A0A093HEA8_STRCA Loading...

BTB domain-containing protein

AlphaFold DB , UniProt , Accession A0A093HEA8, Species STRCA (Struthio camelus australis), Gene n/a, Length 641 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	43.8	Very low	70.7	Confident	240 Å²	240	146.2 Å²	146.2	100%	1.182	75%	0.75	S	S	*	*				0	112.2	0	-99.3	179.2	-98.1	0	0	106.9	P3	M1-P3 VanDerWaalsContact O-CD 3.24Å; M1-P3 WeakPolarHBondContact O-CD 3.42Å
2	I	51.3	Low	72.2	Confident	138 Å²	138	148.3 Å²	148.3	71%	0.708	76%	0.755	S	S	*	*			trans	-71.9	110.8	173	-56	167	0	0	0	105.6	N4 G5	I2-N4 PolarHBondContact O-N 3.41Å; I2-N4 VanDerWaalsContact O-N 3.12Å; I2-G5 VanDerWaalsContact CG2-N 3.31Å
3	P	49.2	Very low	73.6	Confident	114 Å²	114	145.5 Å²	145.5	74%	0.74	74%	0.742	S	S	*	*	S	Bend	trans	-77.9	101	169	7.7	12.2	0	0	0	105.3	M1	M1-P3 VanDerWaalsContact O-CD 3.24Å; M1-P3 WeakPolarHBondContact O-CD 3.42Å
4	N	57.7	Low	74.8	Confident	142 Å²	142	144.7 Å²	144.7	76%	0.759	73%	0.732	S	S	*	*	S	Bend	trans	88.8	33.2	168.5	-50.1	-22	0	0	0	120.2	I2 Y6	I2-N4 PolarHBondContact O-N 3.41Å; I2-N4 VanDerWaalsContact O-N 3.12Å; N4-Y6 WeakPolarHBondContact O-CD2 3.48Å; N4-Y6 PolarHBondContact O-N 2.78Å
5	G	68.8	Low	75.5	Confident	59 Å²	59	143.3 Å²	143.3	61%	0.608	73%	0.725	S	S	*	*	S	Bend	trans	61.3	11.6	148.8	0	0	0	0	0	121.5	I2	I2-G5 VanDerWaalsContact CG2-N 3.31Å
6	Y	74.2	Confident	76.2	Confident	203 Å²	203	143.6 Å²	143.6	80%	0.796	72%	0.723	S	S	*	*			trans	-132.8	149.3	176.2	-59.4	-78.4	0	0	0	113	N4	N4-Y6 WeakPolarHBondContact O-CD2 3.48Å; N4-Y6 PolarHBondContact O-N 2.78Å
7	L	82.8	Confident	76.9	Confident	170 Å²	170	138.1 Å²	138.1	89%	0.89	70%	0.701	S	S	*	*			trans	-82.9	115.8	168.3	176.1	68	0	0	0	108.9
8	M	82.4	Confident	77.6	Confident	149 Å²	149	132.2 Å²	132.2	73%	0.734	68%	0.675	S	S	*	*			trans	-104.5	126.6	172.9	-66.1	-65.9	-67.6	0	0	109
9	F	88	Confident	78.2	Confident	169 Å²	169	127.8 Å²	127.8	74%	0.741	66%	0.655	S	S	*	*			trans	-129.8	124.6	173.1	170.3	-108.2	0	0	0	108.7	D11	F9-D11 HydrophobicContact CE1-CB 3.76Å; F9-D11 HydrophobicContact CZ-CB 3.84Å
10	E	88.7	Confident	78.7	Confident	151 Å²	151	124.5 Å²	124.5	71%	0.706	65%	0.647	S	S	*	*			trans	-115.8	114.5	177.5	-68.2	179.2	-174	0	0	108.1
11	D	91.3	Very high	79.4	Confident	73 Å²	73	124.9 Å²	124.9	39%	0.39	64%	0.644	S	S	.	*			trans	-91.9	98.4	173.8	-176.6	-3.3	0	0	0	109.5	F9 N13 F14	F9-D11 HydrophobicContact CE1-CB 3.76Å; F9-D11 HydrophobicContact CZ-CB 3.84Å; D11-N13 PolarHBondContact O-N 3.08Å; D11-N13 PolarHBondContact OD1-N 3.46Å; D11-F14 HydrophobicContact CB-CB 3.93Å; D11-F14 WeakPolarHBondContact O-CB 3.47Å; D11-F14 PolarHBondContact O-N 3.45Å; D11-F14 PolarHBondContact OD1-N 3.04Å
12	E	88.4	Confident	81.8	Confident	172 Å²	172	116.6 Å²	116.6	80%	0.804	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-25.3	-179.3	-62.2	-176.2	173	0	0	112.7
13	N	90.6	Very high	83.8	Confident	111 Å²	111	111.1 Å²	111.1	59%	0.594	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-15.3	-177.5	-61.2	-56.8	0	0	0	113.2	D11 I15 E16 S17	D11-N13 PolarHBondContact O-N 3.08Å; D11-N13 PolarHBondContact OD1-N 3.46Å; N13-I15 VanDerWaalsContact C-N 3.29Å; N13-I15 PolarHBondContact O-N 3.46Å; N13-E16 PolarHBondContact O-N 3.17Å; N13-S17 WeakPolarHBondContact O-CB 3.37Å; N13-S17 PolarHBondContact O-N 3.07Å
14	F	90.4	Very high	86	Confident	135 Å²	135	108.5 Å²	108.5	59%	0.592	56%	0.564	S	S	*	*	H	α-helix	trans	-60	-40.6	-174.3	-179.1	-100.8	0	0	0	112.1	D11 S18	D11-F14 HydrophobicContact CB-CB 3.93Å; D11-F14 WeakPolarHBondContact O-CB 3.47Å; D11-F14 PolarHBondContact O-N 3.45Å; D11-F14 PolarHBondContact OD1-N 3.04Å; F14-S18 WeakPolarHBondContact O-CB 3.31Å; F14-S18 PolarHBondContact O-N 2.72Å; F14-S18 PolarHBondContact O-OG 3.24Å
15	I	85.6	Confident	87.8	Confident	124 Å²	124	104.1 Å²	104.1	64%	0.636	54%	0.54	S	S	*	.	H	α-helix	trans	-66.3	-49.9	-178.5	-62.1	176.2	0	0	0	110.4	N13 S17 S18 V19	N13-I15 VanDerWaalsContact C-N 3.29Å; N13-I15 PolarHBondContact O-N 3.46Å; I15-S17 PolarHBondContact O-N 3.29Å; I15-S18 PolarHBondContact O-N 3.45Å; I15-V19 HydrophobicContact CG2-CG2 4.46Å; I15-V19 WeakPolarHBondContact O-CG2 3.23Å; I15-V19 PolarHBondContact O-N 3.29Å
16	E	85.4	Confident	89	Confident	147 Å²	147	102.5 Å²	102.5	69%	0.687	52%	0.516	S	S	*	.	H	α-helix	trans	-61.9	-45.1	179.5	-171.2	176.7	-175.2	0	0	111.3	N13 S18 V19 A20	N13-E16 PolarHBondContact O-N 3.17Å; E16-S18 VanDerWaalsContact C-N 3.33Å; E16-S18 PolarHBondContact O-N 3.29Å; E16-V19 PolarHBondContact O-N 3.08Å; E16-A20 WeakPolarHBondContact O-CB 3.45Å; E16-A20 PolarHBondContact O-N 3.04Å
17	S	88.8	Confident	89.9	Confident	51 Å²	51	100 Å²	100	36%	0.357	51%	0.509	S	S	.	.	H	α-helix	trans	-60.9	-41	175.8	-169.2	0	0	0	0	112.3	N13 I15 K21	N13-S17 WeakPolarHBondContact O-CB 3.37Å; N13-S17 PolarHBondContact O-N 3.07Å; I15-S17 PolarHBondContact O-N 3.29Å; S17-K21 WeakPolarHBondContact O-CB 3.38Å; S17-K21 VanDerWaalsContact O-CG 3.25Å; S17-K21 WeakPolarHBondContact O-CG 3.48Å; S17-K21 PolarHBondContact O-N 3.19Å; S17-K21 WeakPolarHBondContact OG-CE 3.45Å; S17-K21 PolarHBondContact OG-NZ 2.91Å
18	S	89.3	Confident	90.4	Very high	32 Å²	32	95.3 Å²	95.3	22%	0.224	49%	0.491	C	S	.	.	H	α-helix	trans	-68.4	-44.4	-179.8	-63.7	0	0	0	0	111.9	F14 I15 E16 K21 L22	F14-S18 WeakPolarHBondContact O-CB 3.31Å; F14-S18 PolarHBondContact O-N 2.72Å; F14-S18 PolarHBondContact O-OG 3.24Å; I15-S18 PolarHBondContact O-N 3.45Å; E16-S18 VanDerWaalsContact C-N 3.33Å; E16-S18 PolarHBondContact O-N 3.29Å; S18-K21 PolarHBondContact O-N 3.45Å; S18-L22 WeakPolarHBondContact O-CG 3.14Å; S18-L22 PolarHBondContact O-N 3Å
19	V	88.5	Confident	90.9	Very high	49 Å²	49	89.8 Å²	89.8	30%	0.297	47%	0.472	S	S	.	.	H	α-helix	trans	-63.5	-42.3	176.9	171.9	0	0	0	0	111	I15 E16 K21 L22 N23 Y91	I15-V19 HydrophobicContact CG2-CG2 4.46Å; I15-V19 WeakPolarHBondContact O-CG2 3.23Å; I15-V19 PolarHBondContact O-N 3.29Å; E16-V19 PolarHBondContact O-N 3.08Å; V19-K21 PolarHBondContact O-N 3.17Å; V19-L22 PolarHBondContact O-N 2.93Å; V19-N23 PolarHBondContact O-N 3.05Å; V19-Y91 WeakPolarHBondContact CG1-O 3.49Å
20	A	89.7	Confident	91.1	Very high	60 Å²	60	86.6 Å²	86.6	50%	0.496	46%	0.459	S	S	.	.	H	α-helix	trans	-61.3	-42.3	175	0	0	0	0	0	112.6	E16 N23 A24	E16-A20 WeakPolarHBondContact O-CB 3.45Å; E16-A20 PolarHBondContact O-N 3.04Å; A20-N23 WeakPolarHBondContact O-CB 3.29Å; A20-N23 PolarHBondContact O-N 3.43Å; A20-A24 PolarHBondContact O-N 3.37Å
21	K	93.5	Very high	91.3	Very high	134 Å²	134	87.3 Å²	87.3	58%	0.583	46%	0.461	S	S	*	.	H	α-helix	trans	-65.3	-41.9	175.4	-72.8	168	-173.6	167.4	0	112	S17 S18 V19 N23 A24 L25	S17-K21 WeakPolarHBondContact O-CB 3.38Å; S17-K21 VanDerWaalsContact O-CG 3.25Å; S17-K21 WeakPolarHBondContact O-CG 3.48Å; S17-K21 PolarHBondContact O-N 3.19Å; S17-K21 WeakPolarHBondContact OG-CE 3.45Å; S17-K21 PolarHBondContact OG-NZ 2.91Å; S18-K21 PolarHBondContact O-N 3.45Å; V19-K21 PolarHBondContact O-N 3.17Å; K21-N23 VanDerWaalsContact C-N 3.28Å; K21-N23 PolarHBondContact O-N 3.03Å; K21-A24 WeakPolarHBondContact O-CB 3.13Å; K21-A24 PolarHBondContact O-N 3.01Å; K21-A24 VanDerWaalsContact O-N 3.14Å; K21-L25 WeakPolarHBondContact O-CG 3.45Å; K21-L25 PolarHBondContact O-N 2.9Å
22	L	93.9	Very high	91.4	Very high	66 Å²	66	84.6 Å²	84.6	35%	0.346	45%	0.447	S	S	.	.	H	α-helix	trans	-59.9	-38.7	174.2	-73.9	169.7	0	0	0	111.8	S18 V19 L25 R26 V49 Y91	S18-L22 WeakPolarHBondContact O-CG 3.14Å; S18-L22 PolarHBondContact O-N 3Å; V19-L22 PolarHBondContact O-N 2.93Å; L22-L25 PolarHBondContact O-N 2.79Å; L22-R26 PolarHBondContact O-N 3.13Å; L22-V49 HydrophobicContact CD1-CG2 4.3Å; L22-Y91 HydrophobicContact CB-CD1 4.13Å; L22-Y91 HydrophobicContact CB-CE1 4.26Å
23	N	93.4	Very high	91.6	Very high	22 Å²	22	79.3 Å²	79.3	12%	0.118	42%	0.424	C	S	.	.	H	α-helix	trans	-65.5	-40.1	174.8	-163.2	18.8	0	0	0	112	V19 A20 K21 R26 K27 Y91 T92	V19-N23 PolarHBondContact O-N 3.05Å; A20-N23 WeakPolarHBondContact O-CB 3.29Å; A20-N23 PolarHBondContact O-N 3.43Å; K21-N23 VanDerWaalsContact C-N 3.28Å; K21-N23 PolarHBondContact O-N 3.03Å; N23-R26 PolarHBondContact O-N 3.2Å; N23-R26 PolarHBondContact OD1-NE 2.82Å; N23-R26 PolarHBondContact OD1-NH2 3.2Å; N23-K27 WeakPolarHBondContact O-CG 3.32Å; N23-K27 PolarHBondContact O-N 2.9Å; N23-Y91 HydrophobicContact CB-CD1 4.3Å; N23-Y91 HydrophobicContact CB-CG 4.47Å; N23-T92 WeakPolarHBondContact ND2-CG2 3.42Å
24	A	94.1	Very high	91.7	Very high	60 Å²	60	74 Å²	74	50%	0.496	40%	0.396	S	S	.	.	H	α-helix	trans	-63.2	-43.2	176	0	0	0	0	0	111.8	A20 K21 R26 K27 S28	A20-A24 PolarHBondContact O-N 3.37Å; K21-A24 WeakPolarHBondContact O-CB 3.13Å; K21-A24 PolarHBondContact O-N 3.01Å; K21-A24 VanDerWaalsContact O-N 3.14Å; A24-R26 VanDerWaalsContact C-N 3.35Å; A24-R26 PolarHBondContact O-N 2.92Å; A24-K27 PolarHBondContact O-N 2.75Å; A24-S28 PolarHBondContact O-N 2.94Å; A24-S28 PolarHBondContact O-OG 3.1Å
25	L	95.6	Very high	91.8	Very high	49 Å²	49	70.6 Å²	70.6	26%	0.257	38%	0.379	S	S	.	.	H	α-helix	trans	-60.5	-42.9	174.3	-67.9	173.4	0	0	0	111.8	K21 L22 K27 S28 G29 Q30 F31	K21-L25 WeakPolarHBondContact O-CG 3.45Å; K21-L25 PolarHBondContact O-N 2.9Å; L22-L25 PolarHBondContact O-N 2.79Å; L25-K27 PolarHBondContact O-N 2.97Å; L25-S28 PolarHBondContact O-N 3.13Å; L25-S28 PolarHBondContact O-OG 2.83Å; L25-G29 PolarHBondContact O-N 3.03Å; L25-G29 VanDerWaalsContact O-N 3.12Å; L25-Q30 HydrophobicContact CB-CB 4.5Å; L25-Q30 HydrophobicContact CD2-CB 4Å; L25-Q30 PolarHBondContact O-N 3.39Å; L25-F31 HydrophobicContact CD1-CD2 4.27Å; L25-F31 HydrophobicContact CD2-CD2 4.15Å; L25-F31 HydrophobicContact CD2-CE2 4.2Å
26	R	95.3	Very high	92.2	Very high	25 Å²	25	64.8 Å²	64.8	9%	0.094	35%	0.349	C	S	.	.	H	α-helix	trans	-59.4	-49.4	175.2	-178.8	-169.1	66.1	114.5	-5.5	111.2	L22 N23 A24 S28 G29 L44 N88 Y91	L22-R26 PolarHBondContact O-N 3.13Å; N23-R26 PolarHBondContact O-N 3.2Å; N23-R26 PolarHBondContact OD1-NE 2.82Å; N23-R26 PolarHBondContact OD1-NH2 3.2Å; A24-R26 VanDerWaalsContact C-N 3.35Å; A24-R26 PolarHBondContact O-N 2.92Å; R26-S28 PolarHBondContact O-N 3.3Å; R26-G29 PolarHBondContact O-N 3.1Å; R26-L44 WeakPolarHBondContact CG-O 3.41Å; R26-N88 PolarHBondContact NH2-OD1 3.16Å; R26-Y91 HydrophobicContact CB-CD1 4.39Å; R26-Y91 HydrophobicContact CB-CE1 4Å
27	K	92.8	Very high	92.6	Very high	151 Å²	151	60.9 Å²	60.9	66%	0.657	33%	0.331	S	S	*	.	H	α-helix	trans	-64.5	-27.5	-178.1	-73.7	-174.5	176.9	-170.3	0	113.2	N23 A24 L25 G29	N23-K27 WeakPolarHBondContact O-CG 3.32Å; N23-K27 PolarHBondContact O-N 2.9Å; A24-K27 PolarHBondContact O-N 2.75Å; L25-K27 PolarHBondContact O-N 2.97Å; K27-G29 VanDerWaalsContact C-N 3.34Å
28	S	93.7	Very high	92.9	Very high	71 Å²	71	58.4 Å²	58.4	50%	0.497	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-0.6	172.9	63.7	0	0	0	0	113.7	A24 L25 R26 Q30	A24-S28 PolarHBondContact O-N 2.94Å; A24-S28 PolarHBondContact O-OG 3.1Å; L25-S28 PolarHBondContact O-N 3.13Å; L25-S28 PolarHBondContact O-OG 2.83Å; R26-S28 PolarHBondContact O-N 3.3Å; S28-Q30 PolarHBondContact O-N 3.18Å; S28-Q30 WeakPolarHBondContact OG-CG 3.47Å
29	G	91.8	Very high	92.9	Very high	33 Å²	33	59.8 Å²	59.8	34%	0.34	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	12.5	-177.4	0	0	0	0	0	114.2	L25 R26 K27	L25-G29 PolarHBondContact O-N 3.03Å; L25-G29 VanDerWaalsContact O-N 3.12Å; R26-G29 PolarHBondContact O-N 3.1Å; K27-G29 VanDerWaalsContact C-N 3.34Å
30	Q	92.8	Very high	92.6	Very high	103 Å²	103	60 Å²	60	48%	0.481	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	136.5	-178.7	-71.2	-177.1	-13.4	0	0	110.7	L25 S28 C32 H46	L25-Q30 HydrophobicContact CB-CB 4.5Å; L25-Q30 HydrophobicContact CD2-CB 4Å; L25-Q30 PolarHBondContact O-N 3.39Å; S28-Q30 PolarHBondContact O-N 3.18Å; S28-Q30 WeakPolarHBondContact OG-CG 3.47Å; Q30-C32 PolarHBondContact O-N 2.91Å; Q30-H46 PolarHBondContact O-NE2 2.53Å; Q30-H46 VanDerWaalsContact O-NE2 3.07Å
31	F	92.3	Very high	92.7	Very high	166 Å²	166	62.4 Å²	62.4	73%	0.728	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	11.7	179.2	-49.5	-68	0	0	0	115.5	L25 D33 H46	L25-F31 HydrophobicContact CD1-CD2 4.27Å; L25-F31 HydrophobicContact CD2-CD2 4.15Å; L25-F31 HydrophobicContact CD2-CE2 4.2Å; F31-D33 PolarHBondContact O-N 3.12Å; F31-H46 PolarHBondContact O-CD2 2.54Å
32	C	93.8	Very high	92.7	Very high	15 Å²	15	61.4 Å²	61.4	10%	0.101	33%	0.332	C	S	.	.			trans	-69.3	119.8	175	-67.8	0	0	0	0	109.7	Q30 L44 A45	Q30-C32 PolarHBondContact O-N 2.91Å; C32-L44 HydrophobicContact CB-CB 3.94Å; C32-A45 CarbonylContact C-O 3.58Å; C32-A45 VanDerWaalsContact CA-O 3.31Å; C32-A45 WeakPolarHBondContact CA-O 3.09Å; C32-A45 WeakPolarHBondContact CB-O 3.38Å
33	D	92.3	Very high	92.7	Very high	61 Å²	61	59.4 Å²	59.4	33%	0.326	32%	0.322	S	S	.	.			trans	-115.2	5.6	-174.6	60.8	-11.1	0	0	0	112	F31 A45 H46 R47 I70 S71	F31-D33 PolarHBondContact O-N 3.12Å; D33-A45 PolarHBondContact N-O 2.92Å; D33-H46 WeakPolarHBondContact OD1-CA 3.4Å; D33-R47 WeakPolarHBondContact OD1-CG 3.26Å; D33-R47 PolarHBondContact OD1-N 3.21Å; D33-I70 WeakPolarHBondContact O-CA 3.27Å; D33-S71 PolarHBondContact O-N 3.2Å
34	V	92.9	Very high	92.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	143.3	169	56.5	0	0	0	0	111.9	L36 A45 R47 L50 F61 S71 V73	V34-L36 HydrophobicContact CG2-CD2 3.87Å; V34-A45 HydrophobicContact CG1-CB 3.96Å; V34-A45 WeakPolarHBondContact CG1-O 3.35Å; V34-A45 PolarHBondContact N-O 2.84Å; V34-A45 VanDerWaalsContact N-O 3.13Å; V34-A45 PolarHBondContact O-N 3.47Å; V34-R47 HydrophobicContact CB-CG 3.64Å; V34-R47 HydrophobicContact CG1-CG 3.84Å; V34-L50 HydrophobicContact CG1-CD1 4.21Å; V34-F61 HydrophobicContact CB-CE1 4.32Å; V34-F61 HydrophobicContact CB-CZ 4.38Å; V34-F61 HydrophobicContact CG1-CZ 4.28Å; V34-F61 HydrophobicContact CG2-CE1 3.67Å; V34-F61 HydrophobicContact CG2-CZ 3.91Å; V34-S71 CarbonylContact C-O 3.56Å; V34-S71 VanDerWaalsContact CA-O 3.3Å; V34-S71 WeakPolarHBondContact CA-O 3.3Å; V34-S71 WeakPolarHBondContact CG2-O 3.32Å; V34-V73 HydrophobicContact CG2-CG2 4.32Å
35	R	93.4	Very high	92.8	Very high	64 Å²	64	58.7 Å²	58.7	24%	0.242	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.4	169	-170.6	-179.2	-56.5	179.7	2.9	109.7	E42 M43 L44 I70 S71 V73	R35-E42 VanDerWaalsContact CD-CD 3.48Å; R35-E42 VanDerWaalsContact CD-OE1 3.24Å; R35-E42 WeakPolarHBondContact CD-OE1 3.46Å; R35-E42 HydrophobicContact CG-CB 4.33Å; R35-E42 IonicContact CZ-OE1 2.62Å; R35-E42 IonicContact CZ-OE2 2.85Å; R35-E42 IonicContact NE-OE1 3.1Å; R35-E42 IonicContact NE-OE2 2.71Å; R35-E42 IonicContact NH1-OE1 2.8Å; R35-E42 PolarHBondContact NH1-OE1 3.17Å; R35-E42 IonicContact NH1-OE2 3.88Å; R35-E42 PolarHBondContact NH1-OE2 2.82Å; R35-M43 WeakPolarHBondContact CA-O 3.38Å; R35-L44 HydrophobicContact CB-CD2 4.23Å; R35-L44 HydrophobicContact CG-CD2 4.2Å; R35-I70 HydrophobicContact CB-CG2 3.86Å; R35-S71 PolarHBondContact N-O 2.89Å; R35-V73 PolarHBondContact O-N 2.91Å
36	L	94	Very high	92.8	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124.4	168.7	-53	-175.1	0	0	0	108.6	V34 M43 L50 V73 F75 V83 L87	V34-L36 HydrophobicContact CG2-CD2 3.87Å; L36-M43 HydrophobicContact CB-CB 4.37Å; L36-M43 PolarHBondContact N-O 3.36Å; L36-M43 PolarHBondContact O-N 3.38Å; L36-L50 HydrophobicContact CD1-CD1 3.91Å; L36-L50 HydrophobicContact CD2-CD1 4.44Å; L36-L50 HydrophobicContact CG-CD1 4.36Å; L36-V73 CarbonylContact C-O 3.56Å; L36-V73 WeakPolarHBondContact CA-O 3.21Å; L36-V73 HydrophobicContact CD2-CB 3.81Å; L36-V73 HydrophobicContact CD2-CG1 4.41Å; L36-V73 HydrophobicContact CD2-CG2 4.34Å; L36-F75 HydrophobicContact CD2-CE2 4.38Å; L36-V83 HydrophobicContact CD1-CG1 4.32Å; L36-L87 HydrophobicContact CD1-CD1 4.39Å; L36-L87 HydrophobicContact CD1-CD2 3.93Å
37	Q	93.6	Very high	92.7	Very high	65 Å²	65	58.8 Å²	58.8	30%	0.304	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	110.5	173.4	-172.9	177.6	32.9	0	0	108.8	H41 V73 K74 F75	Q37-H41 CarbonylContact C-O 3.53Å; Q37-H41 WeakPolarHBondContact CA-O 3.48Å; Q37-V73 PolarHBondContact N-O 2.79Å; Q37-K74 HydrophobicContact CB-CG 4.3Å; Q37-K74 CarbonylContact O-C 3.59Å; Q37-K74 WeakPolarHBondContact O-CA 3.4Å; Q37-F75 PolarHBondContact O-N 3.44Å
38	V	94.7	Very high	92.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	111.4	-177.4	-172.2	0	0	0	0	109.2	G40 H41 F75 L78 P80 V83	V38-G40 PolarHBondContact O-N 2.61Å; V38-G40 VanDerWaalsContact O-N 3.1Å; V38-H41 PolarHBondContact N-O 2.73Å; V38-H41 WeakPolarHBondContact O-CB 3.4Å; V38-H41 PolarHBondContact O-N 2.85Å; V38-H41 PolarHBondContact O-ND1 3.31Å; V38-F75 VanDerWaalsContact CA-O 3.29Å; V38-F75 WeakPolarHBondContact CA-O 3.45Å; V38-F75 HydrophobicContact CG1-CB 4.44Å; V38-F75 HydrophobicContact CG2-CB 4.35Å; V38-F75 HydrophobicContact CG2-CD2 4.21Å; V38-L78 HydrophobicContact CG1-CB 3.94Å; V38-L78 WeakPolarHBondContact CG1-O 3.35Å; V38-P80 HydrophobicContact CB-CB 4.48Å; V38-P80 HydrophobicContact CB-CG 4.46Å; V38-P80 HydrophobicContact CG1-CB 4.31Å; V38-P80 HydrophobicContact CG1-CG 4.06Å; V38-V83 HydrophobicContact CG1-CG2 4.13Å; V38-V83 HydrophobicContact CG2-CB 4.17Å; V38-V83 HydrophobicContact CG2-CG1 4.04Å; V38-V83 HydrophobicContact CG2-CG2 4.07Å
39	C	88.4	Confident	92.7	Very high	61 Å²	61	52.7 Å²	52.7	41%	0.412	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.1	44.4	-177.3	-64	0	0	0	0	113	H41 F75 D76 L78 P80	C39-H41 VanDerWaalsContact C-N 3.3Å; C39-H41 PolarHBondContact O-N 2.84Å; C39-H41 PolarHBondContact O-ND1 3.47Å; C39-F75 PolarHBondContact N-O 2.84Å; C39-D76 PolarHBondContact SG-O 3.24Å; C39-D76 VanDerWaalsContact SG-O 3.41Å; C39-L78 PolarHBondContact SG-O 2.78Å; C39-P80 HydrophobicContact CB-CG 4.09Å
40	G	84.1	Confident	92.9	Very high	52 Å²	52	51.4 Å²	51.4	54%	0.536	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	-9.8	-178	0	0	0	0	0	116.2	V38	V38-G40 PolarHBondContact O-N 2.61Å; V38-G40 VanDerWaalsContact O-N 3.1Å
41	H	91	Very high	92.9	Very high	112 Å²	112	47.5 Å²	47.5	52%	0.519	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	129.2	176.1	-62.5	72.8	0	0	0	110.7	Q37 V38 C39 P80	Q37-H41 CarbonylContact C-O 3.53Å; Q37-H41 WeakPolarHBondContact CA-O 3.48Å; V38-H41 PolarHBondContact N-O 2.73Å; V38-H41 WeakPolarHBondContact O-CB 3.4Å; V38-H41 PolarHBondContact O-N 2.85Å; V38-H41 PolarHBondContact O-ND1 3.31Å; C39-H41 VanDerWaalsContact C-N 3.3Å; C39-H41 PolarHBondContact O-N 2.84Å; C39-H41 PolarHBondContact O-ND1 3.47Å; H41-P80 HydrophobicContact CB-CB 4.15Å; H41-P80 HydrophobicContact CB-CG 4.4Å
42	E	92.9	Very high	92.9	Very high	112 Å²	112	45.1 Å²	45.1	52%	0.523	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130	179.9	-62.6	-165.8	139.4	0	0	111.6	R35	R35-E42 VanDerWaalsContact CD-CD 3.48Å; R35-E42 VanDerWaalsContact CD-OE1 3.24Å; R35-E42 WeakPolarHBondContact CD-OE1 3.46Å; R35-E42 HydrophobicContact CG-CB 4.33Å; R35-E42 IonicContact CZ-OE1 2.62Å; R35-E42 IonicContact CZ-OE2 2.85Å; R35-E42 IonicContact NE-OE1 3.1Å; R35-E42 IonicContact NE-OE2 2.71Å; R35-E42 IonicContact NH1-OE1 2.8Å; R35-E42 PolarHBondContact NH1-OE1 3.17Å; R35-E42 IonicContact NH1-OE2 3.88Å; R35-E42 PolarHBondContact NH1-OE2 2.82Å
43	M	94.3	Very high	92.9	Very high	24 Å²	24	46.2 Å²	46.2	12%	0.118	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123.1	177.3	-61.7	179.5	167.6	0	0	110.2	R35 L36 P80 V83 E84 L87	R35-M43 WeakPolarHBondContact CA-O 3.38Å; L36-M43 HydrophobicContact CB-CB 4.37Å; L36-M43 PolarHBondContact N-O 3.36Å; L36-M43 PolarHBondContact O-N 3.38Å; M43-P80 HydrophobicContact CE-CB 4.49Å; M43-P80 WeakPolarHBondContact CE-O 3.23Å; M43-V83 HydrophobicContact SD-CG1 4.22Å; M43-E84 HydrophobicContact CE-CB 3.68Å; M43-E84 HydrophobicContact CE-CG 4.14Å; M43-E84 HydrophobicContact SD-CB 4.4Å; M43-L87 HydrophobicContact CB-CD1 3.82Å; M43-L87 HydrophobicContact CG-CD1 4.26Å; M43-L87 HydrophobicContact SD-CD1 3.57Å; M43-L87 VanDerWaalsContact SD-CD1 3.57Å
44	L	94.8	Very high	93.1	Very high	68 Å²	68	43.4 Å²	43.4	36%	0.356	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	139.2	176.4	-63.6	177.7	0	0	0	111	R26 C32 R35	R26-L44 WeakPolarHBondContact CG-O 3.41Å; C32-L44 HydrophobicContact CB-CB 3.94Å; R35-L44 HydrophobicContact CB-CD2 4.23Å; R35-L44 HydrophobicContact CG-CD2 4.2Å
45	A	95.8	Very high	93.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	175	176.9	0	0	0	0	0	112	C32 D33 V34 L50 L87	C32-A45 CarbonylContact C-O 3.58Å; C32-A45 VanDerWaalsContact CA-O 3.31Å; C32-A45 WeakPolarHBondContact CA-O 3.09Å; C32-A45 WeakPolarHBondContact CB-O 3.38Å; D33-A45 PolarHBondContact N-O 2.92Å; V34-A45 HydrophobicContact CG1-CB 3.96Å; V34-A45 WeakPolarHBondContact CG1-O 3.35Å; V34-A45 PolarHBondContact N-O 2.84Å; V34-A45 VanDerWaalsContact N-O 3.13Å; V34-A45 PolarHBondContact O-N 3.47Å; A45-L50 HydrophobicContact CB-CD1 3.63Å; A45-L50 HydrophobicContact CB-CD2 4.45Å; A45-L50 HydrophobicContact CB-CG 4.05Å; A45-L87 HydrophobicContact CB-CD2 4.38Å
46	H	94.8	Very high	93.2	Very high	17 Å²	17	45.9 Å²	45.9	8%	0.079	27%	0.271	C	S	.	.			trans	-98.2	126.5	171.4	-49.8	89.4	0	0	0	110.7	Q30 F31 D33 A48 V49 L50 Y91	Q30-H46 PolarHBondContact O-NE2 2.53Å; Q30-H46 VanDerWaalsContact O-NE2 3.07Å; F31-H46 PolarHBondContact O-CD2 2.54Å; D33-H46 WeakPolarHBondContact OD1-CA 3.4Å; H46-A48 VanDerWaalsContact C-N 3.28Å; H46-A48 PolarHBondContact O-N 2.93Å; H46-V49 HydrophobicContact CB-CB 4.39Å; H46-V49 HydrophobicContact CB-CG2 4.05Å; H46-V49 PolarHBondContact O-N 3.15Å; H46-L50 PolarHBondContact O-N 3.17Å; H46-Y91 WeakPolarHBondContact CB-OH 3.46Å; H46-Y91 PolarHBondContact N-OH 3.26Å; H46-Y91 AromaticContact ND1-CE1 3.54Å; H46-Y91 AromaticContact ND1-CZ 3.64Å; H46-Y91 PolarHBondContact ND1-OH 2.84Å
47	R	93.1	Very high	93.2	Very high	58 Å²	58	46 Å²	46	22%	0.219	27%	0.271	C	S	.	.	H	α-helix	trans	-54	-46.3	178.2	-71.4	171.5	69.1	176.1	1.4	110.9	D33 V34 V49 L50 A51 F61 S71	D33-R47 WeakPolarHBondContact OD1-CG 3.26Å; D33-R47 PolarHBondContact OD1-N 3.21Å; V34-R47 HydrophobicContact CB-CG 3.64Å; V34-R47 HydrophobicContact CG1-CG 3.84Å; R47-V49 PolarHBondContact O-N 3.19Å; R47-L50 PolarHBondContact O-N 3.34Å; R47-A51 WeakPolarHBondContact O-CB 3.48Å; R47-A51 PolarHBondContact O-N 2.99Å; R47-F61 HydrophobicContact CB-CD2 3.93Å; R47-F61 HydrophobicContact CB-CE2 4.1Å; R47-F61 HydrophobicContact CB-CG 4.32Å; R47-F61 HydrophobicContact CG-CD1 4.22Å; R47-F61 HydrophobicContact CG-CD2 4.19Å; R47-F61 HydrophobicContact CG-CE1 4.3Å; R47-F61 HydrophobicContact CG-CE2 4.26Å; R47-F61 HydrophobicContact CG-CG 4.18Å; R47-F61 HydrophobicContact CG-CZ 4.33Å; R47-F61 PolarHBondContact NH2-O 3.19Å; R47-S71 PolarHBondContact NH1-OG 3.49Å
48	A	92.3	Very high	93.1	Very high	70 Å²	70	47.8 Å²	47.8	58%	0.579	28%	0.278	S	S	*	.	H	α-helix	trans	-58.1	-45.1	-178.6	0	0	0	0	0	112.5	H46 C52	H46-A48 VanDerWaalsContact C-N 3.28Å; H46-A48 PolarHBondContact O-N 2.93Å; A48-C52 PolarHBondContact O-N 2.83Å; A48-C52 PolarHBondContact O-SG 3.44Å
49	V	94.8	Very high	93	Very high	24 Å²	24	52.6 Å²	52.6	15%	0.145	30%	0.301	C	S	.	.	H	α-helix	trans	-67.6	-45.3	-179.9	179.1	0	0	0	0	110.8	L22 H46 R47 C52 C53 A90 Y91	L22-V49 HydrophobicContact CD1-CG2 4.3Å; H46-V49 HydrophobicContact CB-CB 4.39Å; H46-V49 HydrophobicContact CB-CG2 4.05Å; H46-V49 PolarHBondContact O-N 3.15Å; R47-V49 PolarHBondContact O-N 3.19Å; V49-C52 PolarHBondContact O-N 2.83Å; V49-C53 PolarHBondContact O-N 3.35Å; V49-A90 HydrophobicContact CG1-CB 4.35Å; V49-Y91 HydrophobicContact CB-CE1 4.02Å; V49-Y91 HydrophobicContact CB-CE2 4.14Å; V49-Y91 HydrophobicContact CG1-CD1 4.13Å; V49-Y91 HydrophobicContact CG1-CD2 3.99Å; V49-Y91 HydrophobicContact CG1-CE1 3.8Å; V49-Y91 HydrophobicContact CG1-CE2 3.63Å; V49-Y91 HydrophobicContact CG1-CG 4.23Å; V49-Y91 HydrophobicContact CG2-CE1 3.81Å
50	L	94.5	Very high	93	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-67.4	-38.9	-179.6	-63.3	-168.1	0	0	0	112.5	V34 L36 A45 H46 R47 C52 C53 S54 L57 F61 L87 A90 Y91	V34-L50 HydrophobicContact CG1-CD1 4.21Å; L36-L50 HydrophobicContact CD1-CD1 3.91Å; L36-L50 HydrophobicContact CD2-CD1 4.44Å; L36-L50 HydrophobicContact CG-CD1 4.36Å; A45-L50 HydrophobicContact CB-CD1 3.63Å; A45-L50 HydrophobicContact CB-CD2 4.45Å; A45-L50 HydrophobicContact CB-CG 4.05Å; H46-L50 PolarHBondContact O-N 3.17Å; R47-L50 PolarHBondContact O-N 3.34Å; L50-C52 VanDerWaalsContact C-N 3.29Å; L50-C52 PolarHBondContact O-N 2.85Å; L50-C53 PolarHBondContact O-N 2.8Å; L50-C53 VanDerWaalsContact O-N 3.11Å; L50-S54 WeakPolarHBondContact O-CB 3.04Å; L50-S54 PolarHBondContact O-N 3.09Å; L50-L57 HydrophobicContact CB-CD1 3.92Å; L50-L57 HydrophobicContact CD1-CD1 4.05Å; L50-F61 HydrophobicContact CB-CE2 3.95Å; L50-F61 HydrophobicContact CB-CZ 4.36Å; L50-F61 HydrophobicContact CD1-CZ 4.45Å; L50-L87 HydrophobicContact CD1-CD2 3.9Å; L50-L87 HydrophobicContact CD2-CD2 3.4Å; L50-L87 VanDerWaalsContact CD2-CD2 3.4Å; L50-L87 HydrophobicContact CG-CD2 4.28Å; L50-A90 HydrophobicContact CD2-CB 4.22Å; L50-Y91 HydrophobicContact CD2-CE2 4.14Å
51	A	93.6	Very high	93.3	Very high	22 Å²	22	49.6 Å²	49.6	18%	0.182	27%	0.267	C	S	.	.	H	α-helix	trans	-57.7	-39.4	173.5	0	0	0	0	0	112.7	R47 C53 F58 F61	R47-A51 WeakPolarHBondContact O-CB 3.48Å; R47-A51 PolarHBondContact O-N 2.99Å; A51-C53 VanDerWaalsContact C-N 3.25Å; A51-C53 PolarHBondContact O-N 2.77Å; A51-F58 HydrophobicContact CB-CB 4.1Å; A51-F58 HydrophobicContact CB-CD2 3.89Å; A51-F61 HydrophobicContact CB-CD2 4.27Å
52	C	92.4	Very high	93	Very high	115 Å²	115	49.4 Å²	49.4	78%	0.777	27%	0.271	S	S	*	.	H	α-helix	trans	-66.2	-28.4	177.1	-69.5	0	0	0	0	113.1	A48 V49 L50	A48-C52 PolarHBondContact O-N 2.83Å; A48-C52 PolarHBondContact O-SG 3.44Å; V49-C52 PolarHBondContact O-N 2.83Å; L50-C52 VanDerWaalsContact C-N 3.29Å; L50-C52 PolarHBondContact O-N 2.85Å
53	C	93.4	Very high	92.4	Very high	39 Å²	39	48.6 Å²	48.6	26%	0.264	28%	0.277	S	S	.	.	H	α-helix	trans	-99.9	-23.1	-174.5	-72.5	0	0	0	0	113.7	V49 L50 A51 A90 M114	V49-C53 PolarHBondContact O-N 3.35Å; L50-C53 PolarHBondContact O-N 2.8Å; L50-C53 VanDerWaalsContact O-N 3.11Å; A51-C53 VanDerWaalsContact C-N 3.25Å; A51-C53 PolarHBondContact O-N 2.77Å; C53-A90 HydrophobicContact CB-CB 4.13Å; C53-M114 HydrophobicContact CB-CE 4.13Å
54	S	96.3	Very high	91.5	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.014	29%	0.286	C	S	.	.			trans	-132.2	106.7	-174.7	172.6	0	0	0	0	110.5	L50 Y56 L57 F58 L112	L50-S54 WeakPolarHBondContact O-CB 3.04Å; L50-S54 PolarHBondContact O-N 3.09Å; S54-Y56 PolarHBondContact O-N 3.24Å; S54-L57 PolarHBondContact O-N 2.9Å; S54-L57 WeakPolarHBondContact OG-CG 3.37Å; S54-L57 PolarHBondContact OG-N 2.94Å; S54-L57 VanDerWaalsContact OG-N 3.09Å; S54-F58 PolarHBondContact O-N 2.8Å; S54-L112 WeakPolarHBondContact CB-O 3.38Å; S54-L112 PolarHBondContact OG-O 2.96Å
55	P	95.1	Very high	89.9	Confident	66 Å²	66	52.1 Å²	52.1	43%	0.429	31%	0.305	S	S	.	.	H	α-helix	trans	-57	-32.5	171.7	-25.5	34.5	0	0	0	112.9	F58 E59 K113	P55-F58 PolarHBondContact O-N 2.75Å; P55-E59 WeakPolarHBondContact O-CG 3.23Å; P55-E59 PolarHBondContact O-N 3.21Å; P55-K113 HydrophobicContact CB-CB 4.25Å; P55-K113 HydrophobicContact CB-CD 4.23Å; P55-K113 WeakPolarHBondContact CD-O 3.48Å; P55-K113 HydrophobicContact CG-CB 4.27Å
56	Y	94.1	Very high	88.2	Confident	49 Å²	49	57.7 Å²	57.7	19%	0.192	34%	0.335	C	S	.	.	H	α-helix	trans	-64.6	-48	176.8	179.1	-97.7	0	0	0	111.9	S54 F58 E59 I60 F75 L112	S54-Y56 PolarHBondContact O-N 3.24Å; Y56-F58 VanDerWaalsContact C-N 3.34Å; Y56-E59 PolarHBondContact O-N 2.9Å; Y56-I60 HydrophobicContact CD1-CD1 3.8Å; Y56-I60 HydrophobicContact CE1-CD1 3.19Å; Y56-I60 HydrophobicContact CE1-CG1 4.31Å; Y56-I60 HydrophobicContact CE2-CD1 4.39Å; Y56-I60 WeakPolarHBondContact O-CG1 3.03Å; Y56-I60 PolarHBondContact O-N 2.84Å; Y56-I60 VanDerWaalsContact O-N 3.1Å; Y56-F75 AromaticContact CE1-CE1 3.7Å; Y56-F75 HydrophobicContact CE1-CE1 3.7Å; Y56-F75 AromaticContact CE1-CZ 3.92Å; Y56-F75 HydrophobicContact CE1-CZ 3.92Å; Y56-L112 HydrophobicContact CD1-CD2 3.84Å; Y56-L112 HydrophobicContact CE1-CD2 4.25Å
57	L	93.2	Very high	86.5	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-68.7	-34.1	177.5	-67.6	175	0	0	0	111.8	L50 S54 E59 I60 F61 V73 F75 L112	L50-L57 HydrophobicContact CB-CD1 3.92Å; L50-L57 HydrophobicContact CD1-CD1 4.05Å; S54-L57 PolarHBondContact O-N 2.9Å; S54-L57 WeakPolarHBondContact OG-CG 3.37Å; S54-L57 PolarHBondContact OG-N 2.94Å; S54-L57 VanDerWaalsContact OG-N 3.09Å; L57-E59 PolarHBondContact O-N 2.87Å; L57-I60 PolarHBondContact O-N 2.91Å; L57-F61 HydrophobicContact CB-CD2 4.39Å; L57-F61 HydrophobicContact CB-CE2 3.77Å; L57-F61 HydrophobicContact CB-CZ 3.93Å; L57-F61 HydrophobicContact CD2-CZ 4.26Å; L57-F61 HydrophobicContact CG-CZ 4.5Å; L57-F61 WeakPolarHBondContact O-CB 3.43Å; L57-F61 WeakPolarHBondContact O-CD2 3.35Å; L57-F61 WeakPolarHBondContact O-CG 3.21Å; L57-F61 PolarHBondContact O-N 2.74Å; L57-V73 HydrophobicContact CD2-CG1 4.37Å; L57-F75 HydrophobicContact CD2-CE2 4.38Å; L57-F75 HydrophobicContact CD2-CZ 3.98Å; L57-L112 HydrophobicContact CD1-CD2 4.42Å; L57-L112 HydrophobicContact CD2-CD2 4.27Å; L57-L112 HydrophobicContact CG-CD2 4.2Å
58	F	92.4	Very high	84.7	Confident	103 Å²	103	67.3 Å²	67.3	45%	0.452	39%	0.393	S	S	.	.	H	α-helix	trans	-58.3	-45.3	171.7	176.4	-102.7	0	0	0	112.3	A51 S54 P55 Y56 F61 N62	A51-F58 HydrophobicContact CB-CB 4.1Å; A51-F58 HydrophobicContact CB-CD2 3.89Å; S54-F58 PolarHBondContact O-N 2.8Å; P55-F58 PolarHBondContact O-N 2.75Å; Y56-F58 VanDerWaalsContact C-N 3.34Å; F58-F61 PolarHBondContact O-N 2.85Å; F58-N62 WeakPolarHBondContact CE1-ND2 3.4Å; F58-N62 VanDerWaalsContact CE2-ND2 3.31Å; F58-N62 WeakPolarHBondContact CE2-ND2 3.46Å; F58-N62 WeakPolarHBondContact CZ-ND2 3.49Å; F58-N62 WeakPolarHBondContact O-CB 3.5Å; F58-N62 PolarHBondContact O-N 2.88Å; F58-N62 VanDerWaalsContact O-N 3.07Å; F58-N62 PolarHBondContact O-ND2 2.98Å
59	E	91.1	Very high	83.6	Confident	100 Å²	100	66.6 Å²	66.6	47%	0.467	39%	0.392	S	S	.	.	H	α-helix	trans	-61.7	-43.4	175.4	-73	166.8	-173.4	0	0	111.8	P55 Y56 L57 N62 S63 K113	P55-E59 WeakPolarHBondContact O-CG 3.23Å; P55-E59 PolarHBondContact O-N 3.21Å; Y56-E59 PolarHBondContact O-N 2.9Å; L57-E59 PolarHBondContact O-N 2.87Å; E59-N62 PolarHBondContact O-N 3.2Å; E59-S63 PolarHBondContact O-N 2.98Å; E59-S63 VanDerWaalsContact O-N 3.15Å; E59-S63 PolarHBondContact O-OG 2.88Å; E59-K113 IonicContact OE1-NZ 3.69Å; E59-K113 PolarHBondContact OE1-NZ 2.86Å; E59-K113 VanDerWaalsContact OE1-NZ 3.1Å; E59-K113 IonicContact OE2-NZ 2.65Å; E59-K113 PolarHBondContact OE2-NZ 2.8Å
60	I	89.4	Confident	82.6	Confident	43 Å²	43	68.7 Å²	68.7	22%	0.221	40%	0.402	C	S	.	.	H	α-helix	trans	-62.2	-48.4	176.6	-70.7	177.6	0	0	0	110.9	Y56 L57 N62 S63 D64 V73	Y56-I60 HydrophobicContact CD1-CD1 3.8Å; Y56-I60 HydrophobicContact CE1-CD1 3.19Å; Y56-I60 HydrophobicContact CE1-CG1 4.31Å; Y56-I60 HydrophobicContact CE2-CD1 4.39Å; Y56-I60 WeakPolarHBondContact O-CG1 3.03Å; Y56-I60 PolarHBondContact O-N 2.84Å; Y56-I60 VanDerWaalsContact O-N 3.1Å; L57-I60 PolarHBondContact O-N 2.91Å; I60-N62 VanDerWaalsContact C-N 3.26Å; I60-N62 PolarHBondContact O-N 2.99Å; I60-S63 PolarHBondContact O-N 2.87Å; I60-S63 PolarHBondContact O-OG 2.93Å; I60-D64 PolarHBondContact O-N 2.61Å; I60-D64 VanDerWaalsContact O-N 3.17Å; I60-V73 HydrophobicContact CD1-CG1 4.17Å; I60-V73 HydrophobicContact CG2-CG1 4.42Å; I60-V73 HydrophobicContact CG2-CG2 3.79Å
61	F	90	Very high	82	Confident	7 Å²	7	68.6 Å²	68.6	3%	0.031	40%	0.402	C	S	.	.	H	α-helix	trans	-67.5	-26.5	-177.7	-59.9	-29.4	0	0	0	113.3	V34 R47 L50 A51 L57 F58 V73	V34-F61 HydrophobicContact CB-CE1 4.32Å; V34-F61 HydrophobicContact CB-CZ 4.38Å; V34-F61 HydrophobicContact CG1-CZ 4.28Å; V34-F61 HydrophobicContact CG2-CE1 3.67Å; V34-F61 HydrophobicContact CG2-CZ 3.91Å; R47-F61 HydrophobicContact CB-CD2 3.93Å; R47-F61 HydrophobicContact CB-CE2 4.1Å; R47-F61 HydrophobicContact CB-CG 4.32Å; R47-F61 HydrophobicContact CG-CD1 4.22Å; R47-F61 HydrophobicContact CG-CD2 4.19Å; R47-F61 HydrophobicContact CG-CE1 4.3Å; R47-F61 HydrophobicContact CG-CE2 4.26Å; R47-F61 HydrophobicContact CG-CG 4.18Å; R47-F61 HydrophobicContact CG-CZ 4.33Å; R47-F61 PolarHBondContact NH2-O 3.19Å; L50-F61 HydrophobicContact CB-CE2 3.95Å; L50-F61 HydrophobicContact CB-CZ 4.36Å; L50-F61 HydrophobicContact CD1-CZ 4.45Å; A51-F61 HydrophobicContact CB-CD2 4.27Å; L57-F61 HydrophobicContact CB-CD2 4.39Å; L57-F61 HydrophobicContact CB-CE2 3.77Å; L57-F61 HydrophobicContact CB-CZ 3.93Å; L57-F61 HydrophobicContact CD2-CZ 4.26Å; L57-F61 HydrophobicContact CG-CZ 4.5Å; L57-F61 WeakPolarHBondContact O-CB 3.43Å; L57-F61 WeakPolarHBondContact O-CD2 3.35Å; L57-F61 WeakPolarHBondContact O-CG 3.21Å; L57-F61 PolarHBondContact O-N 2.74Å; F58-F61 PolarHBondContact O-N 2.85Å; F61-V73 HydrophobicContact CD1-CG2 4.46Å; F61-V73 HydrophobicContact CE1-CG2 3.8Å
62	N	85.4	Confident	81.6	Confident	109 Å²	109	73.3 Å²	73.3	58%	0.583	42%	0.42	S	S	*	.	H	α-helix	trans	-83	-20.2	176.2	-75.5	-23.9	0	0	0	113.5	F58 E59 I60	F58-N62 WeakPolarHBondContact CE1-ND2 3.4Å; F58-N62 VanDerWaalsContact CE2-ND2 3.31Å; F58-N62 WeakPolarHBondContact CE2-ND2 3.46Å; F58-N62 WeakPolarHBondContact CZ-ND2 3.49Å; F58-N62 WeakPolarHBondContact O-CB 3.5Å; F58-N62 PolarHBondContact O-N 2.88Å; F58-N62 VanDerWaalsContact O-N 3.07Å; F58-N62 PolarHBondContact O-ND2 2.98Å; E59-N62 PolarHBondContact O-N 3.2Å; I60-N62 VanDerWaalsContact C-N 3.26Å; I60-N62 PolarHBondContact O-N 2.99Å
63	S	80.6	Confident	81.5	Confident	94 Å²	94	68.5 Å²	68.5	66%	0.657	39%	0.387	S	S	*	.	H	α-helix	trans	-88.8	-12	175	50.3	0	0	0	0	112.8	E59 I60 S65	E59-S63 PolarHBondContact O-N 2.98Å; E59-S63 VanDerWaalsContact O-N 3.15Å; E59-S63 PolarHBondContact O-OG 2.88Å; I60-S63 PolarHBondContact O-N 2.87Å; I60-S63 PolarHBondContact O-OG 2.93Å; S63-S65 PolarHBondContact O-N 3.04Å
64	D	75.2	Confident	81.4	Confident	57 Å²	57	72.2 Å²	72.2	31%	0.305	40%	0.399	S	S	.	.			trans	-71.3	112.8	175	-165.3	2.5	0	0	0	111	I60 D66 S71	I60-D64 PolarHBondContact O-N 2.61Å; I60-D64 VanDerWaalsContact O-N 3.17Å; D64-D66 PolarHBondContact OD1-N 2.82Å; D64-S71 VanDerWaalsContact OD2-CB 3.31Å; D64-S71 WeakPolarHBondContact OD2-CB 3.5Å; D64-S71 PolarHBondContact OD2-OG 3.04Å
65	S	60.3	Low	81.2	Confident	109 Å²	109	72.3 Å²	72.3	76%	0.762	40%	0.399	S	S	*	.			trans	-81.5	-12	-176.8	48	0	0	0	0	114	S63 S67	S63-S65 PolarHBondContact O-N 3.04Å; S65-S67 PolarHBondContact O-N 2.89Å
66	D	61.1	Low	81.1	Confident	117 Å²	117	74 Å²	74	63%	0.626	40%	0.404	S	S	*	.			trans	-82.8	108	178.9	-80.7	-21.4	0	0	0	110.9	D64	D64-D66 PolarHBondContact OD1-N 2.82Å
67	S	58	Low	80.9	Confident	97 Å²	97	76.8 Å²	76.8	68%	0.678	42%	0.423	S	S	*	.			trans	-87.2	-5.6	179.8	46	0	0	0	0	113.8	S65	S65-S67 PolarHBondContact O-N 2.89Å
68	H	56.8	Low	80.9	Confident	181 Å²	181	77.2 Å²	77.2	84%	0.838	43%	0.425	S	S	*	.	S	Bend	trans	-135.8	81.7	-175.3	-66.3	-43.1	0	0	0	111.6
69	G	68	Low	81	Confident	55 Å²	55	74.8 Å²	74.8	57%	0.567	42%	0.416	S	S	*	.	S	Bend	trans	167.4	173.8	176.3	0	0	0	0	0	112.4
70	I	73.7	Confident	81.3	Confident	68 Å²	68	71 Å²	71	35%	0.349	40%	0.4	S	S	.	.			trans	-76.6	123.2	167	-64.9	172.8	0	0	0	106.9	D33 R35 H72	D33-I70 WeakPolarHBondContact O-CA 3.27Å; R35-I70 HydrophobicContact CB-CG2 3.86Å; I70-H72 PolarHBondContact O-CD2 3.06Å
71	S	82.2	Confident	81.7	Confident	4 Å²	4	74.8 Å²	74.8	3%	0.028	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	135.4	174.5	-71	0	0	0	0	110	D33 V34 R35 R47 D64	D33-S71 PolarHBondContact O-N 3.2Å; V34-S71 CarbonylContact C-O 3.56Å; V34-S71 VanDerWaalsContact CA-O 3.3Å; V34-S71 WeakPolarHBondContact CA-O 3.3Å; V34-S71 WeakPolarHBondContact CG2-O 3.32Å; R35-S71 PolarHBondContact N-O 2.89Å; R47-S71 PolarHBondContact NH1-OG 3.49Å; D64-S71 VanDerWaalsContact OD2-CB 3.31Å; D64-S71 WeakPolarHBondContact OD2-CB 3.5Å; D64-S71 PolarHBondContact OD2-OG 3.04Å
72	H	86.1	Confident	82	Confident	121 Å²	121	74.4 Å²	74.4	56%	0.56	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.9	179	-73.4	-92.3	0	0	0	110.5	I70	I70-H72 PolarHBondContact O-CD2 3.06Å
73	V	89.5	Confident	82.6	Confident	14 Å²	14	69.3 Å²	69.3	9%	0.085	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.7	177.8	-175.7	0	0	0	0	109.4	V34 R35 L36 Q37 L57 I60 F61 F75	V34-V73 HydrophobicContact CG2-CG2 4.32Å; R35-V73 PolarHBondContact O-N 2.91Å; L36-V73 CarbonylContact C-O 3.56Å; L36-V73 WeakPolarHBondContact CA-O 3.21Å; L36-V73 HydrophobicContact CD2-CB 3.81Å; L36-V73 HydrophobicContact CD2-CG1 4.41Å; L36-V73 HydrophobicContact CD2-CG2 4.34Å; Q37-V73 PolarHBondContact N-O 2.79Å; L57-V73 HydrophobicContact CD2-CG1 4.37Å; I60-V73 HydrophobicContact CD1-CG1 4.17Å; I60-V73 HydrophobicContact CG2-CG1 4.42Å; I60-V73 HydrophobicContact CG2-CG2 3.79Å; F61-V73 HydrophobicContact CD1-CG2 4.46Å; F61-V73 HydrophobicContact CE1-CG2 3.8Å; V73-F75 HydrophobicContact CG1-CD2 4.42Å; V73-F75 HydrophobicContact CG1-CE1 4.49Å; V73-F75 HydrophobicContact CG1-CE2 3.61Å; V73-F75 HydrophobicContact CG1-CZ 3.65Å
74	K	91.5	Very high	83.3	Confident	117 Å²	117	69.2 Å²	69.2	51%	0.509	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.7	-174.2	-168	176.9	-175.4	-123	0	112	Q37 D76	Q37-K74 HydrophobicContact CB-CG 4.3Å; Q37-K74 CarbonylContact O-C 3.59Å; Q37-K74 WeakPolarHBondContact O-CA 3.4Å; K74-D76 WeakPolarHBondContact CE-OD1 3.4Å; K74-D76 IonicContact NZ-OD1 2.63Å; K74-D76 PolarHBondContact NZ-OD1 2.87Å; K74-D76 IonicContact NZ-OD2 2.79Å; K74-D76 PolarHBondContact NZ-OD2 3.46Å
75	F	92.7	Very high	84.4	Confident	4 Å²	4	67.1 Å²	67.1	2%	0.018	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	113.5	173.4	-60.3	-75.7	0	0	0	109.4	L36 Q37 V38 C39 Y56 L57 V73 L78 L112	L36-F75 HydrophobicContact CD2-CE2 4.38Å; Q37-F75 PolarHBondContact O-N 3.44Å; V38-F75 VanDerWaalsContact CA-O 3.29Å; V38-F75 WeakPolarHBondContact CA-O 3.45Å; V38-F75 HydrophobicContact CG1-CB 4.44Å; V38-F75 HydrophobicContact CG2-CB 4.35Å; V38-F75 HydrophobicContact CG2-CD2 4.21Å; C39-F75 PolarHBondContact N-O 2.84Å; Y56-F75 AromaticContact CE1-CE1 3.7Å; Y56-F75 HydrophobicContact CE1-CE1 3.7Å; Y56-F75 AromaticContact CE1-CZ 3.92Å; Y56-F75 HydrophobicContact CE1-CZ 3.92Å; L57-F75 HydrophobicContact CD2-CE2 4.38Å; L57-F75 HydrophobicContact CD2-CZ 3.98Å; V73-F75 HydrophobicContact CG1-CD2 4.42Å; V73-F75 HydrophobicContact CG1-CE1 4.49Å; V73-F75 HydrophobicContact CG1-CE2 3.61Å; V73-F75 HydrophobicContact CG1-CZ 3.65Å; F75-L78 HydrophobicContact CB-CB 4.2Å; F75-L78 HydrophobicContact CB-CD1 3.95Å; F75-L78 HydrophobicContact CB-CG 4.13Å; F75-L78 HydrophobicContact CD1-CD1 3.8Å; F75-L78 HydrophobicContact CD1-CG 4.49Å; F75-L78 HydrophobicContact CD2-CD1 4.42Å; F75-L78 HydrophobicContact CE1-CD1 4.41Å; F75-L78 HydrophobicContact CG-CD1 3.8Å; F75-L78 HydrophobicContact CG-CG 4.48Å; F75-L112 HydrophobicContact CE1-CD2 3.96Å; F75-L112 HydrophobicContact CE2-CD2 4.28Å; F75-L112 HydrophobicContact CZ-CD2 3.59Å
76	D	91.4	Very high	86.1	Confident	101 Å²	101	62.2 Å²	62.2	54%	0.54	33%	0.332	S	S	.	.	S	Bend	trans	-96.6	-8.3	-178.4	-69.6	-44.6	0	0	0	113.2	C39 K74	C39-D76 PolarHBondContact SG-O 3.24Å; C39-D76 VanDerWaalsContact SG-O 3.41Å; K74-D76 WeakPolarHBondContact CE-OD1 3.4Å; K74-D76 IonicContact NZ-OD1 2.63Å; K74-D76 PolarHBondContact NZ-OD1 2.87Å; K74-D76 IonicContact NZ-OD2 2.79Å; K74-D76 PolarHBondContact NZ-OD2 3.46Å
77	D	89.8	Confident	87.8	Confident	108 Å²	108	56.9 Å²	56.9	58%	0.578	30%	0.303	S	S	*	.	S	Bend	trans	-121.1	10.3	-171.7	66.1	-32.6	0	0	0	113.3	K111	D77-K111 IonicContact OD1-NZ 3.8Å; D77-K111 PolarHBondContact OD1-NZ 3Å; D77-K111 IonicContact OD2-NZ 3.33Å; D77-K111 PolarHBondContact OD2-NZ 3.28Å
78	L	94.2	Very high	89.5	Confident	12 Å²	12	54.5 Å²	54.5	6%	0.063	28%	0.283	C	S	.	.	S	Bend	trans	-109.7	144.5	177.6	-66.8	-176.4	0	0	0	110.9	V38 C39 F75 P80 V83 A108 K111	V38-L78 HydrophobicContact CG1-CB 3.94Å; V38-L78 WeakPolarHBondContact CG1-O 3.35Å; C39-L78 PolarHBondContact SG-O 2.78Å; F75-L78 HydrophobicContact CB-CB 4.2Å; F75-L78 HydrophobicContact CB-CD1 3.95Å; F75-L78 HydrophobicContact CB-CG 4.13Å; F75-L78 HydrophobicContact CD1-CD1 3.8Å; F75-L78 HydrophobicContact CD1-CG 4.49Å; F75-L78 HydrophobicContact CD2-CD1 4.42Å; F75-L78 HydrophobicContact CE1-CD1 4.41Å; F75-L78 HydrophobicContact CG-CD1 3.8Å; F75-L78 HydrophobicContact CG-CG 4.48Å; L78-P80 WeakPolarHBondContact O-CD 3.33Å; L78-V83 HydrophobicContact CB-CG2 3.93Å; L78-V83 HydrophobicContact CD1-CG2 3.85Å; L78-A108 HydrophobicContact CD1-CB 4.42Å; L78-A108 HydrophobicContact CD2-CB 4.06Å; L78-K111 HydrophobicContact CD1-CD 4.21Å; L78-K111 HydrophobicContact CD2-CB 4.42Å; L78-K111 HydrophobicContact CD2-CD 3.88Å; L78-K111 HydrophobicContact CG-CD 4.14Å
79	N	95.1	Very high	91.4	Very high	52 Å²	52	47.5 Å²	47.5	28%	0.278	25%	0.249	S	C	.	.			trans	-69.7	124.5	170.2	-176.7	-31.6	0	0	0	109.6	E81 A82 V83 D104	N79-E81 PolarHBondContact O-N 2.74Å; N79-E81 PolarHBondContact OD1-N 2.8Å; N79-A82 HydrophobicContact CB-CB 3.99Å; N79-A82 PolarHBondContact O-N 3.41Å; N79-V83 PolarHBondContact O-N 2.9Å; N79-V83 VanDerWaalsContact O-N 3.16Å; N79-D104 HydrophobicContact CB-CB 3.95Å; N79-D104 PolarHBondContact ND2-OD2 3.05Å
80	P	96.5	Very high	92.6	Very high	21 Å²	21	45.6 Å²	45.6	14%	0.136	23%	0.228	C	C	.	.	H	α-helix	trans	-54.8	-45.5	178.4	-25.4	33.7	0	0	0	113.6	V38 C39 H41 M43 L78 A82 V83 E84	V38-P80 HydrophobicContact CB-CB 4.48Å; V38-P80 HydrophobicContact CB-CG 4.46Å; V38-P80 HydrophobicContact CG1-CB 4.31Å; V38-P80 HydrophobicContact CG1-CG 4.06Å; C39-P80 HydrophobicContact CB-CG 4.09Å; H41-P80 HydrophobicContact CB-CB 4.15Å; H41-P80 HydrophobicContact CB-CG 4.4Å; M43-P80 HydrophobicContact CE-CB 4.49Å; M43-P80 WeakPolarHBondContact CE-O 3.23Å; L78-P80 WeakPolarHBondContact O-CD 3.33Å; P80-A82 VanDerWaalsContact C-N 3.29Å; P80-A82 PolarHBondContact O-N 2.89Å; P80-V83 PolarHBondContact O-N 2.92Å; P80-E84 PolarHBondContact O-N 3Å
81	E	96.9	Very high	93.6	Very high	122 Å²	122	42.5 Å²	42.5	57%	0.57	21%	0.212	S	C	*	.	H	α-helix	trans	-63.5	-37.9	-178.3	-64.4	-178.9	-170.8	0	0	111.3	N79 E84 V85 L101	N79-E81 PolarHBondContact O-N 2.74Å; N79-E81 PolarHBondContact OD1-N 2.8Å; E81-E84 WeakPolarHBondContact O-CB 3.35Å; E81-E84 PolarHBondContact O-N 3.06Å; E81-V85 WeakPolarHBondContact O-CG2 3.15Å; E81-V85 PolarHBondContact O-N 3.34Å; E81-L101 HydrophobicContact CB-CD1 4.06Å; E81-L101 HydrophobicContact CB-CD2 3.95Å
