å; L647-Y746 HydrophobicContact CD1-CE1 3.98Å; L647-Y746 HydrophobicContact CD1-CE2 3.6Å; L647-Y746 HydrophobicContact CD1-CG 4.29Å; L647-Y746 HydrophobicContact CD2-CD2 3.72Å; L647-Y746 HydrophobicContact CD2-CE2 4.08Å; L647-Y746 HydrophobicContact CD2-CG 4.18Å; L647-Y746 HydrophobicContact CG-CD2 4.31Å; L647-Y746 HydrophobicContact CG-CE2 4.4Å; L647-Y746 HydrophobicContact CG-CG 4.49Å; Y688-Y746 WeakPolarHBondContact O-CE2 3.33Å; Y688-Y746 PolarHBondContact O-OH 2.74Å; K734-Y746 HydrophobicContact CB-CD2 3.99Å; K734-Y746 HydrophobicContact CB-CE2 3.36Å; K734-Y746 HydrophobicContact CG-CD2 4.28Å; K734-Y746 HydrophobicContact CG-CE2 3.67Å; S739-Y746 CarbonylContact C-O 3.58Å; S739-Y746 VanDerWaalsContact CA-O 3.22Å; S739-Y746 WeakPolarHBondContact CA-O 3.38Å; S739-Y746 PolarHBondContact O-N 3.42Å; N740-Y746 PolarHBondContact N-O 3.1Å; Y746-H751 PolarHBondContact OH-CD2 3.25Å
747	P	91	Very high	88.5	Confident	76 Å²	76	47.8 Å²	47.8	49%	0.494	29%	0.286	S	S	.	.			cis	-78.7	146.7	8.6	31.9	-34.9	0	0	0	112.8	P648 N740	P648-P747 HydrophobicContact CB-CB 4.25Å; P648-P747 HydrophobicContact CB-CG 4.45Å; P648-P747 WeakPolarHBondContact O-CA 3.39Å; N740-P747 PolarHBondContact ND2-O 2.82Å; N740-P747 VanDerWaalsContact ND2-O 3.16Å
748	D	92.3	Very high	88.8	Confident	41 Å²	41	49.4 Å²	49.4	22%	0.219	29%	0.293	C	S	.	.			trans	-151.1	100.1	170.3	-176.5	-22.5	0	0	0	108.3	K734 G750 H751	K734-D748 WeakPolarHBondContact CE-OD2 3.19Å; K734-D748 IonicContact NZ-OD2 3.5Å; K734-D748 PolarHBondContact NZ-OD2 2.78Å; D748-G750 VanDerWaalsContact C-N 3.27Å; D748-G750 PolarHBondContact O-N 2.88Å; D748-G750 PolarHBondContact OD1-N 2.75Å; D748-H751 HydrophobicContact CB-CB 4.04Å; D748-H751 PolarHBondContact OD1-N 2.88Å
749	P	90.3	Very high	89.4	Confident	122 Å²	122	48.1 Å²	48.1	79%	0.792	28%	0.28	S	S	*	.	S	Bend	trans	-66.5	-25.5	180	-22.6	34.6	0	0	0	114.1
750	G	91.5	Very high	89.9	Confident	26 Å²	26	54.1 Å²	54.1	27%	0.268	30%	0.3	S	S	.	.	S	Bend	trans	-88.4	-22.1	-175	0	0	0	0	0	113.9	D748 L752 D753 N754	D748-G750 VanDerWaalsContact C-N 3.27Å; D748-G750 PolarHBondContact O-N 2.88Å; D748-G750 PolarHBondContact OD1-N 2.75Å; G750-L752 VanDerWaalsContact C-N 3.28Å; G750-L752 PolarHBondContact O-N 2.88Å; G750-L752 VanDerWaalsContact O-N 3.13Å; G750-D753 PolarHBondContact O-N 2.87Å; G750-N754 VanDerWaalsContact O-CG 3.3Å; G750-N754 PolarHBondContact O-N 2.78Å; G750-N754 PolarHBondContact O-OD1 3.04Å
751	H	94.4	Very high	90.3	Very high	8 Å²	8	53.7 Å²	53.7	4%	0.037	30%	0.304	C	S	.	.	H	α-helix	trans	-49.9	-43.5	-174.5	172.4	48.5	0	0	0	114.1	K734 Y746 D748 D753 N754 V755	K734-H751 VanDerWaalsContact CG-CD2 3.41Å; K734-H751 WeakPolarHBondContact CG-CD2 3.42Å; K734-H751 WeakPolarHBondContact CG-NE2 3.31Å; Y746-H751 PolarHBondContact OH-CD2 3.25Å; D748-H751 HydrophobicContact CB-CB 4.04Å; D748-H751 PolarHBondContact OD1-N 2.88Å; H751-D753 VanDerWaalsContact C-N 3.28Å; H751-D753 PolarHBondContact O-N 2.8Å; H751-N754 PolarHBondContact O-N 3.36Å; H751-V755 WeakPolarHBondContact O-CB 3.38Å; H751-V755 VanDerWaalsContact O-CG1 3.28Å; H751-V755 WeakPolarHBondContact O-CG1 3.48Å; H751-V755 PolarHBondContact O-N 3.21Å