82	A	97.5	Very high	94.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-41.6	176.5	0	0	0	0	0	112	N79 P80 E84 V85 L86 L101 D104 V105 A108	N79-A82 HydrophobicContact CB-CB 3.99Å; N79-A82 PolarHBondContact O-N 3.41Å; P80-A82 VanDerWaalsContact C-N 3.29Å; P80-A82 PolarHBondContact O-N 2.89Å; A82-E84 VanDerWaalsContact C-N 3.3Å; A82-E84 PolarHBondContact O-N 2.79Å; A82-V85 PolarHBondContact O-N 2.88Å; A82-L86 WeakPolarHBondContact O-CG 3.35Å; A82-L86 PolarHBondContact O-N 3.04Å; A82-L101 HydrophobicContact CB-CD1 4.27Å; A82-L101 HydrophobicContact CB-CG 4.42Å; A82-D104 HydrophobicContact CB-CB 3.73Å; A82-V105 HydrophobicContact CB-CG2 4.06Å; A82-A108 HydrophobicContact CB-CB 4.38Å
83	V	96.8	Very high	94.3	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-65.2	-37.2	174.3	178.6	0	0	0	0	110.6	L36 V38 M43 L78 N79 P80 V85 L86 L87 A108	L36-V83 HydrophobicContact CD1-CG1 4.32Å; V38-V83 HydrophobicContact CG1-CG2 4.13Å; V38-V83 HydrophobicContact CG2-CB 4.17Å; V38-V83 HydrophobicContact CG2-CG1 4.04Å; V38-V83 HydrophobicContact CG2-CG2 4.07Å; M43-V83 HydrophobicContact SD-CG1 4.22Å; L78-V83 HydrophobicContact CB-CG2 3.93Å; L78-V83 HydrophobicContact CD1-CG2 3.85Å; N79-V83 PolarHBondContact O-N 2.9Å; N79-V83 VanDerWaalsContact O-N 3.16Å; P80-V83 PolarHBondContact O-N 2.92Å; V83-V85 VanDerWaalsContact C-N 3.35Å; V83-V85 PolarHBondContact O-N 3.34Å; V83-L86 PolarHBondContact O-N 2.79Å; V83-L86 VanDerWaalsContact O-N 3.16Å; V83-L87 HydrophobicContact CG1-CG 4.42Å; V83-L87 WeakPolarHBondContact O-CG 3.48Å; V83-L87 PolarHBondContact O-N 3.3Å; V83-A108 HydrophobicContact CG2-CB 4.42Å
84	E	95.9	Very high	94.5	Very high	91 Å²	91	48.7 Å²	48.7	43%	0.425	26%	0.257	S	S	.	.	H	α-helix	trans	-62.2	-41	175.1	-161.2	176.2	168.8	0	0	112.5	M43 P80 E81 A82 L86 L87 N88	M43-E84 HydrophobicContact CE-CB 3.68Å; M43-E84 HydrophobicContact CE-CG 4.14Å; M43-E84 HydrophobicContact SD-CB 4.4Å; P80-E84 PolarHBondContact O-N 3Å; E81-E84 WeakPolarHBondContact O-CB 3.35Å; E81-E84 PolarHBondContact O-N 3.06Å; A82-E84 VanDerWaalsContact C-N 3.3Å; A82-E84 PolarHBondContact O-N 2.79Å; E84-L86 VanDerWaalsContact C-N 3.3Å; E84-L86 PolarHBondContact O-N 3.02Å; E84-L87 PolarHBondContact O-N 2.74Å; E84-N88 WeakPolarHBondContact O-CB 3.45Å; E84-N88 VanDerWaalsContact O-CG 3.32Å; E84-N88 PolarHBondContact O-N 2.9Å; E84-N88 PolarHBondContact O-ND2 3.3Å
85	V	97.6	Very high	94.7	Very high	14 Å²	14	45.9 Å²	45.9	9%	0.085	25%	0.247	C	C	.	.	H	α-helix	trans	-58.6	-43.4	173.3	170.2	0	0	0	0	110.9	E81 A82 V83 N88 Y89 L95 K96 A97 L101 V105	E81-V85 WeakPolarHBondContact O-CG2 3.15Å; E81-V85 PolarHBondContact O-N 3.34Å; A82-V85 PolarHBondContact O-N 2.88Å; V83-V85 VanDerWaalsContact C-N 3.35Å; V83-V85 PolarHBondContact O-N 3.34Å; V85-N88 PolarHBondContact O-N 3.14Å; V85-Y89 WeakPolarHBondContact O-CB 3.45Å; V85-Y89 PolarHBondContact O-N 2.85Å; V85-L95 HydrophobicContact CG1-CD1 3.72Å; V85-K96 WeakPolarHBondContact CG2-O 3.45Å; V85-A97 HydrophobicContact CG1-CB 4.14Å; V85-A97 HydrophobicContact CG2-CB 4.48Å; V85-L101 HydrophobicContact CG2-CD2 3.89Å; V85-V105 HydrophobicContact CB-CG2 4.16Å; V85-V105 HydrophobicContact CG1-CG1 4.11Å; V85-V105 HydrophobicContact CG1-CG2 4.09Å; V85-V105 HydrophobicContact CG2-CG2 4.41Å
86	L	97.6	Very high	94.8	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.026	28%	0.284	C	S	.	.	H	α-helix	trans	-67.6	-38.2	177.9	-63	-179.3	0	0	0	112.6	A82 V83 E84 Y89 A90 V105 A108 A109 L112 M114 V117	A82-L86 WeakPolarHBondContact O-CG 3.35Å; A82-L86 PolarHBondContact O-N 3.04Å; V83-L86 PolarHBondContact O-N 2.79Å; V83-L86 VanDerWaalsContact O-N 3.16Å; E84-L86 VanDerWaalsContact C-N 3.3Å; E84-L86 PolarHBondContact O-N 3.02Å; L86-Y89 PolarHBondContact O-N 2.84Å; L86-A90 PolarHBondContact O-N 3.5Å; L86-V105 HydrophobicContact CD2-CG1 3.77Å; L86-V105 HydrophobicContact CG-CG1 4.37Å; L86-A108 HydrophobicContact CD1-CB 3.53Å; L86-A109 HydrophobicContact CD1-CB 4.33Å; L86-A109 HydrophobicContact CD2-CB 4.11Å; L86-L112 HydrophobicContact CD1-CD1 3.85Å; L86-M114 HydrophobicContact CB-SD 4.04Å; L86-M114 HydrophobicContact CD1-SD 4.08Å; L86-M114 HydrophobicContact CD2-SD 4.16Å; L86-M114 HydrophobicContact CG-SD 4.32Å; L86-V117 HydrophobicContact CD2-CB 4.33Å; L86-V117 HydrophobicContact CD2-CG1 3.56Å
87	L	95.1	Very high	95	Very high	5 Å²	5	51 Å²	51	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-49.7	171.9	-71.2	179.9	0	0	0	110.2	L36 M43 A45 L50 V83 E84 Y89 A90 Y91	L36-L87 HydrophobicContact CD1-CD1 4.39Å; L36-L87 HydrophobicContact CD1-CD2 3.93Å; M43-L87 HydrophobicContact CB-CD1 3.82Å; M43-L87 HydrophobicContact CG-CD1 4.26Å; M43-L87 HydrophobicContact SD-CD1 3.57Å; M43-L87 VanDerWaalsContact SD-CD1 3.57Å; A45-L87 HydrophobicContact CB-CD2 4.38Å; L50-L87 HydrophobicContact CD1-CD2 3.9Å; L50-L87 HydrophobicContact CD2-CD2 3.4Å; L50-L87 VanDerWaalsContact CD2-CD2 3.4Å; L50-L87 HydrophobicContact CG-CD2 4.28Å; V83-L87 HydrophobicContact CG1-CG 4.42Å; V83-L87 WeakPolarHBondContact O-CG 3.48Å; V83-L87 PolarHBondContact O-N 3.3Å; E84-L87 PolarHBondContact O-N 2.74Å; L87-Y89 VanDerWaalsContact C-N 3.28Å; L87-Y89 PolarHBondContact O-N 2.84Å; L87-A90 WeakPolarHBondContact O-CB 3.15Å; L87-A90 PolarHBondContact O-N 2.71Å; L87-Y91 VanDerWaalsContact O-CD2 3.28Å; L87-Y91 WeakPolarHBondContact O-CD2 3.49Å; L87-Y91 PolarHBondContact O-N 3Å
88	N	94.8	Very high	95.2	Very high	47 Å²	47	51.8 Å²	51.8	25%	0.251	28%	0.276	S	S	.	.	H	α-helix	trans	-58.2	-42.7	177.8	-73.1	-34.5	0	0	0	111.2	R26 E84 V85 A90 Y91 T92	R26-N88 PolarHBondContact NH2-OD1 3.16Å; E84-N88 WeakPolarHBondContact O-CB 3.45Å; E84-N88 VanDerWaalsContact O-CG 3.32Å; E84-N88 PolarHBondContact O-N 2.9Å; E84-N88 PolarHBondContact O-ND2 3.3Å; V85-N88 PolarHBondContact O-N 3.14Å; N88-A90 PolarHBondContact O-N 2.83Å; N88-Y91 CarbonylContact O-C 3.46Å; N88-Y91 PolarHBondContact O-N 2.68Å; N88-T92 WeakPolarHBondContact O-CB 3.42Å; N88-T92 WeakPolarHBondContact O-CG2 3.4Å; N88-T92 PolarHBondContact O-N 2.84Å; N88-T92 PolarHBondContact O-OG1 3Å
89	Y	96.1	Very high	95.1	Very high	34 Å²	34	59.1 Å²	59.1	13%	0.133	31%	0.307	C	S	.	.	H	α-helix	trans	-57.7	-44.8	172.9	169	-95.5	0	0	0	112.6	V85 L86 L87 Y91 T92 A93 Q94 L95 M114 V117	V85-Y89 WeakPolarHBondContact O-CB 3.45Å; V85-Y89 PolarHBondContact O-N 2.85Å; L86-Y89 PolarHBondContact O-N 2.84Å; L87-Y89 VanDerWaalsContact C-N 3.28Å; L87-Y89 PolarHBondContact O-N 2.84Å; Y89-Y91 PolarHBondContact O-N 3.04Å; Y89-Y91 VanDerWaalsContact O-N 3.17Å; Y89-T92 PolarHBondContact O-N 2.92Å; Y89-A93 WeakPolarHBondContact O-CA 3.36Å; Y89-A93 PolarHBondContact O-N 2.85Å; Y89-Q94 WeakPolarHBondContact CA-O 3.44Å; Y89-L95 HydrophobicContact CD2-CB 4.04Å; Y89-L95 HydrophobicContact CD2-CD1 4.43Å; Y89-L95 HydrophobicContact CG-CD1 4.4Å; Y89-M114 HydrophobicContact CD1-CE 3.6Å; Y89-M114 HydrophobicContact CE1-CE 3.82Å; Y89-V117 HydrophobicContact CD1-CG2 3.58Å; Y89-V117 HydrophobicContact CD2-CG2 4.23Å; Y89-V117 HydrophobicContact CE1-CG2 3.33Å; Y89-V117 HydrophobicContact CE2-CG2 4.02Å; Y89-V117 HydrophobicContact CG-CG2 4.03Å
90	A	94.8	Very high	95	Very high	15 Å²	15	65.5 Å²	65.5	12%	0.124	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-27.4	178.7	0	0	0	0	0	113.5	V49 L50 C53 L86 L87 N88	V49-A90 HydrophobicContact CG1-CB 4.35Å; L50-A90 HydrophobicContact CD2-CB 4.22Å; C53-A90 HydrophobicContact CB-CB 4.13Å; L86-A90 PolarHBondContact O-N 3.5Å; L87-A90 WeakPolarHBondContact O-CB 3.15Å; L87-A90 PolarHBondContact O-N 2.71Å; N88-A90 PolarHBondContact O-N 2.83Å
91	Y	94.6	Very high	95	Very high	3 Å²	3	65.3 Å²	65.3	1%	0.012	33%	0.333	C	S	.	.	H	α-helix	trans	-106.6	2.5	-178	-74.2	-94.8	0	0	0	114.3	V19 L22 N23 R26 H46 V49 L50 L87 N88 Y89	V19-Y91 WeakPolarHBondContact CG1-O 3.49Å; L22-Y91 HydrophobicContact CB-CD1 4.13Å; L22-Y91 HydrophobicContact CB-CE1 4.26Å; N23-Y91 HydrophobicContact CB-CD1 4.3Å; N23-Y91 HydrophobicContact CB-CG 4.47Å; R26-Y91 HydrophobicContact CB-CD1 4.39Å; R26-Y91 HydrophobicContact CB-CE1 4Å; H46-Y91 WeakPolarHBondContact CB-OH 3.46Å; H46-Y91 PolarHBondContact N-OH 3.26Å; H46-Y91 AromaticContact ND1-CE1 3.54Å; H46-Y91 AromaticContact ND1-CZ 3.64Å; H46-Y91 PolarHBondContact ND1-OH 2.84Å; V49-Y91 HydrophobicContact CB-CE1 4.02Å; V49-Y91 HydrophobicContact CB-CE2 4.14Å; V49-Y91 HydrophobicContact CG1-CD1 4.13Å; V49-Y91 HydrophobicContact CG1-CD2 3.99Å; V49-Y91 HydrophobicContact CG1-CE1 3.8Å; V49-Y91 HydrophobicContact CG1-CE2 3.63Å; V49-Y91 HydrophobicContact CG1-CG 4.23Å; V49-Y91 HydrophobicContact CG2-CE1 3.81Å; L50-Y91 HydrophobicContact CD2-CE2 4.14Å; L87-Y91 VanDerWaalsContact O-CD2 3.28Å; L87-Y91 WeakPolarHBondContact O-CD2 3.49Å; L87-Y91 PolarHBondContact O-N 3Å; N88-Y91 CarbonylContact O-C 3.46Å; N88-Y91 PolarHBondContact O-N 2.68Å; Y89-Y91 PolarHBondContact O-N 3.04Å; Y89-Y91 VanDerWaalsContact O-N 3.17Å
92	T	92.3	Very high	95	Very high	49 Å²	49	60 Å²	60	30%	0.301	31%	0.309	S	S	.	.	H	α-helix	trans	-138.8	-13.4	-178.2	62.9	0	0	0	0	113.7	N23 N88 Y89 Q94	N23-T92 WeakPolarHBondContact ND2-CG2 3.42Å; N88-T92 WeakPolarHBondContact O-CB 3.42Å; N88-T92 WeakPolarHBondContact O-CG2 3.4Å; N88-T92 PolarHBondContact O-N 2.84Å; N88-T92 PolarHBondContact O-OG1 3Å; Y89-T92 PolarHBondContact O-N 2.92Å; T92-Q94 PolarHBondContact O-N 2.86Å; T92-Q94 VanDerWaalsContact O-N 3.08Å; T92-Q94 PolarHBondContact OG1-N 2.96Å; T92-Q94 VanDerWaalsContact OG1-N 3.15Å; T92-Q94 PolarHBondContact OG1-O 3.21Å
93	A	90.9	Very high	94.9	Very high	80 Å²	80	62.9 Å²	62.9	66%	0.661	32%	0.321	S	S	*	.	S	Bend	trans	56.1	12.8	-166.3	0	0	0	0	0	114.3	Y89	Y89-A93 WeakPolarHBondContact O-CA 3.36Å; Y89-A93 PolarHBondContact O-N 2.85Å
94	Q	92.3	Very high	94.9	Very high	141 Å²	141	65.8 Å²	65.8	66%	0.659	34%	0.337	S	S	*	.			trans	-108.9	125.8	178.3	-65.4	-177.8	7.6	0	0	110.3	Y89 T92	Y89-Q94 WeakPolarHBondContact CA-O 3.44Å; T92-Q94 PolarHBondContact O-N 2.86Å; T92-Q94 VanDerWaalsContact O-N 3.08Å; T92-Q94 PolarHBondContact OG1-N 2.96Å; T92-Q94 VanDerWaalsContact OG1-N 3.15Å; T92-Q94 PolarHBondContact OG1-O 3.21Å
95	L	96.1	Very high	95	Very high	57 Å²	57	61.4 Å²	61.4	30%	0.298	32%	0.316	S	S	.	.			trans	-98.9	99.3	175.2	-171.5	73.3	0	0	0	109.1	V85 Y89 V105 V117 V120	V85-L95 HydrophobicContact CG1-CD1 3.72Å; Y89-L95 HydrophobicContact CD2-CB 4.04Å; Y89-L95 HydrophobicContact CD2-CD1 4.43Å; Y89-L95 HydrophobicContact CG-CD1 4.4Å; L95-V105 HydrophobicContact CD1-CG1 4.19Å; L95-V117 HydrophobicContact CD1-CG1 3.62Å; L95-V117 HydrophobicContact CD1-CG2 4.48Å; L95-V117 HydrophobicContact CD2-CG1 3.81Å; L95-V117 HydrophobicContact CG-CG1 4.38Å; L95-V120 HydrophobicContact CD2-CG1 4.14Å
96	K	95.1	Very high	95	Very high	179 Å²	179	60.8 Å²	60.8	78%	0.778	31%	0.313	S	S	*	.			trans	-113.1	105.2	177.4	-172.1	179.4	179.8	-175.9	0	109.1	V85	V85-K96 WeakPolarHBondContact CG2-O 3.45Å
97	A	95.2	Very high	95	Very high	35 Å²	35	62 Å²	62	29%	0.289	32%	0.321	S	S	.	.			trans	-129	142.4	178.3	0	0	0	0	0	109.8	V85 V102 V105	V85-A97 HydrophobicContact CG1-CB 4.14Å; V85-A97 HydrophobicContact CG2-CB 4.48Å; A97-V102 HydrophobicContact CB-CG2 4.36Å; A97-V105 HydrophobicContact CB-CG2 3.95Å
98	D	94.3	Very high	95.1	Very high	123 Å²	123	61.8 Å²	61.8	66%	0.658	32%	0.32	S	S	*	.			trans	-71.2	153.1	169.8	-69.2	-31.7	0	0	0	110.6	E100 L101 V102	D98-E100 PolarHBondContact O-N 2.83Å; D98-L101 PolarHBondContact O-N 2.87Å; D98-V102 WeakPolarHBondContact O-CG2 3.35Å; D98-V102 PolarHBondContact O-N 3.47Å
99	K	92.2	Very high	95.2	Very high	166 Å²	166	59.5 Å²	59.5	72%	0.722	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-39	-170.4	-57.1	-175.4	-178.6	167	0	112.7	L101 Y124	K99-L101 VanDerWaalsContact C-N 3.33Å; K99-Y124 WeakPolarHBondContact CG-OH 3.47Å
100	E	93.1	Very high	95.2	Very high	186 Å²	186	61.4 Å²	61.4	87%	0.869	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-30.7	-178.6	-64.4	174	-168.4	0	0	111.7	D98	D98-E100 PolarHBondContact O-N 2.83Å
101	L	95.9	Very high	95.2	Very high	18 Å²	18	63.9 Å²	63.9	9%	0.094	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-15.3	-177.3	-164.4	66.7	0	0	0	113	E81 A82 V85 D98 K99 K103 D104 V105	E81-L101 HydrophobicContact CB-CD1 4.06Å; E81-L101 HydrophobicContact CB-CD2 3.95Å; A82-L101 HydrophobicContact CB-CD1 4.27Å; A82-L101 HydrophobicContact CB-CG 4.42Å; V85-L101 HydrophobicContact CG2-CD2 3.89Å; D98-L101 PolarHBondContact O-N 2.87Å; K99-L101 VanDerWaalsContact C-N 3.33Å; L101-K103 VanDerWaalsContact C-N 3.27Å; L101-K103 PolarHBondContact O-N 2.85Å; L101-K103 VanDerWaalsContact O-N 3.16Å; L101-D104 HydrophobicContact CD1-CB 4.12Å; L101-D104 WeakPolarHBondContact O-CB 3.19Å; L101-D104 PolarHBondContact O-N 2.75Å; L101-V105 HydrophobicContact CD2-CG2 4.21Å; L101-V105 HydrophobicContact CG-CG2 3.96Å; L101-V105 WeakPolarHBondContact O-CG2 3.48Å; L101-V105 PolarHBondContact O-N 3.36Å
102	V	96.8	Very high	95.2	Very high	9 Å²	9	64 Å²	64	6%	0.055	33%	0.326	C	S	.	.	H	α-helix	trans	-58.1	-35	-172.3	179.9	0	0	0	0	113.2	A97 D98 V105 Y106 C121 Y124 L125	A97-V102 HydrophobicContact CB-CG2 4.36Å; D98-V102 WeakPolarHBondContact O-CG2 3.35Å; D98-V102 PolarHBondContact O-N 3.47Å; V102-V105 PolarHBondContact O-N 2.74Å; V102-Y106 WeakPolarHBondContact O-CB 3.34Å; V102-Y106 PolarHBondContact O-N 2.66Å; V102-C121 HydrophobicContact CG1-CB 3.96Å; V102-Y124 HydrophobicContact CB-CD1 4.36Å; V102-Y124 HydrophobicContact CG1-CD1 3.87Å; V102-Y124 HydrophobicContact CG1-CE1 4.49Å; V102-Y124 HydrophobicContact CG2-CD1 4.06Å; V102-Y124 HydrophobicContact CG2-CE1 3.93Å; V102-L125 HydrophobicContact CB-CD2 4.42Å; V102-L125 HydrophobicContact CG1-CD2 4.05Å; V102-L125 HydrophobicContact CG1-CG 4.11Å
103	K	95.9	Very high	95.4	Very high	61 Å²	61	66 Å²	66	27%	0.265	33%	0.33	S	S	.	.	H	α-helix	trans	-63.6	-43.2	175.3	-72	-177.4	-179.7	178.6	0	111.3	L101 Y106 S107 L125 S136 Y137 F140	L101-K103 VanDerWaalsContact C-N 3.27Å; L101-K103 PolarHBondContact O-N 2.85Å; L101-K103 VanDerWaalsContact O-N 3.16Å; K103-Y106 WeakPolarHBondContact O-CB 3.48Å; K103-Y106 PolarHBondContact O-N 3.49Å; K103-S107 PolarHBondContact O-N 2.97Å; K103-S107 PolarHBondContact O-OG 3.14Å; K103-L125 HydrophobicContact CG-CD1 4.49Å; K103-L125 HydrophobicContact CG-CD2 4.06Å; K103-S136 PolarHBondContact NZ-OG 3.45Å; K103-Y137 VanDerWaalsContact CE-CE1 3.41Å; K103-F140 HydrophobicContact CB-CD2 4.47Å; K103-F140 HydrophobicContact CB-CE2 3.92Å; K103-F140 HydrophobicContact CB-CZ 4.03Å; K103-F140 HydrophobicContact CD-CD2 4.37Å; K103-F140 HydrophobicContact CG-CD2 4.48Å; K103-F140 HydrophobicContact CG-CE2 4.31Å; K103-F140 HydrophobicContact CG-CZ 4.3Å; K103-F140 WeakPolarHBondContact O-CZ 3.39Å
104	D	96.9	Very high	95.7	Very high	63 Å²	63	62.8 Å²	62.8	34%	0.337	30%	0.302	S	S	.	.	H	α-helix	trans	-69.5	-39.8	177.6	-65.4	-30.1	0	0	0	111.9	N79 A82 L101 Y106 S107 A108	N79-D104 HydrophobicContact CB-CB 3.95Å; N79-D104 PolarHBondContact ND2-OD2 3.05Å; A82-D104 HydrophobicContact CB-CB 3.73Å; L101-D104 HydrophobicContact CD1-CB 4.12Å; L101-D104 WeakPolarHBondContact O-CB 3.19Å; L101-D104 PolarHBondContact O-N 2.75Å; D104-Y106 VanDerWaalsContact C-N 3.31Å; D104-Y106 PolarHBondContact O-N 3.06Å; D104-S107 PolarHBondContact O-N 3.49Å; D104-A108 WeakPolarHBondContact O-CB 3.28Å; D104-A108 PolarHBondContact O-N 2.78Å
105	V	98	Very high	95.8	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.4	-42.2	173.4	-177.4	0	0	0	0	110.6	A82 V85 L86 L95 A97 L101 V102 A109 V117	A82-V105 HydrophobicContact CB-CG2 4.06Å; V85-V105 HydrophobicContact CB-CG2 4.16Å; V85-V105 HydrophobicContact CG1-CG1 4.11Å; V85-V105 HydrophobicContact CG1-CG2 4.09Å; V85-V105 HydrophobicContact CG2-CG2 4.41Å; L86-V105 HydrophobicContact CD2-CG1 3.77Å; L86-V105 HydrophobicContact CG-CG1 4.37Å; L95-V105 HydrophobicContact CD1-CG1 4.19Å; A97-V105 HydrophobicContact CB-CG2 3.95Å; L101-V105 HydrophobicContact CD2-CG2 4.21Å; L101-V105 HydrophobicContact CG-CG2 3.96Å; L101-V105 WeakPolarHBondContact O-CG2 3.48Å; L101-V105 PolarHBondContact O-N 3.36Å; V102-V105 PolarHBondContact O-N 2.74Å; V105-A109 WeakPolarHBondContact O-CB 3.36Å; V105-A109 PolarHBondContact O-N 3.24Å; V105-V117 HydrophobicContact CG1-CG1 4.2Å
106	Y	97.8	Very high	95.8	Very high	1 Å²	1	67.2 Å²	67.2	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-59.8	-47	173.9	177.7	-77.1	0	0	0	111	V102 K103 D104 A109 K110 K118 C121 F140 M144 D146 L149	V102-Y106 WeakPolarHBondContact O-CB 3.34Å; V102-Y106 PolarHBondContact O-N 2.66Å; K103-Y106 WeakPolarHBondContact O-CB 3.48Å; K103-Y106 PolarHBondContact O-N 3.49Å; D104-Y106 VanDerWaalsContact C-N 3.31Å; D104-Y106 PolarHBondContact O-N 3.06Å; Y106-A109 PolarHBondContact O-N 2.66Å; Y106-K110 PolarHBondContact O-N 2.87Å; Y106-K118 HydrophobicContact CD2-CG 3.93Å; Y106-K118 VanDerWaalsContact CD2-O 3.29Å; Y106-K118 WeakPolarHBondContact CD2-O 3.47Å; Y106-K118 HydrophobicContact CE1-CG 4.26Å; Y106-K118 HydrophobicContact CE2-CD 4.38Å; Y106-K118 HydrophobicContact CE2-CG 3.48Å; Y106-K118 VanDerWaalsContact CE2-CG 3.48Å; Y106-K118 WeakPolarHBondContact CE2-O 3.19Å; Y106-K118 HydrophobicContact CG-CG 4.48Å; Y106-C121 HydrophobicContact CD2-CB 3.91Å; Y106-C121 HydrophobicContact CG-CB 4.36Å; Y106-F140 AromaticContact CD1-CE1 3.68Å; Y106-F140 HydrophobicContact CD1-CE1 3.68Å; Y106-F140 AromaticContact CD1-CZ 3.47Å; Y106-F140 HydrophobicContact CD1-CZ 3.47Å; Y106-F140 VanDerWaalsContact CD1-CZ 3.47Å; Y106-F140 HydrophobicContact CE1-CE1 4.07Å; Y106-F140 HydrophobicContact CE1-CZ 4.16Å; Y106-F140 HydrophobicContact CG-CE1 4.11Å; Y106-F140 HydrophobicContact CG-CZ 4.04Å; Y106-M144 HydrophobicContact CD1-CE 3.91Å; Y106-M144 HydrophobicContact CD1-CG 4.23Å; Y106-M144 HydrophobicContact CE1-CB 4.05Å; Y106-M144 HydrophobicContact CE1-CE 3.72Å; Y106-M144 HydrophobicContact CE1-CG 3.82Å; Y106-D146 WeakPolarHBondContact OH-CB 3.38Å; Y106-D146 VanDerWaalsContact OH-CG 3.24Å; Y106-D146 PolarHBondContact OH-OD2 2.89Å; Y106-L149 HydrophobicContact CE2-CD2 4.32Å
107	S	96.4	Very high	95.9	Very high	29 Å²	29	58.9 Å²	58.9	20%	0.203	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-48.6	179.7	-63.2	0	0	0	0	112.5	K103 D104 A109 K110 K111 M144	K103-S107 PolarHBondContact O-N 2.97Å; K103-S107 PolarHBondContact O-OG 3.14Å; D104-S107 PolarHBondContact O-N 3.49Å; S107-A109 PolarHBondContact O-N 2.88Å; S107-K110 PolarHBondContact O-N 3.05Å; S107-K111 PolarHBondContact O-N 3.48Å; S107-M144 PolarHBondContact OG-SD 2.95Å
108	A	97.1	Very high	95.9	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-42.8	175.7	0	0	0	0	0	111.4	L78 A82 V83 L86 D104 K110 K111 L112	L78-A108 HydrophobicContact CD1-CB 4.42Å; L78-A108 HydrophobicContact CD2-CB 4.06Å; A82-A108 HydrophobicContact CB-CB 4.38Å; V83-A108 HydrophobicContact CG2-CB 4.42Å; L86-A108 HydrophobicContact CD1-CB 3.53Å; D104-A108 WeakPolarHBondContact O-CB 3.28Å; D104-A108 PolarHBondContact O-N 2.78Å; A108-K110 VanDerWaalsContact C-N 3.35Å; A108-K110 PolarHBondContact O-N 2.89Å; A108-K111 PolarHBondContact O-N 3.28Å; A108-L112 WeakPolarHBondContact O-CB 3.44Å; A108-L112 VanDerWaalsContact O-CG 3.3Å; A108-L112 WeakPolarHBondContact O-CG 3.5Å; A108-L112 PolarHBondContact O-N 3.06Å
109	A	97.5	Very high	96	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.1	-40.9	177.8	0	0	0	0	0	111.6	L86 V105 Y106 S107 K113 M114 V117 K118	L86-A109 HydrophobicContact CD1-CB 4.33Å; L86-A109 HydrophobicContact CD2-CB 4.11Å; V105-A109 WeakPolarHBondContact O-CB 3.36Å; V105-A109 PolarHBondContact O-N 3.24Å; Y106-A109 PolarHBondContact O-N 2.66Å; S107-A109 PolarHBondContact O-N 2.88Å; A109-K113 PolarHBondContact O-N 2.69Å; A109-K113 VanDerWaalsContact O-N 3.14Å; A109-M114 HydrophobicContact CB-CB 4.19Å; A109-M114 PolarHBondContact O-N 2.9Å; A109-V117 HydrophobicContact CB-CB 4.06Å; A109-V117 HydrophobicContact CB-CG1 3.87Å; A109-K118 HydrophobicContact CB-CB 4.2Å
110	K	95.5	Very high	96.2	Very high	73 Å²	73	52.5 Å²	52.5	32%	0.317	25%	0.245	S	C	.	.	H	α-helix	trans	-61.5	-50.5	174	-175.4	178.6	-175.2	157.7	0	110.9	Y106 S107 A108 L112 K113 K118 M144 G145	Y106-K110 PolarHBondContact O-N 2.87Å; S107-K110 PolarHBondContact O-N 3.05Å; A108-K110 VanDerWaalsContact C-N 3.35Å; A108-K110 PolarHBondContact O-N 2.89Å; K110-L112 VanDerWaalsContact C-N 3.33Å; K110-L112 PolarHBondContact O-N 2.98Å; K110-K113 PolarHBondContact O-N 2.94Å; K110-K118 HydrophobicContact CB-CD 4.01Å; K110-K118 HydrophobicContact CB-CG 4.32Å; K110-K118 HydrophobicContact CG-CD 4.14Å; K110-M144 HydrophobicContact CB-CE 3.78Å; K110-M144 HydrophobicContact CD-CE 3.5Å; K110-M144 VanDerWaalsContact CD-CE 3.5Å; K110-M144 HydrophobicContact CG-CE 4.16Å; K110-M144 PolarHBondContact NZ-O 3.25Å; K110-G145 PolarHBondContact NZ-O 3.25Å
111	K	94.8	Very high	96.4	Very high	67 Å²	67	43.9 Å²	43.9	29%	0.291	21%	0.205	S	C	.	.	H	α-helix	trans	-60.8	-43.5	-178.1	-174.7	167.5	-176.4	171.3	0	111.8	D77 L78 S107 A108 K113	D77-K111 IonicContact OD1-NZ 3.8Å; D77-K111 PolarHBondContact OD1-NZ 3Å; D77-K111 IonicContact OD2-NZ 3.33Å; D77-K111 PolarHBondContact OD2-NZ 3.28Å; L78-K111 HydrophobicContact CD1-CD 4.21Å; L78-K111 HydrophobicContact CD2-CB 4.42Å; L78-K111 HydrophobicContact CD2-CD 3.88Å; L78-K111 HydrophobicContact CG-CD 4.14Å; S107-K111 PolarHBondContact O-N 3.48Å; A108-K111 PolarHBondContact O-N 3.28Å; K111-K113 PolarHBondContact O-N 2.81Å
112	L	95.6	Very high	96.5	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.026	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	8.7	177	-60.1	179.3	0	0	0	113.2	S54 Y56 L57 F75 L86 A108 K110 M114	S54-L112 WeakPolarHBondContact CB-O 3.38Å; S54-L112 PolarHBondContact OG-O 2.96Å; Y56-L112 HydrophobicContact CD1-CD2 3.84Å; Y56-L112 HydrophobicContact CE1-CD2 4.25Å; L57-L112 HydrophobicContact CD1-CD2 4.42Å; L57-L112 HydrophobicContact CD2-CD2 4.27Å; L57-L112 HydrophobicContact CG-CD2 4.2Å; F75-L112 HydrophobicContact CE1-CD2 3.96Å; F75-L112 HydrophobicContact CE2-CD2 4.28Å; F75-L112 HydrophobicContact CZ-CD2 3.59Å; L86-L112 HydrophobicContact CD1-CD1 3.85Å; A108-L112 WeakPolarHBondContact O-CB 3.44Å; A108-L112 VanDerWaalsContact O-CG 3.3Å; A108-L112 WeakPolarHBondContact O-CG 3.5Å; A108-L112 PolarHBondContact O-N 3.06Å; K110-L112 VanDerWaalsContact C-N 3.33Å; K110-L112 PolarHBondContact O-N 2.98Å; L112-M114 HydrophobicContact CB-CG 4.03Å; L112-M114 HydrophobicContact CB-SD 4.33Å; L112-M114 PolarHBondContact O-N 2.85Å; L112-M114 VanDerWaalsContact O-N 3.17Å
113	K	96.4	Very high	96.4	Very high	91 Å²	91	45.7 Å²	45.7	40%	0.396	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	30.6	-179.5	-62.2	177.6	-179.5	171.8	0	113.8	P55 E59 A109 K110 K111 E115	P55-K113 HydrophobicContact CB-CB 4.25Å; P55-K113 HydrophobicContact CB-CD 4.23Å; P55-K113 WeakPolarHBondContact CD-O 3.48Å; P55-K113 HydrophobicContact CG-CB 4.27Å; E59-K113 IonicContact OE1-NZ 3.69Å; E59-K113 PolarHBondContact OE1-NZ 2.86Å; E59-K113 VanDerWaalsContact OE1-NZ 3.1Å; E59-K113 IonicContact OE2-NZ 2.65Å; E59-K113 PolarHBondContact OE2-NZ 2.8Å; A109-K113 PolarHBondContact O-N 2.69Å; A109-K113 VanDerWaalsContact O-N 3.14Å; K110-K113 PolarHBondContact O-N 2.94Å; K111-K113 PolarHBondContact O-N 2.81Å; K113-E115 PolarHBondContact O-N 2.73Å; K113-E115 VanDerWaalsContact O-N 3.14Å
114	M	97.1	Very high	96.4	Very high	14 Å²	14	46.4 Å²	46.4	7%	0.069	22%	0.218	C	C	.	.			trans	-85.5	73.3	177.4	-60.7	-174.5	70.1	0	0	111.2	C53 L86 Y89 A109 L112 R116 V117 K118	C53-M114 HydrophobicContact CB-CE 4.13Å; L86-M114 HydrophobicContact CB-SD 4.04Å; L86-M114 HydrophobicContact CD1-SD 4.08Å; L86-M114 HydrophobicContact CD2-SD 4.16Å; L86-M114 HydrophobicContact CG-SD 4.32Å; Y89-M114 HydrophobicContact CD1-CE 3.6Å; Y89-M114 HydrophobicContact CE1-CE 3.82Å; A109-M114 HydrophobicContact CB-CB 4.19Å; A109-M114 PolarHBondContact O-N 2.9Å; L112-M114 HydrophobicContact CB-CG 4.03Å; L112-M114 HydrophobicContact CB-SD 4.33Å; L112-M114 PolarHBondContact O-N 2.85Å; L112-M114 VanDerWaalsContact O-N 3.17Å; M114-R116 PolarHBondContact O-N 2.89Å; M114-V117 HydrophobicContact CB-CB 4.37Å; M114-V117 HydrophobicContact CE-CG2 4.21Å; M114-V117 PolarHBondContact O-N 3.06Å; M114-V117 VanDerWaalsContact O-N 3.15Å; M114-K118 PolarHBondContact O-N 2.99Å
115	E	94.5	Very high	96.4	Very high	107 Å²	107	43.7 Å²	43.7	50%	0.5	20%	0.203	S	C	.	.	H	α-helix	trans	-58.3	-41.2	-166.4	-169.3	59.7	-156	0	0	114.6	K113 V117 K118 Q119	K113-E115 PolarHBondContact O-N 2.73Å; K113-E115 VanDerWaalsContact O-N 3.14Å; E115-V117 PolarHBondContact O-N 3.46Å; E115-K118 PolarHBondContact O-N 2.85Å; E115-K118 WeakPolarHBondContact OE1-CE 3.23Å; E115-K118 IonicContact OE1-NZ 3.94Å; E115-K118 PolarHBondContact OE1-NZ 2.86Å; E115-K118 WeakPolarHBondContact OE2-CE 3.45Å; E115-K118 IonicContact OE2-NZ 3.25Å; E115-K118 PolarHBondContact OE2-NZ 2.83Å; E115-Q119 WeakPolarHBondContact O-CB 3.35Å; E115-Q119 PolarHBondContact O-N 3.08Å
116	R	95.5	Very high	96.3	Very high	184 Å²	184	45.3 Å²	45.3	69%	0.694	21%	0.212	S	C	*	.	H	α-helix	trans	-62.7	-43.2	178.5	-71.8	-166.5	-74	151.9	-4.4	112.2	M114 Q119 V120	M114-R116 PolarHBondContact O-N 2.89Å; R116-Q119 PolarHBondContact O-N 3Å; R116-V120 WeakPolarHBondContact O-CG2 3.41Å; R116-V120 PolarHBondContact O-N 2.84Å
117	V	97.1	Very high	96.1	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.024	24%	0.238	C	C	.	.	H	α-helix	trans	-68	-44	178.9	177.4	0	0	0	0	110.4	L86 Y89 L95 V105 A109 M114 E115 Q119 V120 C121	L86-V117 HydrophobicContact CD2-CB 4.33Å; L86-V117 HydrophobicContact CD2-CG1 3.56Å; Y89-V117 HydrophobicContact CD1-CG2 3.58Å; Y89-V117 HydrophobicContact CD2-CG2 4.23Å; Y89-V117 HydrophobicContact CE1-CG2 3.33Å; Y89-V117 HydrophobicContact CE2-CG2 4.02Å; Y89-V117 HydrophobicContact CG-CG2 4.03Å; L95-V117 HydrophobicContact CD1-CG1 3.62Å; L95-V117 HydrophobicContact CD1-CG2 4.48Å; L95-V117 HydrophobicContact CD2-CG1 3.81Å; L95-V117 HydrophobicContact CG-CG1 4.38Å; V105-V117 HydrophobicContact CG1-CG1 4.2Å; A109-V117 HydrophobicContact CB-CB 4.06Å; A109-V117 HydrophobicContact CB-CG1 3.87Å; M114-V117 HydrophobicContact CB-CB 4.37Å; M114-V117 HydrophobicContact CE-CG2 4.21Å; M114-V117 PolarHBondContact O-N 3.06Å; M114-V117 VanDerWaalsContact O-N 3.15Å; E115-V117 PolarHBondContact O-N 3.46Å; V117-Q119 VanDerWaalsContact C-N 3.3Å; V117-Q119 PolarHBondContact O-N 3.45Å; V117-V120 PolarHBondContact O-N 2.83Å; V117-C121 WeakPolarHBondContact O-CB 3.37Å; V117-C121 PolarHBondContact O-N 2.91Å; V117-C121 PolarHBondContact O-SG 2.8Å
118	K	96.3	Very high	96	Very high	24 Å²	24	53 Å²	53	10%	0.104	25%	0.252	C	S	.	.	H	α-helix	trans	-54.2	-47.2	174	-172	-162.8	78.1	-172.2	0	111.2	Y106 A109 K110 M114 E115 C121 G122	Y106-K118 HydrophobicContact CD2-CG 3.93Å; Y106-K118 VanDerWaalsContact CD2-O 3.29Å; Y106-K118 WeakPolarHBondContact CD2-O 3.47Å; Y106-K118 HydrophobicContact CE1-CG 4.26Å; Y106-K118 HydrophobicContact CE2-CD 4.38Å; Y106-K118 HydrophobicContact CE2-CG 3.48Å; Y106-K118 VanDerWaalsContact CE2-CG 3.48Å; Y106-K118 WeakPolarHBondContact CE2-O 3.19Å; Y106-K118 HydrophobicContact CG-CG 4.48Å; A109-K118 HydrophobicContact CB-CB 4.2Å; K110-K118 HydrophobicContact CB-CD 4.01Å; K110-K118 HydrophobicContact CB-CG 4.32Å; K110-K118 HydrophobicContact CG-CD 4.14Å; M114-K118 PolarHBondContact O-N 2.99Å; E115-K118 PolarHBondContact O-N 2.85Å; E115-K118 WeakPolarHBondContact OE1-CE 3.23Å; E115-K118 IonicContact OE1-NZ 3.94Å; E115-K118 PolarHBondContact OE1-NZ 2.86Å; E115-K118 WeakPolarHBondContact OE2-CE 3.45Å; E115-K118 IonicContact OE2-NZ 3.25Å; E115-K118 PolarHBondContact OE2-NZ 2.83Å; K118-C121 PolarHBondContact O-N 2.85Å; K118-G122 PolarHBondContact O-N 2.82Å
119	Q	95.4	Very high	95.9	Very high	80 Å²	80	54 Å²	54	37%	0.374	26%	0.257	S	S	.	.	H	α-helix	trans	-61.9	-47.9	178.8	178.9	171.3	-2.4	0	0	112.4	E115 R116 V117 C121 G122 D123	E115-Q119 WeakPolarHBondContact O-CB 3.35Å; E115-Q119 PolarHBondContact O-N 3.08Å; R116-Q119 PolarHBondContact O-N 3Å; V117-Q119 VanDerWaalsContact C-N 3.3Å; V117-Q119 PolarHBondContact O-N 3.45Å; Q119-C121 PolarHBondContact O-N 2.95Å; Q119-G122 PolarHBondContact O-N 3.08Å; Q119-D123 PolarHBondContact O-N 3.06Å
120	V	97	Very high	95.7	Very high	86 Å²	86	57.4 Å²	57.4	52%	0.521	28%	0.275	S	S	.	.	H	α-helix	trans	-62.5	-43.1	179.1	171.7	0	0	0	0	111.4	L95 R116 V117 D123 Y124	L95-V120 HydrophobicContact CD2-CG1 4.14Å; R116-V120 WeakPolarHBondContact O-CG2 3.41Å; R116-V120 PolarHBondContact O-N 2.84Å; V117-V120 PolarHBondContact O-N 2.83Å; V120-D123 PolarHBondContact O-N 3.24Å; V120-Y124 WeakPolarHBondContact O-CB 3.49Å; V120-Y124 PolarHBondContact O-N 2.81Å
121	C	97.5	Very high	95.7	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.027	27%	0.27	C	S	.	.	H	α-helix	trans	-62.9	-42.9	175.5	-63.4	0	0	0	0	111.2	V102 Y106 V117 K118 Q119 Y124 L125	V102-C121 HydrophobicContact CG1-CB 3.96Å; Y106-C121 HydrophobicContact CD2-CB 3.91Å; Y106-C121 HydrophobicContact CG-CB 4.36Å; V117-C121 WeakPolarHBondContact O-CB 3.37Å; V117-C121 PolarHBondContact O-N 2.91Å; V117-C121 PolarHBondContact O-SG 2.8Å; K118-C121 PolarHBondContact O-N 2.85Å; Q119-C121 PolarHBondContact O-N 2.95Å; C121-Y124 WeakPolarHBondContact O-CB 3.34Å; C121-Y124 PolarHBondContact O-N 2.91Å; C121-L125 VanDerWaalsContact O-CG 3.31Å; C121-L125 WeakPolarHBondContact O-CG 3.44Å; C121-L125 PolarHBondContact O-N 2.91Å
122	G	96.4	Very high	95.6	Very high	6 Å²	6	58.5 Å²	58.5	6%	0.062	28%	0.284	C	S	.	.	H	α-helix	trans	-62.8	-44.3	177.4	0	0	0	0	0	113	K118 Q119 Y124 L125 L126	K118-G122 PolarHBondContact O-N 2.82Å; Q119-G122 PolarHBondContact O-N 3.08Å; G122-Y124 VanDerWaalsContact C-N 3.32Å; G122-Y124 PolarHBondContact O-N 3.08Å; G122-L125 PolarHBondContact O-N 2.85Å; G122-L126 WeakPolarHBondContact O-CG 3.34Å; G122-L126 PolarHBondContact O-N 3.05Å
123	D	96.3	Very high	95.4	Very high	59 Å²	59	59.3 Å²	59.3	32%	0.316	29%	0.291	S	S	.	.	H	α-helix	trans	-66.9	-34	176.4	-68.9	-32.9	0	0	0	111.5	Q119 V120 S127 R148 K152	Q119-D123 PolarHBondContact O-N 3.06Å; V120-D123 PolarHBondContact O-N 3.24Å; D123-S127 PolarHBondContact O-N 3.05Å; D123-S127 VanDerWaalsContact O-N 3.07Å; D123-R148 VanDerWaalsContact CG-NH2 3.27Å; D123-R148 IonicContact OD1-CZ 3.96Å; D123-R148 IonicContact OD1-NH2 3Å; D123-R148 PolarHBondContact OD1-NH2 2.87Å; D123-R148 IonicContact OD2-NH2 3.51Å; D123-R148 PolarHBondContact OD2-NH2 2.72Å; D123-K152 IonicContact OD1-NZ 3.73Å; D123-K152 PolarHBondContact OD1-NZ 2.8Å
124	Y	96.3	Very high	95.3	Very high	76 Å²	76	55 Å²	55	30%	0.298	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-48.8	170.6	178.9	-87.9	0	0	0	112.1	K99 V102 V120 C121 G122 L126 S127 K128	K99-Y124 WeakPolarHBondContact CG-OH 3.47Å; V102-Y124 HydrophobicContact CB-CD1 4.36Å; V102-Y124 HydrophobicContact CG1-CD1 3.87Å; V102-Y124 HydrophobicContact CG1-CE1 4.49Å; V102-Y124 HydrophobicContact CG2-CD1 4.06Å; V102-Y124 HydrophobicContact CG2-CE1 3.93Å; V120-Y124 WeakPolarHBondContact O-CB 3.49Å; V120-Y124 PolarHBondContact O-N 2.81Å; C121-Y124 WeakPolarHBondContact O-CB 3.34Å; C121-Y124 PolarHBondContact O-N 2.91Å; G122-Y124 VanDerWaalsContact C-N 3.32Å; G122-Y124 PolarHBondContact O-N 3.08Å; Y124-L126 VanDerWaalsContact C-N 3.29Å; Y124-L126 PolarHBondContact O-N 3.02Å; Y124-S127 WeakPolarHBondContact O-CB 3.31Å; Y124-S127 PolarHBondContact O-N 2.82Å; Y124-S127 PolarHBondContact O-OG 2.73Å; Y124-K128 HydrophobicContact CD1-CG 4.23Å; Y124-K128 HydrophobicContact CE1-CG 3.73Å; Y124-K128 HydrophobicContact CE2-CG 4.37Å; Y124-K128 PolarHBondContact O-N 2.82Å
125	L	95.7	Very high	95.2	Very high	7 Å²	7	54.5 Å²	54.5	4%	0.037	27%	0.269	C	S	.	.	H	α-helix	trans	-57.1	-44.7	178.1	-69.7	172.3	0	0	0	110.6	V102 K103 C121 G122 S127 K128 M129 Y137 F140	V102-L125 HydrophobicContact CB-CD2 4.42Å; V102-L125 HydrophobicContact CG1-CD2 4.05Å; V102-L125 HydrophobicContact CG1-CG 4.11Å; K103-L125 HydrophobicContact CG-CD1 4.49Å; K103-L125 HydrophobicContact CG-CD2 4.06Å; C121-L125 VanDerWaalsContact O-CG 3.31Å; C121-L125 WeakPolarHBondContact O-CG 3.44Å; C121-L125 PolarHBondContact O-N 2.91Å; G122-L125 PolarHBondContact O-N 2.85Å; L125-S127 VanDerWaalsContact C-N 3.31Å; L125-S127 PolarHBondContact O-N 2.85Å; L125-K128 CarbonylContact O-C 3.55Å; L125-K128 PolarHBondContact O-N 3.19Å; L125-K128 VanDerWaalsContact O-N 3.1Å; L125-M129 PolarHBondContact O-N 2.74Å; L125-M129 VanDerWaalsContact O-N 3.13Å; L125-Y137 HydrophobicContact CB-CE2 4.38Å; L125-Y137 WeakPolarHBondContact O-CE2 3.39Å; L125-F140 HydrophobicContact CD1-CD1 4.33Å; L125-F140 HydrophobicContact CD1-CE1 3.79Å
126	L	95.3	Very high	95.1	Very high	33 Å²	33	51.5 Å²	51.5	17%	0.173	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-39.1	174.9	-71.8	165.2	0	0	0	112.9	G122 Y124 K128 M129 L149 K152 I153	G122-L126 WeakPolarHBondContact O-CG 3.34Å; G122-L126 PolarHBondContact O-N 3.05Å; Y124-L126 VanDerWaalsContact C-N 3.29Å; Y124-L126 PolarHBondContact O-N 3.02Å; L126-K128 PolarHBondContact O-N 3.45Å; L126-M129 HydrophobicContact CD2-CE 4.34Å; L126-M129 PolarHBondContact O-N 2.75Å; L126-L149 HydrophobicContact CD1-CD1 3.7Å; L126-L149 HydrophobicContact CD2-CD1 3.76Å; L126-L149 HydrophobicContact CG-CD1 3.5Å; L126-K152 HydrophobicContact CD1-CB 4.18Å; L126-K152 HydrophobicContact CD1-CD 3.38Å; L126-K152 HydrophobicContact CD1-CG 4.44Å; L126-K152 HydrophobicContact CD2-CB 3.8Å; L126-K152 HydrophobicContact CD2-CD 4.49Å; L126-I153 HydrophobicContact CD2-CG1 3.82Å
127	S	95.4	Very high	95	Very high	81 Å²	81	44.6 Å²	44.6	57%	0.566	23%	0.234	S	C	*	.	H	α-helix	trans	-69.3	-17	177.9	80.4	0	0	0	0	114.4	D123 Y124 L125	D123-S127 PolarHBondContact O-N 3.05Å; D123-S127 VanDerWaalsContact O-N 3.07Å; Y124-S127 WeakPolarHBondContact O-CB 3.31Å; Y124-S127 PolarHBondContact O-N 2.82Å; Y124-S127 PolarHBondContact O-OG 2.73Å; L125-S127 VanDerWaalsContact C-N 3.31Å; L125-S127 PolarHBondContact O-N 2.85Å
128	K	93.6	Very high	94.8	Very high	110 Å²	110	44.6 Å²	44.6	48%	0.478	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	2.7	179.2	-62.2	-55.1	178.9	-166.4	0	113.2	Y124 L125 L126	Y124-K128 HydrophobicContact CD1-CG 4.23Å; Y124-K128 HydrophobicContact CE1-CG 3.73Å; Y124-K128 HydrophobicContact CE2-CG 4.37Å; Y124-K128 PolarHBondContact O-N 2.82Å; L125-K128 CarbonylContact O-C 3.55Å; L125-K128 PolarHBondContact O-N 3.19Å; L125-K128 VanDerWaalsContact O-N 3.1Å; L126-K128 PolarHBondContact O-N 3.45Å
129	M	94.5	Very high	94.6	Very high	24 Å²	24	46.4 Å²	46.4	12%	0.118	25%	0.245	C	C	.	.			trans	-75.8	136.8	178.8	-172.1	175.8	59.1	0	0	110.5	L125 L126 S133 C134 Y137 I153 Y156	L125-M129 PolarHBondContact O-N 2.74Å; L125-M129 VanDerWaalsContact O-N 3.13Å; L126-M129 HydrophobicContact CD2-CE 4.34Å; L126-M129 PolarHBondContact O-N 2.75Å; M129-S133 WeakPolarHBondContact CA-OG 3.25Å; M129-C134 HydrophobicContact CG-CB 3.84Å; M129-C134 HydrophobicContact SD-CB 3.76Å; M129-Y137 HydrophobicContact CB-CD2 3.79Å; M129-Y137 HydrophobicContact CB-CE2 3.97Å; M129-Y137 HydrophobicContact CG-CD2 3.88Å; M129-Y137 HydrophobicContact CG-CE2 4.43Å; M129-Y137 HydrophobicContact SD-CD2 4.38Å; M129-I153 HydrophobicContact CE-CG1 4.43Å; M129-I153 HydrophobicContact SD-CB 4.22Å; M129-I153 HydrophobicContact SD-CG1 3.83Å; M129-I153 HydrophobicContact SD-CG2 3.85Å; M129-Y156 VanDerWaalsContact CE-CB 3.46Å; M129-Y156 HydrophobicContact CE-CD1 3.69Å; M129-Y156 HydrophobicContact CE-CD2 3.9Å; M129-Y156 HydrophobicContact CE-CE1 4.41Å; M129-Y156 HydrophobicContact CE-CG 3.4Å; M129-Y156 HydrophobicContact SD-CD1 4.32Å
130	D	94.1	Very high	94.5	Very high	71 Å²	71	44 Å²	44	38%	0.38	23%	0.233	S	C	.	.			trans	-134.2	-175.8	170.8	61	37.6	0	0	0	110.7	Q132 S133 C134	D130-Q132 PolarHBondContact O-N 2.81Å; D130-Q132 WeakPolarHBondContact OD1-CA 3.12Å; D130-Q132 WeakPolarHBondContact OD1-CB 3.43Å; D130-Q132 PolarHBondContact OD1-N 2.63Å; D130-S133 PolarHBondContact N-OG 2.93Å; D130-S133 VanDerWaalsContact N-OG 3.14Å; D130-S133 PolarHBondContact O-N 2.79Å; D130-S133 PolarHBondContact OD1-N 3.45Å; D130-C134 WeakPolarHBondContact O-CB 3.39Å; D130-C134 PolarHBondContact O-N 3.31Å
131	V	94.1	Very high	94.3	Very high	35 Å²	35	40 Å²	40	21%	0.212	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-24.2	179.9	-72.8	0	0	0	0	113.9	Y156 H160 R163 I164	V131-Y156 HydrophobicContact CG1-CE1 4.49Å; V131-H160 HydrophobicContact CG1-CB 4.25Å; V131-R163 HydrophobicContact CG1-CB 4.21Å; V131-I164 HydrophobicContact CB-CG1 4.1Å; V131-I164 HydrophobicContact CG1-CG1 3.99Å
132	Q	92.8	Very high	94	Very high	127 Å²	127	42.1 Å²	42.1	59%	0.593	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-35.2	178	-70.1	178.9	-10.8	0	0	111.4	D130 Q167	D130-Q132 PolarHBondContact O-N 2.81Å; D130-Q132 WeakPolarHBondContact OD1-CA 3.12Å; D130-Q132 WeakPolarHBondContact OD1-CB 3.43Å; D130-Q132 PolarHBondContact OD1-N 2.63Å; Q132-Q167 HydrophobicContact CG-CG 4.43Å; Q132-Q167 VanDerWaalsContact CG-OE1 3.26Å
133	S	92.4	Very high	93.6	Very high	23 Å²	23	47.2 Å²	47.2	16%	0.161	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-14.8	-172.5	85.4	0	0	0	0	114.5	M129 D130 I135 S136 Y137	M129-S133 WeakPolarHBondContact CA-OG 3.25Å; D130-S133 PolarHBondContact N-OG 2.93Å; D130-S133 VanDerWaalsContact N-OG 3.14Å; D130-S133 PolarHBondContact O-N 2.79Å; D130-S133 PolarHBondContact OD1-N 3.45Å; S133-I135 PolarHBondContact O-N 3.18Å; S133-S136 PolarHBondContact O-N 3.49Å; S133-Y137 PolarHBondContact O-N 2.98Å
134	C	94.4	Very high	93.2	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.4	-37.4	-170	64.1	0	0	0	0	114	M129 D130 Y137 R138 Y156 I157 I164	M129-C134 HydrophobicContact CG-CB 3.84Å; M129-C134 HydrophobicContact SD-CB 3.76Å; D130-C134 WeakPolarHBondContact O-CB 3.39Å; D130-C134 PolarHBondContact O-N 3.31Å; C134-Y137 PolarHBondContact O-N 2.89Å; C134-R138 WeakPolarHBondContact O-CB 3.44Å; C134-R138 PolarHBondContact O-N 2.93Å; C134-Y156 HydrophobicContact CB-CD1 4.12Å; C134-Y156 HydrophobicContact CB-CE1 4.26Å; C134-I157 HydrophobicContact CB-CG1 4.15Å; C134-I164 VanDerWaalsContact SG-CD1 3.6Å
135	I	93.9	Very high	92.9	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-67.1	-45.2	177.8	-59.9	-59.2	0	0	0	110.8	S133 Y137 R138 N139 I157 I164 E169 F170 L173 L304 L311	S133-I135 PolarHBondContact O-N 3.18Å; I135-Y137 VanDerWaalsContact C-N 3.32Å; I135-Y137 PolarHBondContact O-N 3.15Å; I135-R138 WeakPolarHBondContact O-CB 3.49Å; I135-R138 PolarHBondContact O-N 2.9Å; I135-N139 PolarHBondContact O-N 3.29Å; I135-I157 HydrophobicContact CD1-CD1 4.17Å; I135-I164 HydrophobicContact CD1-CG2 4.26Å; I135-I164 HydrophobicContact CG1-CG2 4.27Å; I135-E169 HydrophobicContact CB-CB 4.37Å; I135-F170 HydrophobicContact CD1-CD2 4.43Å; I135-L173 HydrophobicContact CG2-CD2 4.24Å; I135-L304 HydrophobicContact CD1-CD2 4.1Å; I135-L311 HydrophobicContact CG2-CD2 4.21Å
136	S	93.1	Very high	92.6	Very high	44 Å²	44	45.5 Å²	45.5	31%	0.308	26%	0.264	S	S	.	.	H	α-helix	trans	-58.8	-43.2	174.5	178.9	0	0	0	0	111.8	K103 S133 N139 F140	K103-S136 PolarHBondContact NZ-OG 3.45Å; S133-S136 PolarHBondContact O-N 3.49Å; S136-N139 PolarHBondContact O-N 3.03Å; S136-F140 WeakPolarHBondContact O-CB 3.26Å; S136-F140 PolarHBondContact O-N 2.98Å
137	Y	93.6	Very high	92.3	Very high	39 Å²	39	48.6 Å²	48.6	15%	0.153	29%	0.289	C	S	.	.	H	α-helix	trans	-69.5	-34.3	178.6	-74.8	9	0	0	0	112.2	K103 L125 M129 S133 C134 I135 A141 I153	K103-Y137 VanDerWaalsContact CE-CE1 3.41Å; L125-Y137 HydrophobicContact CB-CE2 4.38Å; L125-Y137 WeakPolarHBondContact O-CE2 3.39Å; M129-Y137 HydrophobicContact CB-CD2 3.79Å; M129-Y137 HydrophobicContact CB-CE2 3.97Å; M129-Y137 HydrophobicContact CG-CD2 3.88Å; M129-Y137 HydrophobicContact CG-CE2 4.43Å; M129-Y137 HydrophobicContact SD-CD2 4.38Å; S133-Y137 PolarHBondContact O-N 2.98Å; C134-Y137 PolarHBondContact O-N 2.89Å; I135-Y137 VanDerWaalsContact C-N 3.32Å; I135-Y137 PolarHBondContact O-N 3.15Å; Y137-A141 WeakPolarHBondContact O-CB 3.34Å; Y137-A141 PolarHBondContact O-N 3.03Å; Y137-I153 WeakPolarHBondContact O-CD1 3.39Å
138	R	93.7	Very high	92.2	Very high	5 Å²	5	49.5 Å²	49.5	2%	0.019	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-48.2	173.6	-166.1	-169.5	-178.7	-75	-12.3	111.3	C134 I135 F140 A141 S142 L150 I153 D154 I157 I291	C134-R138 WeakPolarHBondContact O-CB 3.44Å; C134-R138 PolarHBondContact O-N 2.93Å; I135-R138 WeakPolarHBondContact O-CB 3.49Å; I135-R138 PolarHBondContact O-N 2.9Å; R138-F140 VanDerWaalsContact C-N 3.31Å; R138-F140 PolarHBondContact O-N 2.81Å; R138-A141 PolarHBondContact O-N 2.87Å; R138-S142 WeakPolarHBondContact O-CB 3.48Å; R138-S142 PolarHBondContact O-N 2.86Å; R138-L150 HydrophobicContact CG-CD2 3.97Å; R138-I153 HydrophobicContact CB-CG2 3.74Å; R138-I153 HydrophobicContact CG-CG2 4.15Å; R138-D154 WeakPolarHBondContact CD-OD1 3.26Å; R138-D154 IonicContact CZ-OD1 3.92Å; R138-D154 IonicContact NE-OD1 3.86Å; R138-D154 PolarHBondContact NE-OD1 3.42Å; R138-D154 IonicContact NH2-OD1 3.48Å; R138-D154 PolarHBondContact NH2-OD1 2.98Å; R138-D154 IonicContact NH2-OD2 3.89Å; R138-I157 HydrophobicContact CB-CD1 4.31Å; R138-I157 HydrophobicContact CG-CD1 4.39Å; R138-I291 VanDerWaalsContact NE-CD1 3.34Å
139	N	91.9	Very high	92.2	Very high	62 Å²	62	44.6 Å²	44.6	33%	0.332	26%	0.259	S	S	.	.	H	α-helix	trans	-59.2	-45.5	177.5	-71.4	-12.9	0	0	0	110.5	I135 S136 A141 S142 C143 L311	I135-N139 PolarHBondContact O-N 3.29Å; S136-N139 PolarHBondContact O-N 3.03Å; N139-A141 PolarHBondContact O-N 2.97Å; N139-S142 WeakPolarHBondContact O-CB 3.4Å; N139-S142 PolarHBondContact O-N 2.82Å; N139-C143 PolarHBondContact O-N 2.95Å; N139-C143 PolarHBondContact O-SG 2.92Å; N139-L311 VanDerWaalsContact OD1-CD2 3.31Å; N139-L311 WeakPolarHBondContact OD1-CD2 3.47Å