752	L	95	Very high	91	Very high	10 Å²	10	49.9 Å²	49.9	5%	0.052	28%	0.284	C	S	.	.	H	α-helix	trans	-71	-19.7	-177.5	-66.1	-177.1	0	0	0	114.1	L689 P690 K694 V698 G750 L756	L689-L752 HydrophobicContact CD2-CD2 3.97Å; P690-L752 HydrophobicContact CG-CD1 3.8Å; P690-L752 HydrophobicContact CG-CD2 4.47Å; K694-L752 HydrophobicContact CB-CD1 4.26Å; K694-L752 HydrophobicContact CD-CB 3.88Å; K694-L752 HydrophobicContact CD-CD1 4.09Å; K694-L752 HydrophobicContact CG-CB 4.19Å; K694-L752 HydrophobicContact CG-CD1 4.17Å; V698-L752 HydrophobicContact CG2-CD2 4.26Å; G750-L752 VanDerWaalsContact C-N 3.28Å; G750-L752 PolarHBondContact O-N 2.88Å; G750-L752 VanDerWaalsContact O-N 3.13Å; L752-L756 VanDerWaalsContact O-CD1 3.25Å; L752-L756 WeakPolarHBondContact O-CD1 3.44Å; L752-L756 WeakPolarHBondContact O-CG 3.02Å
753	D	94.9	Very high	91.6	Very high	83 Å²	83	47.1 Å²	47.1	44%	0.444	27%	0.271	S	S	.	.	H	α-helix	trans	-88.4	-45.3	172.1	-68.9	-75.9	0	0	0	110.3	K694 G750 H751 V755 L756 E757	K694-D753 WeakPolarHBondContact CE-OD1 3.4Å; K694-D753 IonicContact NZ-OD1 3.45Å; K694-D753 PolarHBondContact NZ-OD1 3.24Å; K694-D753 IonicContact NZ-OD2 3.79Å; K694-D753 PolarHBondContact NZ-OD2 2.84Å; G750-D753 PolarHBondContact O-N 2.87Å; H751-D753 VanDerWaalsContact C-N 3.28Å; H751-D753 PolarHBondContact O-N 2.8Å; D753-V755 VanDerWaalsContact C-N 3.33Å; D753-V755 PolarHBondContact O-N 3.43Å; D753-L756 WeakPolarHBondContact O-CB 3.09Å; D753-L756 PolarHBondContact O-N 3.25Å; D753-L756 VanDerWaalsContact O-N 3.12Å; D753-E757 PolarHBondContact O-N 3.48Å
754	N	95.4	Very high	91.9	Very high	91 Å²	91	45.2 Å²	45.2	49%	0.487	25%	0.25	S	S	.	.	H	α-helix	trans	-56.6	-45.7	177.7	-63.6	-9.9	0	0	0	111.6	G750 H751 L756 E757 E758	G750-N754 VanDerWaalsContact O-CG 3.3Å; G750-N754 PolarHBondContact O-N 2.78Å; G750-N754 PolarHBondContact O-OD1 3.04Å; H751-N754 PolarHBondContact O-N 3.36Å; N754-L756 VanDerWaalsContact C-N 3.34Å; N754-L756 PolarHBondContact O-N 3.43Å; N754-E757 PolarHBondContact O-N 2.97Å; N754-E758 WeakPolarHBondContact O-CB 3.01Å; N754-E758 VanDerWaalsContact O-CG 3.28Å; N754-E758 WeakPolarHBondContact O-CG 3.48Å; N754-E758 PolarHBondContact O-N 3.44Å
755	V	95.4	Very high	91.8	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-70.6	-28.3	179.9	76.5	0	0	0	0	112.8	V698 V731 H732 H751 D753 L759	V698-V755 HydrophobicContact CB-CG1 4.42Å; V698-V755 HydrophobicContact CG1-CG1 3.67Å; V698-V755 HydrophobicContact CG1-CG2 4.48Å; V698-V755 HydrophobicContact CG2-CG1 3.76Å; V731-V755 HydrophobicContact CG1-CG2 3.82Å; H732-V755 WeakPolarHBondContact O-CG2 3.25Å; H751-V755 WeakPolarHBondContact O-CB 3.38Å; H751-V755 VanDerWaalsContact O-CG1 3.28Å; H751-V755 WeakPolarHBondContact O-CG1 3.48Å; H751-V755 PolarHBondContact O-N 3.21Å; D753-V755 VanDerWaalsContact C-N 3.33Å; D753-V755 PolarHBondContact O-N 3.43Å; V755-L759 HydrophobicContact CG2-CD1 4.31Å; V755-L759 WeakPolarHBondContact O-CB 3.4Å; V755-L759 VanDerWaalsContact O-CD1 3.29Å; V755-L759 WeakPolarHBondContact O-CD1 3.49Å; V755-L759 WeakPolarHBondContact O-CG 3.35Å; V755-L759 PolarHBondContact O-N 3.1Å
756	L	94.9	Very high	91.1	Very high	31 Å²	31	47.7 Å²	47.7	16%	0.162	27%	0.266	C	S	.	.	H	α-helix	trans	-68.5	-41.8	171.7	-74.3	172.9	0	0	0	110.8	K694 K697 V698 L701 L752 D753 N754 L759 R760	K694-L756 HydrophobicContact CG-CD1 4.49Å; K697-L756 HydrophobicContact CG-CD2 4.33Å; V698-L756 HydrophobicContact CG2-CD1 4.44Å; V698-L756 HydrophobicContact CG2-CD2 3.72Å; V698-L756 HydrophobicContact CG2-CG 3.82Å; L701-L756 HydrophobicContact CD1-CD2 3.4Å; L752-L756 VanDerWaalsContact O-CD1 3.25Å; L752-L756 WeakPolarHBondContact O-CD1 3.44Å; L752-L756 WeakPolarHBondContact O-CG 3.02Å; D753-L756 WeakPolarHBondContact O-CB 3.09Å; D753-L756 PolarHBondContact O-N 3.25Å; D753-L756 VanDerWaalsContact O-N 3.12Å; N754-L756 VanDerWaalsContact C-N 3.34Å; N754-L756 PolarHBondContact O-N 3.43Å; L756-L759 PolarHBondContact O-N 3.21Å; L756-R760 WeakPolarHBondContact O-CB 3.49Å; L756-R760 PolarHBondContact O-N 3.45Å
757	E	93.9	Very high	90.2	Very high	96 Å²	96	54.8 Å²	54.8	45%	0.449	30%	0.299	S	S	.	.	H	α-helix	trans	-68.4	-38.9	176.8	-179.1	58.2	-165.1	0	0	112.1	D753 N754 R760 A761	D753-E757 PolarHBondContact O-N 3.48Å; N754-E757 PolarHBondContact O-N 2.97Å; E757-R760 WeakPolarHBondContact O-CB 3.5Å; E757-R760 PolarHBondContact O-N 3.47Å; E757-R760 IonicContact OE1-CZ 3.22Å; E757-R760 IonicContact OE1-NE 2.64Å; E757-R760 IonicContact OE1-NH2 2.75Å; E757-R760 PolarHBondContact OE1-NH2 3.45Å; E757-R760 IonicContact OE2-CZ 3.96Å; E757-R760 IonicContact OE2-NE 2.69Å; E757-R760 PolarHBondContact OE2-NE 2.92Å; E757-R760 IonicContact OE2-NH2 2.75Å; E757-R760 PolarHBondContact OE2-NH2 3.29Å; E757-A761 WeakPolarHBondContact O-CB 3.45Å; E757-A761 PolarHBondContact O-N 3.05Å
758	E	94.3	Very high	88.8	Confident	43 Å²	43	53.1 Å²	53.1	20%	0.201	28%	0.284	C	S	.	.	H	α-helix	trans	-60.3	-46.7	171.5	-74.3	166.1	-170.8	0	0	111.8	H732 N754 R760 A761 Q762	H732-E758 IonicContact CE1-OE1 3.7Å; H732-E758 IonicContact CG-OE1 3.35Å; H732-E758 IonicContact CG-OE2 3.89Å; H732-E758 PolarHBondContact N-OE2 2.68Å; H732-E758 IonicContact ND1-OE1 2.71Å; H732-E758 PolarHBondContact ND1-OE1 3.2Å; H732-E758 IonicContact ND1-OE2 2.76Å; N754-E758 WeakPolarHBondContact O-CB 3.01Å; N754-E758 VanDerWaalsContact O-CG 3.28Å; N754-E758 WeakPolarHBondContact O-CG 3.48Å; N754-E758 PolarHBondContact O-N 3.44Å; E758-R760 PolarHBondContact O-N 3.45Å; E758-A761 CarbonylContact O-C 3.53Å; E758-A761 PolarHBondContact O-N 2.71Å; E758-Q762 WeakPolarHBondContact O-CG 3.4Å; E758-Q762 PolarHBondContact O-N 2.88Å