140	F	93.1	Very high	92.1	Very high	30 Å²	30	44.4 Å²	44.4	13%	0.132	26%	0.258	C	S	.	.	H	α-helix	trans	-56.3	-51.9	172.3	174.3	-103.1	0	0	0	112.2	K103 Y106 L125 S136 R138 S142 C143 M144	K103-F140 HydrophobicContact CB-CD2 4.47Å; K103-F140 HydrophobicContact CB-CE2 3.92Å; K103-F140 HydrophobicContact CB-CZ 4.03Å; K103-F140 HydrophobicContact CD-CD2 4.37Å; K103-F140 HydrophobicContact CG-CD2 4.48Å; K103-F140 HydrophobicContact CG-CE2 4.31Å; K103-F140 HydrophobicContact CG-CZ 4.3Å; K103-F140 WeakPolarHBondContact O-CZ 3.39Å; Y106-F140 AromaticContact CD1-CE1 3.68Å; Y106-F140 HydrophobicContact CD1-CE1 3.68Å; Y106-F140 AromaticContact CD1-CZ 3.47Å; Y106-F140 HydrophobicContact CD1-CZ 3.47Å; Y106-F140 VanDerWaalsContact CD1-CZ 3.47Å; Y106-F140 HydrophobicContact CE1-CE1 4.07Å; Y106-F140 HydrophobicContact CE1-CZ 4.16Å; Y106-F140 HydrophobicContact CG-CE1 4.11Å; Y106-F140 HydrophobicContact CG-CZ 4.04Å; L125-F140 HydrophobicContact CD1-CD1 4.33Å; L125-F140 HydrophobicContact CD1-CE1 3.79Å; S136-F140 WeakPolarHBondContact O-CB 3.26Å; S136-F140 PolarHBondContact O-N 2.98Å; R138-F140 VanDerWaalsContact C-N 3.31Å; R138-F140 PolarHBondContact O-N 2.81Å; F140-S142 PolarHBondContact O-N 2.91Å; F140-C143 PolarHBondContact O-N 3.24Å; F140-M144 HydrophobicContact CD1-CG 4.39Å; F140-M144 HydrophobicContact CD2-CG 4.18Å; F140-M144 HydrophobicContact CE1-CG 4.07Å; F140-M144 HydrophobicContact CE2-CG 3.84Å; F140-M144 HydrophobicContact CE2-SD 4.21Å; F140-M144 HydrophobicContact CG-CG 4.46Å; F140-M144 HydrophobicContact CZ-CG 3.8Å; F140-M144 HydrophobicContact CZ-SD 4.41Å; F140-M144 WeakPolarHBondContact O-CB 3.49Å; F140-M144 WeakPolarHBondContact O-CG 3.49Å; F140-M144 PolarHBondContact O-N 3.33Å
141	A	92.4	Very high	92.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-30.6	-179.8	0	0	0	0	0	113.1	Y137 R138 N139 G145 D146 L149 L150 I153	Y137-A141 WeakPolarHBondContact O-CB 3.34Å; Y137-A141 PolarHBondContact O-N 3.03Å; R138-A141 PolarHBondContact O-N 2.87Å; N139-A141 PolarHBondContact O-N 2.97Å; A141-G145 PolarHBondContact O-N 3.36Å; A141-D146 PolarHBondContact O-N 2.88Å; A141-D146 VanDerWaalsContact O-N 3.13Å; A141-L149 HydrophobicContact CB-CB 4.17Å; A141-L149 HydrophobicContact CB-CD2 3.76Å; A141-L149 HydrophobicContact CB-CG 3.8Å; A141-L150 HydrophobicContact CB-CD2 3.76Å; A141-L150 HydrophobicContact CB-CG 3.77Å; A141-I153 HydrophobicContact CB-CD1 3.87Å
142	S	91	Very high	92.2	Very high	49 Å²	49	47.9 Å²	47.9	34%	0.343	28%	0.277	S	S	.	.	H	α-helix	trans	-70.2	-50.8	174.2	-178.3	0	0	0	0	111.9	R138 N139 F140 M144 G145	R138-S142 WeakPolarHBondContact O-CB 3.48Å; R138-S142 PolarHBondContact O-N 2.86Å; N139-S142 WeakPolarHBondContact O-CB 3.4Å; N139-S142 PolarHBondContact O-N 2.82Å; F140-S142 PolarHBondContact O-N 2.91Å; S142-M144 PolarHBondContact O-N 3Å; S142-G145 WeakPolarHBondContact O-CA 3.27Å; S142-G145 PolarHBondContact O-N 3.49Å
143	C	88.1	Confident	92.4	Very high	113 Å²	113	42 Å²	42	76%	0.764	25%	0.249	S	C	*	.	H	α-helix	trans	-56.6	-39.4	173.1	-66	0	0	0	0	111.4	N139 F140 G145	N139-C143 PolarHBondContact O-N 2.95Å; N139-C143 PolarHBondContact O-SG 2.92Å; F140-C143 PolarHBondContact O-N 3.24Å; C143-G145 VanDerWaalsContact C-N 3.3Å; C143-G145 PolarHBondContact O-N 3.16Å
144	M	88.8	Confident	92.5	Very high	35 Å²	35	41.3 Å²	41.3	17%	0.172	24%	0.244	C	C	.	.	H	α-helix	trans	-71.2	-25.6	175.6	-66.6	-52.1	-65.7	0	0	111.7	Y106 S107 K110 F140 S142	Y106-M144 HydrophobicContact CD1-CE 3.91Å; Y106-M144 HydrophobicContact CD1-CG 4.23Å; Y106-M144 HydrophobicContact CE1-CB 4.05Å; Y106-M144 HydrophobicContact CE1-CE 3.72Å; Y106-M144 HydrophobicContact CE1-CG 3.82Å; S107-M144 PolarHBondContact OG-SD 2.95Å; K110-M144 HydrophobicContact CB-CE 3.78Å; K110-M144 HydrophobicContact CD-CE 3.5Å; K110-M144 VanDerWaalsContact CD-CE 3.5Å; K110-M144 HydrophobicContact CG-CE 4.16Å; K110-M144 PolarHBondContact NZ-O 3.25Å; F140-M144 HydrophobicContact CD1-CG 4.39Å; F140-M144 HydrophobicContact CD2-CG 4.18Å; F140-M144 HydrophobicContact CE1-CG 4.07Å; F140-M144 HydrophobicContact CE2-CG 3.84Å; F140-M144 HydrophobicContact CE2-SD 4.21Å; F140-M144 HydrophobicContact CG-CG 4.46Å; F140-M144 HydrophobicContact CZ-CG 3.8Å; F140-M144 HydrophobicContact CZ-SD 4.41Å; F140-M144 WeakPolarHBondContact O-CB 3.49Å; F140-M144 WeakPolarHBondContact O-CG 3.49Å; F140-M144 PolarHBondContact O-N 3.33Å; S142-M144 PolarHBondContact O-N 3Å
145	G	88.8	Confident	92.6	Very high	51 Å²	51	42.6 Å²	42.6	53%	0.526	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	39.7	-174.6	0	0	0	0	0	112.8	K110 A141 S142 C143	K110-G145 PolarHBondContact NZ-O 3.25Å; A141-G145 PolarHBondContact O-N 3.36Å; S142-G145 WeakPolarHBondContact O-CA 3.27Å; S142-G145 PolarHBondContact O-N 3.49Å; C143-G145 VanDerWaalsContact C-N 3.3Å; C143-G145 PolarHBondContact O-N 3.16Å
146	D	89.4	Confident	92.7	Very high	20 Å²	20	45.2 Å²	45.2	11%	0.107	27%	0.267	C	S	.	.			trans	-100.9	101.7	173	-172.9	-30.3	0	0	0	110.3	Y106 A141 R148 L149 L150	Y106-D146 WeakPolarHBondContact OH-CB 3.38Å; Y106-D146 VanDerWaalsContact OH-CG 3.24Å; Y106-D146 PolarHBondContact OH-OD2 2.89Å; A141-D146 PolarHBondContact O-N 2.88Å; A141-D146 VanDerWaalsContact O-N 3.13Å; D146-R148 VanDerWaalsContact C-N 3.32Å; D146-R148 PolarHBondContact O-N 2.79Å; D146-R148 WeakPolarHBondContact OD1-CB 3.31Å; D146-R148 PolarHBondContact OD1-N 2.96Å; D146-L149 HydrophobicContact CB-CB 4.08Å; D146-L149 PolarHBondContact O-N 3.22Å; D146-L149 PolarHBondContact OD1-N 2.93Å; D146-L150 WeakPolarHBondContact O-CB 3.44Å; D146-L150 WeakPolarHBondContact O-CG 3.22Å; D146-L150 PolarHBondContact O-N 3.18Å
147	S	90.1	Very high	92.8	Very high	99 Å²	99	43.1 Å²	43.1	69%	0.692	25%	0.253	S	S	*	.	H	α-helix	trans	-66.2	-29.6	-178.3	55.7	0	0	0	0	113.7	S151	S147-S151 VanDerWaalsContact O-CB 3.3Å; S147-S151 WeakPolarHBondContact O-CB 3.3Å; S147-S151 PolarHBondContact O-N 3.17Å
148	R	92.6	Very high	92.9	Very high	100 Å²	100	47.4 Å²	47.4	38%	0.377	27%	0.274	S	S	.	.	H	α-helix	trans	-69	-47.6	177.2	171.1	-172.2	156	172.5	-4.1	109.8	D123 D146 K152	D123-R148 VanDerWaalsContact CG-NH2 3.27Å; D123-R148 IonicContact OD1-CZ 3.96Å; D123-R148 IonicContact OD1-NH2 3Å; D123-R148 PolarHBondContact OD1-NH2 2.87Å; D123-R148 IonicContact OD2-NH2 3.51Å; D123-R148 PolarHBondContact OD2-NH2 2.72Å; D146-R148 VanDerWaalsContact C-N 3.32Å; D146-R148 PolarHBondContact O-N 2.79Å; D146-R148 WeakPolarHBondContact OD1-CB 3.31Å; D146-R148 PolarHBondContact OD1-N 2.96Å; R148-K152 PolarHBondContact O-N 2.84Å
149	L	93.3	Very high	92.9	Very high	7 Å²	7	54.4 Å²	54.4	4%	0.037	31%	0.307	C	S	.	.	H	α-helix	trans	-65	-47.3	179.6	-174.1	59.4	0	0	0	110.3	Y106 L126 A141 D146 S151 K152 I153	Y106-L149 HydrophobicContact CE2-CD2 4.32Å; L126-L149 HydrophobicContact CD1-CD1 3.7Å; L126-L149 HydrophobicContact CD2-CD1 3.76Å; L126-L149 HydrophobicContact CG-CD1 3.5Å; A141-L149 HydrophobicContact CB-CB 4.17Å; A141-L149 HydrophobicContact CB-CD2 3.76Å; A141-L149 HydrophobicContact CB-CG 3.8Å; D146-L149 HydrophobicContact CB-CB 4.08Å; D146-L149 PolarHBondContact O-N 3.22Å; D146-L149 PolarHBondContact OD1-N 2.93Å; L149-S151 PolarHBondContact O-N 3.37Å; L149-K152 PolarHBondContact O-N 3.11Å; L149-I153 HydrophobicContact CD1-CD1 4.13Å; L149-I153 HydrophobicContact CG-CD1 3.83Å; L149-I153 VanDerWaalsContact O-CG1 3.31Å; L149-I153 WeakPolarHBondContact O-CG1 3.2Å; L149-I153 PolarHBondContact O-N 2.99Å; L149-I153 VanDerWaalsContact O-N 3.08Å
150	L	93.1	Very high	93	Very high	20 Å²	20	54.1 Å²	54.1	11%	0.105	30%	0.304	C	S	.	.	H	α-helix	trans	-55.1	-47.5	175	-80.1	169.2	0	0	0	112.8	R138 A141 D146 K152 I153 D154	R138-L150 HydrophobicContact CG-CD2 3.97Å; A141-L150 HydrophobicContact CB-CD2 3.76Å; A141-L150 HydrophobicContact CB-CG 3.77Å; D146-L150 WeakPolarHBondContact O-CB 3.44Å; D146-L150 WeakPolarHBondContact O-CG 3.22Å; D146-L150 PolarHBondContact O-N 3.18Å; L150-K152 VanDerWaalsContact C-N 3.28Å; L150-K152 PolarHBondContact O-N 2.81Å; L150-I153 PolarHBondContact O-N 3.36Å; L150-D154 WeakPolarHBondContact O-CB 3.46Å; L150-D154 PolarHBondContact O-N 3.44Å
151	S	93.9	Very high	93	Very high	78 Å²	78	52.9 Å²	52.9	55%	0.545	30%	0.298	S	S	.	.	H	α-helix	trans	-61.4	-35.9	-178.1	-176.8	0	0	0	0	112.9	S147 L149 G155	S147-S151 VanDerWaalsContact O-CB 3.3Å; S147-S151 WeakPolarHBondContact O-CB 3.3Å; S147-S151 PolarHBondContact O-N 3.17Å; L149-S151 PolarHBondContact O-N 3.37Å; S151-G155 PolarHBondContact O-N 2.85Å; S151-G155 VanDerWaalsContact O-N 3.16Å
152	K	96	Very high	92.8	Very high	101 Å²	101	57.1 Å²	57.1	44%	0.439	32%	0.32	S	S	.	.	H	α-helix	trans	-73.5	-38.9	177.3	-71.4	-175.6	176.1	-171.9	0	111.8	D123 L126 R148 L149 L150 G155 Y156	D123-K152 IonicContact OD1-NZ 3.73Å; D123-K152 PolarHBondContact OD1-NZ 2.8Å; L126-K152 HydrophobicContact CD1-CB 4.18Å; L126-K152 HydrophobicContact CD1-CD 3.38Å; L126-K152 HydrophobicContact CD1-CG 4.44Å; L126-K152 HydrophobicContact CD2-CB 3.8Å; L126-K152 HydrophobicContact CD2-CD 4.49Å; R148-K152 PolarHBondContact O-N 2.84Å; L149-K152 PolarHBondContact O-N 3.11Å; L150-K152 VanDerWaalsContact C-N 3.28Å; L150-K152 PolarHBondContact O-N 2.81Å; K152-G155 PolarHBondContact O-N 2.77Å; K152-Y156 PolarHBondContact O-N 3.36Å; K152-Y156 VanDerWaalsContact O-N 3.16Å
153	I	96.6	Very high	92.9	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-67.3	-45.8	176.8	-63.2	167.6	0	0	0	110.5	L126 M129 Y137 R138 A141 L149 L150 G155 Y156 I157	L126-I153 HydrophobicContact CD2-CG1 3.82Å; M129-I153 HydrophobicContact CE-CG1 4.43Å; M129-I153 HydrophobicContact SD-CB 4.22Å; M129-I153 HydrophobicContact SD-CG1 3.83Å; M129-I153 HydrophobicContact SD-CG2 3.85Å; Y137-I153 WeakPolarHBondContact O-CD1 3.39Å; R138-I153 HydrophobicContact CB-CG2 3.74Å; R138-I153 HydrophobicContact CG-CG2 4.15Å; A141-I153 HydrophobicContact CB-CD1 3.87Å; L149-I153 HydrophobicContact CD1-CD1 4.13Å; L149-I153 HydrophobicContact CG-CD1 3.83Å; L149-I153 VanDerWaalsContact O-CG1 3.31Å; L149-I153 WeakPolarHBondContact O-CG1 3.2Å; L149-I153 PolarHBondContact O-N 2.99Å; L149-I153 VanDerWaalsContact O-N 3.08Å; L150-I153 PolarHBondContact O-N 3.36Å; I153-G155 VanDerWaalsContact C-N 3.29Å; I153-G155 PolarHBondContact O-N 2.93Å; I153-Y156 WeakPolarHBondContact O-CB 3.38Å; I153-Y156 PolarHBondContact O-N 2.89Å; I153-Y156 VanDerWaalsContact O-N 3.16Å; I153-I157 HydrophobicContact CG2-CD1 3.82Å; I153-I157 HydrophobicContact CG2-CG1 4.38Å; I153-I157 WeakPolarHBondContact O-CG1 3.44Å; I153-I157 PolarHBondContact O-N 2.8Å
154	D	95.3	Very high	93.2	Very high	10 Å²	10	57.3 Å²	57.3	5%	0.053	30%	0.298	C	S	.	.	H	α-helix	trans	-58.6	-41.3	176.6	-76.5	-9.9	0	0	0	111.3	R138 L150 I157 Q158 K289 I291	R138-D154 WeakPolarHBondContact CD-OD1 3.26Å; R138-D154 IonicContact CZ-OD1 3.92Å; R138-D154 IonicContact NE-OD1 3.86Å; R138-D154 PolarHBondContact NE-OD1 3.42Å; R138-D154 IonicContact NH2-OD1 3.48Å; R138-D154 PolarHBondContact NH2-OD1 2.98Å; R138-D154 IonicContact NH2-OD2 3.89Å; L150-D154 WeakPolarHBondContact O-CB 3.46Å; L150-D154 PolarHBondContact O-N 3.44Å; D154-I157 PolarHBondContact O-N 2.81Å; D154-Q158 WeakPolarHBondContact O-CB 3.41Å; D154-Q158 PolarHBondContact O-N 2.65Å; D154-K289 IonicContact OD2-NZ 3.11Å; D154-K289 PolarHBondContact OD2-NZ 3.33Å; D154-I291 HydrophobicContact CB-CG2 4.05Å
155	G	95.8	Very high	93.2	Very high	26 Å²	26	56.9 Å²	56.9	27%	0.268	30%	0.298	S	S	.	.	H	α-helix	trans	-61	-44.2	174.6	0	0	0	0	0	112.9	S151 K152 I153 I157 Q158 E159	S151-G155 PolarHBondContact O-N 2.85Å; S151-G155 VanDerWaalsContact O-N 3.16Å; K152-G155 PolarHBondContact O-N 2.77Å; I153-G155 VanDerWaalsContact C-N 3.29Å; I153-G155 PolarHBondContact O-N 2.93Å; G155-I157 PolarHBondContact O-N 2.8Å; G155-Q158 WeakPolarHBondContact O-CB 3.26Å; G155-Q158 PolarHBondContact O-N 2.98Å; G155-E159 WeakPolarHBondContact O-CG 3.48Å; G155-E159 PolarHBondContact O-N 3.4Å; G155-E159 VanDerWaalsContact O-N 3.13Å
156	Y	96.3	Very high	93.2	Very high	59 Å²	59	61.5 Å²	61.5	23%	0.231	31%	0.306	C	S	.	.	H	α-helix	trans	-62.6	-42.2	174.9	-177.7	-90.2	0	0	0	112.3	M129 V131 C134 K152 I153 Q158 E159 H160	M129-Y156 VanDerWaalsContact CE-CB 3.46Å; M129-Y156 HydrophobicContact CE-CD1 3.69Å; M129-Y156 HydrophobicContact CE-CD2 3.9Å; M129-Y156 HydrophobicContact CE-CE1 4.41Å; M129-Y156 HydrophobicContact CE-CG 3.4Å; M129-Y156 HydrophobicContact SD-CD1 4.32Å; V131-Y156 HydrophobicContact CG1-CE1 4.49Å; C134-Y156 HydrophobicContact CB-CD1 4.12Å; C134-Y156 HydrophobicContact CB-CE1 4.26Å; K152-Y156 PolarHBondContact O-N 3.36Å; K152-Y156 VanDerWaalsContact O-N 3.16Å; I153-Y156 WeakPolarHBondContact O-CB 3.38Å; I153-Y156 PolarHBondContact O-N 2.89Å; I153-Y156 VanDerWaalsContact O-N 3.16Å; Y156-Q158 VanDerWaalsContact C-N 3.31Å; Y156-Q158 PolarHBondContact O-N 3.43Å; Y156-E159 PolarHBondContact O-N 2.9Å; Y156-H160 AromaticContact CD2-CD2 3.63Å; Y156-H160 AromaticContact CD2-NE2 3.98Å; Y156-H160 AromaticContact CE1-CD2 3.77Å; Y156-H160 AromaticContact CE2-CD2 3.37Å; Y156-H160 WeakPolarHBondContact CE2-CD2 3.44Å; Y156-H160 AromaticContact CE2-NE2 3.58Å; Y156-H160 AromaticContact CG-CD2 3.95Å; Y156-H160 AromaticContact CZ-CD2 3.43Å; Y156-H160 VanDerWaalsContact CZ-CD2 3.43Å; Y156-H160 AromaticContact CZ-NE2 3.98Å; Y156-H160 PolarHBondContact O-CD2 2.76Å; Y156-H160 PolarHBondContact O-N 2.92Å
157	I	96	Very high	93.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.7	-41.4	177.3	-68.1	167.1	0	0	0	110.7	C134 I135 R138 I153 D154 G155 E159 H160 L161 I164 I291 A292 L304	C134-I157 HydrophobicContact CB-CG1 4.15Å; I135-I157 HydrophobicContact CD1-CD1 4.17Å; R138-I157 HydrophobicContact CB-CD1 4.31Å; R138-I157 HydrophobicContact CG-CD1 4.39Å; I153-I157 HydrophobicContact CG2-CD1 3.82Å; I153-I157 HydrophobicContact CG2-CG1 4.38Å; I153-I157 WeakPolarHBondContact O-CG1 3.44Å; I153-I157 PolarHBondContact O-N 2.8Å; D154-I157 PolarHBondContact O-N 2.81Å; G155-I157 PolarHBondContact O-N 2.8Å; I157-E159 VanDerWaalsContact C-N 3.32Å; I157-E159 PolarHBondContact O-N 2.75Å; I157-H160 PolarHBondContact O-N 2.84Å; I157-L161 WeakPolarHBondContact O-CA 3.35Å; I157-L161 PolarHBondContact O-N 3.46Å; I157-I164 HydrophobicContact CB-CD1 4.2Å; I157-I164 HydrophobicContact CG1-CD1 4.13Å; I157-I164 HydrophobicContact CG2-CD1 4.18Å; I157-I291 HydrophobicContact CB-CG2 4.28Å; I157-I291 HydrophobicContact CG2-CG2 4.04Å; I157-A292 HydrophobicContact CG2-CB 4.18Å; I157-L304 HydrophobicContact CG2-CD2 3.61Å
158	Q	94.1	Very high	93.1	Very high	128 Å²	128	64.1 Å²	64.1	60%	0.598	31%	0.306	S	S	*	.	H	α-helix	trans	-60.1	-41	177.1	-171.9	180	-3.4	0	0	112.4	D154 G155 Y156 H160 A292	D154-Q158 WeakPolarHBondContact O-CB 3.41Å; D154-Q158 PolarHBondContact O-N 2.65Å; G155-Q158 WeakPolarHBondContact O-CB 3.26Å; G155-Q158 PolarHBondContact O-N 2.98Å; Y156-Q158 VanDerWaalsContact C-N 3.31Å; Y156-Q158 PolarHBondContact O-N 3.43Å; Q158-H160 VanDerWaalsContact C-N 3.33Å; Q158-H160 PolarHBondContact O-N 3.21Å; Q158-A292 HydrophobicContact CB-CB 4.21Å; Q158-A292 HydrophobicContact CG-CB 4.43Å
159	E	94.3	Very high	92.7	Very high	153 Å²	153	62.8 Å²	62.8	72%	0.715	30%	0.304	S	S	*	.	H	α-helix	trans	-73.5	-22.2	179.6	-70	177.8	-177.3	0	0	113.8	G155 Y156 I157	G155-E159 WeakPolarHBondContact O-CG 3.48Å; G155-E159 PolarHBondContact O-N 3.4Å; G155-E159 VanDerWaalsContact O-N 3.13Å; Y156-E159 PolarHBondContact O-N 2.9Å; I157-E159 VanDerWaalsContact C-N 3.32Å; I157-E159 PolarHBondContact O-N 2.75Å
160	H	94.5	Very high	92.5	Very high	56 Å²	56	62.5 Å²	62.5	26%	0.259	30%	0.303	S	S	.	.	H	α-helix	trans	-124.1	15.1	-171.3	-62.9	-54.8	0	0	0	114.7	V131 Y156 I157 Q158 L162 R163 I164	V131-H160 HydrophobicContact CG1-CB 4.25Å; Y156-H160 AromaticContact CD2-CD2 3.63Å; Y156-H160 AromaticContact CD2-NE2 3.98Å; Y156-H160 AromaticContact CE1-CD2 3.77Å; Y156-H160 AromaticContact CE2-CD2 3.37Å; Y156-H160 WeakPolarHBondContact CE2-CD2 3.44Å; Y156-H160 AromaticContact CE2-NE2 3.58Å; Y156-H160 AromaticContact CG-CD2 3.95Å; Y156-H160 AromaticContact CZ-CD2 3.43Å; Y156-H160 VanDerWaalsContact CZ-CD2 3.43Å; Y156-H160 AromaticContact CZ-NE2 3.98Å; Y156-H160 PolarHBondContact O-CD2 2.76Å; Y156-H160 PolarHBondContact O-N 2.92Å; I157-H160 PolarHBondContact O-N 2.84Å; Q158-H160 VanDerWaalsContact C-N 3.33Å; Q158-H160 PolarHBondContact O-N 3.21Å; H160-L162 VanDerWaalsContact C-N 3.3Å; H160-L162 PolarHBondContact O-N 3.42Å; H160-L162 VanDerWaalsContact O-N 3.12Å; H160-R163 PolarHBondContact O-N 3.41Å; H160-R163 VanDerWaalsContact O-N 3.08Å; H160-I164 HydrophobicContact CB-CD1 3.81Å; H160-I164 HydrophobicContact CB-CG1 4.23Å; H160-I164 WeakPolarHBondContact O-CG1 3.36Å; H160-I164 PolarHBondContact O-N 2.75Å
161	L	92.6	Very high	91.9	Very high	3 Å²	3	66.1 Å²	66.1	2%	0.016	32%	0.322	C	S	.	.	H	α-helix	trans	-51.2	-43.6	-170.1	-178.9	61.5	0	0	0	113.7	I157 R163 I164 S165 F170 A292 E294 L304	I157-L161 WeakPolarHBondContact O-CA 3.35Å; I157-L161 PolarHBondContact O-N 3.46Å; L161-R163 PolarHBondContact O-N 2.81Å; L161-I164 PolarHBondContact O-N 2.87Å; L161-S165 WeakPolarHBondContact O-CB 3.41Å; L161-S165 PolarHBondContact O-N 3.08Å; L161-F170 HydrophobicContact CD1-CE2 3.82Å; L161-F170 HydrophobicContact CD1-CZ 4.18Å; L161-A292 HydrophobicContact CB-CB 4.17Å; L161-A292 HydrophobicContact CD1-CB 4.08Å; L161-A292 HydrophobicContact CD2-CB 3.72Å; L161-A292 HydrophobicContact CG-CB 4.2Å; L161-E294 HydrophobicContact CD2-CB 3.96Å; L161-L304 HydrophobicContact CD1-CB 4.26Å
162	L	89.2	Confident	91.5	Very high	89 Å²	89	68.2 Å²	68.2	47%	0.466	32%	0.321	S	S	.	.	H	α-helix	trans	-57.7	-49.5	179.9	-74.4	172.8	0	0	0	112.4	H160 I164 S165 E294 T296	H160-L162 VanDerWaalsContact C-N 3.3Å; H160-L162 PolarHBondContact O-N 3.42Å; H160-L162 VanDerWaalsContact O-N 3.12Å; L162-I164 VanDerWaalsContact C-N 3.33Å; L162-I164 PolarHBondContact O-N 3.1Å; L162-S165 PolarHBondContact O-N 3.34Å; L162-S165 PolarHBondContact O-OG 2.72Å; L162-E294 HydrophobicContact CD1-CG 4.17Å; L162-E294 HydrophobicContact CD2-CB 4.4Å; L162-E294 HydrophobicContact CD2-CG 3.67Å; L162-E294 HydrophobicContact CG-CG 3.82Å; L162-T296 HydrophobicContact CD2-CG2 4.43Å
163	R	92.1	Very high	91.1	Very high	166 Å²	166	64.3 Å²	64.3	63%	0.626	31%	0.305	S	S	*	.	H	α-helix	trans	-69	-34.3	179.6	-66	-176.8	-177.1	172.7	0.9	112.1	V131 H160 L161 S165 Q167	V131-R163 HydrophobicContact CG1-CB 4.21Å; H160-R163 PolarHBondContact O-N 3.41Å; H160-R163 VanDerWaalsContact O-N 3.08Å; L161-R163 PolarHBondContact O-N 2.81Å; R163-S165 VanDerWaalsContact C-N 3.31Å; R163-Q167 WeakPolarHBondContact O-CG 3.44Å; R163-Q167 PolarHBondContact O-NE2 3.05Å
164	I	93.6	Very high	90.7	Very high	1 Å²	1	67 Å²	67	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-67.4	-36	176.3	-65.4	165.9	0	0	0	110.2	V131 C134 I135 I157 H160 L161 L162 E166 Q167 F170	V131-I164 HydrophobicContact CB-CG1 4.1Å; V131-I164 HydrophobicContact CG1-CG1 3.99Å; C134-I164 VanDerWaalsContact SG-CD1 3.6Å; I135-I164 HydrophobicContact CD1-CG2 4.26Å; I135-I164 HydrophobicContact CG1-CG2 4.27Å; I157-I164 HydrophobicContact CB-CD1 4.2Å; I157-I164 HydrophobicContact CG1-CD1 4.13Å; I157-I164 HydrophobicContact CG2-CD1 4.18Å; H160-I164 HydrophobicContact CB-CD1 3.81Å; H160-I164 HydrophobicContact CB-CG1 4.23Å; H160-I164 WeakPolarHBondContact O-CG1 3.36Å; H160-I164 PolarHBondContact O-N 2.75Å; L161-I164 PolarHBondContact O-N 2.87Å; L162-I164 VanDerWaalsContact C-N 3.33Å; L162-I164 PolarHBondContact O-N 3.1Å; I164-E166 PolarHBondContact O-N 3.16Å; I164-E166 VanDerWaalsContact O-N 3.14Å; I164-Q167 WeakPolarHBondContact O-CB 2.91Å; I164-Q167 PolarHBondContact O-N 2.86Å; I164-F170 HydrophobicContact CG2-CB 4.35Å; I164-F170 HydrophobicContact CG2-CD2 3.8Å; I164-F170 HydrophobicContact CG2-CG 4.41Å; I164-F170 WeakPolarHBondContact O-CB 3.38Å
165	S	89.3	Confident	90.5	Very high	26 Å²	26	69.9 Å²	69.9	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-63.9	-20.2	-178.1	77.1	0	0	0	0	114.5	L161 L162 R163 F170	L161-S165 WeakPolarHBondContact O-CB 3.41Å; L161-S165 PolarHBondContact O-N 3.08Å; L162-S165 PolarHBondContact O-N 3.34Å; L162-S165 PolarHBondContact O-OG 2.72Å; R163-S165 VanDerWaalsContact C-N 3.31Å; S165-F170 VanDerWaalsContact CA-CD1 3.48Å
166	E	89.3	Confident	90.1	Very high	147 Å²	147	68.6 Å²	68.6	69%	0.687	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-9.1	176.8	-62.6	174.2	171.4	0	0	112.7	I164	I164-E166 PolarHBondContact O-N 3.16Å; I164-E166 VanDerWaalsContact O-N 3.14Å
167	Q	91.5	Very high	89.7	Confident	43 Å²	43	70.4 Å²	70.4	20%	0.201	33%	0.329	C	S	.	.	S	Bend	trans	-85.2	148	-176.6	-53.8	-52.6	-53.5	0	0	112.2	Q132 R163 I164 E169 F170 L171	Q132-Q167 HydrophobicContact CG-CG 4.43Å; Q132-Q167 VanDerWaalsContact CG-OE1 3.26Å; R163-Q167 WeakPolarHBondContact O-CG 3.44Å; R163-Q167 PolarHBondContact O-NE2 3.05Å; I164-Q167 WeakPolarHBondContact O-CB 2.91Å; I164-Q167 PolarHBondContact O-N 2.86Å; Q167-E169 VanDerWaalsContact C-N 3.34Å; Q167-E169 PolarHBondContact O-N 2.89Å; Q167-F170 WeakPolarHBondContact O-CB 3.42Å; Q167-F170 PolarHBondContact O-N 2.87Å; Q167-L171 PolarHBondContact O-N 3.1Å; Q167-L171 VanDerWaalsContact O-N 3.1Å
168	E	85.6	Confident	89.2	Confident	131 Å²	131	70.5 Å²	70.5	61%	0.612	33%	0.329	S	S	*	.	H	α-helix	trans	-56.2	-43	-175.8	-161	-166	139.1	0	0	113.2	F170 L171 K172	E168-F170 VanDerWaalsContact C-N 3.28Å; E168-F170 PolarHBondContact O-N 3.28Å; E168-L171 PolarHBondContact O-N 2.85Å; E168-L171 VanDerWaalsContact O-N 3.08Å; E168-K172 WeakPolarHBondContact O-CG 3.42Å; E168-K172 PolarHBondContact O-N 3.34Å; E168-K172 VanDerWaalsContact O-N 3.1Å; E168-K172 WeakPolarHBondContact OE1-CE 3.47Å; E168-K172 IonicContact OE1-NZ 2.8Å; E168-K172 PolarHBondContact OE1-NZ 2.89Å
169	E	83.4	Confident	88.7	Confident	72 Å²	72	67.2 Å²	67.2	34%	0.336	31%	0.314	S	S	.	.	H	α-helix	trans	-64	-32	179	-70.4	-64.6	108.9	0	0	112.9	I135 Q167 K172	I135-E169 HydrophobicContact CB-CB 4.37Å; Q167-E169 VanDerWaalsContact C-N 3.34Å; Q167-E169 PolarHBondContact O-N 2.89Å; E169-K172 IonicContact OE1-NZ 3.57Å; E169-K172 PolarHBondContact OE1-NZ 3.45Å
170	F	89.6	Confident	88.2	Confident	2 Å²	2	60 Å²	60	1%	0.009	28%	0.28	C	S	.	.	H	α-helix	trans	-73.9	-35.9	173.6	-172	-84.3	0	0	0	111.2	I135 L161 I164 S165 Q167 E168 K172 L173 L302 L304 V313	I135-F170 HydrophobicContact CD1-CD2 4.43Å; L161-F170 HydrophobicContact CD1-CE2 3.82Å; L161-F170 HydrophobicContact CD1-CZ 4.18Å; I164-F170 HydrophobicContact CG2-CB 4.35Å; I164-F170 HydrophobicContact CG2-CD2 3.8Å; I164-F170 HydrophobicContact CG2-CG 4.41Å; I164-F170 WeakPolarHBondContact O-CB 3.38Å; S165-F170 VanDerWaalsContact CA-CD1 3.48Å; Q167-F170 WeakPolarHBondContact O-CB 3.42Å; Q167-F170 PolarHBondContact O-N 2.87Å; E168-F170 VanDerWaalsContact C-N 3.28Å; E168-F170 PolarHBondContact O-N 3.28Å; F170-K172 PolarHBondContact O-N 2.8Å; F170-L173 HydrophobicContact CD2-CD1 4.1Å; F170-L173 HydrophobicContact CG-CD1 4.42Å; F170-L173 WeakPolarHBondContact O-CB 3.36Å; F170-L173 PolarHBondContact O-N 3.06Å; F170-L302 HydrophobicContact CE1-CD1 4.37Å; F170-L302 HydrophobicContact CE1-CD2 4.34Å; F170-L302 HydrophobicContact CZ-CD1 4.39Å; F170-L302 HydrophobicContact CZ-CD2 4.16Å; F170-L302 HydrophobicContact CZ-CG 4.48Å; F170-L304 HydrophobicContact CD2-CD1 4.39Å; F170-L304 HydrophobicContact CE2-CB 4.26Å; F170-L304 HydrophobicContact CE2-CD1 3.83Å; F170-L304 HydrophobicContact CE2-CD2 4.39Å; F170-L304 HydrophobicContact CE2-CG 4.38Å; F170-V313 HydrophobicContact CD1-CG2 4.29Å; F170-V313 HydrophobicContact CE1-CG1 4.2Å; F170-V313 HydrophobicContact CE1-CG2 3.66Å; F170-V313 HydrophobicContact CE2-CG2 4.12Å; F170-V313 HydrophobicContact CZ-CG1 4.21Å; F170-V313 HydrophobicContact CZ-CG2 3.56Å
171	L	81.8	Confident	87.5	Confident	96 Å²	96	59.6 Å²	59.6	50%	0.503	28%	0.279	S	S	.	.	H	α-helix	trans	-67.4	-23.5	177.4	-63.8	178.7	0	0	0	113.2	Q167 E168 L173 R175	Q167-L171 PolarHBondContact O-N 3.1Å; Q167-L171 VanDerWaalsContact O-N 3.1Å; E168-L171 PolarHBondContact O-N 2.85Å; E168-L171 VanDerWaalsContact O-N 3.08Å; L171-L173 VanDerWaalsContact C-N 3.34Å; L171-R175 PolarHBondContact O-NH1 3.14Å
172	K	84.5	Confident	86.8	Confident	122 Å²	122	59.8 Å²	59.8	53%	0.53	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-12.1	174.9	-68.4	169.6	-172.8	163.1	0	114.5	E168 E169 F170	E168-K172 WeakPolarHBondContact O-CG 3.42Å; E168-K172 PolarHBondContact O-N 3.34Å; E168-K172 VanDerWaalsContact O-N 3.1Å; E168-K172 WeakPolarHBondContact OE1-CE 3.47Å; E168-K172 IonicContact OE1-NZ 2.8Å; E168-K172 PolarHBondContact OE1-NZ 2.89Å; E169-K172 IonicContact OE1-NZ 3.57Å; E169-K172 PolarHBondContact OE1-NZ 3.45Å; F170-K172 PolarHBondContact O-N 2.8Å
173	L	88.5	Confident	85.9	Confident	18 Å²	18	59 Å²	59	9%	0.094	27%	0.274	C	S	.	.	S	Bend	trans	-68.9	143.9	-176.6	-65.2	175.5	0	0	0	112.1	I135 F170 L171 R175 L304 L311 V313	I135-L173 HydrophobicContact CG2-CD2 4.24Å; F170-L173 HydrophobicContact CD2-CD1 4.1Å; F170-L173 HydrophobicContact CG-CD1 4.42Å; F170-L173 WeakPolarHBondContact O-CB 3.36Å; F170-L173 PolarHBondContact O-N 3.06Å; L171-L173 VanDerWaalsContact C-N 3.34Å; L173-R175 PolarHBondContact O-NH1 2.95Å; L173-R175 VanDerWaalsContact O-NH1 3.16Å; L173-L304 HydrophobicContact CD1-CD1 3.44Å; L173-L304 VanDerWaalsContact CD1-CD1 3.44Å; L173-L311 HydrophobicContact CD1-CG 4.42Å; L173-L311 HydrophobicContact CD2-CD2 4.09Å; L173-L311 HydrophobicContact CD2-CG 4.16Å; L173-V313 HydrophobicContact CB-CG2 3.92Å; L173-V313 HydrophobicContact CD1-CG2 3.97Å
174	P	88.2	Confident	84.5	Confident	58 Å²	58	56.2 Å²	56.2	38%	0.377	27%	0.272	S	S	.	.			trans	-53.4	146.9	171.2	-24.6	33.2	0	0	0	111.9	M217 V310 C312 V313	P174-M217 HydrophobicContact CB-CE 4.34Å; P174-M217 HydrophobicContact CB-SD 3.59Å; P174-M217 VanDerWaalsContact CB-SD 3.59Å; P174-V310 HydrophobicContact CG-CG1 4.2Å; P174-C312 HydrophobicContact CB-CB 4.08Å; P174-C312 CarbonylContact O-C 3.49Å; P174-C312 WeakPolarHBondContact O-CA 3.5Å; P174-C312 VanDerWaalsContact O-CB 3.31Å; P174-C312 WeakPolarHBondContact O-CB 3.07Å; P174-V313 PolarHBondContact O-N 2.97Å
175	R	89.6	Confident	82.9	Confident	71 Å²	71	64.6 Å²	64.6	27%	0.268	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	121.2	-172.7	-79.6	178.4	169.3	76.5	1.4	112.4	L171 L173 K177 M217 V313	L171-R175 PolarHBondContact O-NH1 3.14Å; L173-R175 PolarHBondContact O-NH1 2.95Å; L173-R175 VanDerWaalsContact O-NH1 3.16Å; R175-K177 HydrophobicContact CB-CG 4.4Å; R175-M217 WeakPolarHBondContact O-CB 3.39Å; R175-V313 CarbonylContact C-O 3.57Å; R175-V313 VanDerWaalsContact CA-O 3.26Å; R175-V313 WeakPolarHBondContact CA-O 3.25Å; R175-V313 HydrophobicContact CG-CB 4.06Å; R175-V313 HydrophobicContact CG-CG1 4.49Å
176	L	88.6	Confident	81.7	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	108.3	163.4	-179.5	63.9	0	0	0	108.6	L178 V198 W201 V202 L216 M217 Q221 L307 V313 I314 F315	L176-L178 HydrophobicContact CD1-CD2 4.04Å; L176-L178 HydrophobicContact CD2-CD1 4.44Å; L176-L178 HydrophobicContact CD2-CD2 4.27Å; L176-L178 HydrophobicContact CG-CD2 3.88Å; L176-L178 HydrophobicContact CG-CG 4.17Å; L176-V198 HydrophobicContact CD2-CG1 3.97Å; L176-W201 HydrophobicContact CD1-CZ3 4.26Å; L176-W201 HydrophobicContact CD2-CZ3 4.3Å; L176-V202 HydrophobicContact CD2-CG2 3.55Å; L176-L216 HydrophobicContact CD1-CB 4.08Å; L176-L216 VanDerWaalsContact CD1-O 3.23Å; L176-L216 WeakPolarHBondContact CD1-O 3.28Å; L176-M217 HydrophobicContact CB-CE 4.13Å; L176-M217 HydrophobicContact CB-CG 4.2Å; L176-M217 HydrophobicContact CD1-CG 4.43Å; L176-Q221 HydrophobicContact CD1-CG 4.3Å; L176-L307 HydrophobicContact CD2-CD1 4.03Å; L176-V313 PolarHBondContact N-O 2.97Å; L176-I314 HydrophobicContact CB-CG1 4.41Å; L176-I314 HydrophobicContact CD2-CG1 4.33Å; L176-I314 HydrophobicContact CD2-CG2 4.44Å; L176-I314 WeakPolarHBondContact O-CA 3.32Å; L176-F315 PolarHBondContact O-N 3.17Å
177	K	87.1	Confident	80.6	Confident	96 Å²	96	60.1 Å²	60.1	42%	0.417	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.1	-179.2	-64.7	174.3	-171.5	161.6	0	109.8	R175 V220 Q221 F315	R175-K177 HydrophobicContact CB-CG 4.4Å; K177-V220 HydrophobicContact CB-CG2 4.09Å; K177-V220 HydrophobicContact CD-CG2 4.15Å; K177-Q221 PolarHBondContact O-N 3.26Å; K177-F315 WeakPolarHBondContact CA-O 3.36Å
178	L	85.7	Confident	79.6	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.016	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.7	-177.1	-55.4	178.2	0	0	0	110.6	L176 V180 V198 W201 Q221 L223 I314 F315 L316 H317	L176-L178 HydrophobicContact CD1-CD2 4.04Å; L176-L178 HydrophobicContact CD2-CD1 4.44Å; L176-L178 HydrophobicContact CD2-CD2 4.27Å; L176-L178 HydrophobicContact CG-CD2 3.88Å; L176-L178 HydrophobicContact CG-CG 4.17Å; L178-V180 HydrophobicContact CB-CG2 4.42Å; L178-V198 HydrophobicContact CD1-CB 4.2Å; L178-V198 HydrophobicContact CD1-CG1 3.49Å; L178-V198 VanDerWaalsContact CD1-CG1 3.49Å; L178-V198 HydrophobicContact CD1-CG2 3.59Å; L178-W201 HydrophobicContact CD2-CH2 4.3Å; L178-W201 HydrophobicContact CD2-CZ3 3.91Å; L178-Q221 CarbonylContact C-O 3.59Å; L178-Q221 WeakPolarHBondContact CA-O 3.23Å; L178-Q221 HydrophobicContact CD2-CB 3.6Å; L178-Q221 HydrophobicContact CD2-CG 4.19Å; L178-L223 HydrophobicContact CD1-CD1 4.39Å; L178-L223 HydrophobicContact CD2-CD1 4.06Å; L178-I314 HydrophobicContact CD1-CG2 3.99Å; L178-F315 PolarHBondContact N-O 2.77Å; L178-L316 HydrophobicContact CB-CB 4.37Å; L178-L316 HydrophobicContact CB-CG 4.01Å; L178-L316 HydrophobicContact CD1-CD1 4.14Å; L178-L316 HydrophobicContact CD1-CG 4.34Å; L178-L316 WeakPolarHBondContact O-CA 3.42Å; L178-H317 PolarHBondContact O-N 3.28Å
179	E	83.2	Confident	78.8	Confident	59 Å²	59	54.1 Å²	54.1	28%	0.276	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.2	162.9	-80.6	-166.9	-170.1	0	0	109.3	V220 Q221 T222 L223 R319	E179-V220 HydrophobicContact CB-CG1 4.1Å; E179-V220 HydrophobicContact CG-CG1 3.62Å; E179-Q221 PolarHBondContact N-O 3.14Å; E179-T222 CarbonylContact O-C 3.58Å; E179-T222 WeakPolarHBondContact O-CA 3.25Å; E179-L223 PolarHBondContact O-N 2.82Å; E179-R319 IonicContact OE1-CZ 3.99Å; E179-R319 IonicContact OE1-NH1 3.84Å; E179-R319 PolarHBondContact OE1-NH1 3.15Å; E179-R319 IonicContact OE2-CZ 3.48Å; E179-R319 IonicContact OE2-NH1 2.61Å; E179-R319 PolarHBondContact OE2-NH1 3.44Å
180	V	84.1	Confident	77.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	110.9	-177.3	-175.2	0	0	0	0	110.1	L178 L188 L223 Y225 L231 L316 H317 G318 R319	L178-V180 HydrophobicContact CB-CG2 4.42Å; V180-L188 HydrophobicContact CB-CD2 4.43Å; V180-L188 HydrophobicContact CG1-CD2 3.95Å; V180-L223 CarbonylContact C-O 3.57Å; V180-L223 VanDerWaalsContact CA-O 3.29Å; V180-L223 WeakPolarHBondContact CA-O 3.28Å; V180-L223 HydrophobicContact CG2-CB 4.45Å; V180-Y225 VanDerWaalsContact CG1-CB 3.49Å; V180-Y225 HydrophobicContact CG1-CG 4.46Å; V180-L231 HydrophobicContact CG1-CD1 4.06Å; V180-L231 HydrophobicContact CG2-CD1 4.37Å; V180-L316 HydrophobicContact CB-CD2 3.96Å; V180-L316 HydrophobicContact CG2-CD1 4.12Å; V180-L316 HydrophobicContact CG2-CD2 3.44Å; V180-L316 VanDerWaalsContact CG2-CD2 3.44Å; V180-L316 HydrophobicContact CG2-CG 3.69Å; V180-H317 PolarHBondContact N-O 3.09Å; V180-G318 WeakPolarHBondContact O-CA 3.24Å; V180-R319 PolarHBondContact O-N 2.81Å
181	M	79.4	Confident	76.4	Confident	49 Å²	49	59 Å²	59	24%	0.241	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	126.1	174	-66.5	-170.5	-70	0	0	110	T222 L223 Y224 Y225 L237 R319	M181-T222 HydrophobicContact CE-CG2 3.65Å; M181-T222 HydrophobicContact CG-CG2 4.38Å; M181-T222 HydrophobicContact SD-CG2 4.33Å; M181-L223 PolarHBondContact N-O 3.45Å; M181-Y224 HydrophobicContact CB-CD2 4.03Å; M181-Y225 PolarHBondContact O-N 3Å; M181-L237 HydrophobicContact CE-CD1 4.27Å; M181-R319 CarbonylContact C-O 3.49Å; M181-R319 WeakPolarHBondContact CA-O 3.19Å
182	L	77.7	Confident	75.5	Confident	7 Å²	7	56 Å²	56	4%	0.037	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.4	-177.6	-63.5	164.2	0	0	0	110.4	L188 Y225 R319 S321	L182-L188 HydrophobicContact CD1-CG 4.27Å; L182-L188 HydrophobicContact CD2-CD2 3.8Å; L182-L188 HydrophobicContact CD2-CG 3.79Å; L182-Y225 HydrophobicContact CD2-CD1 3.83Å; L182-Y225 HydrophobicContact CD2-CG 4.31Å; L182-R319 PolarHBondContact N-O 3.33Å; L182-S321 PolarHBondContact O-N 2.99Å
183	E	71.4	Confident	75	Confident	73 Å²	73	57 Å²	57	34%	0.341	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-65.6	152.2	165.9	-159.6	164.9	171.9	0	0	110.9	N185 V186 Y224 Y225 A227	E183-N185 PolarHBondContact O-N 2.81Å; E183-V186 HydrophobicContact CB-CG2 4.1Å; E183-V186 WeakPolarHBondContact O-CB 3.46Å; E183-V186 PolarHBondContact O-N 3.44Å; E183-Y224 VanDerWaalsContact CB-OH 3.27Å; E183-Y224 WeakPolarHBondContact CB-OH 3.37Å; E183-Y224 WeakPolarHBondContact CG-OH 3.36Å; E183-Y224 PolarHBondContact OE2-OH 3.04Å; E183-Y224 VanDerWaalsContact OE2-OH 3.09Å; E183-Y225 PolarHBondContact N-O 3.37Å; E183-A227 WeakPolarHBondContact OE2-CB 3.44Å; E183-A227 PolarHBondContact OE2-N 3.3Å
184	D	61.8	Low	74.6	Confident	107 Å²	107	56.1 Å²	56.1	57%	0.572	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	129.8	-175.5	-76.6	-23.7	0	0	0	111.9	V186	D184-V186 VanDerWaalsContact C-N 3.3Å; D184-V186 PolarHBondContact O-N 3.45Å
185	N	60	Low	74.4	Confident	177 Å²	177	53.7 Å²	53.7	95%	0.947	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	14.8	-177.4	-53.3	-55.5	0	0	0	116.5	E183	E183-N185 PolarHBondContact O-N 2.81Å
186	V	65.8	Low	74.2	Confident	23 Å²	23	53.5 Å²	53.5	14%	0.139	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-102	125.2	174.5	-173.6	0	0	0	0	111	E183 D184 Y225 A227	E183-V186 HydrophobicContact CB-CG2 4.1Å; E183-V186 WeakPolarHBondContact O-CB 3.46Å; E183-V186 PolarHBondContact O-N 3.44Å; D184-V186 VanDerWaalsContact C-N 3.3Å; D184-V186 PolarHBondContact O-N 3.45Å; V186-Y225 HydrophobicContact CG1-CD1 3.64Å; V186-Y225 HydrophobicContact CG1-CE1 3.56Å; V186-A227 HydrophobicContact CG2-CB 4.35Å
187	G	66.3	Low	74	Confident	56 Å²	56	56.6 Å²	56.6	58%	0.577	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-100.8	147.2	174	0	0	0	0	0	112.4
188	L	69.6	Low	74	Confident	16 Å²	16	52 Å²	52	8%	0.084	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-66.8	127.5	173.3	-74.6	173.5	0	0	0	111	V180 L182 S190 L194 Y225 Y301 L316	V180-L188 HydrophobicContact CB-CD2 4.43Å; V180-L188 HydrophobicContact CG1-CD2 3.95Å; L182-L188 HydrophobicContact CD1-CG 4.27Å; L182-L188 HydrophobicContact CD2-CD2 3.8Å; L182-L188 HydrophobicContact CD2-CG 3.79Å; L188-S190 PolarHBondContact O-N 2.95Å; L188-L194 HydrophobicContact CB-CD2 4.24Å; L188-L194 HydrophobicContact CD1-CD2 4.5Å; L188-L194 HydrophobicContact CD2-CD1 3.95Å; L188-L194 HydrophobicContact CD2-CD2 4.08Å; L188-Y225 HydrophobicContact CD2-CG 4.44Å; L188-Y301 HydrophobicContact CB-CE2 3.71Å; L188-Y301 WeakPolarHBondContact CB-OH 3.23Å; L188-Y301 HydrophobicContact CD1-CD2 3.92Å; L188-Y301 HydrophobicContact CD1-CE2 3.6Å; L188-Y301 HydrophobicContact CG-CE2 4.31Å; L188-Y301 PolarHBondContact O-OH 2.47Å; L188-L316 HydrophobicContact CD1-CD2 3.5Å; L188-L316 VanDerWaalsContact CD1-CD2 3.5Å
189	P	67.9	Low	74.2	Confident	31 Å²	31	52.6 Å²	52.6	20%	0.201	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-65.6	134	-179.6	22.8	-27.5	0	0	0	110.7	N191 L194	P189-N191 VanDerWaalsContact C-N 3.26Å; P189-N191 WeakPolarHBondContact CB-OD1 3.34Å; P189-N191 PolarHBondContact O-N 3.02Å; P189-L194 HydrophobicContact CG-CB 4.17Å
190	S	63.1	Low	74.4	Confident	101 Å²	101	53.1 Å²	53.1	71%	0.706	30%	0.304	S	S	*	.	S	Bend	trans	-80.2	-6.3	176.5	54.9	0	0	0	0	113.8	L188	L188-S190 PolarHBondContact O-N 2.95Å
191	N	60.4	Low	74.6	Confident	75 Å²	75	53.7 Å²	53.7	40%	0.401	31%	0.306	S	S	.	.	S	Bend	trans	-86.4	151.8	177	58.1	31.3	0	0	0	110.3	P189 K193 L194	P189-N191 VanDerWaalsContact C-N 3.26Å; P189-N191 WeakPolarHBondContact CB-OD1 3.34Å; P189-N191 PolarHBondContact O-N 3.02Å; N191-K193 PolarHBondContact O-N 2.7Å; N191-K193 VanDerWaalsContact OD1-CB 3.28Å; N191-K193 WeakPolarHBondContact OD1-CB 3.35Å; N191-K193 WeakPolarHBondContact OD1-CG 3.43Å; N191-L194 PolarHBondContact O-N 2.81Å
192	G	63.5	Low	75	Confident	34 Å²	34	51.4 Å²	51.4	35%	0.351	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-5.2	-177.7	0	0	0	0	0	116.1	L194 Y195 T196	G192-L194 PolarHBondContact O-N 3.2Å; G192-Y195 PolarHBondContact O-N 2.82Å; G192-T196 PolarHBondContact O-N 3.16Å; G192-T196 VanDerWaalsContact O-N 3.11Å; G192-T196 PolarHBondContact O-OG1 3.23Å; G192-T196 VanDerWaalsContact O-OG1 3.13Å
193	K	73.6	Confident	75.4	Confident	142 Å²	142	52.6 Å²	52.6	62%	0.617	30%	0.301	S	S	*	.	H	α-helix	trans	-60.5	-28.4	173.2	-56.5	-176.7	178.5	-178.4	0	113	N191 K197	N191-K193 PolarHBondContact O-N 2.7Å; N191-K193 VanDerWaalsContact OD1-CB 3.28Å; N191-K193 WeakPolarHBondContact OD1-CB 3.35Å; N191-K193 WeakPolarHBondContact OD1-CG 3.43Å; K193-K197 WeakPolarHBondContact O-CG 3.12Å; K193-K197 PolarHBondContact O-N 3.49Å; K193-K197 VanDerWaalsContact O-N 3.16Å
194	L	80.6	Confident	76	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-51.5	174.2	-178.2	55.4	0	0	0	110.6	L188 P189 N191 G192 T196 K197 V198 Y301 L316	L188-L194 HydrophobicContact CB-CD2 4.24Å; L188-L194 HydrophobicContact CD1-CD2 4.5Å; L188-L194 HydrophobicContact CD2-CD1 3.95Å; L188-L194 HydrophobicContact CD2-CD2 4.08Å; P189-L194 HydrophobicContact CG-CB 4.17Å; N191-L194 PolarHBondContact O-N 2.81Å; G192-L194 PolarHBondContact O-N 3.2Å; L194-T196 VanDerWaalsContact C-N 3.3Å; L194-T196 PolarHBondContact O-N 3.1Å; L194-K197 WeakPolarHBondContact O-CA 3.44Å; L194-K197 WeakPolarHBondContact O-CB 3.34Å; L194-K197 PolarHBondContact O-N 3.12Å; L194-V198 PolarHBondContact O-N 2.83Å; L194-Y301 HydrophobicContact CD2-CD1 4.44Å; L194-Y301 HydrophobicContact CD2-CG 4.46Å; L194-L316 HydrophobicContact CD1-CD1 4.11Å; L194-L316 HydrophobicContact CD2-CD1 3.7Å; L194-L316 HydrophobicContact CD2-CD2 4.34Å; L194-L316 HydrophobicContact CG-CD1 3.81Å
195	Y	84	Confident	77.1	Confident	7 Å²	7	50.8 Å²	50.8	3%	0.027	28%	0.283	C	S	.	.	H	α-helix	trans	-67.7	-30.3	179.8	-63	-67.3	0	0	0	112.8	G192 K197 V198 I199 S293 Y301 L302 C303 I314	G192-Y195 PolarHBondContact O-N 2.82Å; Y195-K197 VanDerWaalsContact C-N 3.3Å; Y195-K197 PolarHBondContact O-N 3.18Å; Y195-V198 PolarHBondContact O-N 3.04Å; Y195-I199 WeakPolarHBondContact O-CG1 3.14Å; Y195-I199 PolarHBondContact O-N 3.46Å; Y195-S293 VanDerWaalsContact CE2-CB 3.43Å; Y195-Y301 VanDerWaalsContact OH-CB 3.25Å; Y195-Y301 WeakPolarHBondContact OH-CB 3.49Å; Y195-L302 PolarHBondContact OH-N 3.14Å; Y195-L302 PolarHBondContact OH-O 3.04Å; Y195-C303 HydrophobicContact CD1-CB 3.48Å; Y195-C303 VanDerWaalsContact CD1-CB 3.48Å; Y195-C303 HydrophobicContact CD2-CB 4.08Å; Y195-C303 HydrophobicContact CE1-CB 3.16Å; Y195-C303 HydrophobicContact CE2-CB 3.81Å; Y195-C303 HydrophobicContact CG-CB 3.91Å; Y195-I314 HydrophobicContact CD1-CB 4.4Å; Y195-I314 HydrophobicContact CD1-CD1 4.4Å; Y195-I314 HydrophobicContact CD1-CG2 4.12Å; Y195-I314 HydrophobicContact CE1-CB 4.34Å; Y195-I314 HydrophobicContact CE1-CG2 4.07Å
196	T	84.2	Confident	78.2	Confident	67 Å²	67	43.8 Å²	43.8	41%	0.411	25%	0.245	S	C	.	.	H	α-helix	trans	-61.5	-39.5	169.2	-48.7	0	0	0	0	111.7	G192 L194 I199 N200	G192-T196 PolarHBondContact O-N 3.16Å; G192-T196 VanDerWaalsContact O-N 3.11Å; G192-T196 PolarHBondContact O-OG1 3.23Å; G192-T196 VanDerWaalsContact O-OG1 3.13Å; L194-T196 VanDerWaalsContact C-N 3.3Å; L194-T196 PolarHBondContact O-N 3.1Å; T196-I199 PolarHBondContact O-N 3.32Å; T196-N200 PolarHBondContact O-N 2.8Å; T196-N200 PolarHBondContact O-ND2 2.77Å
197	K	85.1	Confident	79	Confident	66 Å²	66	50.3 Å²	50.3	29%	0.287	27%	0.267	S	S	.	.	H	α-helix	trans	-67.4	-39.2	175.3	-69.7	171	-177	-73.2	0	111.7	K193 L194 Y195 N200 W201 Y225 H229 L231	K193-K197 WeakPolarHBondContact O-CG 3.12Å; K193-K197 PolarHBondContact O-N 3.49Å; K193-K197 VanDerWaalsContact O-N 3.16Å; L194-K197 WeakPolarHBondContact O-CA 3.44Å; L194-K197 WeakPolarHBondContact O-CB 3.34Å; L194-K197 PolarHBondContact O-N 3.12Å; Y195-K197 VanDerWaalsContact C-N 3.3Å; Y195-K197 PolarHBondContact O-N 3.18Å; K197-N200 PolarHBondContact O-N 2.8Å; K197-W201 WeakPolarHBondContact O-CB 3.41Å; K197-W201 PolarHBondContact O-N 2.66Å; K197-Y225 HydrophobicContact CD-CE2 4.25Å; K197-H229 WeakPolarHBondContact CE-O 3.39Å; K197-H229 PolarHBondContact NZ-O 2.86Å; K197-L231 HydrophobicContact CB-CB 4.45Å; K197-L231 HydrophobicContact CB-CD2 4.42Å
198	V	87.8	Confident	79.5	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.9	-48.5	173.3	172.6	0	0	0	0	111.1	L176 L178 L194 Y195 N200 W201 V202 L231 I314 L316	L176-V198 HydrophobicContact CD2-CG1 3.97Å; L178-V198 HydrophobicContact CD1-CB 4.2Å; L178-V198 HydrophobicContact CD1-CG1 3.49Å; L178-V198 VanDerWaalsContact CD1-CG1 3.49Å; L178-V198 HydrophobicContact CD1-CG2 3.59Å; L194-V198 PolarHBondContact O-N 2.83Å; Y195-V198 PolarHBondContact O-N 3.04Å; V198-N200 VanDerWaalsContact C-N 3.32Å; V198-N200 PolarHBondContact O-N 3.13Å; V198-W201 WeakPolarHBondContact O-CB 3.33Å; V198-W201 PolarHBondContact O-N 2.91Å; V198-W201 VanDerWaalsContact O-N 3.1Å; V198-V202 HydrophobicContact CG1-CG2 4.35Å; V198-V202 WeakPolarHBondContact O-CG2 3.4Å; V198-V202 PolarHBondContact O-N 3.39Å; V198-L231 HydrophobicContact CG2-CD2 4Å; V198-I314 HydrophobicContact CG1-CD1 4.13Å; V198-I314 HydrophobicContact CG1-CG2 4.05Å; V198-L316 HydrophobicContact CG2-CD1 3.92Å
199	I	88.4	Confident	79.6	Confident	15 Å²	15	58.3 Å²	58.3	8%	0.077	29%	0.292	C	S	.	.	H	α-helix	trans	-59.1	-45.2	177.9	-72.2	172.4	0	0	0	110.9	Y195 T196 W201 V202 Q203 W288 I290 L307	Y195-I199 WeakPolarHBondContact O-CG1 3.14Å; Y195-I199 PolarHBondContact O-N 3.46Å; T196-I199 PolarHBondContact O-N 3.32Å; I199-W201 VanDerWaalsContact C-N 3.26Å; I199-W201 PolarHBondContact O-N 2.71Å; I199-V202 PolarHBondContact O-N 3.31Å; I199-Q203 HydrophobicContact CG2-CG 4.41Å; I199-Q203 WeakPolarHBondContact O-CB 3.43Å; I199-Q203 VanDerWaalsContact O-CG 3.32Å; I199-Q203 WeakPolarHBondContact O-CG 3.28Å; I199-Q203 PolarHBondContact O-N 3.16Å; I199-W288 HydrophobicContact CG2-CB 4.38Å; I199-W288 HydrophobicContact CG2-CE3 3.93Å; I199-I290 HydrophobicContact CD1-CD1 4.02Å; I199-I290 HydrophobicContact CD1-CG1 3.57Å; I199-L307 HydrophobicContact CD1-CD2 4.34Å; I199-L307 HydrophobicContact CG1-CD2 3.71Å
200	N	87.1	Confident	79.8	Confident	69 Å²	69	59.9 Å²	59.9	37%	0.369	31%	0.314	S	S	.	.	H	α-helix	trans	-63	-35.2	177.4	-69.3	-15.7	0	0	0	112.3	T196 K197 V198 R204	T196-N200 PolarHBondContact O-N 2.8Å; T196-N200 PolarHBondContact O-ND2 2.77Å; K197-N200 PolarHBondContact O-N 2.8Å; V198-N200 VanDerWaalsContact C-N 3.32Å; V198-N200 PolarHBondContact O-N 3.13Å; N200-R204 WeakPolarHBondContact O-CG 3.26Å; N200-R204 PolarHBondContact O-N 3.3Å; N200-R204 VanDerWaalsContact O-N 3.13Å