759	L	93.6	Very high	87.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.7	-41.8	176	-74.5	163.5	0	0	0	111.4	L701 L702 A705 V731 V755 L756 A761 Q762 G763 I764	L701-L759 HydrophobicContact CB-CD1 3.83Å; L702-L759 HydrophobicContact CD2-CD1 4.19Å; L702-L759 HydrophobicContact CD2-CD2 4.24Å; L702-L759 HydrophobicContact CG-CD1 4.3Å; A705-L759 HydrophobicContact CB-CD2 3.78Å; V731-L759 HydrophobicContact CG1-CD2 4Å; V731-L759 HydrophobicContact CG1-CG 4.06Å; V731-L759 HydrophobicContact CG2-CD2 4.09Å; V755-L759 HydrophobicContact CG2-CD1 4.31Å; V755-L759 WeakPolarHBondContact O-CB 3.4Å; V755-L759 VanDerWaalsContact O-CD1 3.29Å; V755-L759 WeakPolarHBondContact O-CD1 3.49Å; V755-L759 WeakPolarHBondContact O-CG 3.35Å; V755-L759 PolarHBondContact O-N 3.1Å; L756-L759 PolarHBondContact O-N 3.21Å; L759-A761 VanDerWaalsContact C-N 3.33Å; L759-A761 PolarHBondContact O-N 3.05Å; L759-Q762 CarbonylContact O-C 3.49Å; L759-Q762 PolarHBondContact O-N 3.25Å; L759-Q762 VanDerWaalsContact O-N 3.12Å; L759-G763 PolarHBondContact O-N 2.86Å; L759-I764 HydrophobicContact CD2-CD1 3.98Å; L759-I764 WeakPolarHBondContact O-CB 3.44Å; L759-I764 PolarHBondContact O-N 3.25Å
760	R	91.5	Very high	85.2	Confident	145 Å²	145	52.8 Å²	52.8	55%	0.547	28%	0.276	S	S	.	.	H	α-helix	trans	-61	-40.9	173.2	-164.2	-171.6	72.2	80	1.8	111.7	L756 E757 E758 Q762 G763	L756-R760 WeakPolarHBondContact O-CB 3.49Å; L756-R760 PolarHBondContact O-N 3.45Å; E757-R760 WeakPolarHBondContact O-CB 3.5Å; E757-R760 PolarHBondContact O-N 3.47Å; E757-R760 IonicContact OE1-CZ 3.22Å; E757-R760 IonicContact OE1-NE 2.64Å; E757-R760 IonicContact OE1-NH2 2.75Å; E757-R760 PolarHBondContact OE1-NH2 3.45Å; E757-R760 IonicContact OE2-CZ 3.96Å; E757-R760 IonicContact OE2-NE 2.69Å; E757-R760 PolarHBondContact OE2-NE 2.92Å; E757-R760 IonicContact OE2-NH2 2.75Å; E757-R760 PolarHBondContact OE2-NH2 3.29Å; E758-R760 PolarHBondContact O-N 3.45Å; R760-Q762 VanDerWaalsContact C-N 3.27Å; R760-Q762 PolarHBondContact O-N 3.43Å; R760-G763 WeakPolarHBondContact O-CA 3.49Å; R760-G763 PolarHBondContact O-N 3.22Å
761	A	89.5	Confident	82.9	Confident	47 Å²	47	56.9 Å²	56.9	39%	0.388	30%	0.296	S	S	.	.	H	α-helix	trans	-69.2	-20.4	175.6	0	0	0	0	0	113.7	I625 E757 E758 L759 G763	I625-A761 VanDerWaalsContact CD1-O 3.28Å; I625-A761 WeakPolarHBondContact CD1-O 3.25Å; E757-A761 WeakPolarHBondContact O-CB 3.45Å; E757-A761 PolarHBondContact O-N 3.05Å; E758-A761 CarbonylContact O-C 3.53Å; E758-A761 PolarHBondContact O-N 2.71Å; L759-A761 VanDerWaalsContact C-N 3.33Å; L759-A761 PolarHBondContact O-N 3.05Å; A761-G763 VanDerWaalsContact C-N 3.29Å