201	W	88.8	Confident	80.5	Confident	13 Å²	13	57.7 Å²	57.7	5%	0.049	29%	0.294	C	S	.	.	H	α-helix	trans	-65.8	-51.4	174.4	167.9	79.9	0	0	0	110.7	L176 L178 K197 V198 I199 Q203 R204 S205 L216 Q221 L223 L231 D233	L176-W201 HydrophobicContact CD1-CZ3 4.26Å; L176-W201 HydrophobicContact CD2-CZ3 4.3Å; L178-W201 HydrophobicContact CD2-CH2 4.3Å; L178-W201 HydrophobicContact CD2-CZ3 3.91Å; K197-W201 WeakPolarHBondContact O-CB 3.41Å; K197-W201 PolarHBondContact O-N 2.66Å; V198-W201 WeakPolarHBondContact O-CB 3.33Å; V198-W201 PolarHBondContact O-N 2.91Å; V198-W201 VanDerWaalsContact O-N 3.1Å; I199-W201 VanDerWaalsContact C-N 3.26Å; I199-W201 PolarHBondContact O-N 2.71Å; W201-Q203 VanDerWaalsContact C-N 3.27Å; W201-Q203 PolarHBondContact O-N 2.97Å; W201-R204 WeakPolarHBondContact O-CB 3.49Å; W201-R204 PolarHBondContact O-N 3.22Å; W201-S205 PolarHBondContact O-N 3.48Å; W201-S205 PolarHBondContact O-OG 2.88Å; W201-L216 HydrophobicContact CH2-CD2 3.83Å; W201-L216 HydrophobicContact CZ2-CD2 4.23Å; W201-Q221 HydrophobicContact CH2-CB 3.81Å; W201-Q221 HydrophobicContact CH2-CG 3.73Å; W201-Q221 HydrophobicContact CZ2-CB 4.29Å; W201-Q221 HydrophobicContact CZ2-CG 4.49Å; W201-L223 HydrophobicContact CD2-CD1 3.89Å; W201-L223 HydrophobicContact CD2-CD2 4.18Å; W201-L223 HydrophobicContact CE3-CD1 4.08Å; W201-L223 HydrophobicContact CG-CD1 4.29Å; W201-L223 HydrophobicContact CZ2-CD1 4.45Å; W201-L223 HydrophobicContact CZ2-CD2 3.81Å; W201-L223 HydrophobicContact CZ3-CD1 4.48Å; W201-L231 HydrophobicContact CB-CD2 4.28Å; W201-D233 PolarHBondContact NE1-OD1 3.17Å
202	V	87.6	Confident	81.6	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-54.1	-44.2	175.3	173.7	0	0	0	0	111.5	L176 V198 I199 R204 S205 I206 L213 L216 W288 L307	L176-V202 HydrophobicContact CD2-CG2 3.55Å; V198-V202 HydrophobicContact CG1-CG2 4.35Å; V198-V202 WeakPolarHBondContact O-CG2 3.4Å; V198-V202 PolarHBondContact O-N 3.39Å; I199-V202 PolarHBondContact O-N 3.31Å; V202-R204 VanDerWaalsContact C-N 3.34Å; V202-R204 PolarHBondContact O-N 3.37Å; V202-S205 PolarHBondContact O-N 3.31Å; V202-I206 HydrophobicContact CG1-CD1 3.64Å; V202-I206 HydrophobicContact CG1-CG1 4.47Å; V202-I206 WeakPolarHBondContact O-CG1 3.37Å; V202-I206 PolarHBondContact O-N 2.89Å; V202-L213 HydrophobicContact CG1-CD1 3.7Å; V202-L216 HydrophobicContact CB-CD1 4.48Å; V202-L216 HydrophobicContact CG1-CD1 3.98Å; V202-W288 HydrophobicContact CB-CZ3 4.44Å; V202-W288 HydrophobicContact CG1-CH2 3.98Å; V202-W288 HydrophobicContact CG1-CZ3 3.76Å; V202-L307 HydrophobicContact CG2-CD1 4.47Å
203	Q	87	Confident	82.5	Confident	33 Å²	33	55.2 Å²	55.2	15%	0.154	28%	0.276	C	S	.	.	H	α-helix	trans	-60.6	-40.7	176.9	-78.1	177.3	-18.9	0	0	112.7	I199 W201 W207 W288	I199-Q203 HydrophobicContact CG2-CG 4.41Å; I199-Q203 WeakPolarHBondContact O-CB 3.43Å; I199-Q203 VanDerWaalsContact O-CG 3.32Å; I199-Q203 WeakPolarHBondContact O-CG 3.28Å; I199-Q203 PolarHBondContact O-N 3.16Å; W201-Q203 VanDerWaalsContact C-N 3.27Å; W201-Q203 PolarHBondContact O-N 2.97Å; Q203-W207 HydrophobicContact CB-CD2 4.32Å; Q203-W207 HydrophobicContact CB-CE3 3.89Å; Q203-W207 HydrophobicContact CB-CH2 4.02Å; Q203-W207 HydrophobicContact CB-CZ2 4.42Å; Q203-W207 HydrophobicContact CB-CZ3 3.74Å; Q203-W207 HydrophobicContact CG-CH2 3.75Å; Q203-W207 HydrophobicContact CG-CZ2 4.06Å; Q203-W207 HydrophobicContact CG-CZ3 4Å; Q203-W207 VanDerWaalsContact O-CB 3.24Å; Q203-W207 WeakPolarHBondContact O-CB 3.5Å; Q203-W207 PolarHBondContact O-N 3.45Å; Q203-W288 HydrophobicContact CG-CD2 4.07Å; Q203-W288 HydrophobicContact CG-CE3 4.12Å; Q203-W288 HydrophobicContact CG-CH2 4.06Å; Q203-W288 HydrophobicContact CG-CZ2 4.01Å; Q203-W288 HydrophobicContact CG-CZ3 4.11Å
204	R	84.6	Confident	82.8	Confident	139 Å²	139	55.5 Å²	55.5	53%	0.525	28%	0.28	S	S	.	.	H	α-helix	trans	-68.4	-44.3	175.9	-72.6	176.4	-169.9	166.5	-0.3	111.6	N200 W201 V202 I206 W207 E208 N209	N200-R204 WeakPolarHBondContact O-CG 3.26Å; N200-R204 PolarHBondContact O-N 3.3Å; N200-R204 VanDerWaalsContact O-N 3.13Å; W201-R204 WeakPolarHBondContact O-CB 3.49Å; W201-R204 PolarHBondContact O-N 3.22Å; V202-R204 VanDerWaalsContact C-N 3.34Å; V202-R204 PolarHBondContact O-N 3.37Å; R204-I206 VanDerWaalsContact C-N 3.27Å; R204-I206 PolarHBondContact O-N 3.36Å; R204-W207 PolarHBondContact O-N 3.15Å; R204-E208 WeakPolarHBondContact O-CA 3.28Å; R204-E208 WeakPolarHBondContact O-CB 3.18Å; R204-E208 PolarHBondContact O-N 3.22Å; R204-N209 PolarHBondContact O-N 3.37Å
205	S	82.9	Confident	82.7	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.014	30%	0.297	C	S	.	.	I	π-helix	trans	-55.2	-45.7	175.4	-58.4	0	0	0	0	111.1	W201 V202 N209 G210 D211	W201-S205 PolarHBondContact O-N 3.48Å; W201-S205 PolarHBondContact O-OG 2.88Å; V202-S205 PolarHBondContact O-N 3.31Å; S205-N209 CarbonylContact O-C 3.54Å; S205-N209 WeakPolarHBondContact O-CA 3.5Å; S205-N209 VanDerWaalsContact O-CB 3.26Å; S205-N209 WeakPolarHBondContact O-CB 3.5Å; S205-N209 PolarHBondContact O-N 3.25Å; S205-G210 PolarHBondContact O-N 2.87Å; S205-G210 VanDerWaalsContact O-N 3.13Å; S205-D211 WeakPolarHBondContact CB-OD2 3.09Å; S205-D211 PolarHBondContact O-N 2.83Å; S205-D211 VanDerWaalsContact O-N 3.14Å
206	I	83.8	Confident	82.5	Confident	30 Å²	30	58.8 Å²	58.8	15%	0.154	30%	0.298	C	S	.	.	I	π-helix	trans	-72.2	-45.3	180	-63.7	164.1	0	0	0	112.6	V202 R204 G210 D211 L213 L216 W288	V202-I206 HydrophobicContact CG1-CD1 3.64Å; V202-I206 HydrophobicContact CG1-CG1 4.47Å; V202-I206 WeakPolarHBondContact O-CG1 3.37Å; V202-I206 PolarHBondContact O-N 2.89Å; R204-I206 VanDerWaalsContact C-N 3.27Å; R204-I206 PolarHBondContact O-N 3.36Å; I206-G210 WeakPolarHBondContact O-CA 3.47Å; I206-G210 PolarHBondContact O-N 2.81Å; I206-D211 VanDerWaalsContact CA-O 3.3Å; I206-D211 WeakPolarHBondContact CA-O 3.38Å; I206-D211 WeakPolarHBondContact CG1-O 3.5Å; I206-L213 HydrophobicContact CD1-CB 3.94Å; I206-L213 HydrophobicContact CD1-CD1 4.26Å; I206-L216 HydrophobicContact CG1-CD1 4.18Å; I206-W288 HydrophobicContact CD1-CH2 3.78Å
207	W	81.8	Confident	82.4	Confident	160 Å²	160	56.9 Å²	56.9	61%	0.606	29%	0.285	S	S	*	.	I	π-helix	trans	-85.5	-31.8	-172.4	-62.1	-23.9	0	0	0	114.5	Q203 R204	Q203-W207 HydrophobicContact CB-CD2 4.32Å; Q203-W207 HydrophobicContact CB-CE3 3.89Å; Q203-W207 HydrophobicContact CB-CH2 4.02Å; Q203-W207 HydrophobicContact CB-CZ2 4.42Å; Q203-W207 HydrophobicContact CB-CZ3 3.74Å; Q203-W207 HydrophobicContact CG-CH2 3.75Å; Q203-W207 HydrophobicContact CG-CZ2 4.06Å; Q203-W207 HydrophobicContact CG-CZ3 4Å; Q203-W207 VanDerWaalsContact O-CB 3.24Å; Q203-W207 WeakPolarHBondContact O-CB 3.5Å; Q203-W207 PolarHBondContact O-N 3.45Å; R204-W207 PolarHBondContact O-N 3.15Å
208	E	77.6	Confident	81.6	Confident	144 Å²	144	57 Å²	57	67%	0.673	29%	0.286	S	S	*	.	I	π-helix	trans	-100.5	-44.6	-175.7	-57.7	-179.5	177.5	0	0	111.6	R204	R204-E208 WeakPolarHBondContact O-CA 3.28Å; R204-E208 WeakPolarHBondContact O-CB 3.18Å; R204-E208 PolarHBondContact O-N 3.22Å
209	N	71.6	Confident	80.6	Confident	97 Å²	97	63.6 Å²	63.6	52%	0.519	32%	0.317	S	S	.	.	I	π-helix	trans	-87.3	-18.3	-179.3	-54.5	-19.2	0	0	0	112.6	R204 S205 D211	R204-N209 PolarHBondContact O-N 3.37Å; S205-N209 CarbonylContact O-C 3.54Å; S205-N209 WeakPolarHBondContact O-CA 3.5Å; S205-N209 VanDerWaalsContact O-CB 3.26Å; S205-N209 WeakPolarHBondContact O-CB 3.5Å; S205-N209 PolarHBondContact O-N 3.25Å; N209-D211 VanDerWaalsContact C-N 3.29Å; N209-D211 WeakPolarHBondContact CB-OD2 3.34Å
210	G	72.9	Confident	80.1	Confident	63 Å²	63	66.2 Å²	66.2	65%	0.649	33%	0.333	S	S	*	.			trans	77.5	15.9	-177.6	0	0	0	0	0	113.6	S205 I206	S205-G210 PolarHBondContact O-N 2.87Å; S205-G210 VanDerWaalsContact O-N 3.13Å; I206-G210 WeakPolarHBondContact O-CA 3.47Å; I206-G210 PolarHBondContact O-N 2.81Å
211	D	77.8	Confident	79.9	Confident	55 Å²	55	64.6 Å²	64.6	29%	0.294	32%	0.324	S	S	.	.			trans	-65.7	145.3	176.1	-56.3	-35.8	0	0	0	109.7	S205 I206 N209 L216	S205-D211 WeakPolarHBondContact CB-OD2 3.09Å; S205-D211 PolarHBondContact O-N 2.83Å; S205-D211 VanDerWaalsContact O-N 3.14Å; I206-D211 VanDerWaalsContact CA-O 3.3Å; I206-D211 WeakPolarHBondContact CA-O 3.38Å; I206-D211 WeakPolarHBondContact CG1-O 3.5Å; N209-D211 VanDerWaalsContact C-N 3.29Å; N209-D211 WeakPolarHBondContact CB-OD2 3.34Å; D211-L216 HydrophobicContact CB-CD2 4.28Å; D211-L216 HydrophobicContact CB-CG 4.37Å
212	S	83.7	Confident	79.6	Confident	42 Å²	42	66.6 Å²	66.6	29%	0.294	34%	0.337	S	S	.	.			trans	-83.6	152.8	167.3	77	0	0	0	0	110.4	E214 D215 L216	S212-E214 PolarHBondContact O-N 2.78Å; S212-D215 VanDerWaalsContact CB-OD2 3.3Å; S212-D215 WeakPolarHBondContact CB-OD2 3.37Å; S212-D215 PolarHBondContact N-OD2 3.44Å; S212-D215 PolarHBondContact O-N 2.92Å; S212-D215 PolarHBondContact OG-N 2.86Å; S212-D215 VanDerWaalsContact OG-N 3.11Å; S212-D215 PolarHBondContact OG-OD1 2.9Å; S212-D215 PolarHBondContact OG-OD2 2.83Å; S212-L216 PolarHBondContact O-N 3.09Å
213	L	81.8	Confident	79.4	Confident	16 Å²	16	66.6 Å²	66.6	8%	0.084	34%	0.337	C	S	.	.	H	α-helix	trans	-59.7	-29.2	173.4	-178.8	63	0	0	0	111.6	V202 I206 M217 L307 D308 V310	V202-L213 HydrophobicContact CG1-CD1 3.7Å; I206-L213 HydrophobicContact CD1-CB 3.94Å; I206-L213 HydrophobicContact CD1-CD1 4.26Å; L213-M217 HydrophobicContact CD1-CE 4.17Å; L213-M217 HydrophobicContact CG-CE 4.25Å; L213-M217 WeakPolarHBondContact O-CG 3.06Å; L213-M217 PolarHBondContact O-N 2.83Å; L213-L307 HydrophobicContact CD1-CB 4.01Å; L213-L307 HydrophobicContact CD1-CD1 4.06Å; L213-L307 HydrophobicContact CD2-CB 3.7Å; L213-L307 WeakPolarHBondContact CD2-O 3.29Å; L213-D308 HydrophobicContact CD2-CB 4.09Å; L213-V310 HydrophobicContact CD2-CB 4.09Å; L213-V310 HydrophobicContact CD2-CG2 4.13Å
214	E	79.5	Confident	79.1	Confident	147 Å²	147	67.6 Å²	67.6	69%	0.687	34%	0.34	S	S	*	.	H	α-helix	trans	-64.6	-48.2	176.2	-64.2	175.2	-176.9	0	0	110.3	S212 L216 M217 E218	S212-E214 PolarHBondContact O-N 2.78Å; E214-L216 VanDerWaalsContact C-N 3.3Å; E214-L216 PolarHBondContact O-N 2.81Å; E214-M217 PolarHBondContact O-N 2.82Å; E214-E218 PolarHBondContact O-N 2.87Å; E214-E218 VanDerWaalsContact O-N 3.16Å
215	D	78.9	Confident	79.1	Confident	70 Å²	70	61.2 Å²	61.2	37%	0.374	32%	0.316	S	S	.	.	H	α-helix	trans	-57.8	-42.2	177.6	-57	-41.7	0	0	0	111.9	S212 M217 E218	S212-D215 VanDerWaalsContact CB-OD2 3.3Å; S212-D215 WeakPolarHBondContact CB-OD2 3.37Å; S212-D215 PolarHBondContact N-OD2 3.44Å; S212-D215 PolarHBondContact O-N 2.92Å; S212-D215 PolarHBondContact OG-N 2.86Å; S212-D215 VanDerWaalsContact OG-N 3.11Å; S212-D215 PolarHBondContact OG-OD1 2.9Å; S212-D215 PolarHBondContact OG-OD2 2.83Å; D215-M217 PolarHBondContact O-N 3.29Å; D215-E218 PolarHBondContact O-N 2.87Å
216	L	79.7	Confident	78.7	Confident	6 Å²	6	61.6 Å²	61.6	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-64.1	-24.8	178.4	-63.2	174.7	0	0	0	112.8	L176 W201 V202 I206 D211 S212 E214 Q221	L176-L216 HydrophobicContact CD1-CB 4.08Å; L176-L216 VanDerWaalsContact CD1-O 3.23Å; L176-L216 WeakPolarHBondContact CD1-O 3.28Å; W201-L216 HydrophobicContact CH2-CD2 3.83Å; W201-L216 HydrophobicContact CZ2-CD2 4.23Å; V202-L216 HydrophobicContact CB-CD1 4.48Å; V202-L216 HydrophobicContact CG1-CD1 3.98Å; I206-L216 HydrophobicContact CG1-CD1 4.18Å; D211-L216 HydrophobicContact CB-CD2 4.28Å; D211-L216 HydrophobicContact CB-CG 4.37Å; S212-L216 PolarHBondContact O-N 3.09Å; E214-L216 VanDerWaalsContact C-N 3.3Å; E214-L216 PolarHBondContact O-N 2.81Å; L216-Q221 WeakPolarHBondContact O-CG 3.18Å; L216-Q221 PolarHBondContact O-NE2 2.68Å; L216-Q221 VanDerWaalsContact O-NE2 3.15Å
217	M	82.4	Confident	78.1	Confident	28 Å²	28	62.8 Å²	62.8	14%	0.138	33%	0.333	C	S	.	.	H	α-helix	trans	-92.1	-16.6	-179.3	-71.5	-174.2	168.7	0	0	114.2	P174 R175 L176 L213 E214 D215 L307 C312	P174-M217 HydrophobicContact CB-CE 4.34Å; P174-M217 HydrophobicContact CB-SD 3.59Å; P174-M217 VanDerWaalsContact CB-SD 3.59Å; R175-M217 WeakPolarHBondContact O-CB 3.39Å; L176-M217 HydrophobicContact CB-CE 4.13Å; L176-M217 HydrophobicContact CB-CG 4.2Å; L176-M217 HydrophobicContact CD1-CG 4.43Å; L213-M217 HydrophobicContact CD1-CE 4.17Å; L213-M217 HydrophobicContact CG-CE 4.25Å; L213-M217 WeakPolarHBondContact O-CG 3.06Å; L213-M217 PolarHBondContact O-N 2.83Å; E214-M217 PolarHBondContact O-N 2.82Å; D215-M217 PolarHBondContact O-N 3.29Å; M217-L307 HydrophobicContact CE-CD1 4.24Å; M217-C312 HydrophobicContact CE-CB 3.34Å; M217-C312 WeakPolarHBondContact CE-SG 3.36Å; M217-C312 HydrophobicContact SD-CB 4.44Å
218	E	67.6	Low	77.8	Confident	68 Å²	68	59.3 Å²	59.3	32%	0.318	33%	0.326	S	S	.	.	H	α-helix	trans	-67.2	-45.7	177.8	-74	179.5	-170.7	0	0	111.4	E214 D215 R377	E214-E218 PolarHBondContact O-N 2.87Å; E214-E218 VanDerWaalsContact O-N 3.16Å; D215-E218 PolarHBondContact O-N 2.87Å; E218-R377 IonicContact OE1-CZ 3Å; E218-R377 VanDerWaalsContact OE1-CZ 3.23Å; E218-R377 IonicContact OE1-NH1 2.85Å; E218-R377 PolarHBondContact OE1-NH1 2.88Å; E218-R377 IonicContact OE1-NH2 2.68Å; E218-R377 PolarHBondContact OE1-NH2 2.71Å; E218-R377 IonicContact OE2-CZ 3.26Å; E218-R377 IonicContact OE2-NH1 2.75Å; E218-R377 PolarHBondContact OE2-NH1 3.4Å; E218-R377 IonicContact OE2-NH2 3.24Å
219	E	67.6	Low	77.6	Confident	139 Å²	139	57.4 Å²	57.4	65%	0.65	32%	0.317	S	S	*	.	S	Bend	trans	-105.3	161.1	-176.6	-62.9	-162.8	163.9	0	0	113.9	Q221	E219-Q221 PolarHBondContact O-N 3.07Å
220	V	77.4	Confident	77.8	Confident	69 Å²	69	58.3 Å²	58.3	42%	0.418	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	108.9	169.4	179.6	0	0	0	0	108.5	K177 E179 T222	K177-V220 HydrophobicContact CB-CG2 4.09Å; K177-V220 HydrophobicContact CD-CG2 4.15Å; E179-V220 HydrophobicContact CB-CG1 4.1Å; E179-V220 HydrophobicContact CG-CG1 3.62Å; V220-T222 PolarHBondContact O-N 3.48Å
221	Q	82.7	Confident	78.2	Confident	36 Å²	36	56 Å²	56	17%	0.168	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	121.4	-176.7	-53.1	-65.9	-29.3	0	0	109.3	L176 K177 L178 E179 W201 L216 E219	L176-Q221 HydrophobicContact CD1-CG 4.3Å; K177-Q221 PolarHBondContact O-N 3.26Å; L178-Q221 CarbonylContact C-O 3.59Å; L178-Q221 WeakPolarHBondContact CA-O 3.23Å; L178-Q221 HydrophobicContact CD2-CB 3.6Å; L178-Q221 HydrophobicContact CD2-CG 4.19Å; E179-Q221 PolarHBondContact N-O 3.14Å; W201-Q221 HydrophobicContact CH2-CB 3.81Å; W201-Q221 HydrophobicContact CH2-CG 3.73Å; W201-Q221 HydrophobicContact CZ2-CB 4.29Å; W201-Q221 HydrophobicContact CZ2-CG 4.49Å; L216-Q221 WeakPolarHBondContact O-CG 3.18Å; L216-Q221 PolarHBondContact O-NE2 2.68Å; L216-Q221 VanDerWaalsContact O-NE2 3.15Å; E219-Q221 PolarHBondContact O-N 3.07Å
222	T	82.4	Confident	78.1	Confident	54 Å²	54	57.3 Å²	57.3	33%	0.331	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	117.5	-179.6	-60.2	0	0	0	0	109.4	E179 M181 V220 G234	E179-T222 CarbonylContact O-C 3.58Å; E179-T222 WeakPolarHBondContact O-CA 3.25Å; M181-T222 HydrophobicContact CE-CG2 3.65Å; M181-T222 HydrophobicContact CG-CG2 4.38Å; M181-T222 HydrophobicContact SD-CG2 4.33Å; V220-T222 PolarHBondContact O-N 3.48Å; T222-G234 WeakPolarHBondContact O-CA 3.28Å; T222-G234 PolarHBondContact O-N 3.26Å
223	L	84.7	Confident	77.4	Confident	1 Å²	1	58 Å²	58	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.8	-178.2	-56.4	177.3	0	0	0	110.3	L178 E179 V180 M181 W201 L231 L232	L178-L223 HydrophobicContact CD1-CD1 4.39Å; L178-L223 HydrophobicContact CD2-CD1 4.06Å; E179-L223 PolarHBondContact O-N 2.82Å; V180-L223 CarbonylContact C-O 3.57Å; V180-L223 VanDerWaalsContact CA-O 3.29Å; V180-L223 WeakPolarHBondContact CA-O 3.28Å; V180-L223 HydrophobicContact CG2-CB 4.45Å; M181-L223 PolarHBondContact N-O 3.45Å; W201-L223 HydrophobicContact CD2-CD1 3.89Å; W201-L223 HydrophobicContact CD2-CD2 4.18Å; W201-L223 HydrophobicContact CE3-CD1 4.08Å; W201-L223 HydrophobicContact CG-CD1 4.29Å; W201-L223 HydrophobicContact CZ2-CD1 4.45Å; W201-L223 HydrophobicContact CZ2-CD2 3.81Å; W201-L223 HydrophobicContact CZ3-CD1 4.48Å; L223-L231 HydrophobicContact CB-CD1 3.75Å; L223-L231 HydrophobicContact CB-CG 4.05Å; L223-L231 HydrophobicContact CD1-CD1 4.09Å; L223-L231 HydrophobicContact CD1-CD2 3.6Å; L223-L231 HydrophobicContact CD1-CG 3.78Å; L223-L231 HydrophobicContact CG-CG 4.46Å; L223-L232 CarbonylContact C-O 3.58Å; L223-L232 VanDerWaalsContact CA-O 3.26Å; L223-L232 WeakPolarHBondContact CA-O 3.28Å
224	Y	80.6	Confident	76.1	Confident	54 Å²	54	57.9 Å²	57.9	21%	0.212	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.3	173	-175.2	-101.8	0	0	0	110.1	M181 E183 L231 L232	M181-Y224 HydrophobicContact CB-CD2 4.03Å; E183-Y224 VanDerWaalsContact CB-OH 3.27Å; E183-Y224 WeakPolarHBondContact CB-OH 3.37Å; E183-Y224 WeakPolarHBondContact CG-OH 3.36Å; E183-Y224 PolarHBondContact OE2-OH 3.04Å; E183-Y224 VanDerWaalsContact OE2-OH 3.09Å; Y224-L231 WeakPolarHBondContact O-CA 3.39Å; Y224-L232 PolarHBondContact N-O 2.89Å; Y224-L232 PolarHBondContact O-N 2.98Å
225	Y	83.1	Confident	74.6	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.016	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	106.3	173.9	-169.9	-103.3	0	0	0	110.2	V180 M181 L182 E183 V186 L188 K197 H229 K230 L231	V180-Y225 VanDerWaalsContact CG1-CB 3.49Å; V180-Y225 HydrophobicContact CG1-CG 4.46Å; M181-Y225 PolarHBondContact O-N 3Å; L182-Y225 HydrophobicContact CD2-CD1 3.83Å; L182-Y225 HydrophobicContact CD2-CG 4.31Å; E183-Y225 PolarHBondContact N-O 3.37Å; V186-Y225 HydrophobicContact CG1-CD1 3.64Å; V186-Y225 HydrophobicContact CG1-CE1 3.56Å; L188-Y225 HydrophobicContact CD2-CG 4.44Å; K197-Y225 HydrophobicContact CD-CE2 4.25Å; Y225-H229 AromaticContact CE1-ND1 3.85Å; Y225-H229 AromaticContact CZ-ND1 3.78Å; Y225-H229 WeakPolarHBondContact OH-CB 3.15Å; Y225-H229 PolarHBondContact OH-ND1 3.03Å; Y225-H229 VanDerWaalsContact OH-ND1 3.1Å; Y225-K230 WeakPolarHBondContact CA-O 3.36Å; Y225-K230 WeakPolarHBondContact CD2-O 3.2Å; Y225-L231 HydrophobicContact CD2-CD1 4.19Å
226	S	75.8	Confident	73	Confident	10 Å²	10	61.3 Å²	61.3	7%	0.07	32%	0.321	C	S	.	.			trans	-81.3	161.2	-173.4	51	0	0	0	0	113.2	D228 H229 K230	S226-D228 VanDerWaalsContact CB-OD1 3.24Å; S226-D228 WeakPolarHBondContact CB-OD1 3.24Å; S226-D228 PolarHBondContact O-N 3.42Å; S226-D228 VanDerWaalsContact O-N 3.17Å; S226-D228 PolarHBondContact OG-OD1 3.08Å; S226-H229 WeakPolarHBondContact O-CA 3.49Å; S226-H229 PolarHBondContact O-N 2.99Å; S226-K230 PolarHBondContact N-O 3.27Å; S226-K230 VanDerWaalsContact N-O 3.14Å; S226-K230 WeakPolarHBondContact OG-CB 3.5Å; S226-K230 PolarHBondContact OG-N 3.12Å; S226-K230 PolarHBondContact OG-O 3.42Å
227	A	70.6	Confident	71.5	Confident	55 Å²	55	66.6 Å²	66.6	46%	0.455	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.9	175.2	0	0	0	0	0	114.1	E183 V186 H229	E183-A227 WeakPolarHBondContact OE2-CB 3.44Å; E183-A227 PolarHBondContact OE2-N 3.3Å; V186-A227 HydrophobicContact CG2-CB 4.35Å; A227-H229 PolarHBondContact O-N 2.88Å
228	D	75	Confident	69.2	Low	88 Å²	88	73.4 Å²	73.4	47%	0.471	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	13.1	172	76.2	-22	0	0	0	113.6	S226 K230	S226-D228 VanDerWaalsContact CB-OD1 3.24Å; S226-D228 WeakPolarHBondContact CB-OD1 3.24Å; S226-D228 PolarHBondContact O-N 3.42Å; S226-D228 VanDerWaalsContact O-N 3.17Å; S226-D228 PolarHBondContact OG-OD1 3.08Å; D228-K230 VanDerWaalsContact C-N 3.33Å; D228-K230 PolarHBondContact O-N 3.41Å; D228-K230 WeakPolarHBondContact OD2-CD 3.49Å; D228-K230 WeakPolarHBondContact OD2-CE 3.22Å; D228-K230 IonicContact OD2-NZ 2.75Å; D228-K230 PolarHBondContact OD2-NZ 3.43Å
229	H	73.2	Confident	67.5	Low	103 Å²	103	73.1 Å²	73.1	48%	0.477	40%	0.401	S	S	.	.	S	Bend	trans	62.9	28.9	178.1	-56.4	-61.4	0	0	0	114.6	K197 Y225 S226 A227	K197-H229 WeakPolarHBondContact CE-O 3.39Å; K197-H229 PolarHBondContact NZ-O 2.86Å; Y225-H229 AromaticContact CE1-ND1 3.85Å; Y225-H229 AromaticContact CZ-ND1 3.78Å; Y225-H229 WeakPolarHBondContact OH-CB 3.15Å; Y225-H229 PolarHBondContact OH-ND1 3.03Å; Y225-H229 VanDerWaalsContact OH-ND1 3.1Å; S226-H229 WeakPolarHBondContact O-CA 3.49Å; S226-H229 PolarHBondContact O-N 2.99Å; A227-H229 PolarHBondContact O-N 2.88Å
230	K	77.1	Confident	65.7	Low	117 Å²	117	75.8 Å²	75.8	51%	0.509	41%	0.414	S	S	.	.			trans	-94.4	156.1	172.8	-65.9	179.5	-174	142.6	0	111	Y225 S226 D228	Y225-K230 WeakPolarHBondContact CA-O 3.36Å; Y225-K230 WeakPolarHBondContact CD2-O 3.2Å; S226-K230 PolarHBondContact N-O 3.27Å; S226-K230 VanDerWaalsContact N-O 3.14Å; S226-K230 WeakPolarHBondContact OG-CB 3.5Å; S226-K230 PolarHBondContact OG-N 3.12Å; S226-K230 PolarHBondContact OG-O 3.42Å; D228-K230 VanDerWaalsContact C-N 3.33Å; D228-K230 PolarHBondContact O-N 3.41Å; D228-K230 WeakPolarHBondContact OD2-CD 3.49Å; D228-K230 WeakPolarHBondContact OD2-CE 3.22Å; D228-K230 IonicContact OD2-NZ 2.75Å; D228-K230 PolarHBondContact OD2-NZ 3.43Å
231	L	80.1	Confident	63.3	Low	15 Å²	15	77.2 Å²	77.2	8%	0.079	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.8	175.5	-165.8	69.3	0	0	0	106.6	V180 K197 V198 W201 L223 Y224 Y225	V180-L231 HydrophobicContact CG1-CD1 4.06Å; V180-L231 HydrophobicContact CG2-CD1 4.37Å; K197-L231 HydrophobicContact CB-CB 4.45Å; K197-L231 HydrophobicContact CB-CD2 4.42Å; V198-L231 HydrophobicContact CG2-CD2 4Å; W201-L231 HydrophobicContact CB-CD2 4.28Å; L223-L231 HydrophobicContact CB-CD1 3.75Å; L223-L231 HydrophobicContact CB-CG 4.05Å; L223-L231 HydrophobicContact CD1-CD1 4.09Å; L223-L231 HydrophobicContact CD1-CD2 3.6Å; L223-L231 HydrophobicContact CD1-CG 3.78Å; L223-L231 HydrophobicContact CG-CG 4.46Å; Y224-L231 WeakPolarHBondContact O-CA 3.39Å; Y225-L231 HydrophobicContact CD2-CD1 4.19Å
232	L	76.1	Confident	60.7	Low	82 Å²	82	84.1 Å²	84.1	43%	0.429	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	153.9	-172.2	-61.3	172.3	0	0	0	110.3	L223 Y224	L223-L232 CarbonylContact C-O 3.58Å; L223-L232 VanDerWaalsContact CA-O 3.26Å; L223-L232 WeakPolarHBondContact CA-O 3.28Å; Y224-L232 PolarHBondContact N-O 2.89Å; Y224-L232 PolarHBondContact O-N 2.98Å
233	D	70.1	Confident	58	Low	55 Å²	55	88.4 Å²	88.4	29%	0.294	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	134	177.2	-68.7	-48.5	0	0	0	112.3	W201 N235 L236	W201-D233 PolarHBondContact NE1-OD1 3.17Å; D233-N235 PolarHBondContact O-N 3.24Å; D233-L236 HydrophobicContact CB-CD1 4.37Å; D233-L236 PolarHBondContact O-N 2.62Å
234	G	54.8	Low	55.4	Low	14 Å²	14	99.9 Å²	99.9	14%	0.144	54%	0.536	C	S	.	.	G	3₁₀ helix	trans	-67.3	-22.1	177.6	0	0	0	0	0	114.1	T222 L236 L237	T222-G234 WeakPolarHBondContact O-CA 3.28Å; T222-G234 PolarHBondContact O-N 3.26Å; G234-L236 PolarHBondContact O-N 2.97Å; G234-L237 PolarHBondContact O-N 3.47Å
235	N	48	Very low	52.8	Low	156 Å²	156	100.8 Å²	100.8	83%	0.834	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-72.6	-6.1	-179.4	-71.1	-8.5	0	0	0	114	D233	D233-N235 PolarHBondContact O-N 3.24Å
236	L	45.1	Very low	50.1	Low	134 Å²	134	105.5 Å²	105.5	70%	0.702	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-90.3	0.5	178.1	-77.5	163.1	0	0	0	114	D233 G234	D233-L236 HydrophobicContact CB-CD1 4.37Å; D233-L236 PolarHBondContact O-N 2.62Å; G234-L236 PolarHBondContact O-N 2.97Å
237	L	46.5	Very low	47.8	Very low	116 Å²	116	112.1 Å²	112.1	61%	0.607	63%	0.629	S	S	*	*	S	Bend	trans	-90.5	-17.9	-178.5	-70.2	166.5	0	0	0	113.9	M181 G234 G239	M181-L237 HydrophobicContact CE-CD1 4.27Å; G234-L237 PolarHBondContact O-N 3.47Å; L237-G239 PolarHBondContact O-N 3.11Å
238	D	34	Very low	45.8	Very low	171 Å²	171	116.2 Å²	116.2	91%	0.914	64%	0.644	S	S	*	*	S	Bend	trans	-98.4	71.7	176.2	-109.3	-0.2	0	0	0	110.5
239	G	33.7	Very low	43.4	Very low	62 Å²	62	119.1 Å²	119.1	64%	0.639	66%	0.659	S	S	*	*	S	Bend	trans	154	36.1	171.4	0	0	0	0	0	118.4	L237	L237-G239 PolarHBondContact O-N 3.11Å
240	Q	28.7	Very low	41.2	Very low	196 Å²	196	122.1 Å²	122.1	92%	0.916	67%	0.673	S	S	*	*			trans	-164.4	80.8	156	-108.9	160.6	52.7	0	0	111.1
241	A	26.9	Very low	38.8	Very low	98 Å²	98	124.9 Å²	124.9	81%	0.81	69%	0.692	S	S	*	*			trans	-92.9	119.1	155.1	0	0	0	0	0	108.5
242	E	29.3	Very low	36.2	Very low	182 Å²	182	132.5 Å²	132.5	85%	0.85	73%	0.727	S	S	*	*			trans	76.3	109.6	159.8	-55.4	-170.4	171.2	0	0	119.6
243	V	25.5	Very low	33.6	Very low	144 Å²	144	138.6 Å²	138.6	87%	0.873	75%	0.75	S	S	*	*				-147.5	118	106	178.8	0	0	0	0	109.2
244	Y	29.2	Very low	31.4	Very low	242 Å²	242	142 Å²	142	95%	0.949	77%	0.773	S	S	*	*			trans	-74.3	130.1	158.4	-103.8	-90.6	0	0	0	108.9
245	G	25.9	Very low	30	Very low	73 Å²	73	150.3 Å²	150.3	75%	0.753	81%	0.808	S	S	*	*			trans	-172	127.1	171	0	0	0	0	0	111.5
246	S	27.3	Very low	28.9	Very low	102 Å²	102	152.5 Å²	152.5	71%	0.713	81%	0.81	S	S	*	*			trans	-70.6	158.7	-165.1	56	0	0	0	0	117.3
247	D	27.7	Very low	27.8	Very low	149 Å²	149	155.3 Å²	155.3	80%	0.797	82%	0.816	S	S	*	*			trans	79.3	122.4	147.2	-61.5	-18.4	0	0	0	121.2
248	D	28.5	Very low	26.8	Very low	142 Å²	142	155.3 Å²	155.3	76%	0.759	82%	0.824	S	S	*	*			trans	34.6	118.2	149.5	-83.3	-21.1	0	0	0	119.6
249	D	24.8	Very low	26.4	Very low	148 Å²	148	153.2 Å²	153.2	79%	0.791	82%	0.819	S	S	*	*				-169.6	141.4	103	-102.4	-31.3	0	0	0	113.4
250	H	26.4	Very low	26.1	Very low	167 Å²	167	161.6 Å²	161.6	77%	0.773	83%	0.832	S	S	*	*			trans	-46.1	134.7	178.5	-64.9	-80.7	0	0	0	116.1
251	I	26.4	Very low	25.9	Very low	175 Å²	175	161.6 Å²	161.6	90%	0.897	83%	0.831	S	S	*	*			trans	-144.6	131.4	137.6	-57.3	-172.5	0	0	0	111.8
252	Q	24.4	Very low	25.9	Very low	175 Å²	175	163.9 Å²	163.9	82%	0.818	83%	0.83	S	S	*	*			trans	-69.3	148.3	-175.7	-69.3	172.2	-21.7	0	0	114.7
253	F	22.2	Very low	25.7	Very low	210 Å²	210	163 Å²	163	92%	0.921	83%	0.831	S	S	*	*			trans	-57.3	128.7	166.4	-80.3	-96.7	0	0	0	112.6
254	V	24.6	Very low	25.8	Very low	127 Å²	127	164.5 Å²	164.5	77%	0.77	83%	0.828	S	S	*	*			trans	-123.1	105.2	161.4	178.5	0	0	0	0	109.2	K256	V254-K256 PolarHBondContact O-N 3.22Å
255	Q	25	Very low	25.7	Very low	187 Å²	187	162.7 Å²	162.7	87%	0.874	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-66.1	119.4	164.5	-73.6	176.4	-20.3	0	0	109.5
256	K	24.3	Very low	25.6	Very low	202 Å²	202	167.7 Å²	167.7	88%	0.878	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-93.3	120.8	164.2	-95.4	-178.2	176	175.4	0	109.9	V254	V254-K256 PolarHBondContact O-N 3.22Å
257	K	22.9	Very low	25.5	Very low	193 Å²	193	170.4 Å²	170.4	84%	0.839	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-65.3	152	172.5	-77.6	174.3	173.6	173.1	0	111.6
258	P	25.1	Very low	25.5	Very low	117 Å²	117	168.6 Å²	168.6	76%	0.76	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-72	156	174.4	30.4	-33.1	0	0	0	111.9
259	P	26.4	Very low	25.3	Very low	127 Å²	127	167.8 Å²	167.8	83%	0.825	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-78.2	149.3	-174.1	30.8	-30.9	0	0	0	112.5
260	R	26.3	Very low	25.3	Very low	238 Å²	238	165.9 Å²	165.9	90%	0.898	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-81.9	138.8	179.8	-72.6	174.7	170.4	167.8	-5.3	111.4
261	E	25.6	Very low	25.4	Very low	195 Å²	195	163.2 Å²	163.2	91%	0.911	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-67.1	137.2	164.7	-72.1	176.1	146.1	0	0	110.7
262	N	25.8	Very low	25.5	Very low	146 Å²	146	160.6 Å²	160.6	78%	0.781	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-101.8	117.1	175.4	-101.8	-7.8	0	0	0	110
263	D	25.6	Very low	25.7	Very low	164 Å²	164	155.8 Å²	155.8	88%	0.877	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-68.2	125.6	164.7	-82.9	-45.2	0	0	0	111.1
264	H	27.9	Very low	25.9	Very low	175 Å²	175	151.1 Å²	151.1	81%	0.81	83%	0.825	S	S	*	*			trans	-127.8	115.3	159.2	-86.9	-56	0	0	0	111.4
265	K	26.4	Very low	26.2	Very low	205 Å²	205	153.9 Å²	153.9	89%	0.891	83%	0.834	S	S	*	*			trans	-72.4	139.4	164	-77.7	177.4	173.3	175.3	0	110.9
266	Q	24.8	Very low	26.6	Very low	178 Å²	178	149.4 Å²	149.4	83%	0.832	82%	0.824	S	S	*	*			trans	-160.6	112.9	140.8	-106.2	178.6	5.4	0	0	109.9
267	I	25.1	Very low	27.2	Very low	159 Å²	159	145.2 Å²	145.2	82%	0.815	82%	0.817	S	S	*	*				70.4	122.4	105.9	-57.7	175.6	0	0	0	115.2
268	S	26.4	Very low	27.4	Very low	111 Å²	111	143.3 Å²	143.3	78%	0.776	82%	0.816	S	S	*	*			trans	-69.4	144.7	-179.7	53.7	0	0	0	0	115.9
269	S	24.4	Very low	27.7	Very low	125 Å²	125	142 Å²	142	87%	0.874	82%	0.815	S	S	*	*			trans	-159.4	151.9	137.6	61	0	0	0	0	111.7
270	S	26.2	Very low	27.8	Very low	108 Å²	108	141.8 Å²	141.8	76%	0.755	81%	0.812	S	S	*	*			trans	-73.2	144.5	-163.5	49.6	0	0	0	0	117.1
271	S	27.4	Very low	28.1	Very low	111 Å²	111	137 Å²	137	78%	0.776	81%	0.809	S	S	*	*				162.4	128.3	111	50.6	0	0	0	0	114.6
272	S	28.6	Very low	28.5	Very low	119 Å²	119	135 Å²	135	83%	0.832	80%	0.8	S	S	*	*			trans	48.6	116.7	147.1	53.4	0	0	0	0	122.6
273	G	28.1	Very low	28.8	Very low	75 Å²	75	132.7 Å²	132.7	77%	0.773	79%	0.794	S	S	*	*			trans	137.9	113.2	139	0	0	0	0	0	116.6
274	S	27.9	Very low	29.6	Very low	111 Å²	111	130 Å²	130	78%	0.776	79%	0.786	S	S	*	*			trans	74.6	97.6	162.4	174.7	0	0	0	0	118.2	S276	S274-S276 PolarHBondContact O-N 3.26Å
275	L	30.8	Very low	30.9	Very low	185 Å²	185	129.7 Å²	129.7	97%	0.969	78%	0.782	S	S	*	*			trans	-85.5	103.8	169	-73.1	162.8	0	0	0	110.4
276	S	32.1	Very low	33	Very low	93 Å²	93	125.6 Å²	125.6	65%	0.65	77%	0.766	S	S	*	*			trans	-109.5	131.1	155	-60.5	0	0	0	0	106.9	S274 N278	S274-S276 PolarHBondContact O-N 3.26Å; S276-N278 PolarHBondContact O-N 3.18Å; S276-N278 VanDerWaalsContact O-N 3.16Å
277	P	36.5	Very low	35.8	Very low	114 Å²	114	120.8 Å²	120.8	74%	0.74	74%	0.744	S	S	*	*			trans	-71.6	116.5	178.9	20.7	-18.6	0	0	0	109.1	A279	P277-A279 PolarHBondContact O-N 3.23Å; P277-A279 VanDerWaalsContact O-N 3.15Å
278	N	28.4	Very low	38.8	Very low	154 Å²	154	115.7 Å²	115.7	82%	0.824	71%	0.714	S	S	*	*			trans	-45.6	117.2	172.6	-77	-25.8	0	0	0	110.6	S276 T280	S276-N278 PolarHBondContact O-N 3.18Å; S276-N278 VanDerWaalsContact O-N 3.16Å; N278-T280 PolarHBondContact O-N 3.3Å
279	A	30.9	Very low	41.8	Very low	89 Å²	89	113.9 Å²	113.9	74%	0.736	69%	0.692	S	S	*	*			trans	-60.5	107.1	152.9	0	0	0	0	0	106.4	P277 V281	P277-A279 PolarHBondContact O-N 3.23Å; P277-A279 VanDerWaalsContact O-N 3.15Å; A279-V281 VanDerWaalsContact C-N 3.31Å; A279-V281 PolarHBondContact O-N 2.68Å
280	T	28.5	Very low	44.9	Very low	123 Å²	123	110.5 Å²	110.5	76%	0.755	66%	0.664	S	S	*	*			trans	-59.6	101.5	162.7	17.9	0	0	0	0	106.7	N278 Q282	N278-T280 PolarHBondContact O-N 3.3Å; T280-Q282 VanDerWaalsContact C-N 3.26Å; T280-Q282 PolarHBondContact O-N 2.85Å
281	V	32.9	Very low	48.1	Very low	137 Å²	137	105.8 Å²	105.8	83%	0.83	63%	0.63	S	S	*	*			trans	-58.7	97.5	164.4	177.6	0	0	0	0	105.6	A279 S283	A279-V281 VanDerWaalsContact C-N 3.31Å; A279-V281 PolarHBondContact O-N 2.68Å; V281-S283 PolarHBondContact O-N 2.77Å
282	Q	34.3	Very low	51.1	Low	154 Å²	154	100.6 Å²	100.6	72%	0.72	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-65	125.3	168.5	-74.5	-179.2	-2.6	0	0	106.3	T280	T280-Q282 VanDerWaalsContact C-N 3.26Å; T280-Q282 PolarHBondContact O-N 2.85Å
283	S	32.2	Very low	54	Low	96 Å²	96	97.2 Å²	97.2	67%	0.671	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-52.2	143	167.2	44.9	0	0	0	0	109.5	V281 K285	V281-S283 PolarHBondContact O-N 2.77Å; S283-K285 PolarHBondContact O-N 2.89Å; S283-K285 VanDerWaalsContact O-N 3.09Å
284	P	42	Very low	56.8	Low	108 Å²	108	97.4 Å²	97.4	70%	0.701	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-57.8	122.5	177	22.8	-30.4	0	0	0	108.2	H286	P284-H286 PolarHBondContact O-N 2.93Å
285	K	55.6	Low	59.4	Low	168 Å²	168	96.4 Å²	96.4	73%	0.73	53%	0.533	S	S	*	.			trans	-71.2	114.7	172.1	-76.8	-179.5	178	175.4	0	106.9	S283 E287	S283-K285 PolarHBondContact O-N 2.89Å; S283-K285 VanDerWaalsContact O-N 3.09Å; K285-E287 PolarHBondContact O-N 3.25Å
286	H	69.5	Low	61.7	Low	119 Å²	119	90.9 Å²	90.9	55%	0.551	51%	0.507	S	S	*	.			trans	-63.1	75.6	167.8	-61.4	-78.8	0	0	0	109.5	P284 D308	P284-H286 PolarHBondContact O-N 2.93Å; H286-D308 WeakPolarHBondContact CB-OD1 3.49Å; H286-D308 IonicContact CE1-OD1 2.61Å; H286-D308 IonicContact CE1-OD2 2.76Å; H286-D308 IonicContact CG-OD1 2.97Å; H286-D308 IonicContact ND1-OD1 2.77Å; H286-D308 PolarHBondContact ND1-OD1 3.33Å; H286-D308 IonicContact ND1-OD2 2.62Å; H286-D308 PolarHBondContact ND1-OD2 3.49Å
287	E	83.3	Confident	63.8	Low	77 Å²	77	89 Å²	89	36%	0.36	49%	0.493	S	S	.	.			trans	-85.1	128.1	-179.3	-173.6	177.5	-175.6	0	0	109.9	K285 V306 D308 G309	K285-E287 PolarHBondContact O-N 3.25Å; E287-V306 HydrophobicContact CB-CG1 4.24Å; E287-V306 HydrophobicContact CG-CG1 4.38Å; E287-V306 WeakPolarHBondContact O-CG1 3.09Å; E287-D308 PolarHBondContact O-N 3.1Å; E287-G309 PolarHBondContact O-N 3.17Å
288	W	88.7	Confident	65.4	Low	52 Å²	52	87.7 Å²	87.7	20%	0.197	49%	0.487	C	S	.	.			trans	-123.2	112.2	178.6	-59.9	88.1	0	0	0	108.8	I199 V202 Q203 I206 V306 L307 D308	I199-W288 HydrophobicContact CG2-CB 4.38Å; I199-W288 HydrophobicContact CG2-CE3 3.93Å; V202-W288 HydrophobicContact CB-CZ3 4.44Å; V202-W288 HydrophobicContact CG1-CH2 3.98Å; V202-W288 HydrophobicContact CG1-CZ3 3.76Å; Q203-W288 HydrophobicContact CG-CD2 4.07Å; Q203-W288 HydrophobicContact CG-CE3 4.12Å; Q203-W288 HydrophobicContact CG-CH2 4.06Å; Q203-W288 HydrophobicContact CG-CZ2 4.01Å; Q203-W288 HydrophobicContact CG-CZ3 4.11Å; I206-W288 HydrophobicContact CD1-CH2 3.78Å; W288-V306 WeakPolarHBondContact CA-O 3.3Å; W288-L307 HydrophobicContact CE3-CB 4.23Å; W288-L307 HydrophobicContact CE3-CD2 3.83Å; W288-L307 HydrophobicContact CZ3-CB 3.82Å; W288-L307 HydrophobicContact CZ3-CD2 3.88Å; W288-L307 HydrophobicContact CZ3-CG 4.42Å; W288-D308 HydrophobicContact CH2-CB 3.7Å; W288-D308 HydrophobicContact CZ2-CB 3.58Å; W288-D308 WeakPolarHBondContact CZ2-OD1 3.5Å; W288-D308 HydrophobicContact CZ3-CB 4.49Å
289	K	89.7	Confident	67.7	Low	74 Å²	74	83.3 Å²	83.3	32%	0.322	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	132.9	-172.5	-171.3	-179.5	-179.7	-171.7	0	112.7	D154 A305 V306	D154-K289 IonicContact OD2-NZ 3.11Å; D154-K289 PolarHBondContact OD2-NZ 3.33Å; K289-A305 CarbonylContact O-C 3.53Å; K289-A305 WeakPolarHBondContact O-CA 3.48Å; K289-A305 WeakPolarHBondContact O-CB 3.49Å; K289-V306 HydrophobicContact CB-CB 4.33Å; K289-V306 PolarHBondContact N-O 2.96Å; K289-V306 PolarHBondContact O-N 2.82Å
290	I	90.3	Very high	70.1	Confident	54 Å²	54	79.9 Å²	79.9	28%	0.277	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	126.7	165.6	-61	163.9	0	0	0	107.9	I199	I199-I290 HydrophobicContact CD1-CD1 4.02Å; I199-I290 HydrophobicContact CD1-CG1 3.57Å
291	I	91.4	Very high	72.8	Confident	8 Å²	8	74.5 Å²	74.5	4%	0.041	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-53.3	178.7	-61.5	152.8	0	0	0	109.5	R138 D154 I157 L304 V306 L311	R138-I291 VanDerWaalsContact NE-CD1 3.34Å; D154-I291 HydrophobicContact CB-CG2 4.05Å; I157-I291 HydrophobicContact CB-CG2 4.28Å; I157-I291 HydrophobicContact CG2-CG2 4.04Å; I291-L304 HydrophobicContact CB-CD2 4.35Å; I291-L304 HydrophobicContact CB-CG 4.44Å; I291-L304 WeakPolarHBondContact CB-O 3.48Å; I291-L304 HydrophobicContact CD1-CD2 4.04Å; I291-L304 HydrophobicContact CD1-CG 3.92Å; I291-L304 HydrophobicContact CG2-CD2 4.17Å; I291-L304 PolarHBondContact N-O 2.95Å; I291-V306 HydrophobicContact CD1-CG2 3.95Å; I291-L311 HydrophobicContact CD1-CD1 3.3Å
292	A	91.3	Very high	75.5	Confident	3 Å²	3	68.6 Å²	68.6	3%	0.025	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	147.7	-176	0	0	0	0	0	109.7	I157 Q158 L161 C303 L304	I157-A292 HydrophobicContact CG2-CB 4.18Å; Q158-A292 HydrophobicContact CB-CB 4.21Å; Q158-A292 HydrophobicContact CG-CB 4.43Å; L161-A292 HydrophobicContact CB-CB 4.17Å; L161-A292 HydrophobicContact CD1-CB 4.08Å; L161-A292 HydrophobicContact CD2-CB 3.72Å; L161-A292 HydrophobicContact CG-CB 4.2Å; A292-C303 CarbonylContact O-C 3.55Å; A292-C303 WeakPolarHBondContact O-CA 3.18Å; A292-L304 PolarHBondContact N-O 3.27Å; A292-L304 PolarHBondContact O-N 3.43Å
293	S	90.3	Very high	78.2	Confident	47 Å²	47	61.3 Å²	61.3	33%	0.329	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	140.8	176.7	65.1	0	0	0	0	111.4	Y195 L302	Y195-S293 VanDerWaalsContact CE2-CB 3.43Å; S293-L302 CarbonylContact C-O 3.59Å; S293-L302 VanDerWaalsContact CA-O 3.28Å; S293-L302 WeakPolarHBondContact CA-O 3.36Å
294	E	85.3	Confident	81.1	Confident	80 Å²	80	56.7 Å²	56.7	37%	0.374	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	147.8	-178.9	-164.2	65.3	-134.9	0	0	110.9	L161 L162 L302	L161-E294 HydrophobicContact CD2-CB 3.96Å; L162-E294 HydrophobicContact CD1-CG 4.17Å; L162-E294 HydrophobicContact CD2-CB 4.4Å; L162-E294 HydrophobicContact CD2-CG 3.67Å; L162-E294 HydrophobicContact CG-CG 3.82Å; E294-L302 PolarHBondContact N-O 3.31Å; E294-L302 PolarHBondContact O-N 2.87Å
295	K	83.8	Confident	83.6	Confident	90 Å²	90	51.6 Å²	51.6	39%	0.391	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	111.7	170.3	-179.3	173.3	180	160	0	108.7	S297 S298 Y301	K295-S297 WeakPolarHBondContact CE-O 3.49Å; K295-S297 WeakPolarHBondContact CG-O 3.47Å; K295-S298 WeakPolarHBondContact CE-O 3.47Å; K295-S298 PolarHBondContact NZ-O 3.25Å; K295-Y301 HydrophobicContact CB-CD1 4.16Å; K295-Y301 HydrophobicContact CB-CE1 4.22Å; K295-Y301 HydrophobicContact CD-CD1 4.45Å; K295-Y301 HydrophobicContact CD-CE1 3.73Å; K295-Y301 HydrophobicContact CG-CD1 4.13Å; K295-Y301 HydrophobicContact CG-CE1 3.92Å; K295-Y301 PolarHBondContact NZ-OH 3.17Å
296	T	77.8	Confident	85.3	Confident	68 Å²	68	43.8 Å²	43.8	42%	0.417	23%	0.23	S	C	.	.			trans	-87.3	-29.9	-173.7	56.1	0	0	0	0	113.3	L162 T300 L302	L162-T296 HydrophobicContact CD2-CG2 4.43Å; T296-T300 PolarHBondContact N-O 2.86Å; T296-T300 WeakPolarHBondContact OG1-CB 3.43Å; T296-T300 WeakPolarHBondContact OG1-CG2 3.45Å; T296-T300 PolarHBondContact OG1-O 3Å; T296-L302 HydrophobicContact CG2-CB 4Å
297	S	76.9	Confident	86.4	Confident	53 Å²	53	38.1 Å²	38.1	37%	0.371	20%	0.204	S	C	.	.	S	Bend	trans	-146.4	-176.8	175.5	75.6	0	0	0	0	111.1	K295 N299 T300	K295-S297 WeakPolarHBondContact CE-O 3.49Å; K295-S297 WeakPolarHBondContact CG-O 3.47Å; S297-N299 PolarHBondContact O-N 3.14Å; S297-N299 VanDerWaalsContact O-N 3.14Å; S297-T300 PolarHBondContact N-O 3.39Å; S297-T300 WeakPolarHBondContact OG-CB 3.41Å; S297-T300 PolarHBondContact OG-N 2.82Å; S297-T300 VanDerWaalsContact OG-N 3.17Å; S297-T300 PolarHBondContact OG-OG1 3.19Å
298	S	70.9	Confident	86.6	Confident	88 Å²	88	36.7 Å²	36.7	62%	0.615	20%	0.199	S	C	*	.	S	Bend	trans	-53.8	-35	178.8	50.4	0	0	0	0	113.3	K295	K295-S298 WeakPolarHBondContact CE-O 3.47Å; K295-S298 PolarHBondContact NZ-O 3.25Å
299	N	75.8	Confident	86.5	Confident	61 Å²	61	36.1 Å²	36.1	33%	0.326	21%	0.209	S	C	.	.	S	Bend	trans	-126.5	6.6	-174.3	-71.3	12.9	0	0	0	114.2	S297 H317 G318	S297-N299 PolarHBondContact O-N 3.14Å; S297-N299 VanDerWaalsContact O-N 3.14Å; N299-H317 WeakPolarHBondContact O-CA 3.49Å; N299-G318 WeakPolarHBondContact CB-O 3.47Å; N299-G318 PolarHBondContact ND2-O 3.39Å; N299-G318 VanDerWaalsContact ND2-O 3.09Å; N299-G318 PolarHBondContact O-N 2.9Å
300	T	81.9	Confident	86.5	Confident	17 Å²	17	35.5 Å²	35.5	10%	0.104	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.3	-178.2	-50.6	0	0	0	0	111.2	T296 S297 F315 L316 H317	T296-T300 PolarHBondContact N-O 2.86Å; T296-T300 WeakPolarHBondContact OG1-CB 3.43Å; T296-T300 WeakPolarHBondContact OG1-CG2 3.45Å; T296-T300 PolarHBondContact OG1-O 3Å; S297-T300 PolarHBondContact N-O 3.39Å; S297-T300 WeakPolarHBondContact OG-CB 3.41Å; S297-T300 PolarHBondContact OG-N 2.82Å; S297-T300 VanDerWaalsContact OG-N 3.17Å; S297-T300 PolarHBondContact OG-OG1 3.19Å; T300-F315 HydrophobicContact CG2-CD2 4.3Å; T300-F315 HydrophobicContact CG2-CE1 4.09Å; T300-F315 HydrophobicContact CG2-CE2 3.36Å; T300-F315 HydrophobicContact CG2-CZ 3.24Å; T300-L316 WeakPolarHBondContact CA-O 3.48Å; T300-H317 PolarHBondContact OG1-ND1 3.36Å
301	Y	85.9	Confident	86.6	Confident	10 Å²	10	33.8 Å²	33.8	4%	0.039	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.4	-173.3	-63.2	-102.1	0	0	0	108.7	L188 L194 Y195 K295 L316	L188-Y301 HydrophobicContact CB-CE2 3.71Å; L188-Y301 WeakPolarHBondContact CB-OH 3.23Å; L188-Y301 HydrophobicContact CD1-CD2 3.92Å; L188-Y301 HydrophobicContact CD1-CE2 3.6Å; L188-Y301 HydrophobicContact CG-CE2 4.31Å; L188-Y301 PolarHBondContact O-OH 2.47Å; L194-Y301 HydrophobicContact CD2-CD1 4.44Å; L194-Y301 HydrophobicContact CD2-CG 4.46Å; Y195-Y301 VanDerWaalsContact OH-CB 3.25Å; Y195-Y301 WeakPolarHBondContact OH-CB 3.49Å; K295-Y301 HydrophobicContact CB-CD1 4.16Å; K295-Y301 HydrophobicContact CB-CE1 4.22Å; K295-Y301 HydrophobicContact CD-CD1 4.45Å; K295-Y301 HydrophobicContact CD-CE1 3.73Å; K295-Y301 HydrophobicContact CG-CD1 4.13Å; K295-Y301 HydrophobicContact CG-CE1 3.92Å; K295-Y301 PolarHBondContact NZ-OH 3.17Å; Y301-L316 PolarHBondContact N-O 2.9Å; Y301-L316 PolarHBondContact O-N 3.38Å
302	L	88	Confident	86.7	Confident	14 Å²	14	33.4 Å²	33.4	7%	0.073	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136	-179.9	-178.3	72.2	0	0	0	109.8	F170 Y195 S293 E294 T296 V313 F315	F170-L302 HydrophobicContact CE1-CD1 4.37Å; F170-L302 HydrophobicContact CE1-CD2 4.34Å; F170-L302 HydrophobicContact CZ-CD1 4.39Å; F170-L302 HydrophobicContact CZ-CD2 4.16Å; F170-L302 HydrophobicContact CZ-CG 4.48Å; Y195-L302 PolarHBondContact OH-N 3.14Å; Y195-L302 PolarHBondContact OH-O 3.04Å; S293-L302 CarbonylContact C-O 3.59Å; S293-L302 VanDerWaalsContact CA-O 3.28Å; S293-L302 WeakPolarHBondContact CA-O 3.36Å; E294-L302 PolarHBondContact N-O 3.31Å; E294-L302 PolarHBondContact O-N 2.87Å; T296-L302 HydrophobicContact CG2-CB 4Å; L302-V313 HydrophobicContact CD1-CG1 3.37Å; L302-F315 HydrophobicContact CD1-CD2 4.3Å
303	C	91.3	Very high	86.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	137.3	174.3	170.8	0	0	0	0	111.1	Y195 A292 V313 I314	Y195-C303 HydrophobicContact CD1-CB 3.48Å; Y195-C303 VanDerWaalsContact CD1-CB 3.48Å; Y195-C303 HydrophobicContact CD2-CB 4.08Å; Y195-C303 HydrophobicContact CE1-CB 3.16Å; Y195-C303 HydrophobicContact CE2-CB 3.81Å; Y195-C303 HydrophobicContact CG-CB 3.91Å; A292-C303 CarbonylContact O-C 3.55Å; A292-C303 WeakPolarHBondContact O-CA 3.18Å; C303-V313 CarbonylContact O-C 3.46Å; C303-V313 VanDerWaalsContact O-CA 3.32Å; C303-V313 WeakPolarHBondContact O-CA 3.34Å; C303-I314 HydrophobicContact CB-CB 4.19Å; C303-I314 PolarHBondContact N-O 2.93Å; C303-I314 PolarHBondContact O-N 3.34Å
304	L	93.8	Very high	86.8	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123.8	166.8	-174.5	72.3	0	0	0	108.2	I135 I157 L161 F170 L173 I291 A292 L311 V313	I135-L304 HydrophobicContact CD1-CD2 4.1Å; I157-L304 HydrophobicContact CG2-CD2 3.61Å; L161-L304 HydrophobicContact CD1-CB 4.26Å; F170-L304 HydrophobicContact CD2-CD1 4.39Å; F170-L304 HydrophobicContact CE2-CB 4.26Å; F170-L304 HydrophobicContact CE2-CD1 3.83Å; F170-L304 HydrophobicContact CE2-CD2 4.39Å; F170-L304 HydrophobicContact CE2-CG 4.38Å; L173-L304 HydrophobicContact CD1-CD1 3.44Å; L173-L304 VanDerWaalsContact CD1-CD1 3.44Å; I291-L304 HydrophobicContact CB-CD2 4.35Å; I291-L304 HydrophobicContact CB-CG 4.44Å; I291-L304 WeakPolarHBondContact CB-O 3.48Å; I291-L304 HydrophobicContact CD1-CD2 4.04Å; I291-L304 HydrophobicContact CD1-CG 3.92Å; I291-L304 HydrophobicContact CG2-CD2 4.17Å; I291-L304 PolarHBondContact N-O 2.95Å; A292-L304 PolarHBondContact N-O 3.27Å; A292-L304 PolarHBondContact O-N 3.43Å; L304-L311 HydrophobicContact CD1-CD1 3.84Å; L304-L311 HydrophobicContact CD1-CG 4.29Å; L304-L311 HydrophobicContact CD2-CD1 4.28Å; L304-L311 HydrophobicContact CG-CD1 3.94Å; L304-V313 HydrophobicContact CD1-CG2 4.05Å
305	A	93.5	Very high	86.9	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	160.2	-175.9	0	0	0	0	0	111.8	K289 L307 C312 I314	K289-A305 CarbonylContact O-C 3.53Å; K289-A305 WeakPolarHBondContact O-CA 3.48Å; K289-A305 WeakPolarHBondContact O-CB 3.49Å; A305-L307 HydrophobicContact CB-CD2 4.38Å; A305-C312 PolarHBondContact N-O 3.34Å; A305-C312 PolarHBondContact O-N 3.39Å; A305-C312 VanDerWaalsContact O-O 3.07Å; A305-I314 HydrophobicContact CB-CD1 3.95Å; A305-I314 HydrophobicContact CB-CG1 4.42Å
306	V	92.6	Very high	87.1	Confident	4 Å²	4	26.7 Å²	26.7	2%	0.024	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	116.8	162	-172.3	0	0	0	0	106.7	E287 W288 K289 I291 V310 L311	E287-V306 HydrophobicContact CB-CG1 4.24Å; E287-V306 HydrophobicContact CG-CG1 4.38Å; E287-V306 WeakPolarHBondContact O-CG1 3.09Å; W288-V306 WeakPolarHBondContact CA-O 3.3Å; K289-V306 HydrophobicContact CB-CB 4.33Å; K289-V306 PolarHBondContact N-O 2.96Å; K289-V306 PolarHBondContact O-N 2.82Å; I291-V306 HydrophobicContact CD1-CG2 3.95Å; V306-V310 CarbonylContact C-O 3.6Å; V306-V310 VanDerWaalsContact CA-O 3.31Å; V306-V310 WeakPolarHBondContact CA-O 3.38Å; V306-L311 HydrophobicContact CG2-CD1 4.37Å
307	L	91.4	Very high	87.4	Confident	0 Å²	0	26 Å²	26	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.4	174.1	-60.9	-176.6	0	0	0	107.3	L176 I199 V202 L213 M217 W288 A305 G309 V310 C312 I314	L176-L307 HydrophobicContact CD2-CD1 4.03Å; I199-L307 HydrophobicContact CD1-CD2 4.34Å; I199-L307 HydrophobicContact CG1-CD2 3.71Å; V202-L307 HydrophobicContact CG2-CD1 4.47Å; L213-L307 HydrophobicContact CD1-CB 4.01Å; L213-L307 HydrophobicContact CD1-CD1 4.06Å; L213-L307 HydrophobicContact CD2-CB 3.7Å; L213-L307 WeakPolarHBondContact CD2-O 3.29Å; M217-L307 HydrophobicContact CE-CD1 4.24Å; W288-L307 HydrophobicContact CE3-CB 4.23Å; W288-L307 HydrophobicContact CE3-CD2 3.83Å; W288-L307 HydrophobicContact CZ3-CB 3.82Å; W288-L307 HydrophobicContact CZ3-CD2 3.88Å; W288-L307 HydrophobicContact CZ3-CG 4.42Å; A305-L307 HydrophobicContact CB-CD2 4.38Å; L307-G309 PolarHBondContact O-N 3.49Å; L307-G309 VanDerWaalsContact O-N 3.15Å; L307-V310 PolarHBondContact N-O 3.13Å; L307-V310 WeakPolarHBondContact O-CA 3.42Å; L307-V310 WeakPolarHBondContact O-CB 3.5Å; L307-V310 PolarHBondContact O-N 3.14Å; L307-C312 VanDerWaalsContact CD1-SG 3.55Å; L307-C312 WeakPolarHBondContact CG-SG 3.34Å; L307-I314 HydrophobicContact CD1-CD1 4.22Å; L307-I314 HydrophobicContact CD1-CG1 4.23Å; L307-I314 HydrophobicContact CD2-CD1 4.34Å
308	D	88	Confident	87.5	Confident	48 Å²	48	23.5 Å²	23.5	26%	0.257	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	38.7	-176.2	-147.4	37.7	0	0	0	115.6	L213 H286 E287 W288 V310	L213-D308 HydrophobicContact CD2-CB 4.09Å; H286-D308 WeakPolarHBondContact CB-OD1 3.49Å; H286-D308 IonicContact CE1-OD1 2.61Å; H286-D308 IonicContact CE1-OD2 2.76Å; H286-D308 IonicContact CG-OD1 2.97Å; H286-D308 IonicContact ND1-OD1 2.77Å; H286-D308 PolarHBondContact ND1-OD1 3.33Å; H286-D308 IonicContact ND1-OD2 2.62Å; H286-D308 PolarHBondContact ND1-OD2 3.49Å; E287-D308 PolarHBondContact O-N 3.1Å; W288-D308 HydrophobicContact CH2-CB 3.7Å; W288-D308 HydrophobicContact CZ2-CB 3.58Å; W288-D308 WeakPolarHBondContact CZ2-OD1 3.5Å; W288-D308 HydrophobicContact CZ3-CB 4.49Å; D308-V310 VanDerWaalsContact C-N 3.26Å; D308-V310 PolarHBondContact O-N 3.5Å
309	G	86.3	Confident	87.8	Confident	39 Å²	39	25 Å²	25	40%	0.402	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	-7.9	-174.9	0	0	0	0	0	115.3	E287 L307	E287-G309 PolarHBondContact O-N 3.17Å; L307-G309 PolarHBondContact O-N 3.49Å; L307-G309 VanDerWaalsContact O-N 3.15Å
310	V	89.1	Confident	87.5	Confident	61 Å²	61	27.6 Å²	27.6	37%	0.37	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	120.5	177.5	-175.9	0	0	0	0	110.7	P174 L213 V306 L307 D308 C312	P174-V310 HydrophobicContact CG-CG1 4.2Å; L213-V310 HydrophobicContact CD2-CB 4.09Å; L213-V310 HydrophobicContact CD2-CG2 4.13Å; V306-V310 CarbonylContact C-O 3.6Å; V306-V310 VanDerWaalsContact CA-O 3.31Å; V306-V310 WeakPolarHBondContact CA-O 3.38Å; L307-V310 PolarHBondContact N-O 3.13Å; L307-V310 WeakPolarHBondContact O-CA 3.42Å; L307-V310 WeakPolarHBondContact O-CB 3.5Å; L307-V310 PolarHBondContact O-N 3.14Å; D308-V310 VanDerWaalsContact C-N 3.26Å; D308-V310 PolarHBondContact O-N 3.5Å; V310-C312 PolarHBondContact O-N 3.21Å
311	L	93.6	Very high	86.2	Confident	18 Å²	18	29.8 Å²	29.8	9%	0.094	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	117.1	170.6	-179.3	64.1	0	0	0	109.7	I135 N139 L173 I291 L304 V306	I135-L311 HydrophobicContact CG2-CD2 4.21Å; N139-L311 VanDerWaalsContact OD1-CD2 3.31Å; N139-L311 WeakPolarHBondContact OD1-CD2 3.47Å; L173-L311 HydrophobicContact CD1-CG 4.42Å; L173-L311 HydrophobicContact CD2-CD2 4.09Å; L173-L311 HydrophobicContact CD2-CG 4.16Å; I291-L311 HydrophobicContact CD1-CD1 3.3Å; L304-L311 HydrophobicContact CD1-CD1 3.84Å; L304-L311 HydrophobicContact CD1-CG 4.29Å; L304-L311 HydrophobicContact CD2-CD1 4.28Å; L304-L311 HydrophobicContact CG-CD1 3.94Å; V306-L311 HydrophobicContact CG2-CD1 4.37Å
312	C	93	Very high	84.1	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	168.8	-173.8	61.8	0	0	0	0	112.4	P174 M217 A305 L307 V310	P174-C312 HydrophobicContact CB-CB 4.08Å; P174-C312 CarbonylContact O-C 3.49Å; P174-C312 WeakPolarHBondContact O-CA 3.5Å; P174-C312 VanDerWaalsContact O-CB 3.31Å; P174-C312 WeakPolarHBondContact O-CB 3.07Å; M217-C312 HydrophobicContact CE-CB 3.34Å; M217-C312 WeakPolarHBondContact CE-SG 3.36Å; M217-C312 HydrophobicContact SD-CB 4.44Å; A305-C312 PolarHBondContact N-O 3.34Å; A305-C312 PolarHBondContact O-N 3.39Å; A305-C312 VanDerWaalsContact O-O 3.07Å; L307-C312 VanDerWaalsContact CD1-SG 3.55Å; L307-C312 WeakPolarHBondContact CG-SG 3.34Å; V310-C312 PolarHBondContact O-N 3.21Å
313	V	92.5	Very high	81.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.4	179	177.5	0	0	0	0	109.3	F170 L173 P174 R175 L176 L302 C303 L304	F170-V313 HydrophobicContact CD1-CG2 4.29Å; F170-V313 HydrophobicContact CE1-CG1 4.2Å; F170-V313 HydrophobicContact CE1-CG2 3.66Å; F170-V313 HydrophobicContact CE2-CG2 4.12Å; F170-V313 HydrophobicContact CZ-CG1 4.21Å; F170-V313 HydrophobicContact CZ-CG2 3.56Å; L173-V313 HydrophobicContact CB-CG2 3.92Å; L173-V313 HydrophobicContact CD1-CG2 3.97Å; P174-V313 PolarHBondContact O-N 2.97Å; R175-V313 CarbonylContact C-O 3.57Å; R175-V313 VanDerWaalsContact CA-O 3.26Å; R175-V313 WeakPolarHBondContact CA-O 3.25Å; R175-V313 HydrophobicContact CG-CB 4.06Å; R175-V313 HydrophobicContact CG-CG1 4.49Å; L176-V313 PolarHBondContact N-O 2.97Å; L302-V313 HydrophobicContact CD1-CG1 3.37Å; C303-V313 CarbonylContact O-C 3.46Å; C303-V313 VanDerWaalsContact O-CA 3.32Å; C303-V313 WeakPolarHBondContact O-CA 3.34Å; L304-V313 HydrophobicContact CD1-CG2 4.05Å
314	I	91.1	Very high	79	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	116.7	168.9	-54	173.1	0	0	0	107.3	L176 L178 Y195 V198 C303 A305 L307	L176-I314 HydrophobicContact CB-CG1 4.41Å; L176-I314 HydrophobicContact CD2-CG1 4.33Å; L176-I314 HydrophobicContact CD2-CG2 4.44Å; L176-I314 WeakPolarHBondContact O-CA 3.32Å; L178-I314 HydrophobicContact CD1-CG2 3.99Å; Y195-I314 HydrophobicContact CD1-CB 4.4Å; Y195-I314 HydrophobicContact CD1-CD1 4.4Å; Y195-I314 HydrophobicContact CD1-CG2 4.12Å; Y195-I314 HydrophobicContact CE1-CB 4.34Å; Y195-I314 HydrophobicContact CE1-CG2 4.07Å; V198-I314 HydrophobicContact CG1-CD1 4.13Å; V198-I314 HydrophobicContact CG1-CG2 4.05Å; C303-I314 HydrophobicContact CB-CB 4.19Å; C303-I314 PolarHBondContact N-O 2.93Å; C303-I314 PolarHBondContact O-N 3.34Å; A305-I314 HydrophobicContact CB-CD1 3.95Å; A305-I314 HydrophobicContact CB-CG1 4.42Å; L307-I314 HydrophobicContact CD1-CD1 4.22Å; L307-I314 HydrophobicContact CD1-CG1 4.23Å; L307-I314 HydrophobicContact CD2-CD1 4.34Å
315	F	88.4	Confident	76.1	Confident	80 Å²	80	52.2 Å²	52.2	35%	0.351	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.9	175.8	-175.6	-93	0	0	0	109.3	L176 K177 L178 T300 L302 H317	L176-F315 PolarHBondContact O-N 3.17Å; K177-F315 WeakPolarHBondContact CA-O 3.36Å; L178-F315 PolarHBondContact N-O 2.77Å; T300-F315 HydrophobicContact CG2-CD2 4.3Å; T300-F315 HydrophobicContact CG2-CE1 4.09Å; T300-F315 HydrophobicContact CG2-CE2 3.36Å; T300-F315 HydrophobicContact CG2-CZ 3.24Å; L302-F315 HydrophobicContact CD1-CD2 4.3Å; F315-H317 HydrophobicContact CE1-CB 4.45Å
316	L	87.1	Confident	73.2	Confident	0 Å²	0	58 Å²	58	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	125	-171.7	-164.1	167.7	0	0	0	110.2	L178 V180 L188 L194 V198 T300 Y301	L178-L316 HydrophobicContact CB-CB 4.37Å; L178-L316 HydrophobicContact CB-CG 4.01Å; L178-L316 HydrophobicContact CD1-CD1 4.14Å; L178-L316 HydrophobicContact CD1-CG 4.34Å; L178-L316 WeakPolarHBondContact O-CA 3.42Å; V180-L316 HydrophobicContact CB-CD2 3.96Å; V180-L316 HydrophobicContact CG2-CD1 4.12Å; V180-L316 HydrophobicContact CG2-CD2 3.44Å; V180-L316 VanDerWaalsContact CG2-CD2 3.44Å; V180-L316 HydrophobicContact CG2-CG 3.69Å; L188-L316 HydrophobicContact CD1-CD2 3.5Å; L188-L316 VanDerWaalsContact CD1-CD2 3.5Å; L194-L316 HydrophobicContact CD1-CD1 4.11Å; L194-L316 HydrophobicContact CD2-CD1 3.7Å; L194-L316 HydrophobicContact CD2-CD2 4.34Å; L194-L316 HydrophobicContact CG-CD1 3.81Å; V198-L316 HydrophobicContact CG2-CD1 3.92Å; T300-L316 WeakPolarHBondContact CA-O 3.48Å; Y301-L316 PolarHBondContact N-O 2.9Å; Y301-L316 PolarHBondContact O-N 3.38Å
317	H	84.5	Confident	70.4	Confident	53 Å²	53	63.9 Å²	63.9	25%	0.245	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.8	179.1	-172.9	73.9	0	0	0	111.1	L178 V180 N299 T300 F315	L178-H317 PolarHBondContact O-N 3.28Å; V180-H317 PolarHBondContact N-O 3.09Å; N299-H317 WeakPolarHBondContact O-CA 3.49Å; T300-H317 PolarHBondContact OG1-ND1 3.36Å; F315-H317 HydrophobicContact CE1-CB 4.45Å
318	G	79.8	Confident	67.4	Low	1 Å²	1	68.7 Å²	68.7	1%	0.01	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.9	178.7	0	0	0	0	0	113.1	V180 N299	V180-G318 WeakPolarHBondContact O-CA 3.24Å; N299-G318 WeakPolarHBondContact CB-O 3.47Å; N299-G318 PolarHBondContact ND2-O 3.39Å; N299-G318 VanDerWaalsContact ND2-O 3.09Å; N299-G318 PolarHBondContact O-N 2.9Å
319	R	76.2	Confident	64.9	Low	118 Å²	118	73.1 Å²	73.1	45%	0.445	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.6	174.1	-72.3	-171.9	147.5	128.1	4.6	111.1	E179 V180 M181 L182	E179-R319 IonicContact OE1-CZ 3.99Å; E179-R319 IonicContact OE1-NH1 3.84Å; E179-R319 PolarHBondContact OE1-NH1 3.15Å; E179-R319 IonicContact OE2-CZ 3.48Å; E179-R319 IonicContact OE2-NH1 2.61Å; E179-R319 PolarHBondContact OE2-NH1 3.44Å; V180-R319 PolarHBondContact O-N 2.81Å; M181-R319 CarbonylContact C-O 3.49Å; M181-R319 WeakPolarHBondContact CA-O 3.19Å; L182-R319 PolarHBondContact N-O 3.33Å
320	N	70.3	Confident	62.1	Low	116 Å²	116	76.6 Å²	76.6	62%	0.62	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	141.2	168.2	-63.4	-9	0	0	0	108.8
321	S	53	Low	59.5	Low	63 Å²	63	85.1 Å²	85.1	44%	0.441	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-55.4	134.7	-179.9	-176	0	0	0	0	112.4	L182 Q323	L182-S321 PolarHBondContact O-N 2.99Å; S321-Q323 PolarHBondContact O-N 3.13Å
322	P	42	Very low	56.3	Low	107 Å²	107	92.4 Å²	92.4	70%	0.695	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-73.6	122.7	175	27	-29.6	0	0	0	111.3
323	Q	39.4	Very low	53.2	Low	164 Å²	164	99.6 Å²	99.6	77%	0.766	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-73.3	127.9	163.3	-72.4	-173.9	-9.5	0	0	109.7	S321	S321-Q323 PolarHBondContact O-N 3.13Å
324	S	33	Very low	50.4	Low	112 Å²	112	108.6 Å²	108.6	78%	0.783	59%	0.592	S	S	*	*	S	Bend	trans	77.7	126.4	172	74.5	0	0	0	0	118.3
325	S	32.7	Very low	47.5	Very low	112 Å²	112	112.9 Å²	112.9	78%	0.783	62%	0.622	S	S	*	*			trans	-63.3	138.8	171.3	-30.5	0	0	0	0	111
326	P	33.9	Very low	44.6	Very low	121 Å²	121	117.5 Å²	117.5	79%	0.786	65%	0.649	S	S	*	*			trans	-97.5	103.8	165.2	31.6	-21.7	0	0	0	109.9
327	T	33.1	Very low	41.9	Very low	129 Å²	129	122.4 Å²	122.4	79%	0.791	68%	0.683	S	S	*	*			trans	-58.6	138.3	145.3	-24.1	0	0	0	0	107.4
328	S	29	Very low	39.4	Very low	101 Å²	101	129.3 Å²	129.3	71%	0.706	71%	0.713	S	S	*	*	S	Bend	trans	73.9	122	174.5	61.1	0	0	0	0	118.3	P330	S328-P330 VanDerWaalsContact O-CD 3.3Å; S328-P330 WeakPolarHBondContact O-CD 3.4Å
329	T	34.1	Very low	36.9	Very low	141 Å²	141	138.4 Å²	138.4	87%	0.865	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-65.4	123.3	166.6	-36.5	0	0	0	0	110.6
330	P	28.6	Very low	34.7	Very low	111 Å²	111	140.4 Å²	140.4	72%	0.721	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-100.1	124.9	159.7	6.8	14.8	0	0	0	109.4	S328 L332	S328-P330 VanDerWaalsContact O-CD 3.3Å; S328-P330 WeakPolarHBondContact O-CD 3.4Å; P330-L332 PolarHBondContact O-N 3.26Å
331	R	33.7	Very low	32.9	Very low	241 Å²	241	143.1 Å²	143.1	91%	0.909	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-57.9	128.8	162.2	-68.4	176.8	173.5	178.4	-2.9	109.1
332	L	27.8	Very low	32.6	Very low	171 Å²	171	145.2 Å²	145.2	90%	0.895	80%	0.795	S	S	*	*			trans	-99.2	108	165	-98.4	155.8	0	0	0	109.4	P330	P330-L332 PolarHBondContact O-N 3.26Å
333	L	27.6	Very low	32.7	Very low	150 Å²	150	144.9 Å²	144.9	79%	0.785	80%	0.795	S	S	*	*			trans	-116.1	141.3	167.7	-120.7	164.7	0	0	0	107.5
334	K	32.8	Very low	33.2	Very low	190 Å²	190	142.8 Å²	142.8	83%	0.826	79%	0.789	S	S	*	*			trans	82.8	142.8	173.7	-66.8	-177.7	176.5	179.4	0	115.2
335	S	30.1	Very low	34.4	Very low	90 Å²	90	140.1 Å²	140.1	63%	0.629	77%	0.768	S	S	*	*			cis	172.3	119.8	-6.2	160.1	0	0	0	0	103.1
336	L	29	Very low	36.3	Very low	176 Å²	176	137.5 Å²	137.5	92%	0.921	75%	0.747	S	S	*	*			trans	-123.3	103	155.5	-79.8	169.8	0	0	0	107.2	F338	L336-F338 PolarHBondContact O-N 2.88Å
337	S	29.3	Very low	38.6	Very low	103 Å²	103	137.2 Å²	137.2	72%	0.72	74%	0.735	S	S	*	*			trans	-59.9	119.9	167.5	45.2	0	0	0	0	109.6
338	F	31.3	Very low	41.3	Very low	199 Å²	199	134.4 Å²	134.4	87%	0.873	71%	0.712	S	S	*	*			trans	-117.5	141.4	151.9	-115.2	-92.3	0	0	0	107.7	L336	L336-F338 PolarHBondContact O-N 2.88Å
339	E	28.6	Very low	44.2	Very low	191 Å²	191	133.5 Å²	133.5	89%	0.893	70%	0.704	S	S	*	*			trans	-58.5	138.9	-162.1	-68.7	169	144.5	0	0	113.9
340	L	30.4	Very low	47.1	Very low	160 Å²	160	127.5 Å²	127.5	84%	0.838	67%	0.666	S	S	*	*			trans	-68.2	133.5	176.7	-102.3	85	0	0	0	112.8
341	Q	32.5	Very low	50.3	Low	174 Å²	174	124 Å²	124	81%	0.813	65%	0.645	S	S	*	*			trans	-160.5	158.3	130.8	-87.8	-47.3	-63.6	0	0	108.4
342	P	46	Very low	53.3	Low	106 Å²	106	115.7 Å²	115.7	69%	0.688	62%	0.622	S	S	*	*	S	Bend		-101.7	137.8	-122.9	36	-33.6	0	0	0	115.7
343	S	43.3	Very low	56.6	Low	100 Å²	100	107.7 Å²	107.7	70%	0.699	58%	0.58	S	S	*	*			trans	-163	105.3	133.2	59.7	0	0	0	0	108.2	V345	S343-V345 PolarHBondContact O-N 3.3Å
344	D	50.9	Low	59.9	Low	121 Å²	121	106.5 Å²	106.5	65%	0.647	57%	0.57	S	S	*	*			trans	-69.3	63.3	-177.6	-68.9	-55.4	0	0	0	113
345	V	58	Low	62.8	Low	55 Å²	55	100.8 Å²	100.8	33%	0.333	54%	0.544	S	S	.	.			trans	-127.8	111	173.7	-178.7	0	0	0	0	107.7	S343 K637 Y639	S343-V345 PolarHBondContact O-N 3.3Å; V345-K637 HydrophobicContact CG1-CB 3.69Å; V345-K637 HydrophobicContact CG1-CD 3.77Å; V345-K637 HydrophobicContact CG1-CG 3.53Å; V345-Y639 HydrophobicContact CG2-CE1 4.36Å
346	V	73.1	Confident	65.9	Low	58 Å²	58	97.6 Å²	97.6	35%	0.352	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	118.5	170.2	-178.5	0	0	0	0	107.9	T638 K640	V346-T638 PolarHBondContact N-O 3.07Å; V346-T638 VanDerWaalsContact N-O 3.08Å; V346-T638 PolarHBondContact O-N 2.76Å; V346-T638 PolarHBondContact O-OG1 2.93Å; V346-K640 HydrophobicContact CG2-CD 4.02Å; V346-K640 HydrophobicContact CG2-CG 4.23Å
347	E	82.6	Confident	69.2	Low	115 Å²	115	89.2 Å²	89.2	54%	0.537	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	130.4	169.7	-72.9	-176.2	171.7	0	0	109.7	T636 K637	E347-T636 WeakPolarHBondContact CA-O 3.16Å; E347-K637 HydrophobicContact CG-CG 4Å; E347-K637 WeakPolarHBondContact OE1-CE 3.24Å
348	K	88.5	Confident	72.5	Confident	69 Å²	69	84.3 Å²	84.3	30%	0.3	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	149.9	174	72.8	-174.7	-171.7	81.1	0	110	M350 D392 Y635 T636 T638	K348-M350 PolarHBondContact O-N 2.87Å; K348-D392 WeakPolarHBondContact CE-OD2 3.33Å; K348-D392 IonicContact NZ-OD2 2.87Å; K348-D392 PolarHBondContact NZ-OD2 3.32Å; K348-Y635 CarbonylContact O-C 3.52Å; K348-Y635 VanDerWaalsContact O-CA 3.27Å; K348-Y635 WeakPolarHBondContact O-CA 3.17Å; K348-T636 HydrophobicContact CG-CG2 4.06Å; K348-T636 PolarHBondContact N-O 3.17Å; K348-T636 PolarHBondContact O-N 3.33Å; K348-T638 HydrophobicContact CD-CG2 4.16Å
349	P	91	Very high	75.5	Confident	83 Å²	83	75.2 Å²	75.2	54%	0.539	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	137.8	170.8	-23	33.2	0	0	0	110.4	P634 Y635	P349-P634 CarbonylContact C-O 3.44Å; P349-P634 WeakPolarHBondContact CA-O 3.04Å; P349-Y635 HydrophobicContact CG-CD1 4.13Å; P349-Y635 HydrophobicContact CG-CE1 3.76Å
350	M	93.3	Very high	78.8	Confident	14 Å²	14	66.6 Å²	66.6	7%	0.069	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-61.5	143.6	175.7	-60	-175.9	86.4	0	0	109.6	K348 Y387 Y608 V622 V624 P634 T636	K348-M350 PolarHBondContact O-N 2.87Å; M350-Y387 HydrophobicContact CE-CE1 3.93Å; M350-Y387 WeakPolarHBondContact CE-OH 3.45Å; M350-Y608 HydrophobicContact CE-CD1 4.33Å; M350-Y608 HydrophobicContact CE-CE1 3.62Å; M350-V622 HydrophobicContact CB-CG1 3.65Å; M350-V622 HydrophobicContact SD-CG1 4.37Å; M350-V624 HydrophobicContact CE-CB 4.41Å; M350-V624 HydrophobicContact SD-CB 4.05Å; M350-V624 HydrophobicContact SD-CG1 4.03Å; M350-P634 WeakPolarHBondContact CG-O 3.4Å; M350-P634 PolarHBondContact N-O 3.01Å; M350-T636 HydrophobicContact CG-CG2 4.16Å
351	S	96.3	Very high	82	Confident	39 Å²	39	59 Å²	59	27%	0.273	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-63.7	127	178	-72.8	0	0	0	0	110.2	D392 W394 V622	S351-D392 PolarHBondContact N-OD1 3.3Å; S351-D392 PolarHBondContact N-OD2 3.22Å; S351-D392 PolarHBondContact OG-O 2.91Å; S351-D392 VanDerWaalsContact OG-O 3.12Å; S351-W394 VanDerWaalsContact O-CD1 3.27Å; S351-W394 PolarHBondContact O-NE1 3.31Å; S351-V622 WeakPolarHBondContact O-CG1 3.11Å
352	P	96.6	Very high	85.2	Confident	65 Å²	65	51.8 Å²	51.8	42%	0.422	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-74.8	162.4	175.5	32.4	-35.1	0	0	0	110.8	N620	P352-N620 WeakPolarHBondContact CA-O 3.46Å; P352-N620 HydrophobicContact CB-CB 4.49Å; P352-N620 WeakPolarHBondContact CB-O 3.34Å
353	M	98.2	Very high	87.6	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.015	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-60.8	153.7	166.3	-67	-178.8	-58.9	0	0	110.3	Y355 R357 A371 E385 W394 V610 N620	M353-Y355 VanDerWaalsContact C-N 3.32Å; M353-Y355 WeakPolarHBondContact CB-O 3.46Å; M353-R357 HydrophobicContact CE-CB 3.96Å; M353-R357 HydrophobicContact CE-CG 4.07Å; M353-R357 HydrophobicContact SD-CG 4.36Å; M353-A371 HydrophobicContact SD-CB 3.63Å; M353-E385 WeakPolarHBondContact CA-OE2 3.27Å; M353-E385 WeakPolarHBondContact CB-OE2 3.38Å; M353-W394 HydrophobicContact CG-CD2 3.82Å; M353-W394 HydrophobicContact CG-CE3 3.94Å; M353-W394 HydrophobicContact CG-CH2 3.5Å; M353-W394 HydrophobicContact CG-CZ2 3.38Å; M353-W394 HydrophobicContact CG-CZ3 3.78Å; M353-W394 HydrophobicContact SD-CH2 3.84Å; M353-W394 HydrophobicContact SD-CZ2 4.24Å; M353-W394 HydrophobicContact SD-CZ3 4.14Å; M353-V610 HydrophobicContact CE-CG2 3.5Å; M353-V610 HydrophobicContact CG-CG2 4.1Å; M353-V610 HydrophobicContact SD-CG2 3.52Å; M353-V610 VanDerWaalsContact SD-CG2 3.52Å; M353-N620 HydrophobicContact CB-CB 4.19Å; M353-N620 PolarHBondContact N-O 2.99Å; M353-N620 WeakPolarHBondContact O-CB 3.09Å; M353-N620 PolarHBondContact O-ND2 3.44Å
354	Q	96	Very high	90.2	Very high	125 Å²	125	45.8 Å²	45.8	58%	0.584	25%	0.248	S	C	*	.	S	Bend	trans	-66.1	-39.6	172.1	-179.7	167.7	-14.1	0	0	111.1	E385 F396	Q354-E385 PolarHBondContact N-OE2 3.41Å; Q354-F396 HydrophobicContact CB-CZ 4.1Å; Q354-F396 HydrophobicContact CG-CZ 4.4Å
355	Y	92.9	Very high	92.4	Very high	71 Å²	71	40.7 Å²	40.7	28%	0.278	22%	0.221	S	C	.	.	S	Bend	trans	-106	138.9	178.2	-64.9	-85.6	0	0	0	111.2	M353 L381 T383 E385 F396	M353-Y355 VanDerWaalsContact C-N 3.32Å; M353-Y355 WeakPolarHBondContact CB-O 3.46Å; Y355-L381 HydrophobicContact CD1-CD2 4.01Å; Y355-L381 HydrophobicContact CE1-CD2 4.49Å; Y355-L381 HydrophobicContact CG-CD1 4.5Å; Y355-L381 HydrophobicContact CG-CD2 4.35Å; Y355-T383 HydrophobicContact CE2-CG2 4.41Å; Y355-E385 PolarHBondContact N-OE1 3.26Å; Y355-F396 HydrophobicContact CD2-CE1 4.23Å; Y355-F396 HydrophobicContact CD2-CZ 4.2Å; Y355-F396 HydrophobicContact CE2-CE1 4.05Å; Y355-F396 AromaticContact CE2-CZ 3.81Å; Y355-F396 HydrophobicContact CE2-CZ 3.81Å
356	A	96.4	Very high	94.1	Very high	22 Å²	22	44.2 Å²	44.2	18%	0.182	24%	0.238	C	C	.	.			trans	-67.1	136.1	162.5	0	0	0	0	0	109.8	N376 F618 L619 N620	A356-N376 HydrophobicContact CB-CB 4.35Å; A356-F618 HydrophobicContact CB-CB 3.78Å; A356-F618 VanDerWaalsContact CB-O 3.23Å; A356-F618 WeakPolarHBondContact CB-O 3.46Å; A356-L619 WeakPolarHBondContact CA-O 3.46Å; A356-N620 HydrophobicContact CB-CB 4.26Å
357	R	98.3	Very high	95.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.239	C	C	.	.			trans	-140.3	120.2	-172.6	-63.1	177.4	-173.2	-89.6	-2.4	110.9	M353 L360 G373 L381 T383 E385 G611 G612 L619	M353-R357 HydrophobicContact CE-CB 3.96Å; M353-R357 HydrophobicContact CE-CG 4.07Å; M353-R357 HydrophobicContact SD-CG 4.36Å; R357-L360 HydrophobicContact CB-CB 4.14Å; R357-L360 HydrophobicContact CB-CD1 3.79Å; R357-L360 HydrophobicContact CB-CG 4.38Å; R357-G373 WeakPolarHBondContact CD-O 3.1Å; R357-G373 PolarHBondContact NH1-O 3.47Å; R357-L381 HydrophobicContact CG-CD1 3.8Å; R357-T383 PolarHBondContact NH1-O 3.47Å; R357-T383 PolarHBondContact NH1-OG1 3.02Å; R357-T383 PolarHBondContact NH2-OG1 3.16Å; R357-E385 IonicContact CZ-OE1 2.91Å; R357-E385 VanDerWaalsContact CZ-OE1 3.26Å; R357-E385 IonicContact NE-OE1 2.53Å; R357-E385 PolarHBondContact NE-OE1 2.89Å; R357-E385 IonicContact NH2-OE1 2.71Å; R357-E385 PolarHBondContact NH2-OE1 2.69Å; R357-G611 WeakPolarHBondContact O-CA 3.42Å; R357-G612 PolarHBondContact O-N 3.34Å; R357-L619 PolarHBondContact N-O 3.1Å
358	S	97.3	Very high	95.8	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-120.1	152.4	165.2	-176.6	0	0	0	0	110.6	L360 G374 Y375 N597 F618	S358-L360 PolarHBondContact O-N 3.24Å; S358-G374 CarbonylContact O-C 3.56Å; S358-G374 WeakPolarHBondContact O-CA 3.12Å; S358-Y375 PolarHBondContact N-O 2.99Å; S358-Y375 WeakPolarHBondContact O-CD1 3.08Å; S358-Y375 WeakPolarHBondContact O-CE1 3.44Å; S358-Y375 PolarHBondContact O-N 3.29Å; S358-N597 VanDerWaalsContact OG-CB 3.3Å; S358-N597 WeakPolarHBondContact OG-CB 3.17Å; S358-F618 VanDerWaalsContact CB-CD1 3.43Å
359	G	95.6	Very high	96.3	Very high	8 Å²	8	37.8 Å²	37.8	8%	0.082	21%	0.214	C	C	.	.	S	Bend	trans	59.1	31.3	-176	0	0	0	0	0	113	R406 N597	G359-R406 PolarHBondContact O-N 3.49Å; G359-N597 PolarHBondContact N-O 3.43Å
360	L	97.9	Very high	96.7	Very high	11 Å²	11	34 Å²	34	6%	0.058	19%	0.189	C	C	.	.			trans	-82.2	160	177.7	76.6	170.4	0	0	0	111.8	R357 S358 T362 A371	R357-L360 HydrophobicContact CB-CB 4.14Å; R357-L360 HydrophobicContact CB-CD1 3.79Å; R357-L360 HydrophobicContact CB-CG 4.38Å; S358-L360 PolarHBondContact O-N 3.24Å; L360-T362 HydrophobicContact CD1-CG2 3.8Å; L360-T362 HydrophobicContact CG-CG2 3.95Å; L360-A371 HydrophobicContact CD1-CB 3.82Å
361	G	97.8	Very high	96.9	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	133	165	0	0	0	0	0	110.8	A372	G361-A372 PolarHBondContact N-O 3.45Å; G361-A372 PolarHBondContact O-N 2.93Å
362	T	98.3	Very high	97	Very high	21 Å²	21	31.4 Å²	31.4	13%	0.129	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145.7	171.6	55.2	0	0	0	0	112.6	L360 I370 M409 G599 T601 V610	L360-T362 HydrophobicContact CD1-CG2 3.8Å; L360-T362 HydrophobicContact CG-CG2 3.95Å; T362-I370 WeakPolarHBondContact CA-O 3.44Å; T362-M409 VanDerWaalsContact C-CE 3.47Å; T362-G599 VanDerWaalsContact OG1-CA 3.3Å; T362-G599 WeakPolarHBondContact OG1-CA 3.42Å; T362-T601 WeakPolarHBondContact CB-OG1 3.44Å; T362-T601 PolarHBondContact OG1-OG1 3.1Å; T362-V610 HydrophobicContact CG2-CG1 3.72Å
363	A	97.8	Very high	97.1	Very high	8 Å²	8	28.3 Å²	28.3	7%	0.066	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	159.8	177.5	0	0	0	0	0	110.6	I370 M409 V411 L416	A363-I370 PolarHBondContact N-O 3.2Å; A363-I370 PolarHBondContact O-N 3.41Å; A363-M409 HydrophobicContact CB-CE 3.48Å; A363-M409 VanDerWaalsContact CB-CE 3.48Å; A363-M409 HydrophobicContact CB-CG 4.32Å; A363-V411 HydrophobicContact CB-CG2 3.65Å; A363-L416 HydrophobicContact CB-CD2 3.92Å
364	E	97.4	Very high	97	Very high	73 Å²	73	28.2 Å²	28.2	34%	0.341	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.6	165.7	-176.7	-82.2	143.9	0	0	109	N366 G367 K368 V411 T601 A602 V603	E364-N366 PolarHBondContact OE1-N 3.38Å; E364-G367 WeakPolarHBondContact OE1-CA 3.42Å; E364-G367 PolarHBondContact OE1-N 3.1Å; E364-K368 WeakPolarHBondContact CA-O 3.44Å; E364-V411 WeakPolarHBondContact O-CG2 3.47Å; E364-T601 HydrophobicContact CB-CG2 4.15Å; E364-A602 WeakPolarHBondContact CB-O 3.41Å; E364-V603 HydrophobicContact CB-CG2 4.15Å; E364-V603 HydrophobicContact CG-CB 4.26Å; E364-V603 HydrophobicContact CG-CG1 4.09Å; E364-V603 HydrophobicContact CG-CG2 4.1Å
365	L	96.1	Very high	96.8	Very high	14 Å²	14	25 Å²	25	7%	0.073	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	121.1	172.3	-176.4	69.4	0	0	0	109.2	G367 K368 I370 L416 Y435 P437	L365-G367 VanDerWaalsContact C-N 3.28Å; L365-G367 PolarHBondContact O-N 2.92Å; L365-K368 PolarHBondContact N-O 3.39Å; L365-K368 WeakPolarHBondContact O-CB 3.46Å; L365-K368 PolarHBondContact O-N 2.76Å; L365-K368 VanDerWaalsContact O-N 3.07Å; L365-I370 HydrophobicContact CB-CD1 4.32Å; L365-I370 HydrophobicContact CB-CG1 3.78Å; L365-L416 HydrophobicContact CB-CD2 4.3Å; L365-L416 HydrophobicContact CD1-CD2 4.44Å; L365-L416 HydrophobicContact CD2-CD1 4.07Å; L365-L416 HydrophobicContact CD2-CD2 4.31Å; L365-L416 HydrophobicContact CD2-CG 4.12Å; L365-Y435 HydrophobicContact CD2-CD1 4.22Å; L365-Y435 HydrophobicContact CD2-CE1 3.99Å; L365-P437 HydrophobicContact CD1-CG 4.17Å; L365-P437 HydrophobicContact CD2-CB 4.3Å; L365-P437 HydrophobicContact CD2-CG 3.76Å; L365-P437 HydrophobicContact CG-CG 4.46Å
366	N	93.9	Very high	96.7	Very high	129 Å²	129	22.5 Å²	22.5	69%	0.69	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	40.6	177.2	-60.5	-30.9	0	0	0	113.5	E364 K368	E364-N366 PolarHBondContact OE1-N 3.38Å; N366-K368 VanDerWaalsContact C-N 3.29Å; N366-K368 PolarHBondContact O-N 2.94Å
367	G	95.2	Very high	95.9	Very high	36 Å²	36	27.8 Å²	27.8	37%	0.371	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	14	-179.8	0	0	0	0	0	114.5	E364 L365 V603	E364-G367 WeakPolarHBondContact OE1-CA 3.42Å; E364-G367 PolarHBondContact OE1-N 3.1Å; L365-G367 VanDerWaalsContact C-N 3.28Å; L365-G367 PolarHBondContact O-N 2.92Å; G367-V603 VanDerWaalsContact C-CG1 3.47Å; G367-V603 VanDerWaalsContact O-CG1 3.23Å; G367-V603 WeakPolarHBondContact O-CG1 3.37Å
368	K	97.4	Very high	95.2	Very high	69 Å²	69	35.9 Å²	35.9	30%	0.3	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	151.6	-178.3	-61.3	-171.5	-175.7	-179	0	111.4	E364 L365 N366 C386 Y387 D388	E364-K368 WeakPolarHBondContact CA-O 3.44Å; L365-K368 PolarHBondContact N-O 3.39Å; L365-K368 WeakPolarHBondContact O-CB 3.46Å; L365-K368 PolarHBondContact O-N 2.76Å; L365-K368 VanDerWaalsContact O-N 3.07Å; N366-K368 VanDerWaalsContact C-N 3.29Å; N366-K368 PolarHBondContact O-N 2.94Å; K368-C386 WeakPolarHBondContact CD-SG 3.15Å; K368-Y387 WeakPolarHBondContact CA-O 3.43Å; K368-Y387 VanDerWaalsContact CB-O 3.31Å; K368-Y387 WeakPolarHBondContact CB-O 3.37Å; K368-D388 HydrophobicContact CD-CB 4.37Å; K368-D388 IonicContact NZ-OD2 2.75Å
369	L	98.4	Very high	94.7	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	122.3	174.4	172.5	64.5	0	0	0	109	C386 Y387 W394 T601 V603 Y608 V610 V622	L369-C386 CarbonylContact O-C 3.55Å; L369-C386 WeakPolarHBondContact O-CA 3.41Å; L369-Y387 HydrophobicContact CB-CD1 4.48Å; L369-Y387 PolarHBondContact N-O 3.1Å; L369-Y387 VanDerWaalsContact N-O 3.1Å; L369-Y387 PolarHBondContact O-N 3.4Å; L369-W394 HydrophobicContact CD2-CH2 4.07Å; L369-W394 HydrophobicContact CG-CH2 4.4Å; L369-T601 HydrophobicContact CD1-CG2 3.95Å; L369-V603 HydrophobicContact CB-CG2 3.79Å; L369-V603 HydrophobicContact CD1-CG2 4.25Å; L369-Y608 HydrophobicContact CD2-CG 4.31Å; L369-V610 HydrophobicContact CD2-CB 4.19Å; L369-V610 HydrophobicContact CD2-CG1 3.99Å; L369-V622 HydrophobicContact CD2-CG2 4.46Å
370	I	98.6	Very high	94.5	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.2	175.5	-50.4	-56.2	0	0	0	109.2	T362 A363 L365 V384 C386 I397 M409 L416	T362-I370 WeakPolarHBondContact CA-O 3.44Å; A363-I370 PolarHBondContact N-O 3.2Å; A363-I370 PolarHBondContact O-N 3.41Å; L365-I370 HydrophobicContact CB-CD1 4.32Å; L365-I370 HydrophobicContact CB-CG1 3.78Å; I370-V384 HydrophobicContact CG2-CG1 3.59Å; I370-C386 HydrophobicContact CD1-CB 3.79Å; I370-C386 VanDerWaalsContact CD1-SG 3.54Å; I370-I397 HydrophobicContact CD1-CD1 4.39Å; I370-I397 HydrophobicContact CG2-CD1 4.25Å; I370-M409 HydrophobicContact CB-CE 4.08Å; I370-M409 HydrophobicContact CG2-CE 3.93Å; I370-L416 HydrophobicContact CB-CD1 4.37Å; I370-L416 HydrophobicContact CG1-CD1 4.24Å; I370-L416 HydrophobicContact CG2-CD1 3.85Å
371	A	98.6	Very high	94.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	102.1	175.7	0	0	0	0	0	109.4	M353 L360 V384 E385 W394	M353-A371 HydrophobicContact SD-CB 3.63Å; L360-A371 HydrophobicContact CD1-CB 3.82Å; A371-V384 WeakPolarHBondContact O-CA 3.21Å; A371-E385 PolarHBondContact N-O 3.11Å; A371-E385 PolarHBondContact O-N 3.39Å; A371-W394 HydrophobicContact CB-CH2 4.15Å; A371-W394 HydrophobicContact CB-CZ3 3.88Å
372	A	98.4	Very high	94.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.6	-173.3	0	0	0	0	0	112	G361 V384 F407 M409	G361-A372 PolarHBondContact N-O 3.45Å; G361-A372 PolarHBondContact O-N 2.93Å; A372-V384 HydrophobicContact CB-CB 4.47Å; A372-V384 HydrophobicContact CB-CG1 3.87Å; A372-V384 HydrophobicContact CB-CG2 3.97Å; A372-F407 HydrophobicContact CB-CZ 4.19Å; A372-F407 VanDerWaalsContact O-CZ 3.26Å; A372-F407 WeakPolarHBondContact O-CZ 3.35Å; A372-M409 HydrophobicContact CB-CE 4.26Å; A372-M409 HydrophobicContact CB-SD 4.01Å
373	G	97.6	Very high	94.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.224	C	C	.	.			trans	58.9	-134.7	173.6	0	0	0	0	0	113.9	R357 L381 T383 M400 R404	R357-G373 WeakPolarHBondContact CD-O 3.1Å; R357-G373 PolarHBondContact NH1-O 3.47Å; G373-L381 VanDerWaalsContact CA-O 3.27Å; G373-L381 WeakPolarHBondContact CA-O 3.21Å; G373-T383 PolarHBondContact N-O 3.02Å; G373-M400 VanDerWaalsContact CA-CE 3.48Å; G373-R404 WeakPolarHBondContact CA-O 2.86Å
374	G	96.5	Very high	94.3	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.			trans	90.8	-170.1	-170.8	0	0	0	0	0	111.8	S358 L381 R404	S358-G374 CarbonylContact O-C 3.56Å; S358-G374 WeakPolarHBondContact O-CA 3.12Å; G374-L381 PolarHBondContact O-N 2.85Å; G374-R404 PolarHBondContact N-O 2.64Å
375	Y	93.3	Very high	94.4	Very high	58 Å²	58	42.6 Å²	42.6	23%	0.227	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-141.4	159.5	177	70.6	-74.5	0	0	0	110.7	S358 E379 A405 R406 F618	S358-Y375 PolarHBondContact N-O 2.99Å; S358-Y375 WeakPolarHBondContact O-CD1 3.08Å; S358-Y375 WeakPolarHBondContact O-CE1 3.44Å; S358-Y375 PolarHBondContact O-N 3.29Å; Y375-E379 WeakPolarHBondContact CA-O 3.35Å; Y375-A405 HydrophobicContact CD1-CB 3.79Å; Y375-A405 HydrophobicContact CG-CB 4.31Å; Y375-R406 HydrophobicContact CE1-CG 4.38Å; Y375-F618 AromaticContact CD2-CE1 3.67Å; Y375-F618 HydrophobicContact CD2-CE1 3.67Å; Y375-F618 AromaticContact CD2-CZ 3.93Å; Y375-F618 HydrophobicContact CD2-CZ 3.93Å; Y375-F618 AromaticContact CE2-CE1 3.36Å; Y375-F618 HydrophobicContact CE2-CE1 3.36Å; Y375-F618 AromaticContact CE2-CZ 3.54Å; Y375-F618 HydrophobicContact CE2-CZ 3.54Å; Y375-F618 HydrophobicContact CG-CE1 4.43Å; Y375-F618 AromaticContact CZ-CE1 3.89Å; Y375-F618 WeakPolarHBondContact O-CD1 3.4Å
376	N	89.8	Confident	94.5	Very high	19 Å²	19	42.2 Å²	42.2	10%	0.102	20%	0.203	C	C	.	.			trans	-132.7	-163.2	171.1	60.2	31.5	0	0	0	109.6	A356 E378 E379 F618	A356-N376 HydrophobicContact CB-CB 4.35Å; N376-E378 VanDerWaalsContact C-N 3.26Å; N376-E378 PolarHBondContact O-N 2.71Å; N376-E378 WeakPolarHBondContact OD1-CA 3.26Å; N376-E378 WeakPolarHBondContact OD1-CB 3.03Å; N376-E378 PolarHBondContact OD1-N 3.19Å; N376-E379 PolarHBondContact N-O 2.9Å; N376-E379 VanDerWaalsContact N-O 3.11Å; N376-E379 PolarHBondContact OD1-N 3.36Å; N376-E379 PolarHBondContact OD1-O 3.26Å; N376-F618 HydrophobicContact CB-CB 4.25Å; N376-F618 HydrophobicContact CB-CD1 4.47Å; N376-F618 HydrophobicContact CB-CG 4.22Å
377	R	80.6	Confident	94.7	Very high	132 Å²	132	36.1 Å²	36.1	50%	0.498	17%	0.17	S	C	.	.	S	Bend	trans	-65.5	-29.1	178.2	-67.6	-174.5	179.8	-170.7	-0.2	113	E218 N616 F618	E218-R377 IonicContact OE1-CZ 3Å; E218-R377 VanDerWaalsContact OE1-CZ 3.23Å; E218-R377 IonicContact OE1-NH1 2.85Å; E218-R377 PolarHBondContact OE1-NH1 2.88Å; E218-R377 IonicContact OE1-NH2 2.68Å; E218-R377 PolarHBondContact OE1-NH2 2.71Å; E218-R377 IonicContact OE2-CZ 3.26Å; E218-R377 IonicContact OE2-NH1 2.75Å; E218-R377 PolarHBondContact OE2-NH1 3.4Å; E218-R377 IonicContact OE2-NH2 3.24Å; R377-N616 PolarHBondContact NH2-O 3.32Å; R377-F618 HydrophobicContact CG-CD2 3.61Å; R377-F618 HydrophobicContact CG-CE2 3.6Å
378	E	82.7	Confident	94.8	Very high	171 Å²	171	35.1 Å²	35.1	80%	0.799	16%	0.157	S	C	*	.	S	Bend	trans	-91.7	-46.9	-171	-59.6	177.1	-176.5	0	0	111.9	N376	N376-E378 VanDerWaalsContact C-N 3.26Å; N376-E378 PolarHBondContact O-N 2.71Å; N376-E378 WeakPolarHBondContact OD1-CA 3.26Å; N376-E378 WeakPolarHBondContact OD1-CB 3.03Å; N376-E378 PolarHBondContact OD1-N 3.19Å
379	E	87.6	Confident	94.6	Very high	99 Å²	99	33.3 Å²	33.3	46%	0.463	15%	0.152	S	C	.	.			trans	-154.9	165.6	-168.5	63.5	175.7	177.5	0	0	114.9	Y375 N376 L381	Y375-E379 WeakPolarHBondContact CA-O 3.35Å; N376-E379 PolarHBondContact N-O 2.9Å; N376-E379 VanDerWaalsContact N-O 3.11Å; N376-E379 PolarHBondContact OD1-N 3.36Å; N376-E379 PolarHBondContact OD1-O 3.26Å; E379-L381 HydrophobicContact CG-CD2 3.75Å; E379-L381 WeakPolarHBondContact OE1-CD2 3.23Å
380	C	91.7	Very high	94.2	Very high	19 Å²	19	42 Å²	42	13%	0.128	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-86.5	132.5	162.1	-171.4	0	0	0	0	108.9	P403 S422	C380-P403 HydrophobicContact CB-CB 4.03Å; C380-P403 WeakPolarHBondContact O-CB 3.44Å; C380-S422 PolarHBondContact SG-O 2.98Å
381	L	95.4	Very high	93.9	Very high	3 Å²	3	49 Å²	49	2%	0.016	22%	0.223	C	C	.	.			trans	-97.8	140.7	-169.9	-59.9	168.4	0	0	0	111.3	Y355 R357 G373 G374 E379 R404	Y355-L381 HydrophobicContact CD1-CD2 4.01Å; Y355-L381 HydrophobicContact CE1-CD2 4.49Å; Y355-L381 HydrophobicContact CG-CD1 4.5Å; Y355-L381 HydrophobicContact CG-CD2 4.35Å; R357-L381 HydrophobicContact CG-CD1 3.8Å; G373-L381 VanDerWaalsContact CA-O 3.27Å; G373-L381 WeakPolarHBondContact CA-O 3.21Å; G374-L381 PolarHBondContact O-N 2.85Å; E379-L381 HydrophobicContact CG-CD2 3.75Å; E379-L381 WeakPolarHBondContact OE1-CD2 3.23Å; L381-R404 PolarHBondContact O-N 3.25Å
382	R	95.5	Very high	93.7	Very high	107 Å²	107	49.4 Å²	49.4	40%	0.404	23%	0.225	S	C	.	.			trans	-105.3	-13.3	167.1	64.9	179.8	-68	-128.8	-3.6	113.6	P399 M400 P403	R382-P399 HydrophobicContact CG-CB 4.36Å; R382-P399 WeakPolarHBondContact O-CA 3.41Å; R382-M400 PolarHBondContact NE-O 3.35Å; R382-M400 PolarHBondContact NH2-O 3.21Å; R382-M400 PolarHBondContact O-N 3.13Å; R382-P403 HydrophobicContact CB-CB 4.44Å; R382-P403 HydrophobicContact CB-CG 4.18Å
383	T	97.9	Very high	93.5	Very high	32 Å²	32	51.3 Å²	51.3	20%	0.196	24%	0.238	C	C	.	.			trans	-67.9	149.5	-177.1	53.2	0	0	0	0	110.8	Y355 R357 G373	Y355-T383 HydrophobicContact CE2-CG2 4.41Å; R357-T383 PolarHBondContact NH1-O 3.47Å; R357-T383 PolarHBondContact NH1-OG1 3.02Å; R357-T383 PolarHBondContact NH2-OG1 3.16Å; G373-T383 PolarHBondContact N-O 3.02Å
384	V	98.7	Very high	93.6	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	119.3	179.2	-172.3	0	0	0	0	108.5	I370 A371 A372 F396 I397 M400 W442	I370-V384 HydrophobicContact CG2-CG1 3.59Å; A371-V384 WeakPolarHBondContact O-CA 3.21Å; A372-V384 HydrophobicContact CB-CB 4.47Å; A372-V384 HydrophobicContact CB-CG1 3.87Å; A372-V384 HydrophobicContact CB-CG2 3.97Å; V384-F396 WeakPolarHBondContact O-CA 3.48Å; V384-I397 HydrophobicContact CB-CD1 4.29Å; V384-I397 HydrophobicContact CB-CG1 3.71Å; V384-I397 HydrophobicContact CG1-CD1 3.59Å; V384-I397 HydrophobicContact CG1-CG1 3.54Å; V384-I397 PolarHBondContact O-N 3.29Å; V384-I397 VanDerWaalsContact O-N 3.13Å; V384-M400 HydrophobicContact CG2-CG 4.09Å; V384-W442 HydrophobicContact CG2-CZ2 3.94Å
385	E	98.6	Very high	93.6	Very high	3 Å²	3	56.3 Å²	56.3	1%	0.014	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.5	-179.3	-73.3	179.4	-103.5	0	0	110.3	M353 Q354 Y355 R357 A371 W394 T395 F396	M353-E385 WeakPolarHBondContact CA-OE2 3.27Å; M353-E385 WeakPolarHBondContact CB-OE2 3.38Å; Q354-E385 PolarHBondContact N-OE2 3.41Å; Y355-E385 PolarHBondContact N-OE1 3.26Å; R357-E385 IonicContact CZ-OE1 2.91Å; R357-E385 VanDerWaalsContact CZ-OE1 3.26Å; R357-E385 IonicContact NE-OE1 2.53Å; R357-E385 PolarHBondContact NE-OE1 2.89Å; R357-E385 IonicContact NH2-OE1 2.71Å; R357-E385 PolarHBondContact NH2-OE1 2.69Å; A371-E385 PolarHBondContact N-O 3.11Å; A371-E385 PolarHBondContact O-N 3.39Å; E385-W394 HydrophobicContact CB-CE3 3.59Å; E385-W394 HydrophobicContact CB-CZ3 3.93Å; E385-T395 CarbonylContact C-O 3.58Å; E385-T395 WeakPolarHBondContact CA-O 3.39Å; E385-F396 HydrophobicContact CG-CD1 3.7Å; E385-F396 HydrophobicContact CG-CE1 3.34Å; E385-F396 HydrophobicContact CG-CZ 4.08Å
386	C	98.4	Very high	93.8	Very high	6 Å²	6	58.2 Å²	58.2	4%	0.041	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	115	-176.9	174.6	0	0	0	0	109.1	K368 L369 I370 W394 T395 I397	K368-C386 WeakPolarHBondContact CD-SG 3.15Å; L369-C386 CarbonylContact O-C 3.55Å; L369-C386 WeakPolarHBondContact O-CA 3.41Å; I370-C386 HydrophobicContact CD1-CB 3.79Å; I370-C386 VanDerWaalsContact CD1-SG 3.54Å; C386-W394 WeakPolarHBondContact O-CA 3.38Å; C386-T395 PolarHBondContact N-O 3.13Å; C386-T395 PolarHBondContact O-N 3.35Å; C386-T395 PolarHBondContact O-OG1 3.36Å; C386-I397 HydrophobicContact CB-CG2 4.01Å
387	Y	98.4	Very high	94.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.5	177.4	-178.3	-112.6	0	0	0	111	M350 K368 L369 P389 D392 W394 Y608	M350-Y387 HydrophobicContact CE-CE1 3.93Å; M350-Y387 WeakPolarHBondContact CE-OH 3.45Å; K368-Y387 WeakPolarHBondContact CA-O 3.43Å; K368-Y387 VanDerWaalsContact CB-O 3.31Å; K368-Y387 WeakPolarHBondContact CB-O 3.37Å; L369-Y387 HydrophobicContact CB-CD1 4.48Å; L369-Y387 PolarHBondContact N-O 3.1Å; L369-Y387 VanDerWaalsContact N-O 3.1Å; L369-Y387 PolarHBondContact O-N 3.4Å; Y387-P389 HydrophobicContact CD1-CG 4Å; Y387-P389 HydrophobicContact CE1-CB 4.1Å; Y387-P389 HydrophobicContact CE1-CG 4.03Å; Y387-P389 WeakPolarHBondContact O-CD 3.36Å; Y387-D392 VanDerWaalsContact CE2-OD1 3.23Å; Y387-D392 WeakPolarHBondContact CE2-OD1 3.13Å; Y387-D392 VanDerWaalsContact CZ-OD1 3.3Å; Y387-D392 PolarHBondContact OH-OD1 3.46Å; Y387-W394 AromaticContact CD2-CD1 3.67Å; Y387-W394 AromaticContact CD2-CD2 3.87Å; Y387-W394 HydrophobicContact CD2-CD2 3.87Å; Y387-W394 AromaticContact CD2-CE2 3.51Å; Y387-W394 AromaticContact CD2-CG 3.98Å; Y387-W394 HydrophobicContact CD2-CG 3.98Å; Y387-W394 HydrophobicContact CD2-CZ2 4.05Å; Y387-W394 AromaticContact CD2-NE1 3.34Å; Y387-W394 VanDerWaalsContact CD2-NE1 3.34Å; Y387-W394 AromaticContact CE2-NE1 3.89Å; Y387-W394 HydrophobicContact CG-CD2 4.19Å; Y387-W394 AromaticContact CG-CE2 3.84Å; Y387-W394 HydrophobicContact CG-CH2 4.37Å; Y387-W394 AromaticContact CG-CZ2 3.94Å; Y387-W394 HydrophobicContact CG-CZ2 3.94Å; Y387-Y608 AromaticContact CE1-CE1 3.98Å; Y387-Y608 HydrophobicContact CE1-CE1 3.98Å
388	D	96.3	Very high	95	Very high	15 Å²	15	53 Å²	53	8%	0.08	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	104.9	172.3	-173.7	-27.1	0	0	0	109.2	K368 Q390 K391 D392 S393	K368-D388 HydrophobicContact CD-CB 4.37Å; K368-D388 IonicContact NZ-OD2 2.75Å; D388-Q390 PolarHBondContact O-N 3.49Å; D388-Q390 WeakPolarHBondContact OD1-CB 3.29Å; D388-Q390 PolarHBondContact OD1-N 3.29Å; D388-K391 HydrophobicContact CB-CB 4.31Å; D388-K391 PolarHBondContact O-N 3.38Å; D388-K391 PolarHBondContact OD1-N 3.16Å; D388-K391 WeakPolarHBondContact OD2-CD 3.23Å; D388-K391 IonicContact OD2-NZ 3.76Å; D388-D392 PolarHBondContact O-N 2.92Å; D388-S393 PolarHBondContact N-O 2.73Å
389	P	93.1	Very high	95.7	Very high	31 Å²	31	47.3 Å²	47.3	20%	0.201	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-23.3	-177.8	-24	35.1	0	0	0	114.3	Y387 V603 Y608	Y387-P389 HydrophobicContact CD1-CG 4Å; Y387-P389 HydrophobicContact CE1-CB 4.1Å; Y387-P389 HydrophobicContact CE1-CG 4.03Å; Y387-P389 WeakPolarHBondContact O-CD 3.36Å; P389-V603 HydrophobicContact CG-CG1 4.22Å; P389-Y608 WeakPolarHBondContact CB-OH 3.47Å