762	Q	89.9	Confident	80.6	Confident	15 Å²	15	62.6 Å²	62.6	7%	0.07	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	3.6	166	-58.6	-41.2	-50.8	0	0	113.9	L710 V731 E758 L759 R760 I764	L710-Q762 HydrophobicContact CD1-CB 4.33Å; V731-Q762 HydrophobicContact CG2-CG 4.04Å; E758-Q762 WeakPolarHBondContact O-CG 3.4Å; E758-Q762 PolarHBondContact O-N 2.88Å; L759-Q762 CarbonylContact O-C 3.49Å; L759-Q762 PolarHBondContact O-N 3.25Å; L759-Q762 VanDerWaalsContact O-N 3.12Å; R760-Q762 VanDerWaalsContact C-N 3.27Å; R760-Q762 PolarHBondContact O-N 3.43Å; Q762-I764 HydrophobicContact CB-CD1 4.45Å; Q762-I764 HydrophobicContact CB-CG1 4.45Å
763	G	88	Confident	77.7	Confident	20 Å²	20	70.6 Å²	70.6	21%	0.206	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	42.1	-179.8	0	0	0	0	0	112.2	R708 L759 R760 A761	R708-G763 PolarHBondContact NH1-O 2.99Å; L759-G763 PolarHBondContact O-N 2.86Å; R760-G763 WeakPolarHBondContact O-CA 3.49Å; R760-G763 PolarHBondContact O-N 3.22Å; A761-G763 VanDerWaalsContact C-N 3.29Å
764	I	89.5	Confident	76.9	Confident	3 Å²	3	70 Å²	70	2%	0.015	36%	0.356	C	S	.	.			trans	-121.3	116.4	176.5	-51.1	178.7	0	0	0	108.7	L701 V704 A705 L710 L759 Q762 E768	L701-I764 HydrophobicContact CB-CG2 4.41Å; L701-I764 HydrophobicContact CD2-CG2 3.93Å; V704-I764 HydrophobicContact CB-CG2 4Å; V704-I764 HydrophobicContact CG1-CG2 3.82Å; A705-I764 VanDerWaalsContact CA-CD1 3.48Å; A705-I764 HydrophobicContact CB-CD1 3.39Å; L710-I764 HydrophobicContact CD1-CD1 3.92Å; L710-I764 HydrophobicContact CD1-CG1 4.41Å; L759-I764 HydrophobicContact CD2-CD1 3.98Å; L759-I764 WeakPolarHBondContact O-CB 3.44Å; L759-I764 PolarHBondContact O-N 3.25Å; Q762-I764 HydrophobicContact CB-CD1 4.45Å; Q762-I764 HydrophobicContact CB-CG1 4.45Å; I764-E768 WeakPolarHBondContact CA-OE2 3.26Å
765	T	85.6	Confident	75.9	Confident	47 Å²	47	68.8 Å²	68.8	29%	0.288	35%	0.349	S	S	.	.			trans	-124.5	162.9	-176.2	58	0	0	0	0	111.3	E767 E768	T765-E767 VanDerWaalsContact C-N 3.25Å; T765-E767 PolarHBondContact O-N 3.48Å; T765-E768 PolarHBondContact N-OE2 3.03Å; T765-E768 WeakPolarHBondContact O-CB 3.49Å; T765-E768 PolarHBondContact O-N 3.25Å; T765-E768 VanDerWaalsContact O-N 3.1Å
766	E	75.7	Confident	74.8	Confident	97 Å²	97	72.6 Å²	72.6	45%	0.453	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-66.8	-27.5	-175.8	-66.4	173.9	-113.8	0	0	113.4	K697 L701 E768 C769 L770	K697-E766 WeakPolarHBondContact CD-OE2 3.2Å; K697-E766 WeakPolarHBondContact CE-OE1 3.3Å; K697-E766 WeakPolarHBondContact CE-OE2 3.42Å; K697-E766 IonicContact NZ-OE1 3.96Å; K697-E766 PolarHBondContact NZ-OE1 3.49Å; K697-E766 IonicContact NZ-OE2 2.67Å; K697-E766 PolarHBondContact NZ-OE2 3.02Å; L701-E766 HydrophobicContact CD1-CG 4.31Å; L701-E766 HydrophobicContact CD2-CG 4.32Å; E766-E768 PolarHBondContact O-N 2.83Å; E766-C769 WeakPolarHBondContact O-CB 3.44Å; E766-C769 PolarHBondContact O-N 2.85Å; E766-L770 PolarHBondContact O-N 3.05Å