390	Q	91.3	Very high	96.1	Very high	185 Å²	185	42.6 Å²	42.6	86%	0.864	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-29.9	179.9	-60.3	-176.1	-1.3	0	0	111.7	D388	D388-Q390 PolarHBondContact O-N 3.49Å; D388-Q390 WeakPolarHBondContact OD1-CB 3.29Å; D388-Q390 PolarHBondContact OD1-N 3.29Å
391	K	91.7	Very high	96	Very high	150 Å²	150	48.7 Å²	48.7	65%	0.652	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-13.4	-178.8	-63.1	179.1	-172.9	166.5	0	113.3	D388 S393	D388-K391 HydrophobicContact CB-CB 4.31Å; D388-K391 PolarHBondContact O-N 3.38Å; D388-K391 PolarHBondContact OD1-N 3.16Å; D388-K391 WeakPolarHBondContact OD2-CD 3.23Å; D388-K391 IonicContact OD2-NZ 3.76Å; K391-S393 VanDerWaalsContact C-N 3.35Å; K391-S393 WeakPolarHBondContact CB-OG 3.28Å
392	D	94	Very high	95.7	Very high	7 Å²	7	50.8 Å²	50.8	4%	0.037	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	57	-168.8	-173.7	30.6	0	0	0	111.4	K348 S351 Y387 D388 T636	K348-D392 WeakPolarHBondContact CE-OD2 3.33Å; K348-D392 IonicContact NZ-OD2 2.87Å; K348-D392 PolarHBondContact NZ-OD2 3.32Å; S351-D392 PolarHBondContact N-OD1 3.3Å; S351-D392 PolarHBondContact N-OD2 3.22Å; S351-D392 PolarHBondContact OG-O 2.91Å; S351-D392 VanDerWaalsContact OG-O 3.12Å; Y387-D392 VanDerWaalsContact CE2-OD1 3.23Å; Y387-D392 WeakPolarHBondContact CE2-OD1 3.13Å; Y387-D392 VanDerWaalsContact CZ-OD1 3.3Å; Y387-D392 PolarHBondContact OH-OD1 3.46Å; D388-D392 PolarHBondContact O-N 2.92Å; D392-T636 HydrophobicContact CB-CG2 4Å; D392-T636 WeakPolarHBondContact OD2-CG2 3.2Å
393	S	95.3	Very high	95.5	Very high	40 Å²	40	47.6 Å²	47.6	28%	0.28	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	138.8	-177.1	65.9	0	0	0	0	111.5	D388 K391	D388-S393 PolarHBondContact N-O 2.73Å; K391-S393 VanDerWaalsContact C-N 3.35Å; K391-S393 WeakPolarHBondContact CB-OG 3.28Å
394	W	98.1	Very high	95.2	Very high	37 Å²	37	46 Å²	46	14%	0.14	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	142.7	170.1	-67.8	90.4	0	0	0	110.9	S351 M353 L369 A371 E385 C386 Y387 V610 V622	S351-W394 VanDerWaalsContact O-CD1 3.27Å; S351-W394 PolarHBondContact O-NE1 3.31Å; M353-W394 HydrophobicContact CG-CD2 3.82Å; M353-W394 HydrophobicContact CG-CE3 3.94Å; M353-W394 HydrophobicContact CG-CH2 3.5Å; M353-W394 HydrophobicContact CG-CZ2 3.38Å; M353-W394 HydrophobicContact CG-CZ3 3.78Å; M353-W394 HydrophobicContact SD-CH2 3.84Å; M353-W394 HydrophobicContact SD-CZ2 4.24Å; M353-W394 HydrophobicContact SD-CZ3 4.14Å; L369-W394 HydrophobicContact CD2-CH2 4.07Å; L369-W394 HydrophobicContact CG-CH2 4.4Å; A371-W394 HydrophobicContact CB-CH2 4.15Å; A371-W394 HydrophobicContact CB-CZ3 3.88Å; E385-W394 HydrophobicContact CB-CE3 3.59Å; E385-W394 HydrophobicContact CB-CZ3 3.93Å; C386-W394 WeakPolarHBondContact O-CA 3.38Å; Y387-W394 AromaticContact CD2-CD1 3.67Å; Y387-W394 AromaticContact CD2-CD2 3.87Å; Y387-W394 HydrophobicContact CD2-CD2 3.87Å; Y387-W394 AromaticContact CD2-CE2 3.51Å; Y387-W394 AromaticContact CD2-CG 3.98Å; Y387-W394 HydrophobicContact CD2-CG 3.98Å; Y387-W394 HydrophobicContact CD2-CZ2 4.05Å; Y387-W394 AromaticContact CD2-NE1 3.34Å; Y387-W394 VanDerWaalsContact CD2-NE1 3.34Å; Y387-W394 AromaticContact CE2-NE1 3.89Å; Y387-W394 HydrophobicContact CG-CD2 4.19Å; Y387-W394 AromaticContact CG-CE2 3.84Å; Y387-W394 HydrophobicContact CG-CH2 4.37Å; Y387-W394 AromaticContact CG-CZ2 3.94Å; Y387-W394 HydrophobicContact CG-CZ2 3.94Å; W394-V610 HydrophobicContact CH2-CG2 3.85Å; W394-V610 HydrophobicContact CZ2-CG2 3.92Å; W394-V622 HydrophobicContact CZ2-CB 4.41Å
395	T	97.8	Very high	94.9	Very high	68 Å²	68	46.1 Å²	46.1	42%	0.417	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153.1	174.3	50.6	0	0	0	0	109.3	E385 C386	E385-T395 CarbonylContact C-O 3.58Å; E385-T395 WeakPolarHBondContact CA-O 3.39Å; C386-T395 PolarHBondContact N-O 3.13Å; C386-T395 PolarHBondContact O-N 3.35Å; C386-T395 PolarHBondContact O-OG1 3.36Å
396	F	98	Very high	94.6	Very high	98 Å²	98	51 Å²	51	43%	0.43	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	141.2	171.5	-67.8	-75.2	0	0	0	110.7	Q354 Y355 V384 E385	Q354-F396 HydrophobicContact CB-CZ 4.1Å; Q354-F396 HydrophobicContact CG-CZ 4.4Å; Y355-F396 HydrophobicContact CD2-CE1 4.23Å; Y355-F396 HydrophobicContact CD2-CZ 4.2Å; Y355-F396 HydrophobicContact CE2-CE1 4.05Å; Y355-F396 AromaticContact CE2-CZ 3.81Å; Y355-F396 HydrophobicContact CE2-CZ 3.81Å; V384-F396 WeakPolarHBondContact O-CA 3.48Å; E385-F396 HydrophobicContact CG-CD1 3.7Å; E385-F396 HydrophobicContact CG-CE1 3.34Å; E385-F396 HydrophobicContact CG-CZ 4.08Å
397	I	97.3	Very high	94.3	Very high	28 Å²	28	51.1 Å²	51.1	14%	0.144	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	178.5	159.7	65	179.2	0	0	0	108.5	I370 V384 C386 Y435	I370-I397 HydrophobicContact CD1-CD1 4.39Å; I370-I397 HydrophobicContact CG2-CD1 4.25Å; V384-I397 HydrophobicContact CB-CD1 4.29Å; V384-I397 HydrophobicContact CB-CG1 3.71Å; V384-I397 HydrophobicContact CG1-CD1 3.59Å; V384-I397 HydrophobicContact CG1-CG1 3.54Å; V384-I397 PolarHBondContact O-N 3.29Å; V384-I397 VanDerWaalsContact O-N 3.13Å; C386-I397 HydrophobicContact CB-CG2 4.01Å; I397-Y435 HydrophobicContact CD1-CE1 3.94Å; I397-Y435 HydrophobicContact CD1-CE2 4.17Å
398	A	97.4	Very high	94.1	Very high	13 Å²	13	53.2 Å²	53.2	11%	0.107	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-51.4	131.3	-177.9	0	0	0	0	0	111.9	Y435 D440 W442	A398-Y435 HydrophobicContact CB-CE2 4.27Å; A398-D440 WeakPolarHBondContact CB-O 3.42Å; A398-D440 VanDerWaalsContact CB-OD1 3.26Å; A398-D440 WeakPolarHBondContact CB-OD1 3.49Å; A398-D440 PolarHBondContact N-OD1 3.49Å; A398-W442 PolarHBondContact O-NE1 3.02Å
399	P	97.4	Very high	94.1	Very high	52 Å²	52	53.2 Å²	53.2	34%	0.338	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-71.1	147.8	177.9	29.8	-34.4	0	0	0	110.2	R382	R382-P399 HydrophobicContact CG-CB 4.36Å; R382-P399 WeakPolarHBondContact O-CA 3.41Å
400	M	95.4	Very high	94.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-55.2	154.8	169.3	-66.4	-179.6	-64.5	0	0	110.2	G373 R382 V384 T402 R404 F407 V418 W442	G373-M400 VanDerWaalsContact CA-CE 3.48Å; R382-M400 PolarHBondContact NE-O 3.35Å; R382-M400 PolarHBondContact NH2-O 3.21Å; R382-M400 PolarHBondContact O-N 3.13Å; V384-M400 HydrophobicContact CG2-CG 4.09Å; M400-T402 VanDerWaalsContact C-N 3.3Å; M400-T402 PolarHBondContact O-N 3.46Å; M400-R404 HydrophobicContact CE-CB 3.78Å; M400-R404 HydrophobicContact SD-CB 4.14Å; M400-F407 HydrophobicContact CE-CZ 4.41Å; M400-F407 HydrophobicContact SD-CZ 4.3Å; M400-V418 HydrophobicContact SD-CG1 4.38Å; M400-V418 HydrophobicContact SD-CG2 3.97Å; M400-W442 HydrophobicContact CG-CD2 3.99Å; M400-W442 HydrophobicContact CG-CE3 4.29Å; M400-W442 HydrophobicContact CG-CH2 4.11Å; M400-W442 HydrophobicContact CG-CZ2 3.79Å; M400-W442 HydrophobicContact CG-CZ3 4.36Å
401	R	89.9	Confident	94.5	Very high	148 Å²	148	45.9 Å²	45.9	56%	0.558	23%	0.227	S	C	*	.	S	Bend	trans	-64.4	-38	-178.9	-65.7	176.1	141.2	-128.5	-8.4	111.8	E433 W442	R401-E433 VanDerWaalsContact CB-OE2 3.25Å; R401-E433 WeakPolarHBondContact CB-OE2 3.39Å; R401-E433 WeakPolarHBondContact CG-OE2 3.44Å; R401-E433 PolarHBondContact N-OE2 2.98Å; R401-W442 HydrophobicContact CG-CB 4.4Å; R401-W442 PolarHBondContact NE-O 3.41Å
402	T	88.5	Confident	94.7	Very high	46 Å²	46	39 Å²	39	28%	0.282	20%	0.197	S	C	.	.	S	Bend	trans	-125.2	146.9	178.4	51.2	0	0	0	0	111.2	M400 R404 E433	M400-T402 VanDerWaalsContact C-N 3.3Å; M400-T402 PolarHBondContact O-N 3.46Å; T402-R404 PolarHBondContact O-N 3.46Å; T402-E433 PolarHBondContact OG1-OE1 2.85Å
403	P	92.2	Very high	94.6	Very high	40 Å²	40	44.8 Å²	44.8	26%	0.26	23%	0.225	S	C	.	.			trans	-52.5	137.4	167.5	-27.4	36.6	0	0	0	111.7	C380 R382 N423	C380-P403 HydrophobicContact CB-CB 4.03Å; C380-P403 WeakPolarHBondContact O-CB 3.44Å; R382-P403 HydrophobicContact CB-CB 4.44Å; R382-P403 HydrophobicContact CB-CG 4.18Å; P403-N423 VanDerWaalsContact O-CA 3.26Å; P403-N423 WeakPolarHBondContact O-CA 3.23Å; P403-N423 WeakPolarHBondContact O-CB 3.32Å
404	R	91.9	Very high	94.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.233	C	C	.	.			trans	-147.7	128.6	-176.4	-165.5	-176.2	-65	-93.5	0.5	110.6	G373 G374 L381 M400 T402 F407 G420 L429 C431 E433	G373-R404 WeakPolarHBondContact CA-O 2.86Å; G374-R404 PolarHBondContact N-O 2.64Å; L381-R404 PolarHBondContact O-N 3.25Å; M400-R404 HydrophobicContact CE-CB 3.78Å; M400-R404 HydrophobicContact SD-CB 4.14Å; T402-R404 PolarHBondContact O-N 3.46Å; R404-F407 HydrophobicContact CB-CD1 4.19Å; R404-F407 HydrophobicContact CB-CE1 4.09Å; R404-F407 HydrophobicContact CG-CB 4.42Å; R404-F407 HydrophobicContact CG-CD1 3.55Å; R404-F407 HydrophobicContact CG-CE1 3.92Å; R404-F407 HydrophobicContact CG-CG 4Å; R404-F407 VanDerWaalsContact O-CE1 3.28Å; R404-F407 WeakPolarHBondContact O-CE1 3.34Å; R404-G420 WeakPolarHBondContact CD-O 3.49Å; R404-G420 PolarHBondContact NH1-O 2.89Å; R404-L429 HydrophobicContact CB-CD1 4.24Å; R404-L429 HydrophobicContact CG-CD1 3.81Å; R404-C431 PolarHBondContact NH1-O 2.88Å; R404-C431 PolarHBondContact NH2-O 3.18Å; R404-E433 IonicContact CZ-OE1 3.56Å; R404-E433 IonicContact NE-OE1 3.64Å; R404-E433 IonicContact NH2-OE1 2.66Å; R404-E433 PolarHBondContact NH2-OE1 3.39Å
405	A	92.6	Very high	94.4	Very high	2 Å²	2	45.3 Å²	45.3	2%	0.017	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-134.2	169.1	173.7	0	0	0	0	0	110.6	Y375 F407 G421 S422	Y375-A405 HydrophobicContact CD1-CB 3.79Å; Y375-A405 HydrophobicContact CG-CB 4.31Å; A405-F407 VanDerWaalsContact C-N 3.29Å; A405-F407 PolarHBondContact O-N 2.97Å; A405-G421 CarbonylContact O-C 3.52Å; A405-G421 WeakPolarHBondContact O-CA 3.33Å; A405-S422 PolarHBondContact N-O 3.16Å; A405-S422 PolarHBondContact O-N 3.4Å
406	R	91.9	Very high	94.4	Very high	105 Å²	105	42 Å²	42	40%	0.396	22%	0.217	S	C	.	.	S	Bend	trans	58.7	40.4	176	-59.4	178.5	178.2	-176	0.6	112.6	G359 Y375 N454	G359-R406 PolarHBondContact O-N 3.49Å; Y375-R406 HydrophobicContact CE1-CG 4.38Å; R406-N454 WeakPolarHBondContact CB-OD1 3.35Å; R406-N454 WeakPolarHBondContact O-CA 3.16Å; R406-N454 PolarHBondContact O-N 2.76Å
407	F	92.6	Very high	94.3	Very high	8 Å²	8	38 Å²	38	4%	0.035	20%	0.199	C	C	.	.			trans	-125.9	163.3	176.8	72.4	-79.1	0	0	0	109.9	A372 M400 R404 A405 M409 V418	A372-F407 HydrophobicContact CB-CZ 4.19Å; A372-F407 VanDerWaalsContact O-CZ 3.26Å; A372-F407 WeakPolarHBondContact O-CZ 3.35Å; M400-F407 HydrophobicContact CE-CZ 4.41Å; M400-F407 HydrophobicContact SD-CZ 4.3Å; R404-F407 HydrophobicContact CB-CD1 4.19Å; R404-F407 HydrophobicContact CB-CE1 4.09Å; R404-F407 HydrophobicContact CG-CB 4.42Å; R404-F407 HydrophobicContact CG-CD1 3.55Å; R404-F407 HydrophobicContact CG-CE1 3.92Å; R404-F407 HydrophobicContact CG-CG 4Å; R404-F407 VanDerWaalsContact O-CE1 3.28Å; R404-F407 WeakPolarHBondContact O-CE1 3.34Å; A405-F407 VanDerWaalsContact C-N 3.29Å; A405-F407 PolarHBondContact O-N 2.97Å; F407-M409 HydrophobicContact CE2-CB 4.22Å; F407-V418 HydrophobicContact CD2-CB 3.79Å; F407-V418 HydrophobicContact CD2-CG1 4.03Å; F407-V418 HydrophobicContact CE2-CB 3.61Å; F407-V418 HydrophobicContact CE2-CG1 3.37Å; F407-V418 HydrophobicContact CZ-CB 4.48Å; F407-V418 HydrophobicContact CZ-CG1 4.18Å
408	Q	94.1	Very high	94.1	Very high	45 Å²	45	36.6 Å²	36.6	21%	0.21	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	150.3	164.3	-88.9	179.1	9.6	0	0	109.9	V457 S504	Q408-V457 HydrophobicContact CB-CB 3.87Å; Q408-V457 HydrophobicContact CB-CG2 4.11Å; Q408-S504 PolarHBondContact NE2-O 3.48Å
409	M	95.9	Very high	93.7	Very high	15 Å²	15	36.2 Å²	36.2	7%	0.074	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	142.1	178	-176.2	162.5	67.3	0	0	109.2	T362 A363 I370 A372 F407 L416 Y417 V418	T362-M409 VanDerWaalsContact C-CE 3.47Å; A363-M409 HydrophobicContact CB-CE 3.48Å; A363-M409 VanDerWaalsContact CB-CE 3.48Å; A363-M409 HydrophobicContact CB-CG 4.32Å; I370-M409 HydrophobicContact CB-CE 4.08Å; I370-M409 HydrophobicContact CG2-CE 3.93Å; A372-M409 HydrophobicContact CB-CE 4.26Å; A372-M409 HydrophobicContact CB-SD 4.01Å; F407-M409 HydrophobicContact CE2-CB 4.22Å; M409-L416 HydrophobicContact CE-CD1 4.4Å; M409-L416 HydrophobicContact CG-CB 4.3Å; M409-L416 HydrophobicContact SD-CB 3.95Å; M409-L416 HydrophobicContact SD-CD1 3.99Å; M409-L416 HydrophobicContact SD-CD2 4.41Å; M409-L416 HydrophobicContact SD-CG 4.35Å; M409-Y417 WeakPolarHBondContact CA-O 3.35Å; M409-V418 HydrophobicContact CB-CG1 4.26Å; M409-V418 HydrophobicContact CG-CG1 3.93Å; M409-V418 HydrophobicContact SD-CG1 3.85Å
410	A	96.1	Very high	93.1	Very high	7 Å²	7	33.8 Å²	33.8	6%	0.058	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	150.1	174.4	0	0	0	0	0	110.9	Y417 V457 L464	A410-Y417 PolarHBondContact N-O 3.03Å; A410-Y417 PolarHBondContact O-N 2.76Å; A410-V457 HydrophobicContact CB-CG1 3.98Å; A410-L464 HydrophobicContact CB-CD1 3.61Å
411	V	96.8	Very high	92.7	Very high	54 Å²	54	33.9 Å²	33.9	33%	0.327	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.9	171.8	-171.5	0	0	0	0	108.1	A363 E364 Q415 L416 A459	A363-V411 HydrophobicContact CB-CG2 3.65Å; E364-V411 WeakPolarHBondContact O-CG2 3.47Å; V411-Q415 WeakPolarHBondContact CA-O 3.31Å; V411-L416 HydrophobicContact CG2-CD2 3.87Å; V411-A459 WeakPolarHBondContact O-CB 3.3Å
412	L	95.6	Very high	92.5	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.037	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	121	176.8	177.3	61.5	0	0	0	109	G414 Q415 Y417 A459 L464 P486	L412-G414 PolarHBondContact O-N 3.25Å; L412-Q415 PolarHBondContact N-O 3.26Å; L412-Q415 PolarHBondContact O-N 3.36Å; L412-Y417 HydrophobicContact CB-CD2 3.82Å; L412-Y417 HydrophobicContact CB-CE2 3.78Å; L412-Y417 HydrophobicContact CD2-CE2 4.26Å; L412-Y417 HydrophobicContact CG-CE2 4.29Å; L412-A459 HydrophobicContact CB-CB 4.15Å; L412-A459 HydrophobicContact CD1-CB 4.05Å; L412-L464 HydrophobicContact CD2-CB 4.13Å; L412-P486 HydrophobicContact CD2-CB 4.44Å; L412-P486 HydrophobicContact CD2-CG 3.85Å
413	M	92.9	Very high	92.3	Very high	127 Å²	127	27.1 Å²	27.1	63%	0.626	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	37.4	-179.8	-56.3	-177.8	-176.5	0	0	113.5	Q415 P486	M413-Q415 VanDerWaalsContact C-N 3.3Å; M413-Q415 PolarHBondContact O-N 3.16Å; M413-P486 HydrophobicContact CE-CG 4.33Å
414	G	93.6	Very high	91.3	Very high	43 Å²	43	28.1 Å²	28.1	44%	0.443	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	5.9	179.5	0	0	0	0	0	115.2	L412 P437	L412-G414 PolarHBondContact O-N 3.25Å; G414-P437 WeakPolarHBondContact O-CG 3.41Å
415	Q	95.3	Very high	90.1	Very high	45 Å²	45	35 Å²	35	21%	0.21	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	150.2	178.1	-64.5	169.2	-38.1	0	0	110.3	V411 L412 M413 Y417 M434 Y435	V411-Q415 WeakPolarHBondContact CA-O 3.31Å; L412-Q415 PolarHBondContact N-O 3.26Å; L412-Q415 PolarHBondContact O-N 3.36Å; M413-Q415 VanDerWaalsContact C-N 3.3Å; M413-Q415 PolarHBondContact O-N 3.16Å; Q415-Y417 HydrophobicContact CB-CD2 4.4Å; Q415-Y417 HydrophobicContact CB-CE2 3.82Å; Q415-Y417 PolarHBondContact OE1-OH 2.97Å; Q415-M434 HydrophobicContact CB-CG 4.02Å; Q415-M434 HydrophobicContact CB-SD 4.31Å; Q415-M434 HydrophobicContact CG-SD 4.38Å; Q415-M434 PolarHBondContact OE1-SD 2.69Å; Q415-Y435 WeakPolarHBondContact CB-O 3.26Å
416	L	97.1	Very high	88.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	133	174.7	-49.5	174	0	0	0	109.5	A363 L365 I370 M409 V411 M434 Y435 W442	A363-L416 HydrophobicContact CB-CD2 3.92Å; L365-L416 HydrophobicContact CB-CD2 4.3Å; L365-L416 HydrophobicContact CD1-CD2 4.44Å; L365-L416 HydrophobicContact CD2-CD1 4.07Å; L365-L416 HydrophobicContact CD2-CD2 4.31Å; L365-L416 HydrophobicContact CD2-CG 4.12Å; I370-L416 HydrophobicContact CB-CD1 4.37Å; I370-L416 HydrophobicContact CG1-CD1 4.24Å; I370-L416 HydrophobicContact CG2-CD1 3.85Å; M409-L416 HydrophobicContact CE-CD1 4.4Å; M409-L416 HydrophobicContact CG-CB 4.3Å; M409-L416 HydrophobicContact SD-CB 3.95Å; M409-L416 HydrophobicContact SD-CD1 3.99Å; M409-L416 HydrophobicContact SD-CD2 4.41Å; M409-L416 HydrophobicContact SD-CG 4.35Å; V411-L416 HydrophobicContact CG2-CD2 3.87Å; L416-M434 CarbonylContact O-C 3.54Å; L416-M434 VanDerWaalsContact O-CA 3.23Å; L416-M434 WeakPolarHBondContact O-CA 3.36Å; L416-Y435 HydrophobicContact CD1-CD1 3.8Å; L416-Y435 HydrophobicContact CD1-CG 4.34Å; L416-Y435 HydrophobicContact CG-CD1 4.08Å; L416-Y435 PolarHBondContact N-O 3.13Å; L416-Y435 PolarHBondContact O-N 3.39Å; L416-W442 HydrophobicContact CB-CH2 4.36Å
417	Y	95.1	Very high	86.6	Confident	12 Å²	12	39.6 Å²	39.6	5%	0.047	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.9	174.3	-74	-103.1	0	0	0	109.5	M409 A410 L412 Q415 M434 V445 L464 F484	M409-Y417 WeakPolarHBondContact CA-O 3.35Å; A410-Y417 PolarHBondContact N-O 3.03Å; A410-Y417 PolarHBondContact O-N 2.76Å; L412-Y417 HydrophobicContact CB-CD2 3.82Å; L412-Y417 HydrophobicContact CB-CE2 3.78Å; L412-Y417 HydrophobicContact CD2-CE2 4.26Å; L412-Y417 HydrophobicContact CG-CE2 4.29Å; Q415-Y417 HydrophobicContact CB-CD2 4.4Å; Q415-Y417 HydrophobicContact CB-CE2 3.82Å; Q415-Y417 PolarHBondContact OE1-OH 2.97Å; Y417-M434 HydrophobicContact CD1-CB 4.22Å; Y417-M434 HydrophobicContact CD1-CG 4.33Å; Y417-M434 HydrophobicContact CD2-CG 4.34Å; Y417-M434 HydrophobicContact CE1-CB 4.04Å; Y417-M434 HydrophobicContact CE1-CG 3.91Å; Y417-M434 HydrophobicContact CE1-SD 3.97Å; Y417-M434 HydrophobicContact CE2-CG 3.91Å; Y417-M434 HydrophobicContact CE2-SD 4.12Å; Y417-M434 PolarHBondContact OH-SD 2.9Å; Y417-V445 HydrophobicContact CD1-CG2 4.03Å; Y417-V445 HydrophobicContact CE1-CG2 4.03Å; Y417-L464 HydrophobicContact CD1-CD2 4.12Å; Y417-L464 HydrophobicContact CG-CD2 4.2Å; Y417-F484 HydrophobicContact CE1-CE1 4.39Å
418	V	92.9	Very high	85.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.3	172.6	-55.8	0	0	0	0	108.8	M400 F407 M409 G432 E433 W442	M400-V418 HydrophobicContact SD-CG1 4.38Å; M400-V418 HydrophobicContact SD-CG2 3.97Å; F407-V418 HydrophobicContact CD2-CB 3.79Å; F407-V418 HydrophobicContact CD2-CG1 4.03Å; F407-V418 HydrophobicContact CE2-CB 3.61Å; F407-V418 HydrophobicContact CE2-CG1 3.37Å; F407-V418 HydrophobicContact CZ-CB 4.48Å; F407-V418 HydrophobicContact CZ-CG1 4.18Å; M409-V418 HydrophobicContact CB-CG1 4.26Å; M409-V418 HydrophobicContact CG-CG1 3.93Å; M409-V418 HydrophobicContact SD-CG1 3.85Å; V418-G432 CarbonylContact O-C 3.58Å; V418-G432 WeakPolarHBondContact O-CA 3.19Å; V418-E433 HydrophobicContact CG2-CB 3.71Å; V418-E433 HydrophobicContact CG2-CG 4.48Å; V418-E433 PolarHBondContact N-O 2.86Å; V418-E433 PolarHBondContact O-N 3.27Å; V418-W442 HydrophobicContact CB-CZ3 4.32Å; V418-W442 HydrophobicContact CG1-CH2 3.66Å; V418-W442 HydrophobicContact CG1-CZ3 3.73Å; V418-W442 HydrophobicContact CG2-CE3 4.33Å; V418-W442 HydrophobicContact CG2-CH2 4.3Å; V418-W442 HydrophobicContact CG2-CZ3 3.66Å
419	V	88.9	Confident	83.7	Confident	4 Å²	4	40 Å²	40	2%	0.024	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.4	-170.9	178.3	0	0	0	0	109.9	L448 V457 L464 I466 W491	V419-L448 HydrophobicContact CG1-CD1 3.49Å; V419-L448 VanDerWaalsContact CG1-CD1 3.49Å; V419-L448 HydrophobicContact CG1-CD2 3.69Å; V419-L448 HydrophobicContact CG1-CG 3.78Å; V419-V457 HydrophobicContact CB-CG1 4.45Å; V419-V457 HydrophobicContact CB-CG2 4.19Å; V419-L464 HydrophobicContact CG2-CD2 3.64Å; V419-I466 HydrophobicContact CG1-CG1 3.82Å; V419-W491 HydrophobicContact CG1-CH2 4.45Å
420	G	86.3	Confident	82.3	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.01	25%	0.249	C	C	.	.	S	Bend	trans	73	-156.3	-178.2	0	0	0	0	0	113.7	R404 R452	R404-G420 WeakPolarHBondContact CD-O 3.49Å; R404-G420 PolarHBondContact NH1-O 2.89Å; G420-R452 CarbonylContact C-O 3.54Å; G420-R452 WeakPolarHBondContact CA-O 3.49Å
421	G	87.3	Confident	80.9	Confident	3 Å²	3	42.5 Å²	42.5	3%	0.031	26%	0.26	C	S	.	.			trans	91.9	-168.3	-177.1	0	0	0	0	0	113.8	A405 R452	A405-G421 CarbonylContact O-C 3.52Å; A405-G421 WeakPolarHBondContact O-CA 3.33Å; G421-R452 PolarHBondContact N-O 3.35Å
422	S	85.1	Confident	80.3	Confident	31 Å²	31	40 Å²	40	22%	0.217	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-135.8	147.7	-177.8	58.7	0	0	0	0	111	C380 A405	C380-S422 PolarHBondContact SG-O 2.98Å; A405-S422 PolarHBondContact N-O 3.16Å; A405-S422 PolarHBondContact O-N 3.4Å
423	N	83.4	Confident	80.1	Confident	20 Å²	20	39.8 Å²	39.8	11%	0.107	24%	0.244	C	C	.	.			trans	-100.7	11.4	-178.5	61.7	11.1	0	0	0	114.3	P403 H425 D427 L429	P403-N423 VanDerWaalsContact O-CA 3.26Å; P403-N423 WeakPolarHBondContact O-CA 3.23Å; P403-N423 WeakPolarHBondContact O-CB 3.32Å; N423-H425 PolarHBondContact O-N 3.47Å; N423-H425 PolarHBondContact O-ND1 2.94Å; N423-H425 WeakPolarHBondContact OD1-CA 3.29Å; N423-H425 PolarHBondContact OD1-N 3.21Å; N423-H425 PolarHBondContact OD1-O 3.47Å; N423-D427 PolarHBondContact ND2-O 3.49Å; N423-D427 PolarHBondContact OD1-O 2.88Å; N423-L429 HydrophobicContact CB-CD1 4.12Å; N423-L429 HydrophobicContact CB-CD2 4.21Å; N423-L429 HydrophobicContact CB-CG 4.23Å
424	G	71.9	Confident	80.2	Confident	62 Å²	62	34.8 Å²	34.8	64%	0.639	22%	0.22	S	C	*	.	S	Bend	trans	78.4	-2.7	-176.4	0	0	0	0	0	115.1
425	H	67.1	Low	80.4	Confident	145 Å²	145	33.3 Å²	33.3	67%	0.671	20%	0.201	S	C	*	.	S	Bend	trans	-113.3	168.7	173.4	-61.1	77	0	0	0	109.6	N423 D427	N423-H425 PolarHBondContact O-N 3.47Å; N423-H425 PolarHBondContact O-ND1 2.94Å; N423-H425 WeakPolarHBondContact OD1-CA 3.29Å; N423-H425 PolarHBondContact OD1-N 3.21Å; N423-H425 PolarHBondContact OD1-O 3.47Å; H425-D427 PolarHBondContact O-N 3.04Å
426	S	56.7	Low	80.4	Confident	91 Å²	91	34 Å²	34	64%	0.636	20%	0.204	S	C	*	.	S	Bend	trans	-67.5	0.9	178	55	0	0	0	0	114.4	D428 Y473	S426-D428 PolarHBondContact O-N 3.27Å; S426-Y473 PolarHBondContact O-OH 3.35Å
427	D	54.6	Low	80.2	Confident	112 Å²	112	35.6 Å²	35.6	60%	0.599	21%	0.214	S	C	*	.			trans	-89	101.9	-178.4	-72	-17.8	0	0	0	110.2	N423 H425 L429	N423-D427 PolarHBondContact ND2-O 3.49Å; N423-D427 PolarHBondContact OD1-O 2.88Å; H425-D427 PolarHBondContact O-N 3.04Å; D427-L429 PolarHBondContact O-N 3.13Å
428	D	60	Low	80.2	Confident	48 Å²	48	43.7 Å²	43.7	26%	0.257	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-61.3	127.5	175.7	-67.7	-16.6	0	0	0	111.7	S426 S430 N451 P472 Y473	S426-D428 PolarHBondContact O-N 3.27Å; D428-S430 PolarHBondContact O-N 2.95Å; D428-S430 VanDerWaalsContact O-N 3.15Å; D428-N451 HydrophobicContact CB-CB 3.89Å; D428-N451 WeakPolarHBondContact CB-ND2 3.48Å; D428-P472 HydrophobicContact CB-CG 4.21Å; D428-P472 VanDerWaalsContact CG-CG 3.43Å; D428-P472 WeakPolarHBondContact OD1-CB 3.4Å; D428-P472 VanDerWaalsContact OD1-CG 3.26Å; D428-P472 WeakPolarHBondContact OD1-CG 3.24Å; D428-Y473 PolarHBondContact OD1-OH 3.3Å; D428-Y473 WeakPolarHBondContact OD2-CE2 3.26Å
429	L	66.2	Low	80.3	Confident	13 Å²	13	48.7 Å²	48.7	7%	0.068	28%	0.279	C	S	.	.			trans	-76.2	103.2	177.6	-64.6	173	0	0	0	110.5	R404 N423 D427	R404-L429 HydrophobicContact CB-CD1 4.24Å; R404-L429 HydrophobicContact CG-CD1 3.81Å; N423-L429 HydrophobicContact CB-CD1 4.12Å; N423-L429 HydrophobicContact CB-CD2 4.21Å; N423-L429 HydrophobicContact CB-CG 4.23Å; D427-L429 PolarHBondContact O-N 3.13Å
430	S	64.6	Low	80.7	Confident	33 Å²	33	52.1 Å²	52.1	23%	0.231	30%	0.297	C	S	.	.			trans	-80.2	-22.5	173	62.3	0	0	0	0	113.3	D428 E447 L448 N451	D428-S430 PolarHBondContact O-N 2.95Å; D428-S430 VanDerWaalsContact O-N 3.15Å; S430-E447 WeakPolarHBondContact O-CA 3.46Å; S430-L448 PolarHBondContact O-N 3.16Å; S430-N451 WeakPolarHBondContact CA-OD1 3.35Å; S430-N451 WeakPolarHBondContact CB-OD1 3.26Å
431	C	67.9	Low	81.1	Confident	41 Å²	41	55.7 Å²	55.7	28%	0.277	32%	0.316	S	S	.	.			trans	-100	137.7	-177	63.4	0	0	0	0	112.9	R404 E447	R404-C431 PolarHBondContact NH1-O 2.88Å; R404-C431 PolarHBondContact NH2-O 3.18Å; C431-E447 HydrophobicContact CB-CG 4.46Å
432	G	84.7	Confident	81.6	Confident	3 Å²	3	55.6 Å²	55.6	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	165.9	164	0	0	0	0	0	110.9	V418 V445	V418-G432 CarbonylContact O-C 3.58Å; V418-G432 WeakPolarHBondContact O-CA 3.19Å; G432-V445 PolarHBondContact O-N 3.25Å
433	E	91.6	Very high	81.9	Confident	2 Å²	2	56 Å²	56	1%	0.009	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.8	174.6	-58	170.7	-114.8	0	0	109.5	R401 T402 R404 V418 W442 T443	R401-E433 VanDerWaalsContact CB-OE2 3.25Å; R401-E433 WeakPolarHBondContact CB-OE2 3.39Å; R401-E433 WeakPolarHBondContact CG-OE2 3.44Å; R401-E433 PolarHBondContact N-OE2 2.98Å; T402-E433 PolarHBondContact OG1-OE1 2.85Å; R404-E433 IonicContact CZ-OE1 3.56Å; R404-E433 IonicContact NE-OE1 3.64Å; R404-E433 IonicContact NH2-OE1 2.66Å; R404-E433 PolarHBondContact NH2-OE1 3.39Å; V418-E433 HydrophobicContact CG2-CB 3.71Å; V418-E433 HydrophobicContact CG2-CG 4.48Å; V418-E433 PolarHBondContact N-O 2.86Å; V418-E433 PolarHBondContact O-N 3.27Å; E433-W442 HydrophobicContact CB-CE3 3.63Å; E433-W442 HydrophobicContact CB-CZ3 4.21Å; E433-T443 WeakPolarHBondContact CA-O 3.25Å
434	M	94.3	Very high	82.1	Confident	22 Å²	22	58.5 Å²	58.5	11%	0.108	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.5	177.3	179.4	-169.2	69.7	0	0	109.1	Q415 L416 Y417 E436 W442 T443 V445	Q415-M434 HydrophobicContact CB-CG 4.02Å; Q415-M434 HydrophobicContact CB-SD 4.31Å; Q415-M434 HydrophobicContact CG-SD 4.38Å; Q415-M434 PolarHBondContact OE1-SD 2.69Å; L416-M434 CarbonylContact O-C 3.54Å; L416-M434 VanDerWaalsContact O-CA 3.23Å; L416-M434 WeakPolarHBondContact O-CA 3.36Å; Y417-M434 HydrophobicContact CD1-CB 4.22Å; Y417-M434 HydrophobicContact CD1-CG 4.33Å; Y417-M434 HydrophobicContact CD2-CG 4.34Å; Y417-M434 HydrophobicContact CE1-CB 4.04Å; Y417-M434 HydrophobicContact CE1-CG 3.91Å; Y417-M434 HydrophobicContact CE1-SD 3.97Å; Y417-M434 HydrophobicContact CE2-CG 3.91Å; Y417-M434 HydrophobicContact CE2-SD 4.12Å; Y417-M434 PolarHBondContact OH-SD 2.9Å; M434-E436 HydrophobicContact CE-CG 3.56Å; M434-E436 WeakPolarHBondContact CE-OE1 3.19Å; M434-W442 CarbonylContact O-C 3.58Å; M434-W442 WeakPolarHBondContact O-CA 3.38Å; M434-T443 WeakPolarHBondContact CE-OG1 3.27Å; M434-T443 PolarHBondContact N-O 3.08Å; M434-T443 PolarHBondContact O-N 3.32Å; M434-V445 HydrophobicContact CB-CG2 3.57Å
435	Y	97.4	Very high	82.7	Confident	12 Å²	12	56.1 Å²	56.1	5%	0.047	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.8	174.1	178.3	-108.5	0	0	0	110.7	L365 I397 A398 Q415 L416 P437 D440 W442	L365-Y435 HydrophobicContact CD2-CD1 4.22Å; L365-Y435 HydrophobicContact CD2-CE1 3.99Å; I397-Y435 HydrophobicContact CD1-CE1 3.94Å; I397-Y435 HydrophobicContact CD1-CE2 4.17Å; A398-Y435 HydrophobicContact CB-CE2 4.27Å; Q415-Y435 WeakPolarHBondContact CB-O 3.26Å; L416-Y435 HydrophobicContact CD1-CD1 3.8Å; L416-Y435 HydrophobicContact CD1-CG 4.34Å; L416-Y435 HydrophobicContact CG-CD1 4.08Å; L416-Y435 PolarHBondContact N-O 3.13Å; L416-Y435 PolarHBondContact O-N 3.39Å; Y435-P437 HydrophobicContact CD1-CG 4.05Å; Y435-P437 HydrophobicContact CE1-CB 4Å; Y435-P437 HydrophobicContact CE1-CG 3.89Å; Y435-D440 WeakPolarHBondContact CE2-OD1 3.43Å; Y435-D440 PolarHBondContact OH-OD1 2.67Å; Y435-W442 AromaticContact CD2-CD1 3.86Å; Y435-W442 HydrophobicContact CD2-CD2 4.17Å; Y435-W442 AromaticContact CD2-CE2 3.76Å; Y435-W442 HydrophobicContact CD2-CG 4.26Å; Y435-W442 HydrophobicContact CD2-CZ2 4.26Å; Y435-W442 AromaticContact CD2-NE1 3.53Å; Y435-W442 HydrophobicContact CG-CD2 4.43Å; Y435-W442 HydrophobicContact CG-CZ2 4.15Å
436	E	95	Very high	83	Confident	58 Å²	58	51.9 Å²	51.9	27%	0.271	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	105.8	176.7	-66.2	-171.8	-115.6	0	0	110.2	M434 E438 I439 D440 D441 T443	M434-E436 HydrophobicContact CE-CG 3.56Å; M434-E436 WeakPolarHBondContact CE-OE1 3.19Å; E436-E438 PolarHBondContact O-N 3.19Å; E436-I439 HydrophobicContact CB-CD1 4.07Å; E436-I439 HydrophobicContact CB-CG1 3.7Å; E436-I439 PolarHBondContact O-N 3.37Å; E436-D440 PolarHBondContact O-N 2.94Å; E436-D441 PolarHBondContact N-O 2.91Å; E436-T443 PolarHBondContact OE1-OG1 3.04Å
437	P	94.5	Very high	83.6	Confident	34 Å²	34	53.8 Å²	53.8	22%	0.221	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.6	-172.7	-22.8	33.7	0	0	0	114.4	L365 G414 Y435 I439	L365-P437 HydrophobicContact CD1-CG 4.17Å; L365-P437 HydrophobicContact CD2-CB 4.3Å; L365-P437 HydrophobicContact CD2-CG 3.76Å; L365-P437 HydrophobicContact CG-CG 4.46Å; G414-P437 WeakPolarHBondContact O-CG 3.41Å; Y435-P437 HydrophobicContact CD1-CG 4.05Å; Y435-P437 HydrophobicContact CE1-CB 4Å; Y435-P437 HydrophobicContact CE1-CG 3.89Å; P437-I439 VanDerWaalsContact C-N 3.31Å; P437-I439 PolarHBondContact O-N 3.29Å
438	E	94.4	Very high	84.2	Confident	183 Å²	183	49 Å²	49	86%	0.855	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-27.2	-178.2	-62.1	-58.4	132.8	0	0	113.3	E436	E436-E438 PolarHBondContact O-N 3.19Å
439	I	95.3	Very high	84.4	Confident	105 Å²	105	55.2 Å²	55.2	54%	0.538	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-4.8	-178.3	61.4	170.5	0	0	0	113	E436 P437 D441	E436-I439 HydrophobicContact CB-CD1 4.07Å; E436-I439 HydrophobicContact CB-CG1 3.7Å; E436-I439 PolarHBondContact O-N 3.37Å; P437-I439 VanDerWaalsContact C-N 3.31Å; P437-I439 PolarHBondContact O-N 3.29Å; I439-D441 HydrophobicContact CD1-CB 4.05Å; I439-D441 HydrophobicContact CG1-CB 4.09Å
440	D	95.9	Very high	84.3	Confident	76 Å²	76	57.5 Å²	57.5	41%	0.406	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	58.1	-175.9	-171.3	25.6	0	0	0	111.1	A398 Y435 E436	A398-D440 WeakPolarHBondContact CB-O 3.42Å; A398-D440 VanDerWaalsContact CB-OD1 3.26Å; A398-D440 WeakPolarHBondContact CB-OD1 3.49Å; A398-D440 PolarHBondContact N-OD1 3.49Å; Y435-D440 WeakPolarHBondContact CE2-OD1 3.43Å; Y435-D440 PolarHBondContact OH-OD1 2.67Å; E436-D440 PolarHBondContact O-N 2.94Å
441	D	96.4	Very high	84.7	Confident	76 Å²	76	58.5 Å²	58.5	41%	0.406	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	156.8	179.6	-162.8	17.4	0	0	0	112.5	E436 I439	E436-D441 PolarHBondContact N-O 2.91Å; I439-D441 HydrophobicContact CD1-CB 4.05Å; I439-D441 HydrophobicContact CG1-CB 4.09Å
442	W	95.9	Very high	85.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.6	178	-70.5	86.1	0	0	0	111.6	V384 A398 M400 R401 L416 V418 E433 M434 Y435	V384-W442 HydrophobicContact CG2-CZ2 3.94Å; A398-W442 PolarHBondContact O-NE1 3.02Å; M400-W442 HydrophobicContact CG-CD2 3.99Å; M400-W442 HydrophobicContact CG-CE3 4.29Å; M400-W442 HydrophobicContact CG-CH2 4.11Å; M400-W442 HydrophobicContact CG-CZ2 3.79Å; M400-W442 HydrophobicContact CG-CZ3 4.36Å; R401-W442 HydrophobicContact CG-CB 4.4Å; R401-W442 PolarHBondContact NE-O 3.41Å; L416-W442 HydrophobicContact CB-CH2 4.36Å; V418-W442 HydrophobicContact CB-CZ3 4.32Å; V418-W442 HydrophobicContact CG1-CH2 3.66Å; V418-W442 HydrophobicContact CG1-CZ3 3.73Å; V418-W442 HydrophobicContact CG2-CE3 4.33Å; V418-W442 HydrophobicContact CG2-CH2 4.3Å; V418-W442 HydrophobicContact CG2-CZ3 3.66Å; E433-W442 HydrophobicContact CB-CE3 3.63Å; E433-W442 HydrophobicContact CB-CZ3 4.21Å; M434-W442 CarbonylContact O-C 3.58Å; M434-W442 WeakPolarHBondContact O-CA 3.38Å; Y435-W442 AromaticContact CD2-CD1 3.86Å; Y435-W442 HydrophobicContact CD2-CD2 4.17Å; Y435-W442 AromaticContact CD2-CE2 3.76Å; Y435-W442 HydrophobicContact CD2-CG 4.26Å; Y435-W442 HydrophobicContact CD2-CZ2 4.26Å; Y435-W442 AromaticContact CD2-NE1 3.53Å; Y435-W442 HydrophobicContact CG-CD2 4.43Å; Y435-W442 HydrophobicContact CG-CZ2 4.15Å
443	T	92.1	Very high	85.3	Confident	40 Å²	40	57 Å²	57	25%	0.245	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	141.3	176.7	58.7	0	0	0	0	111.7	E433 M434 E436	E433-T443 WeakPolarHBondContact CA-O 3.25Å; M434-T443 WeakPolarHBondContact CE-OG1 3.27Å; M434-T443 PolarHBondContact N-O 3.08Å; M434-T443 PolarHBondContact O-N 3.32Å; E436-T443 PolarHBondContact OE1-OG1 3.04Å
444	P	88.8	Confident	85.2	Confident	72 Å²	72	57.8 Å²	57.8	47%	0.468	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	135.7	176.8	-21.8	33.5	0	0	0	112.5
445	V	83.7	Confident	85.1	Confident	13 Å²	13	57 Å²	57	8%	0.079	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	144.7	171.3	-178.1	0	0	0	0	108.6	Y417 G432 M434 E447 F484	Y417-V445 HydrophobicContact CD1-CG2 4.03Å; Y417-V445 HydrophobicContact CE1-CG2 4.03Å; G432-V445 PolarHBondContact O-N 3.25Å; M434-V445 HydrophobicContact CB-CG2 3.57Å; V445-E447 PolarHBondContact O-N 3.41Å; V445-F484 HydrophobicContact CG1-CD1 4.49Å; V445-F484 HydrophobicContact CG1-CE1 3.79Å; V445-F484 HydrophobicContact CG1-CE2 4.39Å; V445-F484 HydrophobicContact CG1-CZ 3.74Å
446	P	74.1	Confident	85	Confident	55 Å²	55	56.5 Å²	56.5	36%	0.357	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-47.1	140.5	176.9	-30.4	35.8	0	0	0	113.4	F484 K489	P446-F484 HydrophobicContact CG-CE2 4.39Å; P446-F484 HydrophobicContact CG-CZ 4.49Å; P446-K489 HydrophobicContact CG-CB 4.31Å
447	E	69.1	Low	85	Confident	131 Å²	131	53.9 Å²	53.9	61%	0.612	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-54.7	142.7	-173.9	-65.4	178.1	178.6	0	0	112.6	S430 C431 V445 W491	S430-E447 WeakPolarHBondContact O-CA 3.46Å; C431-E447 HydrophobicContact CB-CG 4.46Å; V445-E447 PolarHBondContact O-N 3.41Å; E447-W491 PolarHBondContact O-NE1 3.5Å
448	L	67.2	Low	85.1	Confident	12 Å²	12	52.9 Å²	52.9	6%	0.063	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-62.6	145.2	166.2	-79.2	164.7	0	0	0	109.7	V419 S430 T450 I466 W491	V419-L448 HydrophobicContact CG1-CD1 3.49Å; V419-L448 VanDerWaalsContact CG1-CD1 3.49Å; V419-L448 HydrophobicContact CG1-CD2 3.69Å; V419-L448 HydrophobicContact CG1-CG 3.78Å; S430-L448 PolarHBondContact O-N 3.16Å; L448-T450 WeakPolarHBondContact CB-O 3.42Å; L448-T450 PolarHBondContact O-N 2.8Å; L448-I466 HydrophobicContact CD2-CG1 4.26Å; L448-W491 HydrophobicContact CD2-CE3 4.42Å; L448-W491 HydrophobicContact CD2-CH2 3.17Å; L448-W491 HydrophobicContact CD2-CZ2 3.59Å; L448-W491 HydrophobicContact CD2-CZ3 3.62Å; L448-W491 HydrophobicContact CG-CH2 4.15Å; L448-W491 HydrophobicContact CG-CZ2 4.14Å
449	R	63.6	Low	85.3	Confident	179 Å²	179	45.2 Å²	45.2	68%	0.675	24%	0.239	S	C	*	.	S	Bend	trans	-61.7	-22.7	171.1	-68.7	-177.8	-175.3	-108.2	4.8	113.1	W491	R449-W491 HydrophobicContact CG-CB 4.36Å; R449-W491 PolarHBondContact NH2-O 3.43Å
450	T	64.2	Low	85.4	Confident	61 Å²	61	40.5 Å²	40.5	37%	0.374	22%	0.215	S	C	.	.	S	Bend	trans	-147	132.3	-178.1	53.7	0	0	0	0	109.9	L448 R452	L448-T450 WeakPolarHBondContact CB-O 3.42Å; L448-T450 PolarHBondContact O-N 2.8Å; T450-R452 PolarHBondContact O-N 3.2Å; T450-R452 PolarHBondContact OG1-NE 3.16Å; T450-R452 PolarHBondContact OG1-NH2 3.3Å
451	N	72.1	Confident	85.4	Confident	53 Å²	53	42.3 Å²	42.3	28%	0.283	23%	0.225	S	C	.	.			trans	-62.4	122.9	171.1	-59	-17.7	0	0	0	109.2	D428 S430 P472	D428-N451 HydrophobicContact CB-CB 3.89Å; D428-N451 WeakPolarHBondContact CB-ND2 3.48Å; S430-N451 WeakPolarHBondContact CA-OD1 3.35Å; S430-N451 WeakPolarHBondContact CB-OD1 3.26Å; N451-P472 HydrophobicContact CB-CG 4.19Å
452	R	82.2	Confident	85.3	Confident	7 Å²	7	40 Å²	40	3%	0.026	22%	0.219	C	C	.	.			trans	-132.2	134.2	-179.8	-67.1	-177.1	-170.6	167	13.5	110.2	G420 G421 T450 A455 S470 L478 D482	G420-R452 CarbonylContact C-O 3.54Å; G420-R452 WeakPolarHBondContact CA-O 3.49Å; G421-R452 PolarHBondContact N-O 3.35Å; T450-R452 PolarHBondContact O-N 3.2Å; T450-R452 PolarHBondContact OG1-NE 3.16Å; T450-R452 PolarHBondContact OG1-NH2 3.3Å; R452-A455 HydrophobicContact CB-CB 4.09Å; R452-S470 WeakPolarHBondContact CA-O 3.33Å; R452-L478 HydrophobicContact CG-CD1 4.27Å; R452-D482 IonicContact CZ-OD2 3.46Å; R452-D482 IonicContact NH1-OD2 2.64Å; R452-D482 PolarHBondContact NH1-OD2 3.37Å; R452-D482 IonicContact NH2-OD2 3.78Å; R452-D482 PolarHBondContact NH2-OD2 2.89Å
453	C	84.8	Confident	85.3	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.034	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-112.6	159.7	164.8	67.9	0	0	0	0	109.9	A455 G469 S470	C453-A455 PolarHBondContact O-N 2.82Å; C453-G469 WeakPolarHBondContact O-CA 3.43Å; C453-S470 PolarHBondContact N-O 3.07Å; C453-S470 PolarHBondContact O-N 2.78Å; C453-S470 PolarHBondContact SG-OG 3.21Å
454	N	89.1	Confident	85.5	Confident	19 Å²	19	41.3 Å²	41.3	10%	0.102	22%	0.222	C	C	.	.	S	Bend	trans	54.1	23.2	-179.4	-56.8	-63.9	0	0	0	114.4	R406 H502 Q503	R406-N454 WeakPolarHBondContact CB-OD1 3.35Å; R406-N454 WeakPolarHBondContact O-CA 3.16Å; R406-N454 PolarHBondContact O-N 2.76Å; N454-H502 HydrophobicContact CB-CB 4.16Å; N454-Q503 HydrophobicContact CB-CB 4.48Å; N454-Q503 HydrophobicContact CB-CG 3.59Å; N454-Q503 VanDerWaalsContact CG-CG 3.5Å; N454-Q503 PolarHBondContact O-N 3.07Å; N454-Q503 WeakPolarHBondContact OD1-CG 3.43Å
455	A	92.3	Very high	85.8	Confident	6 Å²	6	38.6 Å²	38.6	5%	0.05	20%	0.202	C	C	.	.			trans	-79	146.3	174.6	0	0	0	0	0	109.9	R452 C453 I466	R452-A455 HydrophobicContact CB-CB 4.09Å; C453-A455 PolarHBondContact O-N 2.82Å; A455-I466 HydrophobicContact CB-CG2 4.01Å
456	G	94.8	Very high	86.3	Confident	1 Å²	1	38 Å²	38	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	137.9	171	0	0	0	0	0	110.8	I466 V467	G456-I466 CarbonylContact O-C 3.45Å; G456-I466 WeakPolarHBondContact O-CA 3.32Å; G456-V467 PolarHBondContact N-O 3.1Å; G456-V467 PolarHBondContact O-N 3.22Å
457	V	95.1	Very high	87.3	Confident	4 Å²	4	35.4 Å²	35.4	2%	0.024	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	124	-179.4	-176.1	0	0	0	0	108.5	Q408 A410 V419 L464 Y465	Q408-V457 HydrophobicContact CB-CB 3.87Å; Q408-V457 HydrophobicContact CB-CG2 4.11Å; A410-V457 HydrophobicContact CB-CG1 3.98Å; V419-V457 HydrophobicContact CB-CG1 4.45Å; V419-V457 HydrophobicContact CB-CG2 4.19Å; V457-L464 HydrophobicContact CG1-CD1 3.72Å; V457-L464 HydrophobicContact CG1-CD2 4.25Å; V457-L464 HydrophobicContact CG1-CG 4.04Å; V457-Y465 WeakPolarHBondContact CA-O 3.39Å
458	C	97.1	Very high	88.5	Confident	13 Å²	13	29.2 Å²	29.2	9%	0.088	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	147	-177.6	-165.6	0	0	0	0	112	Y465 V506 E508 L513	C458-Y465 PolarHBondContact N-O 3.09Å; C458-Y465 PolarHBondContact O-N 2.61Å; C458-V506 HydrophobicContact CB-CB 4.48Å; C458-V506 HydrophobicContact CB-CG1 3.62Å; C458-E508 PolarHBondContact SG-N 2.81Å; C458-L513 HydrophobicContact CB-CD2 3.93Å
459	A	97.3	Very high	89.6	Confident	22 Å²	22	28.7 Å²	28.7	18%	0.182	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	135.9	175.1	0	0	0	0	0	110.6	V411 L412 K463 E508	V411-A459 WeakPolarHBondContact O-CB 3.3Å; L412-A459 HydrophobicContact CB-CB 4.15Å; L412-A459 HydrophobicContact CD1-CB 4.05Å; A459-K463 WeakPolarHBondContact CA-O 3.41Å; A459-E508 WeakPolarHBondContact O-CB 3.37Å
460	L	97.7	Very high	90.7	Very high	5 Å²	5	20.4 Å²	20.4	3%	0.026	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	133.5	172.3	170	64.3	0	0	0	109.3	G462 K463 Y465 E508 L513 P533	L460-G462 VanDerWaalsContact C-N 3.26Å; L460-G462 PolarHBondContact O-N 3Å; L460-K463 PolarHBondContact N-O 2.62Å; L460-K463 PolarHBondContact O-N 2.81Å; L460-Y465 HydrophobicContact CB-CD2 3.97Å; L460-Y465 HydrophobicContact CB-CE2 3.8Å; L460-Y465 HydrophobicContact CD2-CE2 4.28Å; L460-Y465 HydrophobicContact CG-CE2 4.25Å; L460-E508 HydrophobicContact CB-CG 4.22Å; L460-E508 HydrophobicContact CD1-CG 3.68Å; L460-E508 HydrophobicContact CG-CG 4.48Å; L460-L513 HydrophobicContact CB-CD2 3.82Å; L460-L513 HydrophobicContact CB-CG 4.32Å; L460-L513 HydrophobicContact CD2-CD1 4.32Å; L460-L513 HydrophobicContact CD2-CD2 4.08Å; L460-L513 HydrophobicContact CD2-CG 3.73Å; L460-P533 HydrophobicContact CD2-CB 4.22Å; L460-P533 HydrophobicContact CD2-CG 3.99Å
461	N	95.6	Very high	91.2	Very high	114 Å²	114	20.6 Å²	20.6	61%	0.61	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	42	176.2	-63.1	-24.2	0	0	0	113.9	K463	N461-K463 VanDerWaalsContact C-N 3.25Å; N461-K463 PolarHBondContact O-N 2.85Å
462	G	95.6	Very high	90.7	Very high	29 Å²	29	20 Å²	20	30%	0.299	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	11.4	178.8	0	0	0	0	0	114.8	L460 P486	L460-G462 VanDerWaalsContact C-N 3.26Å; L460-G462 PolarHBondContact O-N 3Å; G462-P486 WeakPolarHBondContact O-CD 3.37Å
463	K	95.9	Very high	89.8	Confident	66 Å²	66	27.5 Å²	27.5	29%	0.287	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	158.3	179.3	-61.7	176	-172.1	-81.9	0	110.7	A459 L460 N461 Y465 V483 F484 D485	A459-K463 WeakPolarHBondContact CA-O 3.41Å; L460-K463 PolarHBondContact N-O 2.62Å; L460-K463 PolarHBondContact O-N 2.81Å; N461-K463 VanDerWaalsContact C-N 3.25Å; N461-K463 PolarHBondContact O-N 2.85Å; K463-Y465 HydrophobicContact CB-CE2 4.14Å; K463-V483 HydrophobicContact CB-CG1 3.63Å; K463-V483 HydrophobicContact CD-CG1 3.73Å; K463-V483 HydrophobicContact CG-CG1 4.24Å; K463-F484 WeakPolarHBondContact CA-O 3.36Å; K463-D485 IonicContact NZ-OD2 3.23Å; K463-D485 PolarHBondContact NZ-OD2 3.27Å
464	L	94.9	Very high	88.5	Confident	1 Å²	1	28 Å²	28	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.2	178.7	-168.6	71	0	0	0	110	A410 L412 Y417 V419 V457 I466 V483 F484	A410-L464 HydrophobicContact CB-CD1 3.61Å; L412-L464 HydrophobicContact CD2-CB 4.13Å; Y417-L464 HydrophobicContact CD1-CD2 4.12Å; Y417-L464 HydrophobicContact CG-CD2 4.2Å; V419-L464 HydrophobicContact CG2-CD2 3.64Å; V457-L464 HydrophobicContact CG1-CD1 3.72Å; V457-L464 HydrophobicContact CG1-CD2 4.25Å; V457-L464 HydrophobicContact CG1-CG 4.04Å; L464-I466 HydrophobicContact CB-CD1 4.43Å; L464-I466 HydrophobicContact CD2-CD1 4.16Å; L464-I466 HydrophobicContact CG-CD1 3.94Å; L464-V483 CarbonylContact O-C 3.47Å; L464-V483 WeakPolarHBondContact O-CA 3.28Å; L464-F484 HydrophobicContact CB-CB 4.23Å; L464-F484 HydrophobicContact CB-CD1 4.39Å; L464-F484 PolarHBondContact N-O 3.32Å; L464-F484 PolarHBondContact O-N 3.46Å