767	E	66.8	Low	73.6	Confident	148 Å²	148	75.1 Å²	75.1	69%	0.692	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-52.7	-32.4	170.7	-63.7	158.4	-165.6	0	0	112.2	T765 L770	T765-E767 VanDerWaalsContact C-N 3.25Å; T765-E767 PolarHBondContact O-N 3.48Å; E767-L770 PolarHBondContact O-N 3.47Å
768	E	62.2	Low	72.3	Confident	41 Å²	41	73.8 Å²	73.8	19%	0.192	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-82.7	-12.4	-178.1	-51	-175.1	126.6	0	0	113.4	R708 I764 T765 E766 T771	R708-E768 VanDerWaalsContact CZ-CD 3.46Å; R708-E768 IonicContact CZ-OE1 2.77Å; R708-E768 IonicContact CZ-OE2 3.72Å; R708-E768 IonicContact NH1-OE1 3.24Å; R708-E768 PolarHBondContact NH1-OE1 3.11Å; R708-E768 IonicContact NH1-OE2 2.72Å; R708-E768 PolarHBondContact NH1-OE2 2.9Å; R708-E768 IonicContact NH2-OE1 3.11Å; R708-E768 PolarHBondContact NH2-OE1 3.44Å; R708-E768 IonicContact NH2-OE2 3.7Å; R708-E768 PolarHBondContact NH2-OE2 3.29Å; R708-E768 VanDerWaalsContact NH2-OE2 3.11Å; I764-E768 WeakPolarHBondContact CA-OE2 3.26Å; T765-E768 PolarHBondContact N-OE2 3.03Å; T765-E768 WeakPolarHBondContact O-CB 3.49Å; T765-E768 PolarHBondContact O-N 3.25Å; T765-E768 VanDerWaalsContact O-N 3.1Å; E766-E768 PolarHBondContact O-N 2.83Å; E768-T771 PolarHBondContact O-OG1 3.15Å
769	C	57.3	Low	70.9	Confident	16 Å²	16	75.8 Å²	75.8	11%	0.108	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-40	167.8	-66.9	0	0	0	0	110.8	E766 T771 R772	E766-C769 WeakPolarHBondContact O-CB 3.44Å; E766-C769 PolarHBondContact O-N 2.85Å; C769-T771 PolarHBondContact O-N 3.38Å; C769-R772 PolarHBondContact O-N 3.34Å
770	L	50.2	Low	69.3	Low	141 Å²	141	81.2 Å²	81.2	74%	0.738	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-2.6	-175	-64.9	174.6	0	0	0	115.2	E766 E767	E766-L770 PolarHBondContact O-N 3.05Å; E767-L770 PolarHBondContact O-N 3.47Å
771	T	43.6	Very low	67.6	Low	112 Å²	112	76.3 Å²	76.3	69%	0.687	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	11.2	-179.2	48.5	0	0	0	0	113.2	E768 C769	E768-T771 PolarHBondContact O-OG1 3.15Å; C769-T771 PolarHBondContact O-N 3.38Å
772	R	44.8	Very low	65.7	Low	128 Å²	128	78.8 Å²	78.8	48%	0.483	41%	0.407	S	S	.	.			trans	-142	-0	-172.3	-71	-172.8	63.5	-163	-0.4	116.3	D707 C769	D707-R772 IonicContact OD2-CZ 2.65Å; D707-R772 VanDerWaalsContact OD2-CZ 3.23Å; D707-R772 IonicContact OD2-NH1 2.75Å; D707-R772 PolarHBondContact OD2-NH1 3.24Å; D707-R772 IonicContact OD2-NH2 3.23Å; D707-R772 PolarHBondContact OD2-NH2 3.12Å; C769-R772 PolarHBondContact O-N 3.34Å
773	D	35.2	Very low	63.5	Low	177 Å²	177	84.5 Å²	84.5	95%	0.947	44%	0.437	S	S	*	.			trans	-91.7	0	165.2	-68.1	-31.1	0	0	0	109.4

Retrieved 773 of 773 residues in 775.6 ms (Link to these results)

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