465	Y	95.6	Very high	87.1	Confident	14 Å²	14	31.8 Å²	31.8	6%	0.055	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	132	179.9	-74.9	-107.3	0	0	0	110.6	V457 C458 L460 K463 D482 V483 L513 Y531	V457-Y465 WeakPolarHBondContact CA-O 3.39Å; C458-Y465 PolarHBondContact N-O 3.09Å; C458-Y465 PolarHBondContact O-N 2.61Å; L460-Y465 HydrophobicContact CB-CD2 3.97Å; L460-Y465 HydrophobicContact CB-CE2 3.8Å; L460-Y465 HydrophobicContact CD2-CE2 4.28Å; L460-Y465 HydrophobicContact CG-CE2 4.25Å; K463-Y465 HydrophobicContact CB-CE2 4.14Å; Y465-D482 CarbonylContact C-O 3.54Å; Y465-D482 WeakPolarHBondContact CA-O 3.45Å; Y465-V483 HydrophobicContact CD1-CG1 4.49Å; Y465-V483 HydrophobicContact CD1-CG2 3.53Å; Y465-V483 HydrophobicContact CD2-CG1 4.21Å; Y465-V483 HydrophobicContact CE1-CB 4.38Å; Y465-V483 HydrophobicContact CE1-CG1 4.21Å; Y465-V483 HydrophobicContact CE1-CG2 3.3Å; Y465-V483 HydrophobicContact CE2-CG1 3.89Å; Y465-V483 HydrophobicContact CE2-CG2 4.48Å; Y465-V483 HydrophobicContact CG-CG1 4.49Å; Y465-V483 HydrophobicContact CG-CG2 4.21Å; Y465-L513 HydrophobicContact CD1-CD1 3.54Å; Y465-L513 HydrophobicContact CD2-CD1 4.04Å; Y465-L513 HydrophobicContact CE1-CD1 4.22Å; Y465-L513 HydrophobicContact CG-CD1 3.45Å; Y465-L513 VanDerWaalsContact CG-CD1 3.45Å; Y465-Y531 HydrophobicContact CD1-CE1 4.34Å; Y465-Y531 HydrophobicContact CE1-CD1 4.16Å; Y465-Y531 AromaticContact CE1-CE1 3.51Å; Y465-Y531 HydrophobicContact CE1-CE1 3.51Å
466	I	93.8	Very high	86.2	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	110.9	179.5	-61.9	60	0	0	0	106.7	V419 L448 A455 G456 L464 C481 D482 W491	V419-I466 HydrophobicContact CG1-CG1 3.82Å; L448-I466 HydrophobicContact CD2-CG1 4.26Å; A455-I466 HydrophobicContact CB-CG2 4.01Å; G456-I466 CarbonylContact O-C 3.45Å; G456-I466 WeakPolarHBondContact O-CA 3.32Å; L464-I466 HydrophobicContact CB-CD1 4.43Å; L464-I466 HydrophobicContact CD2-CD1 4.16Å; L464-I466 HydrophobicContact CG-CD1 3.94Å; I466-C481 WeakPolarHBondContact O-CA 3.49Å; I466-D482 PolarHBondContact N-O 3.17Å; I466-D482 PolarHBondContact O-N 3.16Å; I466-W491 HydrophobicContact CD1-CH2 3.58Å; I466-W491 HydrophobicContact CD1-CZ3 3.4Å; I466-W491 HydrophobicContact CG1-CH2 3.96Å; I466-W491 HydrophobicContact CG1-CZ3 3.86Å
467	V	95.4	Very high	85.4	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125	-164.2	-175.5	0	0	0	0	110.5	G456 L497 I515 W538	G456-V467 PolarHBondContact N-O 3.1Å; G456-V467 PolarHBondContact O-N 3.22Å; V467-L497 HydrophobicContact CG1-CD1 3.99Å; V467-L497 HydrophobicContact CG1-CD2 3.79Å; V467-L497 HydrophobicContact CG1-CG 4.15Å; V467-I515 HydrophobicContact CB-CD1 4.2Å; V467-I515 HydrophobicContact CG1-CD1 3.41Å; V467-I515 VanDerWaalsContact CG1-CD1 3.41Å; V467-W538 HydrophobicContact CG1-CH2 3.69Å; V467-W538 HydrophobicContact CG1-CZ2 3.6Å; V467-W538 HydrophobicContact CG2-CH2 4.2Å; V467-W538 HydrophobicContact CG2-CZ2 4.02Å
468	G	93.6	Very high	85.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.			trans	65.6	-136.6	178.2	0	0	0	0	0	112.9	N480	G468-N480 PolarHBondContact N-O 3.23Å
469	G	90.9	Very high	85	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.01	22%	0.215	C	C	.	.			trans	92.8	-171.3	-175.9	0	0	0	0	0	112.7	C453 L478 R501	C453-G469 WeakPolarHBondContact O-CA 3.43Å; G469-L478 WeakPolarHBondContact O-CB 3.33Å; G469-L478 WeakPolarHBondContact O-CG 3.37Å; G469-L478 PolarHBondContact O-N 2.98Å; G469-R501 PolarHBondContact N-O 2.92Å
470	S	85.9	Confident	84.8	Confident	5 Å²	5	45 Å²	45	4%	0.035	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-131.4	157.6	175	60.7	0	0	0	0	110.1	R452 C453 G474	R452-S470 WeakPolarHBondContact CA-O 3.33Å; C453-S470 PolarHBondContact N-O 3.07Å; C453-S470 PolarHBondContact O-N 2.78Å; C453-S470 PolarHBondContact SG-OG 3.21Å; S470-G474 WeakPolarHBondContact CB-O 3.32Å
471	D	75.2	Confident	84.6	Confident	66 Å²	66	44.9 Å²	44.9	35%	0.353	23%	0.226	S	C	.	.			trans	-63.3	148.8	160.4	59.2	-43.5	0	0	0	109.2	Y473 G474	D471-Y473 PolarHBondContact O-N 3.5Å; D471-Y473 VanDerWaalsContact O-N 3.1Å; D471-G474 PolarHBondContact O-N 3.17Å; D471-G474 VanDerWaalsContact O-N 3.16Å; D471-G474 WeakPolarHBondContact OD1-CA 3.45Å; D471-G474 PolarHBondContact OD1-N 2.85Å; D471-G474 WeakPolarHBondContact OD2-CA 3.32Å; D471-G474 PolarHBondContact OD2-N 3.32Å
472	P	62.5	Low	84.4	Confident	41 Å²	41	39.9 Å²	39.9	27%	0.266	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-26.7	-174.6	-30.4	41.2	0	0	0	114.5	D428 N451	D428-P472 HydrophobicContact CB-CG 4.21Å; D428-P472 VanDerWaalsContact CG-CG 3.43Å; D428-P472 WeakPolarHBondContact OD1-CB 3.4Å; D428-P472 VanDerWaalsContact OD1-CG 3.26Å; D428-P472 WeakPolarHBondContact OD1-CG 3.24Å; N451-P472 HydrophobicContact CB-CG 4.19Å
473	Y	62.4	Low	84.4	Confident	164 Å²	164	38.9 Å²	38.9	64%	0.643	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-8.3	-178.5	-50	-71.9	0	0	0	114	S426 D428 D471	S426-Y473 PolarHBondContact O-OH 3.35Å; D428-Y473 PolarHBondContact OD1-OH 3.3Å; D428-Y473 WeakPolarHBondContact OD2-CE2 3.26Å; D471-Y473 PolarHBondContact O-N 3.5Å; D471-Y473 VanDerWaalsContact O-N 3.1Å
474	G	57.5	Low	84.2	Confident	16 Å²	16	36 Å²	36	17%	0.165	18%	0.175	C	C	.	.			trans	-111.9	138.9	-174.2	0	0	0	0	0	112.8	S470 D471 K476	S470-G474 WeakPolarHBondContact CB-O 3.32Å; D471-G474 PolarHBondContact O-N 3.17Å; D471-G474 VanDerWaalsContact O-N 3.16Å; D471-G474 WeakPolarHBondContact OD1-CA 3.45Å; D471-G474 PolarHBondContact OD1-N 2.85Å; D471-G474 WeakPolarHBondContact OD2-CA 3.32Å; D471-G474 PolarHBondContact OD2-N 3.32Å; G474-K476 PolarHBondContact O-N 3.49Å
475	Q	59.3	Low	84	Confident	98 Å²	98	37.2 Å²	37.2	46%	0.458	18%	0.182	S	C	.	.			trans	-82.8	7.5	169.3	-61.9	-62.4	-30.7	0	0	111.8	S521 W522	Q475-S521 WeakPolarHBondContact O-CA 3.46Å; Q475-W522 HydrophobicContact CG-CZ2 4.17Å
476	K	73.3	Confident	83.7	Confident	131 Å²	131	37.6 Å²	37.6	57%	0.57	19%	0.186	S	C	*	.			trans	-92.3	112.3	-174.8	-167.3	176.5	-177.1	177.9	0	109.7	G474	G474-K476 PolarHBondContact O-N 3.49Å
477	G	79.5	Confident	83.5	Confident	3 Å²	3	43.1 Å²	43.1	3%	0.031	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-56.2	145.3	174.1	0	0	0	0	0	112.8	R500	G477-R500 WeakPolarHBondContact O-CB 3.17Å; G477-R500 WeakPolarHBondContact O-CD 3.38Å; G477-R500 VanDerWaalsContact O-CG 3.26Å; G477-R500 WeakPolarHBondContact O-CG 3.48Å
478	L	89.8	Confident	83.3	Confident	44 Å²	44	47.1 Å²	47.1	23%	0.23	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-96.6	157.1	177.4	-61.6	174.4	0	0	0	110.9	R452 G469 R501	R452-L478 HydrophobicContact CG-CD1 4.27Å; G469-L478 WeakPolarHBondContact O-CB 3.33Å; G469-L478 WeakPolarHBondContact O-CG 3.37Å; G469-L478 PolarHBondContact O-N 2.98Å; L478-R501 PolarHBondContact O-N 3.49Å
479	K	94	Very high	83	Confident	65 Å²	65	54.1 Å²	54.1	28%	0.283	27%	0.274	S	S	.	.			trans	-101.7	-9.3	168.8	-65.5	-176.5	163.3	-154.9	0	112.6	C481 P496 L497 N498 R500	K479-C481 PolarHBondContact O-SG 3.43Å; K479-P496 HydrophobicContact CB-CB 4.03Å; K479-P496 CarbonylContact O-C 3.56Å; K479-P496 VanDerWaalsContact O-CA 3.24Å; K479-P496 WeakPolarHBondContact O-CA 3.35Å; K479-P496 WeakPolarHBondContact O-CB 3.38Å; K479-L497 HydrophobicContact CB-CB 4.27Å; K479-L497 VanDerWaalsContact CD-O 3.27Å; K479-L497 WeakPolarHBondContact CD-O 3.37Å; K479-L497 HydrophobicContact CG-CB 4.48Å; K479-L497 PolarHBondContact O-N 2.78Å; K479-N498 VanDerWaalsContact CE-O 3.23Å; K479-N498 WeakPolarHBondContact CE-O 3.32Å; K479-N498 PolarHBondContact NZ-O 3.03Å; K479-R500 HydrophobicContact CD-CG 4.2Å; K479-R500 HydrophobicContact CG-CB 4.41Å; K479-R500 HydrophobicContact CG-CG 3.57Å
480	N	91.8	Very high	82.8	Confident	80 Å²	80	56.4 Å²	56.4	43%	0.428	29%	0.29	S	S	.	.			trans	-62.4	137.8	-170.7	-62.8	66.8	0	0	0	110.6	G468	G468-N480 PolarHBondContact N-O 3.23Å
481	C	94.1	Very high	83	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.014	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	124.8	174.5	-58	0	0	0	0	107.4	I466 K479 C494 A495	I466-C481 WeakPolarHBondContact O-CA 3.49Å; K479-C481 PolarHBondContact O-SG 3.43Å; C481-C494 WeakPolarHBondContact CB-SG 3.39Å; C481-C494 PolarHBondContact O-N 3.37Å; C481-A495 WeakPolarHBondContact CB-O 3.46Å; C481-A495 PolarHBondContact SG-O 2.91Å
482	D	92.3	Very high	83.7	Confident	10 Å²	10	57.9 Å²	57.9	5%	0.053	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.8	-178.9	-61.6	-84.6	0	0	0	110.4	R452 Y465 I466 W491 S493	R452-D482 IonicContact CZ-OD2 3.46Å; R452-D482 IonicContact NH1-OD2 2.64Å; R452-D482 PolarHBondContact NH1-OD2 3.37Å; R452-D482 IonicContact NH2-OD2 3.78Å; R452-D482 PolarHBondContact NH2-OD2 2.89Å; Y465-D482 CarbonylContact C-O 3.54Å; Y465-D482 WeakPolarHBondContact CA-O 3.45Å; I466-D482 PolarHBondContact N-O 3.17Å; I466-D482 PolarHBondContact O-N 3.16Å; D482-W491 HydrophobicContact CB-CE3 4.09Å; D482-W491 HydrophobicContact CB-CZ3 4.35Å; D482-S493 PolarHBondContact OD1-OG 3.27Å
483	V	93.9	Very high	85.2	Confident	7 Å²	7	60.1 Å²	60.1	4%	0.042	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.6	-174.9	-169.4	0	0	0	0	108.3	K463 L464 Y465 W491 T492 C494	K463-V483 HydrophobicContact CB-CG1 3.63Å; K463-V483 HydrophobicContact CD-CG1 3.73Å; K463-V483 HydrophobicContact CG-CG1 4.24Å; L464-V483 CarbonylContact O-C 3.47Å; L464-V483 WeakPolarHBondContact O-CA 3.28Å; Y465-V483 HydrophobicContact CD1-CG1 4.49Å; Y465-V483 HydrophobicContact CD1-CG2 3.53Å; Y465-V483 HydrophobicContact CD2-CG1 4.21Å; Y465-V483 HydrophobicContact CE1-CB 4.38Å; Y465-V483 HydrophobicContact CE1-CG1 4.21Å; Y465-V483 HydrophobicContact CE1-CG2 3.3Å; Y465-V483 HydrophobicContact CE2-CG1 3.89Å; Y465-V483 HydrophobicContact CE2-CG2 4.48Å; Y465-V483 HydrophobicContact CG-CG1 4.49Å; Y465-V483 HydrophobicContact CG-CG2 4.21Å; V483-W491 WeakPolarHBondContact O-CA 3.26Å; V483-T492 PolarHBondContact N-O 2.92Å; V483-T492 PolarHBondContact O-N 3.2Å; V483-C494 HydrophobicContact CG2-CB 3.94Å
484	F	91.7	Very high	86.6	Confident	5 Å²	5	53.2 Å²	53.2	2%	0.022	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126.5	171.5	176	-109.3	0	0	0	110	Y417 V445 P446 K463 L464 P486 W491	Y417-F484 HydrophobicContact CE1-CE1 4.39Å; V445-F484 HydrophobicContact CG1-CD1 4.49Å; V445-F484 HydrophobicContact CG1-CE1 3.79Å; V445-F484 HydrophobicContact CG1-CE2 4.39Å; V445-F484 HydrophobicContact CG1-CZ 3.74Å; P446-F484 HydrophobicContact CG-CE2 4.39Å; P446-F484 HydrophobicContact CG-CZ 4.49Å; K463-F484 WeakPolarHBondContact CA-O 3.36Å; L464-F484 HydrophobicContact CB-CB 4.23Å; L464-F484 HydrophobicContact CB-CD1 4.39Å; L464-F484 PolarHBondContact N-O 3.32Å; L464-F484 PolarHBondContact O-N 3.46Å; F484-P486 HydrophobicContact CE1-CB 4Å; F484-W491 HydrophobicContact CB-CD2 3.95Å; F484-W491 HydrophobicContact CB-CE3 3.76Å; F484-W491 HydrophobicContact CB-CH2 3.61Å; F484-W491 HydrophobicContact CB-CZ2 3.83Å; F484-W491 HydrophobicContact CB-CZ3 3.62Å; F484-W491 AromaticContact CD2-CD2 3.99Å; F484-W491 HydrophobicContact CD2-CD2 3.99Å; F484-W491 AromaticContact CD2-CE2 3.58Å; F484-W491 HydrophobicContact CD2-CG 4.3Å; F484-W491 AromaticContact CD2-CZ2 3.88Å; F484-W491 HydrophobicContact CD2-CZ2 3.88Å; F484-W491 AromaticContact CD2-NE1 3.71Å; F484-W491 HydrophobicContact CG-CD2 4.42Å; F484-W491 HydrophobicContact CG-CH2 4.24Å; F484-W491 AromaticContact CG-CZ2 3.99Å; F484-W491 HydrophobicContact CG-CZ2 3.99Å
485	D	92.2	Very high	88.5	Confident	27 Å²	27	53.2 Å²	53.2	14%	0.144	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	113.7	170.2	-174.4	-35.9	0	0	0	109	K463 V487 T488 K489 S490	K463-D485 IonicContact NZ-OD2 3.23Å; K463-D485 PolarHBondContact NZ-OD2 3.27Å; D485-V487 VanDerWaalsContact C-N 3.26Å; D485-V487 PolarHBondContact O-N 2.87Å; D485-V487 WeakPolarHBondContact OD1-CA 3.42Å; D485-V487 VanDerWaalsContact OD1-CB 3.29Å; D485-V487 WeakPolarHBondContact OD1-CB 3.3Å; D485-V487 PolarHBondContact OD1-N 3.32Å; D485-T488 VanDerWaalsContact CB-OG1 3.32Å; D485-T488 WeakPolarHBondContact CB-OG1 3.45Å; D485-T488 PolarHBondContact OD1-N 2.84Å; D485-T488 VanDerWaalsContact OD1-N 3.17Å; D485-K489 WeakPolarHBondContact O-CA 3.49Å; D485-K489 PolarHBondContact O-N 2.53Å; D485-S490 PolarHBondContact N-O 3.36Å; D485-S490 PolarHBondContact O-N 2.82Å
486	P	89.3	Confident	90.3	Very high	22 Å²	22	52.5 Å²	52.5	14%	0.143	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-22.6	-178.6	31	-37.9	0	0	0	113.1	L412 M413 G462 F484	L412-P486 HydrophobicContact CD2-CB 4.44Å; L412-P486 HydrophobicContact CD2-CG 3.85Å; M413-P486 HydrophobicContact CE-CG 4.33Å; G462-P486 WeakPolarHBondContact O-CD 3.37Å; F484-P486 HydrophobicContact CE1-CB 4Å
487	V	89.8	Confident	91.5	Very high	117 Å²	117	46.4 Å²	46.4	71%	0.709	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-49.4	-179.4	-178.3	0	0	0	0	110.2	D485	D485-V487 VanDerWaalsContact C-N 3.26Å; D485-V487 PolarHBondContact O-N 2.87Å; D485-V487 WeakPolarHBondContact OD1-CA 3.42Å; D485-V487 VanDerWaalsContact OD1-CB 3.29Å; D485-V487 WeakPolarHBondContact OD1-CB 3.3Å; D485-V487 PolarHBondContact OD1-N 3.32Å
488	T	90.3	Very high	92.3	Very high	85 Å²	85	50 Å²	50	52%	0.521	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-9.2	179.1	63.5	0	0	0	0	113.1	D485 S490	D485-T488 VanDerWaalsContact CB-OG1 3.32Å; D485-T488 WeakPolarHBondContact CB-OG1 3.45Å; D485-T488 PolarHBondContact OD1-N 2.84Å; D485-T488 VanDerWaalsContact OD1-N 3.17Å; T488-S490 PolarHBondContact O-N 2.87Å; T488-S490 PolarHBondContact OG1-OG 2.88Å
489	K	86.9	Confident	92.5	Very high	147 Å²	147	49.9 Å²	49.9	64%	0.639	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	37.6	-175.6	-59.7	-173.1	179.3	-173	0	112.7	P446 D485	P446-K489 HydrophobicContact CG-CB 4.31Å; D485-K489 WeakPolarHBondContact O-CA 3.49Å; D485-K489 PolarHBondContact O-N 2.53Å
490	S	87.8	Confident	92.5	Very high	49 Å²	49	51.4 Å²	51.4	34%	0.343	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147	-173.1	70	0	0	0	0	112.9	D485 T488	D485-S490 PolarHBondContact N-O 3.36Å; D485-S490 PolarHBondContact O-N 2.82Å; T488-S490 PolarHBondContact O-N 2.87Å; T488-S490 PolarHBondContact OG1-OG 2.88Å
491	W	88.7	Confident	92.6	Very high	24 Å²	24	47.6 Å²	47.6	9%	0.091	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.3	177.3	-67.9	94.9	0	0	0	112.2	V419 E447 L448 R449 I466 D482 V483 F484	V419-W491 HydrophobicContact CG1-CH2 4.45Å; E447-W491 PolarHBondContact O-NE1 3.5Å; L448-W491 HydrophobicContact CD2-CE3 4.42Å; L448-W491 HydrophobicContact CD2-CH2 3.17Å; L448-W491 HydrophobicContact CD2-CZ2 3.59Å; L448-W491 HydrophobicContact CD2-CZ3 3.62Å; L448-W491 HydrophobicContact CG-CH2 4.15Å; L448-W491 HydrophobicContact CG-CZ2 4.14Å; R449-W491 HydrophobicContact CG-CB 4.36Å; R449-W491 PolarHBondContact NH2-O 3.43Å; I466-W491 HydrophobicContact CD1-CH2 3.58Å; I466-W491 HydrophobicContact CD1-CZ3 3.4Å; I466-W491 HydrophobicContact CG1-CH2 3.96Å; I466-W491 HydrophobicContact CG1-CZ3 3.86Å; D482-W491 HydrophobicContact CB-CE3 4.09Å; D482-W491 HydrophobicContact CB-CZ3 4.35Å; V483-W491 WeakPolarHBondContact O-CA 3.26Å; F484-W491 HydrophobicContact CB-CD2 3.95Å; F484-W491 HydrophobicContact CB-CE3 3.76Å; F484-W491 HydrophobicContact CB-CH2 3.61Å; F484-W491 HydrophobicContact CB-CZ2 3.83Å; F484-W491 HydrophobicContact CB-CZ3 3.62Å; F484-W491 AromaticContact CD2-CD2 3.99Å; F484-W491 HydrophobicContact CD2-CD2 3.99Å; F484-W491 AromaticContact CD2-CE2 3.58Å; F484-W491 HydrophobicContact CD2-CG 4.3Å; F484-W491 AromaticContact CD2-CZ2 3.88Å; F484-W491 HydrophobicContact CD2-CZ2 3.88Å; F484-W491 AromaticContact CD2-NE1 3.71Å; F484-W491 HydrophobicContact CG-CD2 4.42Å; F484-W491 HydrophobicContact CG-CH2 4.24Å; F484-W491 AromaticContact CG-CZ2 3.99Å; F484-W491 HydrophobicContact CG-CZ2 3.99Å
492	T	91.7	Very high	92.5	Very high	78 Å²	78	47.6 Å²	47.6	48%	0.479	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138.2	172.7	54	0	0	0	0	110.6	V483	V483-T492 PolarHBondContact N-O 2.92Å; V483-T492 PolarHBondContact O-N 3.2Å
493	S	92.1	Very high	92.7	Very high	89 Å²	89	48.2 Å²	48.2	62%	0.622	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	146.1	174.6	-55.9	0	0	0	0	111.2	D482	D482-S493 PolarHBondContact OD1-OG 3.27Å
494	C	93.6	Very high	92.9	Very high	18 Å²	18	48 Å²	48	12%	0.122	27%	0.27	C	S	.	.			trans	-117.7	-178.6	171.4	65.9	0	0	0	0	110.9	C481 V483 N536	C481-C494 WeakPolarHBondContact CB-SG 3.39Å; C481-C494 PolarHBondContact O-N 3.37Å; V483-C494 HydrophobicContact CG2-CB 3.94Å; C494-N536 WeakPolarHBondContact CB-OD1 3.46Å
495	A	96.8	Very high	93.2	Very high	17 Å²	17	47.9 Å²	47.9	14%	0.14	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-56.1	136.4	-175.8	0	0	0	0	0	111.5	C481 Y531 N536 W538	C481-A495 WeakPolarHBondContact CB-O 3.46Å; C481-A495 PolarHBondContact SG-O 2.91Å; A495-Y531 HydrophobicContact CB-CE2 4.45Å; A495-N536 WeakPolarHBondContact CB-O 3.24Å; A495-N536 WeakPolarHBondContact CB-OD1 3.32Å; A495-N536 PolarHBondContact N-OD1 3.26Å; A495-W538 PolarHBondContact O-NE1 3.46Å
496	P	97.4	Very high	93.5	Very high	83 Å²	83	47.1 Å²	47.1	54%	0.539	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-73.1	156.8	179.5	31.6	-35.5	0	0	0	111.2	K479	K479-P496 HydrophobicContact CB-CB 4.03Å; K479-P496 CarbonylContact O-C 3.56Å; K479-P496 VanDerWaalsContact O-CA 3.24Å; K479-P496 WeakPolarHBondContact O-CA 3.35Å; K479-P496 WeakPolarHBondContact O-CB 3.38Å
497	L	98	Very high	93.9	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.016	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-62	152	173	-61.4	171	0	0	0	112.2	V467 K479 I499 R501 I515 W538	V467-L497 HydrophobicContact CG1-CD1 3.99Å; V467-L497 HydrophobicContact CG1-CD2 3.79Å; V467-L497 HydrophobicContact CG1-CG 4.15Å; K479-L497 HydrophobicContact CB-CB 4.27Å; K479-L497 VanDerWaalsContact CD-O 3.27Å; K479-L497 WeakPolarHBondContact CD-O 3.37Å; K479-L497 HydrophobicContact CG-CB 4.48Å; K479-L497 PolarHBondContact O-N 2.78Å; L497-I499 VanDerWaalsContact CB-O 3.22Å; L497-I499 WeakPolarHBondContact CB-O 3.22Å; L497-R501 HydrophobicContact CD1-CG 3.47Å; L497-R501 VanDerWaalsContact CD1-CG 3.47Å; L497-I515 HydrophobicContact CD1-CD1 4.03Å; L497-I515 HydrophobicContact CD2-CD1 4.42Å; L497-I515 HydrophobicContact CD2-CG2 3.8Å; L497-W538 HydrophobicContact CD2-CD2 3.58Å; L497-W538 HydrophobicContact CD2-CE3 3.83Å; L497-W538 HydrophobicContact CD2-CG 4.1Å; L497-W538 HydrophobicContact CD2-CH2 4.01Å; L497-W538 HydrophobicContact CD2-CZ2 3.77Å; L497-W538 HydrophobicContact CD2-CZ3 4.04Å
498	N	96.6	Very high	94.3	Very high	77 Å²	77	44.3 Å²	44.3	41%	0.412	24%	0.244	S	C	.	.	S	Bend	trans	-70.4	-39.9	171.6	-61.3	-76.7	0	0	0	110.6	K479 E529 W538	K479-N498 VanDerWaalsContact CE-O 3.23Å; K479-N498 WeakPolarHBondContact CE-O 3.32Å; K479-N498 PolarHBondContact NZ-O 3.03Å; N498-E529 WeakPolarHBondContact CB-OE2 3.31Å; N498-E529 PolarHBondContact N-OE2 2.58Å; N498-E529 PolarHBondContact ND2-OE2 3.39Å; N498-W538 PolarHBondContact ND2-O 3.17Å
499	I	94.1	Very high	94.7	Very high	42 Å²	42	41.5 Å²	41.5	22%	0.215	23%	0.225	C	C	.	.	S	Bend	trans	-114.2	139.7	-179.1	-57	172	0	0	0	109.2	L497 L525 S527 E529 L540	L497-I499 VanDerWaalsContact CB-O 3.22Å; L497-I499 WeakPolarHBondContact CB-O 3.22Å; I499-L525 HydrophobicContact CG2-CD1 3.95Å; I499-S527 WeakPolarHBondContact CD1-OG 3.44Å; I499-E529 PolarHBondContact N-OE1 3.34Å; I499-L540 HydrophobicContact CD1-CD2 3.93Å
500	R	92.6	Very high	95.2	Very high	97 Å²	97	37.4 Å²	37.4	37%	0.366	23%	0.225	S	C	.	.			trans	-70.4	132.9	173.2	-76.6	171.5	-118.9	-86.7	1.8	109.1	G477 K479 E520	G477-R500 WeakPolarHBondContact O-CB 3.17Å; G477-R500 WeakPolarHBondContact O-CD 3.38Å; G477-R500 VanDerWaalsContact O-CG 3.26Å; G477-R500 WeakPolarHBondContact O-CG 3.48Å; K479-R500 HydrophobicContact CD-CG 4.2Å; K479-R500 HydrophobicContact CG-CB 4.41Å; K479-R500 HydrophobicContact CG-CG 3.57Å; R500-E520 HydrophobicContact CB-CG 4.21Å; R500-E520 IonicContact NE-OE1 2.74Å
501	R	94.3	Very high	95.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-154.5	142.6	-178.1	46	175.3	79.2	-143.9	10.8	113.2	G469 L478 L497 S504 I515 G517 A519 L525 S527 E529	G469-R501 PolarHBondContact N-O 2.92Å; L478-R501 PolarHBondContact O-N 3.49Å; L497-R501 HydrophobicContact CD1-CG 3.47Å; L497-R501 VanDerWaalsContact CD1-CG 3.47Å; R501-S504 WeakPolarHBondContact CB-OG 3.35Å; R501-S504 WeakPolarHBondContact CD-OG 3.45Å; R501-I515 HydrophobicContact CG-CD1 3.99Å; R501-G517 PolarHBondContact NH1-O 2.95Å; R501-A519 WeakPolarHBondContact CA-O 3.37Å; R501-L525 HydrophobicContact CB-CD1 3.95Å; R501-S527 PolarHBondContact NH1-O 3.4Å; R501-S527 PolarHBondContact NH2-O 2.96Å; R501-S527 VanDerWaalsContact NH2-O 3.17Å; R501-S527 PolarHBondContact NH2-OG 3.49Å; R501-E529 IonicContact CZ-OE1 2.69Å; R501-E529 IonicContact NE-OE1 3.66Å; R501-E529 PolarHBondContact NE-OE1 2.96Å; R501-E529 IonicContact NH2-OE1 3.35Å; R501-E529 PolarHBondContact NH2-OE1 3.33Å
502	H	93.3	Very high	96.1	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.014	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-131.9	163.4	167.8	63.2	96.2	0	0	0	109.4	N454 S504 G518 A519	N454-H502 HydrophobicContact CB-CB 4.16Å; H502-S504 PolarHBondContact O-N 2.97Å; H502-G518 CarbonylContact O-C 3.59Å; H502-G518 WeakPolarHBondContact O-CA 3.47Å; H502-A519 PolarHBondContact CD2-O 3.33Å; H502-A519 PolarHBondContact N-O 3.06Å; H502-A519 PolarHBondContact NE2-O 3.31Å; H502-A519 PolarHBondContact O-N 3.45Å
503	Q	95.3	Very high	96.4	Very high	23 Å²	23	34.6 Å²	34.6	11%	0.107	21%	0.207	C	C	.	.	S	Bend	trans	56.9	29.7	-176	-61.1	-176	-57.6	0	0	113.2	N454 G518 R549 G550 N597	N454-Q503 HydrophobicContact CB-CB 4.48Å; N454-Q503 HydrophobicContact CB-CG 3.59Å; N454-Q503 VanDerWaalsContact CG-CG 3.5Å; N454-Q503 PolarHBondContact O-N 3.07Å; N454-Q503 WeakPolarHBondContact OD1-CG 3.43Å; Q503-G518 WeakPolarHBondContact O-CA 3.47Å; Q503-R549 HydrophobicContact CB-CB 4.26Å; Q503-G550 PolarHBondContact O-N 2.77Å; Q503-N597 PolarHBondContact NE2-ND2 2.86Å
504	S	97.9	Very high	96.7	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.021	18%	0.178	C	C	.	.			trans	-82.9	146.8	174.8	-56.1	0	0	0	0	110.8	Q408 R501 H502 I515 I516 G517	Q408-S504 PolarHBondContact NE2-O 3.48Å; R501-S504 WeakPolarHBondContact CB-OG 3.35Å; R501-S504 WeakPolarHBondContact CD-OG 3.45Å; H502-S504 PolarHBondContact O-N 2.97Å; S504-I515 VanDerWaalsContact CB-CG1 3.41Å; S504-I516 WeakPolarHBondContact CA-O 3.31Å; S504-I516 WeakPolarHBondContact CB-O 3.36Å; S504-G517 WeakPolarHBondContact CB-O 3.41Å; S504-G517 PolarHBondContact OG-O 2.89Å
505	A	98.3	Very high	97	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	137.4	167	0	0	0	0	0	109	I516 A551 V553	A505-I516 HydrophobicContact CB-CB 4.32Å; A505-I516 PolarHBondContact N-O 3.24Å; A505-I516 PolarHBondContact O-N 3.33Å; A505-A551 WeakPolarHBondContact CB-O 3.31Å; A505-V553 HydrophobicContact CB-CB 3.83Å; A505-V553 HydrophobicContact CB-CG1 3.69Å
506	V	98.1	Very high	97.1	Very high	11 Å²	11	29.1 Å²	29.1	7%	0.067	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.8	177.6	-175.3	0	0	0	0	110.4	C458 Y514 I515	C458-V506 HydrophobicContact CB-CB 4.48Å; C458-V506 HydrophobicContact CB-CG1 3.62Å; V506-Y514 VanDerWaalsContact CA-O 3.28Å; V506-Y514 WeakPolarHBondContact CA-O 3.2Å; V506-I515 HydrophobicContact CG2-CB 4.09Å; V506-I515 HydrophobicContact CG2-CD1 3.95Å; V506-I515 HydrophobicContact CG2-CG1 3.76Å
507	C	98.2	Very high	97.1	Very high	9 Å²	9	25.2 Å²	25.2	6%	0.061	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	164.8	175.8	57.1	0	0	0	0	111.7	L513 Y514 V553 V555	C507-L513 WeakPolarHBondContact O-CA 3.5Å; C507-Y514 PolarHBondContact N-O 2.85Å; C507-Y514 VanDerWaalsContact N-O 3.14Å; C507-Y514 PolarHBondContact O-N 2.83Å; C507-V553 HydrophobicContact CB-CG1 3.79Å; C507-V553 HydrophobicContact CB-CG2 4.3Å; C507-V555 HydrophobicContact CB-CG2 3.76Å
508	E	98.3	Very high	97.1	Very high	71 Å²	71	25.1 Å²	25.1	33%	0.332	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134.5	172.5	-174	-78.7	133.4	0	0	109.1	C458 A459 L460 G510 G511 Y512 L513 V555	C458-E508 PolarHBondContact SG-N 2.81Å; A459-E508 WeakPolarHBondContact O-CB 3.37Å; L460-E508 HydrophobicContact CB-CG 4.22Å; L460-E508 HydrophobicContact CD1-CG 3.68Å; L460-E508 HydrophobicContact CG-CG 4.48Å; E508-G510 PolarHBondContact OE1-N 3.06Å; E508-G510 VanDerWaalsContact OE1-N 3.09Å; E508-G511 WeakPolarHBondContact OE1-CA 3.08Å; E508-G511 PolarHBondContact OE1-N 2.91Å; E508-Y512 WeakPolarHBondContact CA-O 3.4Å; E508-L513 HydrophobicContact CB-CD2 4.05Å; E508-L513 HydrophobicContact CG-CD2 4.39Å; E508-V555 WeakPolarHBondContact O-CG2 3.42Å
509	L	98.3	Very high	96.8	Very high	26 Å²	26	21.4 Å²	21.4	14%	0.136	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	123.2	169.3	172.8	62.6	0	0	0	110.8	G511 Y512 Y514 V555 G558 L560 P580	L509-G511 VanDerWaalsContact C-N 3.33Å; L509-G511 PolarHBondContact O-N 3.37Å; L509-Y512 PolarHBondContact N-O 3.15Å; L509-Y512 PolarHBondContact O-N 2.85Å; L509-Y514 HydrophobicContact CB-CD2 4.3Å; L509-Y514 HydrophobicContact CB-CE2 3.87Å; L509-Y514 WeakPolarHBondContact O-CE2 3.19Å; L509-V555 HydrophobicContact CB-CG1 4.29Å; L509-V555 HydrophobicContact CD1-CG1 3.78Å; L509-V555 HydrophobicContact CD2-CG1 4.47Å; L509-V555 HydrophobicContact CG-CG1 4.39Å; L509-G558 WeakPolarHBondContact CD2-O 3.46Å; L509-L560 HydrophobicContact CB-CD2 3.86Å; L509-L560 HydrophobicContact CD2-CD2 3.47Å; L509-L560 VanDerWaalsContact CD2-CD2 3.47Å; L509-L560 HydrophobicContact CD2-CG 4.09Å; L509-L560 HydrophobicContact CG-CD2 4.3Å; L509-P580 HydrophobicContact CD2-CG 3.61Å
510	G	96.9	Very high	96.5	Very high	62 Å²	62	22.6 Å²	22.6	64%	0.639	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.6	30.3	172.6	0	0	0	0	0	113.7	E508 Y512	E508-G510 PolarHBondContact OE1-N 3.06Å; E508-G510 VanDerWaalsContact OE1-N 3.09Å; G510-Y512 WeakPolarHBondContact O-CD2 3.35Å; G510-Y512 WeakPolarHBondContact O-CE2 3.36Å
511	G	97.6	Very high	96.1	Very high	25 Å²	25	20.6 Å²	20.6	26%	0.258	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	8.9	-178.7	0	0	0	0	0	114.5	E508 L509 P533	E508-G511 WeakPolarHBondContact OE1-CA 3.08Å; E508-G511 PolarHBondContact OE1-N 2.91Å; L509-G511 VanDerWaalsContact C-N 3.33Å; L509-G511 PolarHBondContact O-N 3.37Å; G511-P533 WeakPolarHBondContact O-CD 3.42Å; G511-P533 WeakPolarHBondContact O-CG 3.16Å
512	Y	98.6	Very high	95.3	Very high	67 Å²	67	29 Å²	29	26%	0.263	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148.1	179.1	-60.5	-92	0	0	0	110.6	E508 L509 G510 R530 Y531 N532	E508-Y512 WeakPolarHBondContact CA-O 3.4Å; L509-Y512 PolarHBondContact N-O 3.15Å; L509-Y512 PolarHBondContact O-N 2.85Å; G510-Y512 WeakPolarHBondContact O-CD2 3.35Å; G510-Y512 WeakPolarHBondContact O-CE2 3.36Å; Y512-R530 HydrophobicContact CD1-CG 3.96Å; Y512-R530 HydrophobicContact CG-CG 4.07Å; Y512-Y531 WeakPolarHBondContact CA-O 3.49Å; Y512-Y531 WeakPolarHBondContact CB-O 3.49Å; Y512-Y531 WeakPolarHBondContact CD1-O 3.49Å; Y512-N532 HydrophobicContact CD1-CB 4.01Å; Y512-N532 HydrophobicContact CE1-CB 3.8Å
513	L	98.7	Very high	94.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	144.1	164.7	-58.1	174	0	0	0	110.1	C458 L460 Y465 C507 E508 R530 Y531 W538	C458-L513 HydrophobicContact CB-CD2 3.93Å; L460-L513 HydrophobicContact CB-CD2 3.82Å; L460-L513 HydrophobicContact CB-CG 4.32Å; L460-L513 HydrophobicContact CD2-CD1 4.32Å; L460-L513 HydrophobicContact CD2-CD2 4.08Å; L460-L513 HydrophobicContact CD2-CG 3.73Å; Y465-L513 HydrophobicContact CD1-CD1 3.54Å; Y465-L513 HydrophobicContact CD2-CD1 4.04Å; Y465-L513 HydrophobicContact CE1-CD1 4.22Å; Y465-L513 HydrophobicContact CG-CD1 3.45Å; Y465-L513 VanDerWaalsContact CG-CD1 3.45Å; C507-L513 WeakPolarHBondContact O-CA 3.5Å; E508-L513 HydrophobicContact CB-CD2 4.05Å; E508-L513 HydrophobicContact CG-CD2 4.39Å; L513-R530 CarbonylContact O-C 3.57Å; L513-R530 VanDerWaalsContact O-CA 3.26Å; L513-R530 WeakPolarHBondContact O-CA 3.38Å; L513-Y531 HydrophobicContact CD1-CD1 4.16Å; L513-Y531 HydrophobicContact CG-CD1 4.43Å; L513-Y531 PolarHBondContact N-O 3.06Å; L513-Y531 PolarHBondContact O-N 3.24Å; L513-W538 HydrophobicContact CB-CH2 4.25Å
514	Y	98.8	Very high	94.6	Very high	6 Å²	6	34.3 Å²	34.3	2%	0.024	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.1	171.2	-63.6	-99.8	0	0	0	108.3	V506 C507 L509 E529 R530 I541 L560 Y578	V506-Y514 VanDerWaalsContact CA-O 3.28Å; V506-Y514 WeakPolarHBondContact CA-O 3.2Å; C507-Y514 PolarHBondContact N-O 2.85Å; C507-Y514 VanDerWaalsContact N-O 3.14Å; C507-Y514 PolarHBondContact O-N 2.83Å; L509-Y514 HydrophobicContact CB-CD2 4.3Å; L509-Y514 HydrophobicContact CB-CE2 3.87Å; L509-Y514 WeakPolarHBondContact O-CE2 3.19Å; Y514-E529 WeakPolarHBondContact CA-O 3.44Å; Y514-R530 HydrophobicContact CD1-CB 4.19Å; Y514-R530 HydrophobicContact CD1-CG 4.1Å; Y514-R530 HydrophobicContact CE1-CB 4.09Å; Y514-R530 HydrophobicContact CE1-CG 3.71Å; Y514-R530 HydrophobicContact CE2-CG 4.34Å; Y514-R530 WeakPolarHBondContact OH-CD 3.28Å; Y514-I541 HydrophobicContact CD1-CD1 3.67Å; Y514-I541 HydrophobicContact CE1-CD1 3.78Å; Y514-L560 HydrophobicContact CD1-CD1 3.71Å; Y514-L560 HydrophobicContact CD2-CD1 4.05Å; Y514-L560 HydrophobicContact CE1-CD1 4.23Å; Y514-L560 HydrophobicContact CG-CD1 3.62Å; Y514-Y578 AromaticContact CE1-CE1 3.88Å; Y514-Y578 HydrophobicContact CE1-CE1 3.88Å
515	I	98.7	Very high	94.5	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.7	168.7	-173.3	161.1	0	0	0	109.5	V467 L497 R501 S504 V506 V528 E529 W538	V467-I515 HydrophobicContact CB-CD1 4.2Å; V467-I515 HydrophobicContact CG1-CD1 3.41Å; V467-I515 VanDerWaalsContact CG1-CD1 3.41Å; L497-I515 HydrophobicContact CD1-CD1 4.03Å; L497-I515 HydrophobicContact CD2-CD1 4.42Å; L497-I515 HydrophobicContact CD2-CG2 3.8Å; R501-I515 HydrophobicContact CG-CD1 3.99Å; S504-I515 VanDerWaalsContact CB-CG1 3.41Å; V506-I515 HydrophobicContact CG2-CB 4.09Å; V506-I515 HydrophobicContact CG2-CD1 3.95Å; V506-I515 HydrophobicContact CG2-CG1 3.76Å; I515-V528 WeakPolarHBondContact O-CA 3.48Å; I515-V528 WeakPolarHBondContact O-CG1 3.36Å; I515-E529 HydrophobicContact CG2-CB 3.73Å; I515-E529 PolarHBondContact N-O 3.3Å; I515-E529 PolarHBondContact O-N 2.86Å; I515-W538 HydrophobicContact CB-CH2 4.28Å; I515-W538 HydrophobicContact CB-CZ3 4.05Å; I515-W538 HydrophobicContact CG2-CE3 4Å; I515-W538 HydrophobicContact CG2-CH2 3.98Å; I515-W538 HydrophobicContact CG2-CZ3 3.41Å; I515-W538 VanDerWaalsContact CG2-CZ3 3.41Å
516	I	98.8	Very high	94.5	Very high	2 Å²	2	38 Å²	38	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123.9	-161.7	-58.1	155.1	0	0	0	109.3	S504 A505 V528 M544 V553 L560 V562 W585	S504-I516 WeakPolarHBondContact CA-O 3.31Å; S504-I516 WeakPolarHBondContact CB-O 3.36Å; A505-I516 HydrophobicContact CB-CB 4.32Å; A505-I516 PolarHBondContact N-O 3.24Å; A505-I516 PolarHBondContact O-N 3.33Å; I516-V528 HydrophobicContact CB-CG1 4.38Å; I516-V528 HydrophobicContact CB-CG2 4.44Å; I516-V528 HydrophobicContact CG1-CG1 3.67Å; I516-V528 HydrophobicContact CG1-CG2 4.47Å; I516-V528 HydrophobicContact CG2-CG2 3.98Å; I516-M544 HydrophobicContact CG2-CE 3.59Å; I516-M544 HydrophobicContact CG2-CG 4.21Å; I516-M544 HydrophobicContact CG2-SD 3.34Å; I516-M544 WeakPolarHBondContact CG2-SD 3.41Å; I516-V553 HydrophobicContact CD1-CB 4.34Å; I516-V553 HydrophobicContact CD1-CG2 3.84Å; I516-L560 HydrophobicContact CD1-CD1 4.19Å; I516-V562 HydrophobicContact CD1-CG2 3.87Å; I516-V562 HydrophobicContact CG2-CG1 4.22Å; I516-V562 HydrophobicContact CG2-CG2 3.99Å; I516-W585 HydrophobicContact CD1-CH2 4.47Å; I516-W585 HydrophobicContact CG2-CH2 4.06Å; I516-W585 HydrophobicContact CG2-CZ2 4.47Å
517	G	98.3	Very high	94.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.21	C	C	.	.			trans	55.4	-138.3	178.9	0	0	0	0	0	113.6	R501 S504 L525 S527	R501-G517 PolarHBondContact NH1-O 2.95Å; S504-G517 WeakPolarHBondContact CB-O 3.41Å; S504-G517 PolarHBondContact OG-O 2.89Å; G517-L525 WeakPolarHBondContact CA-O 3.15Å; G517-S527 PolarHBondContact N-O 2.99Å
518	G	97.3	Very high	94.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.01	21%	0.208	C	C	.	.			trans	98.6	-160	-171.2	0	0	0	0	0	111.4	H502 Q503 L525 R548	H502-G518 CarbonylContact O-C 3.59Å; H502-G518 WeakPolarHBondContact O-CA 3.47Å; Q503-G518 WeakPolarHBondContact O-CA 3.47Å; G518-L525 PolarHBondContact O-N 3.44Å; G518-R548 PolarHBondContact N-O 3.44Å
519	A	91.3	Very high	94.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	145.8	177.5	0	0	0	0	0	112.5	R501 H502 N523 R549	R501-A519 WeakPolarHBondContact CA-O 3.37Å; H502-A519 PolarHBondContact CD2-O 3.33Å; H502-A519 PolarHBondContact N-O 3.06Å; H502-A519 PolarHBondContact NE2-O 3.31Å; H502-A519 PolarHBondContact O-N 3.45Å; A519-N523 VanDerWaalsContact CA-O 3.23Å; A519-N523 WeakPolarHBondContact CA-O 3.18Å; A519-R549 HydrophobicContact CB-CB 3.98Å
520	E	88.1	Confident	94.5	Very high	67 Å²	67	36.7 Å²	36.7	31%	0.313	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	103.7	160.8	-174.1	173	-146.7	0	0	108.1	R500 W522 N523 L525	R500-E520 HydrophobicContact CB-CG 4.21Å; R500-E520 IonicContact NE-OE1 2.74Å; E520-W522 PolarHBondContact O-N 2.96Å; E520-N523 PolarHBondContact N-O 3.24Å; E520-N523 PolarHBondContact O-N 3.44Å; E520-L525 HydrophobicContact CB-CD1 4.36Å; E520-L525 HydrophobicContact CB-CD2 4.32Å
521	S	82.4	Confident	94.6	Very high	54 Å²	54	34.1 Å²	34.1	38%	0.378	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	-117.5	-168.4	-42.9	0	0	0	0	110.2	Q475	Q475-S521 WeakPolarHBondContact O-CA 3.46Å
522	W	77.7	Confident	94.6	Very high	178 Å²	178	34 Å²	34	67%	0.674	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-8	178.4	-60.2	108.8	0	0	0	113.6	Q475 E520 C524	Q475-W522 HydrophobicContact CG-CZ2 4.17Å; E520-W522 PolarHBondContact O-N 2.96Å; W522-C524 PolarHBondContact O-N 2.86Å
523	N	82.6	Confident	94.6	Very high	116 Å²	116	32.3 Å²	32.3	62%	0.62	16%	0.16	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85	117.1	-175.8	-65.1	-29.8	0	0	0	110.2	A519 E520	A519-N523 VanDerWaalsContact CA-O 3.23Å; A519-N523 WeakPolarHBondContact CA-O 3.18Å; E520-N523 PolarHBondContact N-O 3.24Å; E520-N523 PolarHBondContact O-N 3.44Å
524	C	92.1	Very high	94.5	Very high	21 Å²	21	40.7 Å²	40.7	14%	0.142	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	141.7	170.5	-63.1	0	0	0	0	110	W522 A547 F566 D567 G568	W522-C524 PolarHBondContact O-N 2.86Å; C524-A547 HydrophobicContact CB-CB 4.16Å; C524-F566 PolarHBondContact SG-O 3.5Å; C524-D567 VanDerWaalsContact SG-C 3.58Å; C524-G568 PolarHBondContact SG-N 3.2Å
525	L	95.6	Very high	94.4	Very high	22 Å²	22	44.8 Å²	44.8	12%	0.115	22%	0.221	C	C	.	.			trans	-108.3	139.6	-176.7	-57.8	175.1	0	0	0	110.1	I499 R501 G517 G518 E520 R548	I499-L525 HydrophobicContact CG2-CD1 3.95Å; R501-L525 HydrophobicContact CB-CD1 3.95Å; G517-L525 WeakPolarHBondContact CA-O 3.15Å; G518-L525 PolarHBondContact O-N 3.44Å; E520-L525 HydrophobicContact CB-CD1 4.36Å; E520-L525 HydrophobicContact CB-CD2 4.32Å; L525-R548 PolarHBondContact O-N 3.27Å
526	N	97.4	Very high	94.4	Very high	60 Å²	60	48 Å²	48	32%	0.321	24%	0.238	S	C	.	.			trans	-102.6	-5	164.4	68.2	-23.1	0	0	0	112.6	P543 M544 A547	N526-P543 CarbonylContact O-C 3.49Å; N526-P543 WeakPolarHBondContact O-CA 3.44Å; N526-P543 WeakPolarHBondContact O-CB 3.48Å; N526-M544 HydrophobicContact CB-CB 4.18Å; N526-M544 WeakPolarHBondContact CB-O 3.2Å; N526-M544 PolarHBondContact ND2-O 3.48Å; N526-M544 PolarHBondContact O-N 3.15Å; N526-A547 HydrophobicContact CB-CB 3.97Å
527	S	98.2	Very high	94.3	Very high	17 Å²	17	50.4 Å²	50.4	12%	0.119	25%	0.253	C	S	.	.			trans	-70.6	145.1	-178.2	61.2	0	0	0	0	111.8	I499 R501 G517	I499-S527 WeakPolarHBondContact CD1-OG 3.44Å; R501-S527 PolarHBondContact NH1-O 3.4Å; R501-S527 PolarHBondContact NH2-O 2.96Å; R501-S527 VanDerWaalsContact NH2-O 3.17Å; R501-S527 PolarHBondContact NH2-OG 3.49Å; G517-S527 PolarHBondContact N-O 2.99Å
528	V	98.8	Very high	94.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.5	-177.8	-173	0	0	0	0	109.1	I515 I516 I541 M544 W585	I515-V528 WeakPolarHBondContact O-CA 3.48Å; I515-V528 WeakPolarHBondContact O-CG1 3.36Å; I516-V528 HydrophobicContact CB-CG1 4.38Å; I516-V528 HydrophobicContact CB-CG2 4.44Å; I516-V528 HydrophobicContact CG1-CG1 3.67Å; I516-V528 HydrophobicContact CG1-CG2 4.47Å; I516-V528 HydrophobicContact CG2-CG2 3.98Å; V528-I541 HydrophobicContact CB-CD1 4.18Å; V528-I541 HydrophobicContact CB-CG1 3.76Å; V528-I541 HydrophobicContact CG1-CD1 3.59Å; V528-I541 HydrophobicContact CG1-CG1 3.73Å; V528-I541 PolarHBondContact O-N 3.39Å; V528-M544 HydrophobicContact CG2-CG 4.09Å; V528-W585 HydrophobicContact CB-CZ2 4.48Å; V528-W585 HydrophobicContact CG1-CZ2 4.34Å; V528-W585 HydrophobicContact CG2-CZ2 3.73Å
529	E	98.8	Very high	94.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.8	178.4	-60.5	175.7	-121.1	0	0	110	N498 I499 R501 Y514 I515 W538 T539 L540	N498-E529 WeakPolarHBondContact CB-OE2 3.31Å; N498-E529 PolarHBondContact N-OE2 2.58Å; N498-E529 PolarHBondContact ND2-OE2 3.39Å; I499-E529 PolarHBondContact N-OE1 3.34Å; R501-E529 IonicContact CZ-OE1 2.69Å; R501-E529 IonicContact NE-OE1 3.66Å; R501-E529 PolarHBondContact NE-OE1 2.96Å; R501-E529 IonicContact NH2-OE1 3.35Å; R501-E529 PolarHBondContact NH2-OE1 3.33Å; Y514-E529 WeakPolarHBondContact CA-O 3.44Å; I515-E529 HydrophobicContact CG2-CB 3.73Å; I515-E529 PolarHBondContact N-O 3.3Å; I515-E529 PolarHBondContact O-N 2.86Å; E529-W538 HydrophobicContact CB-CE3 3.76Å; E529-W538 HydrophobicContact CB-CZ3 4.38Å; E529-T539 CarbonylContact C-O 3.5Å; E529-T539 WeakPolarHBondContact CA-O 3.49Å; E529-L540 HydrophobicContact CG-CD2 3.56Å; E529-L540 HydrophobicContact CG-CG 4.13Å
530	R	98.8	Very high	94.8	Very high	71 Å²	71	58.7 Å²	58.7	27%	0.268	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.2	175.9	-172.7	-176.2	68.4	-169.9	0.5	110.1	Y512 L513 Y514 W538 T539 I541	Y512-R530 HydrophobicContact CD1-CG 3.96Å; Y512-R530 HydrophobicContact CG-CG 4.07Å; L513-R530 CarbonylContact O-C 3.57Å; L513-R530 VanDerWaalsContact O-CA 3.26Å; L513-R530 WeakPolarHBondContact O-CA 3.38Å; Y514-R530 HydrophobicContact CD1-CB 4.19Å; Y514-R530 HydrophobicContact CD1-CG 4.1Å; Y514-R530 HydrophobicContact CE1-CB 4.09Å; Y514-R530 HydrophobicContact CE1-CG 3.71Å; Y514-R530 HydrophobicContact CE2-CG 4.34Å; Y514-R530 WeakPolarHBondContact OH-CD 3.28Å; R530-W538 WeakPolarHBondContact O-CA 3.37Å; R530-T539 PolarHBondContact N-O 3.19Å; R530-T539 PolarHBondContact O-N 2.8Å; R530-I541 HydrophobicContact CB-CD1 4.38Å; R530-I541 HydrophobicContact CB-CG2 3.86Å
531	Y	98.8	Very high	95.3	Very high	8 Å²	8	56.6 Å²	56.6	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129.3	174.5	-177.5	-115	0	0	0	111.1	Y465 A495 Y512 L513 P533 N536 T537 W538	Y465-Y531 HydrophobicContact CD1-CE1 4.34Å; Y465-Y531 HydrophobicContact CE1-CD1 4.16Å; Y465-Y531 AromaticContact CE1-CE1 3.51Å; Y465-Y531 HydrophobicContact CE1-CE1 3.51Å; A495-Y531 HydrophobicContact CB-CE2 4.45Å; Y512-Y531 WeakPolarHBondContact CA-O 3.49Å; Y512-Y531 WeakPolarHBondContact CB-O 3.49Å; Y512-Y531 WeakPolarHBondContact CD1-O 3.49Å; L513-Y531 HydrophobicContact CD1-CD1 4.16Å; L513-Y531 HydrophobicContact CG-CD1 4.43Å; L513-Y531 PolarHBondContact N-O 3.06Å; L513-Y531 PolarHBondContact O-N 3.24Å; Y531-P533 HydrophobicContact CD1-CB 4.49Å; Y531-P533 HydrophobicContact CE1-CB 3.9Å; Y531-N536 WeakPolarHBondContact CE2-OD1 3.44Å; Y531-N536 PolarHBondContact OH-OD1 2.98Å; Y531-T537 CarbonylContact C-O 3.58Å; Y531-T537 WeakPolarHBondContact CA-O 3.44Å; Y531-T537 WeakPolarHBondContact CD2-O 3.5Å; Y531-W538 AromaticContact CD2-CD1 3.81Å; Y531-W538 AromaticContact CD2-CD2 3.92Å; Y531-W538 HydrophobicContact CD2-CD2 3.92Å; Y531-W538 AromaticContact CD2-CE2 3.61Å; Y531-W538 HydrophobicContact CD2-CG 4.05Å; Y531-W538 HydrophobicContact CD2-CZ2 4.15Å; Y531-W538 AromaticContact CD2-NE1 3.53Å; Y531-W538 HydrophobicContact CG-CD2 4.24Å; Y531-W538 AromaticContact CG-CE2 3.92Å; Y531-W538 HydrophobicContact CG-CH2 4.4Å; Y531-W538 HydrophobicContact CG-CZ2 4.02Å
532	N	98.1	Very high	95.9	Very high	24 Å²	24	55 Å²	55	13%	0.128	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.7	167.5	-178.4	-13.8	0	0	0	109.6	Y512 E534 N535 N536 T537	Y512-N532 HydrophobicContact CD1-CB 4.01Å; Y512-N532 HydrophobicContact CE1-CB 3.8Å; N532-E534 VanDerWaalsContact C-N 3.32Å; N532-E534 PolarHBondContact O-N 3.14Å; N532-E534 WeakPolarHBondContact OD1-CB 3.37Å; N532-E534 PolarHBondContact OD1-N 3.02Å; N532-N535 WeakPolarHBondContact CB-OD1 3.4Å; N532-N535 PolarHBondContact O-OD1 2.96Å; N532-N536 VanDerWaalsContact O-CA 3.31Å; N532-N536 WeakPolarHBondContact O-CA 3.48Å; N532-N536 PolarHBondContact O-N 3.41Å; N532-T537 PolarHBondContact N-O 3.32Å; N532-T537 PolarHBondContact O-N 2.77Å
533	P	97.1	Very high	96.8	Very high	30 Å²	30	49.9 Å²	49.9	20%	0.195	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-24.2	179.1	31.5	-38.5	0	0	0	113.7	L460 G511 Y531	L460-P533 HydrophobicContact CD2-CB 4.22Å; L460-P533 HydrophobicContact CD2-CG 3.99Å; G511-P533 WeakPolarHBondContact O-CD 3.42Å; G511-P533 WeakPolarHBondContact O-CG 3.16Å; Y531-P533 HydrophobicContact CD1-CB 4.49Å; Y531-P533 HydrophobicContact CE1-CB 3.9Å
534	E	97	Very high	97.5	Very high	177 Å²	177	44.5 Å²	44.5	83%	0.827	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-38.2	-175.7	-60.8	-171.7	140.4	0	0	112.5	N532	N532-E534 VanDerWaalsContact C-N 3.32Å; N532-E534 PolarHBondContact O-N 3.14Å; N532-E534 WeakPolarHBondContact OD1-CB 3.37Å; N532-E534 PolarHBondContact OD1-N 3.02Å
535	N	97.3	Very high	97.4	Very high	91 Å²	91	48.2 Å²	48.2	49%	0.487	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	0.8	178.9	69.4	7.4	0	0	0	112.9	N532 T537	N532-N535 WeakPolarHBondContact CB-OD1 3.4Å; N532-N535 PolarHBondContact O-OD1 2.96Å; N535-T537 VanDerWaalsContact CG-OG1 3.26Å; N535-T537 PolarHBondContact ND2-OG1 3.15Å; N535-T537 WeakPolarHBondContact O-CG2 3.41Å; N535-T537 PolarHBondContact OD1-N 3.45Å; N535-T537 PolarHBondContact OD1-OG1 2.63Å
536	N	97.6	Very high	96.9	Very high	68 Å²	68	49.1 Å²	49.1	36%	0.364	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	56.7	-178.7	-173.4	37.1	0	0	0	112.4	C494 A495 Y531 N532	C494-N536 WeakPolarHBondContact CB-OD1 3.46Å; A495-N536 WeakPolarHBondContact CB-O 3.24Å; A495-N536 WeakPolarHBondContact CB-OD1 3.32Å; A495-N536 PolarHBondContact N-OD1 3.26Å; Y531-N536 WeakPolarHBondContact CE2-OD1 3.44Å; Y531-N536 PolarHBondContact OH-OD1 2.98Å; N532-N536 VanDerWaalsContact O-CA 3.31Å; N532-N536 WeakPolarHBondContact O-CA 3.48Å; N532-N536 PolarHBondContact O-N 3.41Å
537	T	98.1	Very high	96.6	Very high	53 Å²	53	47.7 Å²	47.7	33%	0.325	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145	179.7	62.9	0	0	0	0	113.2	Y531 N532 N535	Y531-T537 CarbonylContact C-O 3.58Å; Y531-T537 WeakPolarHBondContact CA-O 3.44Å; Y531-T537 WeakPolarHBondContact CD2-O 3.5Å; N532-T537 PolarHBondContact N-O 3.32Å; N532-T537 PolarHBondContact O-N 2.77Å; N535-T537 VanDerWaalsContact CG-OG1 3.26Å; N535-T537 PolarHBondContact ND2-OG1 3.15Å; N535-T537 WeakPolarHBondContact O-CG2 3.41Å; N535-T537 PolarHBondContact OD1-N 3.45Å; N535-T537 PolarHBondContact OD1-OG1 2.63Å
538	W	98.7	Very high	96.3	Very high	15 Å²	15	46.9 Å²	46.9	6%	0.057	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.4	167.3	-71.6	96.9	0	0	0	110	V467 A495 L497 N498 L513 I515 E529 R530 Y531	V467-W538 HydrophobicContact CG1-CH2 3.69Å; V467-W538 HydrophobicContact CG1-CZ2 3.6Å; V467-W538 HydrophobicContact CG2-CH2 4.2Å; V467-W538 HydrophobicContact CG2-CZ2 4.02Å; A495-W538 PolarHBondContact O-NE1 3.46Å; L497-W538 HydrophobicContact CD2-CD2 3.58Å; L497-W538 HydrophobicContact CD2-CE3 3.83Å; L497-W538 HydrophobicContact CD2-CG 4.1Å; L497-W538 HydrophobicContact CD2-CH2 4.01Å; L497-W538 HydrophobicContact CD2-CZ2 3.77Å; L497-W538 HydrophobicContact CD2-CZ3 4.04Å; N498-W538 PolarHBondContact ND2-O 3.17Å; L513-W538 HydrophobicContact CB-CH2 4.25Å; I515-W538 HydrophobicContact CB-CH2 4.28Å; I515-W538 HydrophobicContact CB-CZ3 4.05Å; I515-W538 HydrophobicContact CG2-CE3 4Å; I515-W538 HydrophobicContact CG2-CH2 3.98Å; I515-W538 HydrophobicContact CG2-CZ3 3.41Å; I515-W538 VanDerWaalsContact CG2-CZ3 3.41Å; E529-W538 HydrophobicContact CB-CE3 3.76Å; E529-W538 HydrophobicContact CB-CZ3 4.38Å; R530-W538 WeakPolarHBondContact O-CA 3.37Å; Y531-W538 AromaticContact CD2-CD1 3.81Å; Y531-W538 AromaticContact CD2-CD2 3.92Å; Y531-W538 HydrophobicContact CD2-CD2 3.92Å; Y531-W538 AromaticContact CD2-CE2 3.61Å; Y531-W538 HydrophobicContact CD2-CG 4.05Å; Y531-W538 HydrophobicContact CD2-CZ2 4.15Å; Y531-W538 AromaticContact CD2-NE1 3.53Å; Y531-W538 HydrophobicContact CG-CD2 4.24Å; Y531-W538 AromaticContact CG-CE2 3.92Å; Y531-W538 HydrophobicContact CG-CH2 4.4Å; Y531-W538 HydrophobicContact CG-CZ2 4.02Å
539	T	98.5	Very high	96.2	Very high	67 Å²	67	49.5 Å²	49.5	41%	0.411	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.8	178.7	-53.5	0	0	0	0	109.9	E529 R530 I541	E529-T539 CarbonylContact C-O 3.5Å; E529-T539 WeakPolarHBondContact CA-O 3.49Å; R530-T539 PolarHBondContact N-O 3.19Å; R530-T539 PolarHBondContact O-N 2.8Å; T539-I541 PolarHBondContact O-N 3.03Å
540	L	98.5	Very high	96.1	Very high	94 Å²	94	49.8 Å²	49.8	49%	0.492	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	129.2	169.2	-78	163.9	0	0	0	109.6	I499 E529	I499-L540 HydrophobicContact CD1-CD2 3.93Å; E529-L540 HydrophobicContact CG-CD2 3.56Å; E529-L540 HydrophobicContact CG-CG 4.13Å
541	I	98.4	Very high	96.1	Very high	23 Å²	23	46.9 Å²	46.9	12%	0.118	26%	0.26	C	S	.	.			trans	-112.9	-173.3	176.1	67	178.2	0	0	0	109.7	Y514 V528 R530 T539 Y578 N583	Y514-I541 HydrophobicContact CD1-CD1 3.67Å; Y514-I541 HydrophobicContact CE1-CD1 3.78Å; V528-I541 HydrophobicContact CB-CD1 4.18Å; V528-I541 HydrophobicContact CB-CG1 3.76Å; V528-I541 HydrophobicContact CG1-CD1 3.59Å; V528-I541 HydrophobicContact CG1-CG1 3.73Å; V528-I541 PolarHBondContact O-N 3.39Å; R530-I541 HydrophobicContact CB-CD1 4.38Å; R530-I541 HydrophobicContact CB-CG2 3.86Å; T539-I541 PolarHBondContact O-N 3.03Å; I541-Y578 HydrophobicContact CD1-CE1 4.07Å; I541-Y578 HydrophobicContact CD1-CE2 4.19Å; I541-N583 WeakPolarHBondContact CB-OD1 3.3Å
542	A	96.3	Very high	96	Very high	21 Å²	21	46.9 Å²	46.9	17%	0.174	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-54.6	131.9	178.2	0	0	0	0	0	111.1	Y578 N583 W585	A542-Y578 HydrophobicContact CB-CE2 4.45Å; A542-N583 WeakPolarHBondContact CB-O 3.39Å; A542-N583 WeakPolarHBondContact CB-OD1 3.24Å; A542-N583 PolarHBondContact N-OD1 3.3Å; A542-N583 VanDerWaalsContact N-OD1 3.08Å; A542-W585 PolarHBondContact O-NE1 3.46Å
543	P	96.4	Very high	96.1	Very high	70 Å²	70	46.7 Å²	46.7	46%	0.455	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-76	155.3	177.7	32.9	-35.3	0	0	0	111	N526 W585	N526-P543 CarbonylContact O-C 3.49Å; N526-P543 WeakPolarHBondContact O-CA 3.44Å; N526-P543 WeakPolarHBondContact O-CB 3.48Å; P543-W585 VanDerWaalsContact C-CD1 3.47Å
544	M	98.1	Very high	96.1	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.015	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-63.3	159.9	168.9	-66.1	-177.9	-66.1	0	0	111.2	I516 N526 V528 R548 V562 W585	I516-M544 HydrophobicContact CG2-CE 3.59Å; I516-M544 HydrophobicContact CG2-CG 4.21Å; I516-M544 HydrophobicContact CG2-SD 3.34Å; I516-M544 WeakPolarHBondContact CG2-SD 3.41Å; N526-M544 HydrophobicContact CB-CB 4.18Å; N526-M544 WeakPolarHBondContact CB-O 3.2Å; N526-M544 PolarHBondContact ND2-O 3.48Å; N526-M544 PolarHBondContact O-N 3.15Å; V528-M544 HydrophobicContact CG2-CG 4.09Å; M544-R548 HydrophobicContact CE-CG 3.61Å; M544-R548 HydrophobicContact SD-CG 4.21Å; M544-V562 HydrophobicContact SD-CB 4.4Å; M544-V562 HydrophobicContact SD-CG1 3.87Å; M544-W585 HydrophobicContact CB-CD2 4.44Å; M544-W585 HydrophobicContact CG-CD2 3.8Å; M544-W585 HydrophobicContact CG-CE3 3.88Å; M544-W585 HydrophobicContact CG-CH2 3.79Å; M544-W585 HydrophobicContact CG-CZ2 3.72Å; M544-W585 HydrophobicContact CG-CZ3 3.85Å; M544-W585 HydrophobicContact SD-CH2 4.23Å; M544-W585 HydrophobicContact SD-CZ3 4.28Å
545	N	88.6	Confident	96.1	Very high	99 Å²	99	39.3 Å²	39.3	53%	0.529	23%	0.229	S	C	.	.	S	Bend	trans	-70.5	-39.3	173.1	-61.6	-79	0	0	0	111.2	E576 M587	N545-E576 VanDerWaalsContact CB-OE2 3.25Å; N545-E576 WeakPolarHBondContact CB-OE2 3.39Å; N545-E576 PolarHBondContact N-OE1 3.27Å; N545-E576 PolarHBondContact N-OE2 3.39Å; N545-E576 PolarHBondContact ND2-OE2 2.92Å; N545-M587 HydrophobicContact CB-SD 4.02Å
546	V	84.7	Confident	96	Very high	40 Å²	40	35.4 Å²	35.4	24%	0.242	21%	0.208	C	C	.	.	S	Bend	trans	-110.6	127.9	-179.1	-176.2	0	0	0	0	110.7	D567 E576	V546-D567 HydrophobicContact CG1-CB 4.27Å; V546-E576 PolarHBondContact N-OE1 3.14Å
547	A	91.3	Very high	95.8	Very high	30 Å²	30	37.1 Å²	37.1	25%	0.248	22%	0.217	C	C	.	.			trans	-71.2	131.2	170.7	0	0	0	0	0	109.7	C524 N526 D567	C524-A547 HydrophobicContact CB-CB 4.16Å; N526-A547 HydrophobicContact CB-CB 3.97Å; A547-D567 VanDerWaalsContact O-CA 3.29Å; A547-D567 WeakPolarHBondContact O-CA 3.39Å; A547-D567 WeakPolarHBondContact O-CB 3.5Å
548	R	93.3	Very high	95.7	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	22%	0.223	C	C	.	.			trans	-151.1	138.9	-174	59.5	-177.3	85.6	-134.3	10.5	111.8	G518 L525 M544 A551 G564 F566 C574 E576	G518-R548 PolarHBondContact N-O 3.44Å; L525-R548 PolarHBondContact O-N 3.27Å; M544-R548 HydrophobicContact CE-CG 3.61Å; M544-R548 HydrophobicContact SD-CG 4.21Å; R548-A551 HydrophobicContact CB-CB 4.47Å; R548-A551 HydrophobicContact CG-CB 3.85Å; R548-G564 WeakPolarHBondContact CD-O 3.34Å; R548-G564 PolarHBondContact NH1-O 2.93Å; R548-F566 CarbonylContact C-O 3.55Å; R548-F566 WeakPolarHBondContact CA-O 3.4Å; R548-C574 PolarHBondContact NH1-O 2.59Å; R548-C574 PolarHBondContact NH1-SG 2.99Å; R548-C574 VanDerWaalsContact NH1-SG 3.4Å; R548-C574 PolarHBondContact NH2-SG 3.41Å; R548-C574 VanDerWaalsContact NH2-SG 3.43Å; R548-E576 IonicContact CZ-OE1 2.78Å; R548-E576 IonicContact NE-OE1 3.61Å; R548-E576 IonicContact NH2-OE1 3.39Å; R548-E576 PolarHBondContact NH2-OE1 3.06Å
549	R	96.2	Very high	95.7	Very high	54 Å²	54	38.9 Å²	38.9	20%	0.204	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-110.3	151.1	164	73.3	-175.1	179.5	112.8	-2.2	110.4	Q503 A519 A551 G565 F566	Q503-R549 HydrophobicContact CB-CB 4.26Å; A519-R549 HydrophobicContact CB-CB 3.98Å; R549-A551 VanDerWaalsContact C-N 3.26Å; R549-A551 PolarHBondContact O-N 2.62Å; R549-G565 CarbonylContact O-C 3.52Å; R549-G565 VanDerWaalsContact O-CA 3.25Å; R549-G565 WeakPolarHBondContact O-CA 3.43Å; R549-F566 HydrophobicContact CG-CB 4.16Å; R549-F566 HydrophobicContact CG-CD1 4.34Å; R549-F566 PolarHBondContact N-O 2.71Å; R549-F566 PolarHBondContact O-N 3.12Å
550	G	96.6	Very high	95.7	Very high	6 Å²	6	35.7 Å²	35.7	6%	0.062	21%	0.213	C	C	.	.	S	Bend	trans	66.6	26.8	178.4	0	0	0	0	0	113.8	Q503 N597	Q503-G550 PolarHBondContact O-N 2.77Å; G550-N597 WeakPolarHBondContact CA-ND2 3.44Å; G550-N597 VanDerWaalsContact O-CA 3.29Å; G550-N597 WeakPolarHBondContact O-CA 3.35Å; G550-N597 PolarHBondContact O-N 3.29Å
551	A	98.1	Very high	95.7	Very high	10 Å²	10	31.7 Å²	31.7	8%	0.083	19%	0.192	C	C	.	.			trans	-76.6	155.7	173.3	0	0	0	0	0	111	A505 R548 R549 V562	A505-A551 WeakPolarHBondContact CB-O 3.31Å; R548-A551 HydrophobicContact CB-CB 4.47Å; R548-A551 HydrophobicContact CG-CB 3.85Å; R549-A551 VanDerWaalsContact C-N 3.26Å; R549-A551 PolarHBondContact O-N 2.62Å; A551-V562 HydrophobicContact CB-CG1 3.98Å
552	G	98.1	Very high	95.7	Very high	9 Å²	9	30.6 Å²	30.6	9%	0.093	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	156.8	168.6	0	0	0	0	0	111.3	V562 G563	G552-V562 WeakPolarHBondContact O-CA 2.99Å; G552-G563 PolarHBondContact N-O 3.07Å; G552-G563 VanDerWaalsContact N-O 3.08Å; G552-G563 PolarHBondContact O-N 3.32Å
553	V	98.6	Very high	95.7	Very high	20 Å²	20	29.7 Å²	29.7	12%	0.121	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	135.5	174	64.2	0	0	0	0	110.8	A505 C507 I516 L560 F561 V562	A505-V553 HydrophobicContact CB-CB 3.83Å; A505-V553 HydrophobicContact CB-CG1 3.69Å; C507-V553 HydrophobicContact CB-CG1 3.79Å; C507-V553 HydrophobicContact CB-CG2 4.3Å; I516-V553 HydrophobicContact CD1-CB 4.34Å; I516-V553 HydrophobicContact CD1-CG2 3.84Å; V553-L560 HydrophobicContact CG2-CB 4.28Å; V553-F561 CarbonylContact C-O 3.5Å; V553-F561 VanDerWaalsContact CA-O 3.31Å; V553-F561 WeakPolarHBondContact CA-O 3.36Å; V553-V562 HydrophobicContact CB-CG2 4.2Å; V553-V562 HydrophobicContact CG2-CG2 3.81Å
554	A	98.1	Very high	95.7	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.033	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.6	168	0	0	0	0	0	110.5	F561 I600 A602 I607	A554-F561 PolarHBondContact N-O 3.21Å; A554-F561 PolarHBondContact O-N 3.08Å; A554-I600 HydrophobicContact CB-CG2 3.87Å; A554-A602 HydrophobicContact CB-CB 4.23Å; A554-I607 HydrophobicContact CB-CD1 4.41Å; A554-I607 HydrophobicContact CB-CG1 4.26Å; A554-I607 HydrophobicContact CB-CG2 3.79Å
555	V	97.6	Very high	95.7	Very high	48 Å²	48	26.2 Å²	26.2	29%	0.291	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124	173.7	-177.6	0	0	0	0	108	C507 E508 L509 K559 L560 A602	C507-V555 HydrophobicContact CB-CG2 3.76Å; E508-V555 WeakPolarHBondContact O-CG2 3.42Å; L509-V555 HydrophobicContact CB-CG1 4.29Å; L509-V555 HydrophobicContact CD1-CG1 3.78Å; L509-V555 HydrophobicContact CD2-CG1 4.47Å; L509-V555 HydrophobicContact CG-CG1 4.39Å; V555-K559 WeakPolarHBondContact CA-O 3.39Å; V555-L560 HydrophobicContact CG2-CD2 3.84Å; V555-A602 WeakPolarHBondContact O-CB 3.46Å
556	H	95	Very high	95.9	Very high	9 Å²	9	23.9 Å²	23.9	4%	0.042	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	136.3	-178.2	-170.7	80.5	0	0	0	110.4	G558 K559 F561 N605 I607 L627	H556-G558 PolarHBondContact O-N 2.95Å; H556-G558 VanDerWaalsContact O-N 3.13Å; H556-K559 PolarHBondContact N-O 2.78Å; H556-K559 PolarHBondContact O-N 3.03Å; H556-F561 HydrophobicContact CB-CD2 4.08Å; H556-F561 HydrophobicContact CB-CE2 4.02Å; H556-N605 VanDerWaalsContact CE1-C 3.44Å; H556-N605 PolarHBondContact CE1-O 3.48Å; H556-N605 PolarHBondContact CE1-OD1 3.15Å; H556-N605 VanDerWaalsContact CE1-OD1 3.29Å; H556-I607 HydrophobicContact CB-CD1 3.89Å; H556-I607 HydrophobicContact CB-CG1 4.11Å; H556-L627 WeakPolarHBondContact CD2-CD1 3.45Å; H556-L627 WeakPolarHBondContact NE2-CD1 3.45Å
557	D	93.4	Very high	96.1	Very high	103 Å²	103	24.6 Å²	24.6	55%	0.551	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.6	42.7	-179	-78.6	-13	0	0	0	114.5	K559	D557-K559 PolarHBondContact O-N 3.16Å; D557-K559 PolarHBondContact O-NZ 2.99Å
558	G	95.9	Very high	95.5	Very high	44 Å²	44	25.1 Å²	25.1	45%	0.454	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	22.6	179.9	0	0	0	0	0	114.3	L509 H556	L509-G558 WeakPolarHBondContact CD2-O 3.46Å; H556-G558 PolarHBondContact O-N 2.95Å; H556-G558 VanDerWaalsContact O-N 3.13Å
559	K	97.8	Very high	94.5	Very high	61 Å²	61	29.2 Å²	29.2	27%	0.265	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	159.3	-178.8	-62.6	-180	-157.7	68.2	0	110.5	V555 H556 D557 F561 M577 Y578	V555-K559 WeakPolarHBondContact CA-O 3.39Å; H556-K559 PolarHBondContact N-O 2.78Å; H556-K559 PolarHBondContact O-N 3.03Å; D557-K559 PolarHBondContact O-N 3.16Å; D557-K559 PolarHBondContact O-NZ 2.99Å; K559-F561 HydrophobicContact CB-CE2 4.11Å; K559-M577 HydrophobicContact CB-CG 4.02Å; K559-M577 HydrophobicContact CB-SD 4.36Å; K559-M577 HydrophobicContact CD-CE 3.91Å; K559-M577 HydrophobicContact CD-CG 4.13Å; K559-M577 HydrophobicContact CD-SD 3.34Å; K559-M577 WeakPolarHBondContact CD-SD 3.31Å; K559-M577 HydrophobicContact CG-SD 4.39Å; K559-Y578 WeakPolarHBondContact CB-O 3.36Å
560	L	98.6	Very high	93.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.2	178.7	-43.6	178.4	0	0	0	108.6	L509 Y514 I516 V553 V555 M577 Y578	L509-L560 HydrophobicContact CB-CD2 3.86Å; L509-L560 HydrophobicContact CD2-CD2 3.47Å; L509-L560 VanDerWaalsContact CD2-CD2 3.47Å; L509-L560 HydrophobicContact CD2-CG 4.09Å; L509-L560 HydrophobicContact CG-CD2 4.3Å; Y514-L560 HydrophobicContact CD1-CD1 3.71Å; Y514-L560 HydrophobicContact CD2-CD1 4.05Å; Y514-L560 HydrophobicContact CE1-CD1 4.23Å; Y514-L560 HydrophobicContact CG-CD1 3.62Å; I516-L560 HydrophobicContact CD1-CD1 4.19Å; V553-L560 HydrophobicContact CG2-CB 4.28Å; V555-L560 HydrophobicContact CG2-CD2 3.84Å; L560-M577 CarbonylContact O-C 3.54Å; L560-M577 VanDerWaalsContact O-CA 3.22Å; L560-M577 WeakPolarHBondContact O-CA 3.35Å; L560-Y578 HydrophobicContact CD1-CD1 3.76Å; L560-Y578 HydrophobicContact CD1-CG 4.44Å; L560-Y578 HydrophobicContact CG-CD1 4.1Å; L560-Y578 PolarHBondContact N-O 3.13Å; L560-Y578 PolarHBondContact O-N 2.99Å
561	F	98.5	Very high	93.4	Very high	11 Å²	11	33 Å²	33	5%	0.048	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.6	174.1	-72.3	-100.7	0	0	0	108.6	V553 A554 H556 K559 M577 M588 I607 Y625 L627	V553-F561 CarbonylContact C-O 3.5Å; V553-F561 VanDerWaalsContact CA-O 3.31Å; V553-F561 WeakPolarHBondContact CA-O 3.36Å; A554-F561 PolarHBondContact N-O 3.21Å; A554-F561 PolarHBondContact O-N 3.08Å; H556-F561 HydrophobicContact CB-CD2 4.08Å; H556-F561 HydrophobicContact CB-CE2 4.02Å; K559-F561 HydrophobicContact CB-CE2 4.11Å; F561-M577 HydrophobicContact CD1-CB 4.14Å; F561-M577 HydrophobicContact CD1-CG 4.23Å; F561-M577 HydrophobicContact CD2-CG 4.37Å; F561-M577 HydrophobicContact CE1-CB 4.03Å; F561-M577 HydrophobicContact CE1-CG 3.87Å; F561-M577 HydrophobicContact CE2-CG 4.02Å; F561-M577 HydrophobicContact CG-CG 4.47Å; F561-M577 HydrophobicContact CZ-CB 4.43Å; F561-M577 HydrophobicContact CZ-CG 3.76Å; F561-M577 HydrophobicContact CZ-SD 4.21Å; F561-M588 HydrophobicContact CE1-CE 4.33Å; F561-M588 HydrophobicContact CE1-CG 4.4Å; F561-I607 HydrophobicContact CB-CD1 3.74Å; F561-I607 HydrophobicContact CD1-CD1 3.93Å; F561-I607 HydrophobicContact CD2-CD1 3.6Å; F561-I607 HydrophobicContact CE1-CD1 4.42Å; F561-I607 HydrophobicContact CE2-CD1 4.14Å; F561-I607 HydrophobicContact CG-CD1 3.48Å; F561-I607 VanDerWaalsContact CG-CD1 3.48Å; F561-Y625 HydrophobicContact CD1-CE1 4.19Å; F561-Y625 AromaticContact CE1-CE1 3.73Å; F561-Y625 HydrophobicContact CE1-CE1 3.73Å; F561-Y625 HydrophobicContact CZ-CE1 4.48Å; F561-L627 HydrophobicContact CE1-CD2 4.22Å; F561-L627 HydrophobicContact CE2-CD2 4.37Å; F561-L627 HydrophobicContact CZ-CD2 3.69Å
562	V	98.6	Very high	92.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.8	-178.2	-179.1	0	0	0	0	108.5	I516 M544 A551 G552 V553 V575 E576 W585	I516-V562 HydrophobicContact CD1-CG2 3.87Å; I516-V562 HydrophobicContact CG2-CG1 4.22Å; I516-V562 HydrophobicContact CG2-CG2 3.99Å; M544-V562 HydrophobicContact SD-CB 4.4Å; M544-V562 HydrophobicContact SD-CG1 3.87Å; A551-V562 HydrophobicContact CB-CG1 3.98Å; G552-V562 WeakPolarHBondContact O-CA 2.99Å; V553-V562 HydrophobicContact CB-CG2 4.2Å; V553-V562 HydrophobicContact CG2-CG2 3.81Å; V562-V575 CarbonylContact O-C 3.58Å; V562-V575 VanDerWaalsContact O-CA 3.28Å; V562-V575 WeakPolarHBondContact O-CA 3.15Å; V562-E576 PolarHBondContact N-O 3Å; V562-E576 PolarHBondContact O-N 2.95Å; V562-W585 HydrophobicContact CB-CH2 4.46Å; V562-W585 HydrophobicContact CB-CZ3 4.03Å; V562-W585 HydrophobicContact CG2-CH2 3.63Å; V562-W585 HydrophobicContact CG2-CZ3 3.6Å
563	G	96.1	Very high	92.8	Very high	2 Å²	2	34.5 Å²	34.5	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	147.9	-175.3	0	0	0	0	0	112.5	G552 I600	G552-G563 PolarHBondContact N-O 3.07Å; G552-G563 VanDerWaalsContact N-O 3.08Å; G552-G563 PolarHBondContact O-N 3.32Å; G563-I600 VanDerWaalsContact C-CD1 3.48Å; G563-I600 VanDerWaalsContact CA-CD1 3.42Å; G563-I600 WeakPolarHBondContact O-CD1 3.37Å
564	G	97.3	Very high	92.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.209	C	C	.	.			trans	68	-146.7	171.7	0	0	0	0	0	114.3	R548 V572 C574 M591 R595	R548-G564 WeakPolarHBondContact CD-O 3.34Å; R548-G564 PolarHBondContact NH1-O 2.93Å; G564-V572 VanDerWaalsContact CA-O 3.28Å; G564-V572 WeakPolarHBondContact CA-O 3.29Å; G564-V572 WeakPolarHBondContact O-CG2 3.32Å; G564-C574 PolarHBondContact N-O 3.5Å; G564-M591 VanDerWaalsContact CA-CE 3.49Å; G564-R595 CarbonylContact C-O 3.59Å; G564-R595 VanDerWaalsContact CA-O 3.28Å; G564-R595 WeakPolarHBondContact CA-O 3.35Å
565	G	97.4	Very high	92.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.208	C	C	.	.			trans	93.2	-169.8	-171.4	0	0	0	0	0	113	R549 A571 V572 R595 S596	R549-G565 CarbonylContact O-C 3.52Å; R549-G565 VanDerWaalsContact O-CA 3.25Å; R549-G565 WeakPolarHBondContact O-CA 3.43Å; G565-A571 WeakPolarHBondContact O-CA 3.42Å; G565-V572 PolarHBondContact O-N 3.24Å; G565-R595 PolarHBondContact N-O 2.89Å; G565-S596 WeakPolarHBondContact O-CB 3.35Å
566	F	93.8	Very high	92.4	Very high	49 Å²	49	32 Å²	32	22%	0.215	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-122.8	129	177.1	179.9	-96.3	0	0	0	109.1	C524 R548 R549 G568 S569 H570	C524-F566 PolarHBondContact SG-O 3.5Å; R548-F566 CarbonylContact C-O 3.55Å; R548-F566 WeakPolarHBondContact CA-O 3.4Å; R549-F566 HydrophobicContact CG-CB 4.16Å; R549-F566 HydrophobicContact CG-CD1 4.34Å; R549-F566 PolarHBondContact N-O 2.71Å; R549-F566 PolarHBondContact O-N 3.12Å; F566-G568 VanDerWaalsContact CD1-N 3.27Å; F566-S569 VanDerWaalsContact CE2-C 3.43Å; F566-S569 WeakPolarHBondContact CE2-O 3.44Å; F566-H570 WeakPolarHBondContact CA-O 3.4Å; F566-H570 VanDerWaalsContact CD2-O 3.28Å; F566-H570 WeakPolarHBondContact CD2-O 3.39Å
567	D	88.3	Confident	92.5	Very high	56 Å²	56	32.7 Å²	32.7	30%	0.299	20%	0.198	S	C	.	.			trans	-90.4	-4.5	-172.4	68.1	-2.1	0	0	0	114.7	C524 V546 A547 S569 H570 V572	C524-D567 VanDerWaalsContact SG-C 3.58Å; V546-D567 HydrophobicContact CG1-CB 4.27Å; A547-D567 VanDerWaalsContact O-CA 3.29Å; A547-D567 WeakPolarHBondContact O-CA 3.39Å; A547-D567 WeakPolarHBondContact O-CB 3.5Å; D567-S569 WeakPolarHBondContact OD1-CA 3.43Å; D567-S569 PolarHBondContact OD1-N 2.9Å; D567-H570 PolarHBondContact N-O 2.94Å; D567-H570 VanDerWaalsContact N-O 3.13Å; D567-H570 PolarHBondContact OD1-N 3.09Å; D567-V572 HydrophobicContact CB-CG1 3.97Å
568	G	78.8	Confident	92.8	Very high	40 Å²	40	27.9 Å²	27.9	41%	0.412	17%	0.171	S	C	.	.	S	Bend	trans	115.7	-18.6	-170.9	0	0	0	0	0	112.4	C524 F566	C524-G568 PolarHBondContact SG-N 3.2Å; F566-G568 VanDerWaalsContact CD1-N 3.27Å
569	S	72.9	Confident	92.9	Very high	87 Å²	87	27 Å²	27	61%	0.608	16%	0.157	S	C	*	.	S	Bend	trans	-130.6	-44.1	-179.9	-60.4	0	0	0	0	112.7	F566 D567	F566-S569 VanDerWaalsContact CE2-C 3.43Å; F566-S569 WeakPolarHBondContact CE2-O 3.44Å; D567-S569 WeakPolarHBondContact OD1-CA 3.43Å; D567-S569 PolarHBondContact OD1-N 2.9Å
570	H	78.4	Confident	92.9	Very high	128 Å²	128	25.9 Å²	25.9	59%	0.593	16%	0.156	S	C	*	.	S	Bend	trans	-131.3	152.7	-174.3	-51.8	95	0	0	0	111.5	F566 D567	F566-H570 WeakPolarHBondContact CA-O 3.4Å; F566-H570 VanDerWaalsContact CD2-O 3.28Å; F566-H570 WeakPolarHBondContact CD2-O 3.39Å; D567-H570 PolarHBondContact N-O 2.94Å; D567-H570 VanDerWaalsContact N-O 3.13Å; D567-H570 PolarHBondContact OD1-N 3.09Å
571	A	89.4	Confident	92.8	Very high	11 Å²	11	30.5 Å²	30.5	9%	0.091	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-66.4	133.3	156.1	0	0	0	0	0	107.7	G565 P594 F613 D614	G565-A571 WeakPolarHBondContact O-CA 3.42Å; A571-P594 HydrophobicContact CB-CB 4.22Å; A571-P594 WeakPolarHBondContact O-CB 3.33Å; A571-F613 WeakPolarHBondContact CB-O 3.36Å; A571-D614 VanDerWaalsContact CB-C 3.48Å; A571-D614 WeakPolarHBondContact CB-O 3.31Å
572	V	88.3	Confident	92.7	Very high	19 Å²	19	36.2 Å²	36.2	12%	0.115	22%	0.218	C	C	.	.			trans	-109.3	155.7	-175	-61.4	0	0	0	0	111	G564 G565 D567 R595	G564-V572 VanDerWaalsContact CA-O 3.28Å; G564-V572 WeakPolarHBondContact CA-O 3.29Å; G564-V572 WeakPolarHBondContact O-CG2 3.32Å; G565-V572 PolarHBondContact O-N 3.24Å; D567-V572 HydrophobicContact CB-CG1 3.97Å; V572-R595 PolarHBondContact O-N 3.22Å
573	S	95.4	Very high	92.6	Very high	32 Å²	32	39.6 Å²	39.6	22%	0.224	24%	0.236	C	C	.	.			trans	-105.9	-6.7	172.3	58.8	0	0	0	0	113	S590 M591	S573-S590 CarbonylContact O-C 3.56Å; S573-S590 WeakPolarHBondContact O-CA 3.3Å; S573-M591 WeakPolarHBondContact CB-O 3.42Å; S573-M591 PolarHBondContact O-N 3.42Å
574	C	90.4	Very high	92.6	Very high	18 Å²	18	45.3 Å²	45.3	12%	0.122	26%	0.262	C	S	.	.			trans	-66.6	141.6	-174.4	66.7	0	0	0	0	112	R548 G564 M587	R548-C574 PolarHBondContact NH1-O 2.59Å; R548-C574 PolarHBondContact NH1-SG 2.99Å; R548-C574 VanDerWaalsContact NH1-SG 3.4Å; R548-C574 PolarHBondContact NH2-SG 3.41Å; R548-C574 VanDerWaalsContact NH2-SG 3.43Å; G564-C574 PolarHBondContact N-O 3.5Å; C574-M587 HydrophobicContact CB-CE 3.88Å
575	V	98	Very high	92.6	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	137.6	179.9	-176.6	0	0	0	0	109.4	V562 M588 M591 W632	V562-V575 CarbonylContact O-C 3.58Å; V562-V575 VanDerWaalsContact O-CA 3.28Å; V562-V575 WeakPolarHBondContact O-CA 3.15Å; V575-M588 HydrophobicContact CB-CB 4.26Å; V575-M588 HydrophobicContact CG1-CB 4.23Å; V575-M588 PolarHBondContact O-N 3.43Å; V575-M591 HydrophobicContact CG2-CG 3.97Å; V575-W632 HydrophobicContact CG2-CZ2 3.89Å
576	E	97.9	Very high	92.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.7	177.8	-58.2	-173.1	-122.8	0	0	110.3	N545 V546 R548 V562 W585 K586 M587	N545-E576 VanDerWaalsContact CB-OE2 3.25Å; N545-E576 WeakPolarHBondContact CB-OE2 3.39Å; N545-E576 PolarHBondContact N-OE1 3.27Å; N545-E576 PolarHBondContact N-OE2 3.39Å; N545-E576 PolarHBondContact ND2-OE2 2.92Å; V546-E576 PolarHBondContact N-OE1 3.14Å; R548-E576 IonicContact CZ-OE1 2.78Å; R548-E576 IonicContact NE-OE1 3.61Å; R548-E576 IonicContact NH2-OE1 3.39Å; R548-E576 PolarHBondContact NH2-OE1 3.06Å; V562-E576 PolarHBondContact N-O 3Å; V562-E576 PolarHBondContact O-N 2.95Å; E576-W585 HydrophobicContact CB-CE3 3.69Å; E576-W585 HydrophobicContact CB-CZ3 4.18Å; E576-K586 CarbonylContact C-O 3.5Å; E576-K586 WeakPolarHBondContact CA-O 3.34Å; E576-M587 HydrophobicContact CG-CE 4.14Å; E576-M587 HydrophobicContact CG-SD 3.53Å; E576-M587 VanDerWaalsContact CG-SD 3.53Å
577	M	98.4	Very high	92.6	Very high	24 Å²	24	54.6 Å²	54.6	12%	0.118	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.7	177.4	-178.1	-141.5	74.7	0	0	110.2	K559 L560 F561 D579 W585 K586 M588	K559-M577 HydrophobicContact CB-CG 4.02Å; K559-M577 HydrophobicContact CB-SD 4.36Å; K559-M577 HydrophobicContact CD-CE 3.91Å; K559-M577 HydrophobicContact CD-CG 4.13Å; K559-M577 HydrophobicContact CD-SD 3.34Å; K559-M577 WeakPolarHBondContact CD-SD 3.31Å; K559-M577 HydrophobicContact CG-SD 4.39Å; L560-M577 CarbonylContact O-C 3.54Å; L560-M577 VanDerWaalsContact O-CA 3.22Å; L560-M577 WeakPolarHBondContact O-CA 3.35Å; F561-M577 HydrophobicContact CD1-CB 4.14Å; F561-M577 HydrophobicContact CD1-CG 4.23Å; F561-M577 HydrophobicContact CD2-CG 4.37Å; F561-M577 HydrophobicContact CE1-CB 4.03Å; F561-M577 HydrophobicContact CE1-CG 3.87Å; F561-M577 HydrophobicContact CE2-CG 4.02Å; F561-M577 HydrophobicContact CG-CG 4.47Å; F561-M577 HydrophobicContact CZ-CB 4.43Å; F561-M577 HydrophobicContact CZ-CG 3.76Å; F561-M577 HydrophobicContact CZ-SD 4.21Å; M577-D579 HydrophobicContact CE-CB 4.06Å; M577-W585 CarbonylContact O-C 3.55Å; M577-W585 WeakPolarHBondContact O-CA 3.49Å; M577-K586 HydrophobicContact CE-CB 4.35Å; M577-K586 PolarHBondContact N-O 3.29Å; M577-K586 PolarHBondContact O-N 3.32Å; M577-M588 HydrophobicContact CB-CG 3.57Å; M577-M588 HydrophobicContact CB-SD 3.67Å; M577-M588 HydrophobicContact SD-SD 4.44Å
578	Y	98.8	Very high	92.9	Very high	1 Å²	1	53.4 Å²	53.4	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	129.2	171.6	-179.9	-107.9	0	0	0	111	Y514 I541 A542 K559 L560 P580 N583 E584 W585	Y514-Y578 AromaticContact CE1-CE1 3.88Å; Y514-Y578 HydrophobicContact CE1-CE1 3.88Å; I541-Y578 HydrophobicContact CD1-CE1 4.07Å; I541-Y578 HydrophobicContact CD1-CE2 4.19Å; A542-Y578 HydrophobicContact CB-CE2 4.45Å; K559-Y578 WeakPolarHBondContact CB-O 3.36Å; L560-Y578 HydrophobicContact CD1-CD1 3.76Å; L560-Y578 HydrophobicContact CD1-CG 4.44Å; L560-Y578 HydrophobicContact CG-CD1 4.1Å; L560-Y578 PolarHBondContact N-O 3.13Å; L560-Y578 PolarHBondContact O-N 2.99Å; Y578-P580 HydrophobicContact CD1-CG 3.95Å; Y578-P580 HydrophobicContact CE1-CB 3.93Å; Y578-P580 HydrophobicContact CE1-CG 3.85Å; Y578-P580 WeakPolarHBondContact O-CD 3.29Å; Y578-N583 WeakPolarHBondContact CE2-OD1 3.34Å; Y578-N583 WeakPolarHBondContact OH-CA 3.35Å; Y578-N583 PolarHBondContact OH-OD1 2.85Å; Y578-E584 WeakPolarHBondContact CA-O 3.34Å; Y578-E584 WeakPolarHBondContact CD2-O 3.46Å; Y578-W585 AromaticContact CD2-CD1 3.85Å; Y578-W585 HydrophobicContact CD2-CD2 4.03Å; Y578-W585 AromaticContact CD2-CE2 3.57Å; Y578-W585 HydrophobicContact CD2-CG 4.18Å; Y578-W585 AromaticContact CD2-CZ2 3.95Å; Y578-W585 HydrophobicContact CD2-CZ2 3.95Å; Y578-W585 AromaticContact CD2-NE1 3.47Å; Y578-W585 HydrophobicContact CG-CD2 4.4Å; Y578-W585 AromaticContact CG-CE2 3.98Å; Y578-W585 HydrophobicContact CG-CH2 4.39Å; Y578-W585 AromaticContact CG-CZ2 3.95Å; Y578-W585 HydrophobicContact CG-CZ2 3.95Å
579	D	97.9	Very high	93.4	Very high	27 Å²	27	52.6 Å²	52.6	14%	0.144	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	106.2	171.4	-174.6	-18.1	0	0	0	109.8	M577 A581 K582 N583 E584	M577-D579 HydrophobicContact CE-CB 4.06Å; D579-A581 PolarHBondContact O-N 3.11Å; D579-A581 WeakPolarHBondContact OD1-CB 3.15Å; D579-A581 PolarHBondContact OD1-N 3.39Å; D579-K582 HydrophobicContact CB-CB 4.4Å; D579-K582 PolarHBondContact O-N 3.17Å; D579-K582 VanDerWaalsContact O-N 3.16Å; D579-K582 IonicContact OD2-NZ 3.85Å; D579-N583 PolarHBondContact O-N 3.14Å; D579-E584 PolarHBondContact N-O 2.91Å
580	P	97.2	Very high	94.3	Very high	37 Å²	37	51.4 Å²	51.4	24%	0.24	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.6	-179.3	-20.7	30.9	0	0	0	114.3	L509 Y578 K582	L509-P580 HydrophobicContact CD2-CG 3.61Å; Y578-P580 HydrophobicContact CD1-CG 3.95Å; Y578-P580 HydrophobicContact CE1-CB 3.93Å; Y578-P580 HydrophobicContact CE1-CG 3.85Å; Y578-P580 WeakPolarHBondContact O-CD 3.29Å; P580-K582 VanDerWaalsContact C-N 3.3Å
581	A	97.1	Very high	95.1	Very high	96 Å²	96	45.6 Å²	45.6	79%	0.793	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-27.8	179.6	0	0	0	0	0	111.9	D579	D579-A581 PolarHBondContact O-N 3.11Å; D579-A581 WeakPolarHBondContact OD1-CB 3.15Å; D579-A581 PolarHBondContact OD1-N 3.39Å
582	K	96.8	Very high	95.3	Very high	132 Å²	132	48.6 Å²	48.6	57%	0.574	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-19.6	179.4	-61.5	178.9	-173.3	169.7	0	113.1	D579 P580 E584	D579-K582 HydrophobicContact CB-CB 4.4Å; D579-K582 PolarHBondContact O-N 3.17Å; D579-K582 VanDerWaalsContact O-N 3.16Å; D579-K582 IonicContact OD2-NZ 3.85Å; P580-K582 VanDerWaalsContact C-N 3.3Å; K582-E584 HydrophobicContact CB-CB 4.19Å; K582-E584 HydrophobicContact CB-CG 4.19Å
583	N	96.6	Very high	95.3	Very high	71 Å²	71	49.4 Å²	49.4	38%	0.38	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	50.5	-169.3	-176.7	42.6	0	0	0	111.6	I541 A542 Y578 D579	I541-N583 WeakPolarHBondContact CB-OD1 3.3Å; A542-N583 WeakPolarHBondContact CB-O 3.39Å; A542-N583 WeakPolarHBondContact CB-OD1 3.24Å; A542-N583 PolarHBondContact N-OD1 3.3Å; A542-N583 VanDerWaalsContact N-OD1 3.08Å; Y578-N583 WeakPolarHBondContact CE2-OD1 3.34Å; Y578-N583 WeakPolarHBondContact OH-CA 3.35Å; Y578-N583 PolarHBondContact OH-OD1 2.85Å; D579-N583 PolarHBondContact O-N 3.14Å
584	E	96.3	Very high	95.2	Very high	121 Å²	121	50.1 Å²	50.1	57%	0.565	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	149.2	-175.9	-71.5	175.5	178.4	0	0	111.3	Y578 D579 K582	Y578-E584 WeakPolarHBondContact CA-O 3.34Å; Y578-E584 WeakPolarHBondContact CD2-O 3.46Å; D579-E584 PolarHBondContact N-O 2.91Å; K582-E584 HydrophobicContact CB-CB 4.19Å; K582-E584 HydrophobicContact CB-CG 4.19Å
585	W	97.7	Very high	95.5	Very high	27 Å²	27	49.4 Å²	49.4	10%	0.102	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	139.6	173.9	-68.5	86.8	0	0	0	110.7	I516 V528 A542 P543 M544 V562 E576 M577 Y578	I516-W585 HydrophobicContact CD1-CH2 4.47Å; I516-W585 HydrophobicContact CG2-CH2 4.06Å; I516-W585 HydrophobicContact CG2-CZ2 4.47Å; V528-W585 HydrophobicContact CB-CZ2 4.48Å; V528-W585 HydrophobicContact CG1-CZ2 4.34Å; V528-W585 HydrophobicContact CG2-CZ2 3.73Å; A542-W585 PolarHBondContact O-NE1 3.46Å; P543-W585 VanDerWaalsContact C-CD1 3.47Å; M544-W585 HydrophobicContact CB-CD2 4.44Å; M544-W585 HydrophobicContact CG-CD2 3.8Å; M544-W585 HydrophobicContact CG-CE3 3.88Å; M544-W585 HydrophobicContact CG-CH2 3.79Å; M544-W585 HydrophobicContact CG-CZ2 3.72Å; M544-W585 HydrophobicContact CG-CZ3 3.85Å; M544-W585 HydrophobicContact SD-CH2 4.23Å; M544-W585 HydrophobicContact SD-CZ3 4.28Å; V562-W585 HydrophobicContact CB-CH2 4.46Å; V562-W585 HydrophobicContact CB-CZ3 4.03Å; V562-W585 HydrophobicContact CG2-CH2 3.63Å; V562-W585 HydrophobicContact CG2-CZ3 3.6Å; E576-W585 HydrophobicContact CB-CE3 3.69Å; E576-W585 HydrophobicContact CB-CZ3 4.18Å; M577-W585 CarbonylContact O-C 3.55Å; M577-W585 WeakPolarHBondContact O-CA 3.49Å; Y578-W585 AromaticContact CD2-CD1 3.85Å; Y578-W585 HydrophobicContact CD2-CD2 4.03Å; Y578-W585 AromaticContact CD2-CE2 3.57Å; Y578-W585 HydrophobicContact CD2-CG 4.18Å; Y578-W585 AromaticContact CD2-CZ2 3.95Å; Y578-W585 HydrophobicContact CD2-CZ2 3.95Å; Y578-W585 AromaticContact CD2-NE1 3.47Å; Y578-W585 HydrophobicContact CG-CD2 4.4Å; Y578-W585 AromaticContact CG-CE2 3.98Å; Y578-W585 HydrophobicContact CG-CH2 4.39Å; Y578-W585 AromaticContact CG-CZ2 3.95Å; Y578-W585 HydrophobicContact CG-CZ2 3.95Å
586	K	94.8	Very high	95.5	Very high	132 Å²	132	49.5 Å²	49.5	57%	0.574	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.6	175.8	-174.7	-175.7	173.5	-171.9	0	110.1	E576 M577 M588	E576-K586 CarbonylContact C-O 3.5Å; E576-K586 WeakPolarHBondContact CA-O 3.34Å; M577-K586 HydrophobicContact CE-CB 4.35Å; M577-K586 PolarHBondContact N-O 3.29Å; M577-K586 PolarHBondContact O-N 3.32Å; K586-M588 HydrophobicContact CD-SD 4.27Å; K586-M588 HydrophobicContact CG-SD 4.32Å; K586-M588 PolarHBondContact O-N 3.04Å
587	M	94.6	Very high	95.5	Very high	86 Å²	86	50.9 Å²	50.9	42%	0.424	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	131.6	170	-62	-59	-57.3	0	0	110.2	N545 C574 E576	N545-M587 HydrophobicContact CB-SD 4.02Å; C574-M587 HydrophobicContact CB-CE 3.88Å; E576-M587 HydrophobicContact CG-CE 4.14Å; E576-M587 HydrophobicContact CG-SD 3.53Å; E576-M587 VanDerWaalsContact CG-SD 3.53Å
588	M	95.3	Very high	95.4	Very high	30 Å²	30	50.3 Å²	50.3	15%	0.148	28%	0.28	C	S	.	.			trans	-109.4	179.6	174.9	-53.2	-52.9	-67	0	0	109.6	F561 V575 M577 K586 S590 Y625	F561-M588 HydrophobicContact CE1-CE 4.33Å; F561-M588 HydrophobicContact CE1-CG 4.4Å; V575-M588 HydrophobicContact CB-CB 4.26Å; V575-M588 HydrophobicContact CG1-CB 4.23Å; V575-M588 PolarHBondContact O-N 3.43Å; M577-M588 HydrophobicContact CB-CG 3.57Å; M577-M588 HydrophobicContact CB-SD 3.67Å; M577-M588 HydrophobicContact SD-SD 4.44Å; K586-M588 HydrophobicContact CD-SD 4.27Å; K586-M588 HydrophobicContact CG-SD 4.32Å; K586-M588 PolarHBondContact O-N 3.04Å; M588-S590 PolarHBondContact O-N 2.98Å; M588-Y625 VanDerWaalsContact CE-OH 3.23Å; M588-Y625 WeakPolarHBondContact CE-OH 3.5Å
589	A	89.3	Confident	95.4	Very high	24 Å²	24	50.4 Å²	50.4	20%	0.198	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-62.3	139.6	172.5	0	0	0	0	0	111.6	N630 W632	A589-N630 WeakPolarHBondContact CB-O 3.4Å; A589-N630 PolarHBondContact N-OD1 2.71Å; A589-W632 VanDerWaalsContact O-CD1 3.26Å; A589-W632 PolarHBondContact O-NE1 3.22Å
590	S	93	Very high	95.4	Very high	62 Å²	62	49.6 Å²	49.6	43%	0.434	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-71.6	148.3	176.7	-60.6	0	0	0	0	111.2	S573 M588 W632	S573-S590 CarbonylContact O-C 3.56Å; S573-S590 WeakPolarHBondContact O-CA 3.3Å; M588-S590 PolarHBondContact O-N 2.98Å; S590-W632 VanDerWaalsContact C-CD1 3.4Å
591	M	94.9	Very high	95.4	Very high	6 Å²	6	48.5 Å²	48.5	3%	0.03	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-58	153.7	167.2	-67.2	177.9	-59	0	0	110.7	G564 S573 V575 T593 R595 I600 A609 W632	G564-M591 VanDerWaalsContact CA-CE 3.49Å; S573-M591 WeakPolarHBondContact CB-O 3.42Å; S573-M591 PolarHBondContact O-N 3.42Å; V575-M591 HydrophobicContact CG2-CG 3.97Å; M591-T593 VanDerWaalsContact C-N 3.26Å; M591-T593 WeakPolarHBondContact CB-O 3.34Å; M591-T593 PolarHBondContact O-N 2.63Å; M591-R595 HydrophobicContact CE-CB 3.86Å; M591-R595 HydrophobicContact CE-CG 4.34Å; M591-R595 HydrophobicContact SD-CB 4.48Å; M591-I600 HydrophobicContact SD-CD1 4.41Å; M591-A609 HydrophobicContact SD-CB 3.62Å; M591-W632 HydrophobicContact CB-CD2 4.36Å; M591-W632 HydrophobicContact CB-CG 4.42Å; M591-W632 HydrophobicContact CG-CD2 3.66Å; M591-W632 HydrophobicContact CG-CE3 3.98Å; M591-W632 HydrophobicContact CG-CG 4.17Å; M591-W632 HydrophobicContact CG-CH2 4.05Å; M591-W632 HydrophobicContact CG-CZ2 3.75Å; M591-W632 HydrophobicContact CG-CZ3 4.17Å; M591-W632 HydrophobicContact SD-CH2 4.27Å; M591-W632 HydrophobicContact SD-CZ2 4.37Å
592	T	92.5	Very high	95.4	Very high	73 Å²	73	45 Å²	45	45%	0.448	24%	0.241	S	C	.	.	S	Bend	trans	-70.6	-24.4	177.2	61.2	0	0	0	0	112.4	E623 W632	T592-E623 WeakPolarHBondContact CB-OE2 3.36Å; T592-E623 PolarHBondContact N-OE2 3.43Å; T592-E623 VanDerWaalsContact OG1-CD 3.25Å; T592-E623 PolarHBondContact OG1-OE1 3.43Å; T592-E623 PolarHBondContact OG1-OE2 2.94Å; T592-W632 HydrophobicContact CG2-CB 4.1Å; T592-W632 WeakPolarHBondContact CG2-O 3.46Å
593	T	88.8	Confident	95.4	Very high	37 Å²	37	39 Å²	39	23%	0.227	22%	0.215	C	C	.	.	S	Bend	trans	-125.4	138.9	174	-51	0	0	0	0	110.5	M591 D614 L619 E623	M591-T593 VanDerWaalsContact C-N 3.26Å; M591-T593 WeakPolarHBondContact CB-O 3.34Å; M591-T593 PolarHBondContact O-N 2.63Å; T593-D614 HydrophobicContact CG2-CB 4.31Å; T593-L619 HydrophobicContact CG2-CD1 3.77Å; T593-L619 HydrophobicContact CG2-CD2 4.29Å; T593-E623 PolarHBondContact N-OE1 3.3Å
594	P	92.4	Very high	95	Very high	46 Å²	46	39.7 Å²	39.7	30%	0.299	23%	0.231	S	C	.	.			trans	-63.1	136.4	168.3	-18.7	32	0	0	0	111.2	A571 D614	A571-P594 HydrophobicContact CB-CB 4.22Å; A571-P594 WeakPolarHBondContact O-CB 3.33Å; P594-D614 WeakPolarHBondContact O-CA 3.28Å; P594-D614 VanDerWaalsContact O-CB 3.28Å; P594-D614 WeakPolarHBondContact O-CB 3.46Å
595	R	98.1	Very high	94.6	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.011	23%	0.23	C	C	.	.			trans	-141.5	100.7	-172	-71.2	-177.1	-167.3	-87.2	-3.5	111.1	G564 G565 V572 M591 A598 G611 L619 T621 E623	G564-R595 CarbonylContact C-O 3.59Å; G564-R595 VanDerWaalsContact CA-O 3.28Å; G564-R595 WeakPolarHBondContact CA-O 3.35Å; G565-R595 PolarHBondContact N-O 2.89Å; V572-R595 PolarHBondContact O-N 3.22Å; M591-R595 HydrophobicContact CE-CB 3.86Å; M591-R595 HydrophobicContact CE-CG 4.34Å; M591-R595 HydrophobicContact SD-CB 4.48Å; R595-A598 HydrophobicContact CB-CB 3.73Å; R595-A598 HydrophobicContact CG-CB 4.36Å; R595-G611 PolarHBondContact NH1-O 3.23Å; R595-L619 HydrophobicContact CG-CD1 3.81Å; R595-T621 PolarHBondContact NH1-O 2.91Å; R595-T621 PolarHBondContact NH1-OG1 2.96Å; R595-T621 VanDerWaalsContact NH1-OG1 3.14Å; R595-T621 PolarHBondContact NH2-OG1 2.96Å; R595-E623 IonicContact CZ-OE1 3.63Å; R595-E623 VanDerWaalsContact CZ-OE1 3.24Å; R595-E623 IonicContact NE-OE1 2.71Å; R595-E623 PolarHBondContact NE-OE1 3.21Å; R595-E623 IonicContact NH2-OE1 2.71Å; R595-E623 PolarHBondContact NH2-OE1 3.38Å
596	S	96.8	Very high	94.4	Very high	5 Å²	5	39.7 Å²	39.7	4%	0.035	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-93.2	142.2	166.8	70.5	0	0	0	0	110.8	G565 A598 G612 F613	G565-S596 WeakPolarHBondContact O-CB 3.35Å; S596-A598 PolarHBondContact O-N 3.3Å; S596-A598 VanDerWaalsContact O-N 3.08Å; S596-G612 CarbonylContact O-C 3.49Å; S596-G612 WeakPolarHBondContact O-CA 3.46Å; S596-F613 WeakPolarHBondContact CB-O 3.32Å; S596-F613 PolarHBondContact N-O 2.71Å; S596-F613 PolarHBondContact O-N 3.47Å; S596-F613 PolarHBondContact OG-O 3.17Å
597	N	97.6	Very high	94.5	Very high	28 Å²	28	33.5 Å²	33.5	15%	0.15	21%	0.212	C	C	.	.	S	Bend	trans	54.6	29.4	179.9	-62.4	103.2	0	0	0	114	S358 G359 Q503 G550	S358-N597 VanDerWaalsContact OG-CB 3.3Å; S358-N597 WeakPolarHBondContact OG-CB 3.17Å; G359-N597 PolarHBondContact N-O 3.43Å; Q503-N597 PolarHBondContact NE2-ND2 2.86Å; G550-N597 WeakPolarHBondContact CA-ND2 3.44Å; G550-N597 VanDerWaalsContact O-CA 3.29Å; G550-N597 WeakPolarHBondContact O-CA 3.35Å; G550-N597 PolarHBondContact O-N 3.29Å
598	A	97.9	Very high	94.7	Very high	13 Å²	13	30.3 Å²	30.3	11%	0.107	20%	0.195	C	C	.	.			trans	-82.4	165.9	173.3	0	0	0	0	0	112.2	R595 S596 G611	R595-A598 HydrophobicContact CB-CB 3.73Å; R595-A598 HydrophobicContact CG-CB 4.36Å; S596-A598 PolarHBondContact O-N 3.3Å; S596-A598 VanDerWaalsContact O-N 3.08Å; A598-G611 WeakPolarHBondContact CB-O 3.4Å
599	G	97.9	Very high	94.9	Very high	2 Å²	2	28.9 Å²	28.9	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.6	167.9	0	0	0	0	0	110.5	T362 A609 V610	T362-G599 VanDerWaalsContact OG1-CA 3.3Å; T362-G599 WeakPolarHBondContact OG1-CA 3.42Å; G599-A609 CarbonylContact O-C 3.58Å; G599-A609 WeakPolarHBondContact O-CA 3.41Å; G599-V610 PolarHBondContact N-O 2.82Å; G599-V610 PolarHBondContact O-N 3.19Å
600	I	98.1	Very high	95.3	Very high	10 Å²	10	27.8 Å²	27.8	5%	0.051	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125.8	170.1	-59.8	-175	0	0	0	107.3	A554 G563 M591 I607 Y608 A609	A554-I600 HydrophobicContact CB-CG2 3.87Å; G563-I600 VanDerWaalsContact C-CD1 3.48Å; G563-I600 VanDerWaalsContact CA-CD1 3.42Å; G563-I600 WeakPolarHBondContact O-CD1 3.37Å; M591-I600 HydrophobicContact SD-CD1 4.41Å; I600-I607 HydrophobicContact CG2-CG2 3.8Å; I600-Y608 VanDerWaalsContact CA-O 3.28Å; I600-Y608 WeakPolarHBondContact CA-O 3.19Å; I600-A609 HydrophobicContact CG1-CB 4.21Å
601	T	97.6	Very high	95.6	Very high	15 Å²	15	24.8 Å²	24.8	9%	0.092	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	136.1	-171.6	-65.8	0	0	0	0	110.3	T362 E364 L369 V603 Y608	T362-T601 WeakPolarHBondContact CB-OG1 3.44Å; T362-T601 PolarHBondContact OG1-OG1 3.1Å; E364-T601 HydrophobicContact CB-CG2 4.15Å; L369-T601 HydrophobicContact CD1-CG2 3.95Å; T601-V603 HydrophobicContact CG2-CG2 4.13Å; T601-Y608 PolarHBondContact N-O 3.31Å; T601-Y608 PolarHBondContact O-N 3.33Å
602	A	96.9	Very high	95.7	Very high	22 Å²	22	24.5 Å²	24.5	18%	0.182	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	122.2	169.5	0	0	0	0	0	109	E364 A554 V555 T606	E364-A602 WeakPolarHBondContact CB-O 3.41Å; A554-A602 HydrophobicContact CB-CB 4.23Å; V555-A602 WeakPolarHBondContact O-CB 3.46Å; A602-T606 CarbonylContact C-O 3.51Å; A602-T606 WeakPolarHBondContact CA-O 3.3Å
603	V	95.7	Very high	95.7	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.03	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.8	171.7	179.7	0	0	0	0	108.4	E364 G367 L369 P389 T601 N605 T606 Y608	E364-V603 HydrophobicContact CB-CG2 4.15Å; E364-V603 HydrophobicContact CG-CB 4.26Å; E364-V603 HydrophobicContact CG-CG1 4.09Å; E364-V603 HydrophobicContact CG-CG2 4.1Å; G367-V603 VanDerWaalsContact C-CG1 3.47Å; G367-V603 VanDerWaalsContact O-CG1 3.23Å; G367-V603 WeakPolarHBondContact O-CG1 3.37Å; L369-V603 HydrophobicContact CB-CG2 3.79Å; L369-V603 HydrophobicContact CD1-CG2 4.25Å; P389-V603 HydrophobicContact CG-CG1 4.22Å; T601-V603 HydrophobicContact CG2-CG2 4.13Å; V603-N605 PolarHBondContact O-N 3.29Å; V603-N605 VanDerWaalsContact O-N 3.08Å; V603-T606 PolarHBondContact N-O 3.17Å; V603-T606 PolarHBondContact O-N 3.42Å; V603-T606 VanDerWaalsContact O-N 3.1Å; V603-Y608 HydrophobicContact CB-CD2 3.96Å; V603-Y608 HydrophobicContact CB-CE2 3.88Å; V603-Y608 HydrophobicContact CG2-CD2 4.12Å; V603-Y608 HydrophobicContact CG2-CE2 4.48Å
604	A	88.3	Confident	95.7	Very high	87 Å²	87	24 Å²	24	72%	0.719	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	-112.7	-167.1	0	0	0	0	0	111
605	N	87.9	Confident	94.8	Very high	102 Å²	102	23.7 Å²	23.7	55%	0.545	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	19.8	-176.8	-148.9	62.3	0	0	0	114	H556 V603	H556-N605 VanDerWaalsContact CE1-C 3.44Å; H556-N605 PolarHBondContact CE1-O 3.48Å; H556-N605 PolarHBondContact CE1-OD1 3.15Å; H556-N605 VanDerWaalsContact CE1-OD1 3.29Å; V603-N605 PolarHBondContact O-N 3.29Å; V603-N605 VanDerWaalsContact O-N 3.08Å
606	T	93.9	Very high	93.7	Very high	46 Å²	46	28.9 Å²	28.9	28%	0.282	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	136.9	-169.4	-45.9	0	0	0	0	111.4	A602 V603 Y608 V624	A602-T606 CarbonylContact C-O 3.51Å; A602-T606 WeakPolarHBondContact CA-O 3.3Å; V603-T606 PolarHBondContact N-O 3.17Å; V603-T606 PolarHBondContact O-N 3.42Å; V603-T606 VanDerWaalsContact O-N 3.1Å; T606-Y608 HydrophobicContact CG2-CE2 4.07Å; T606-Y608 WeakPolarHBondContact O-CD2 3.5Å; T606-V624 HydrophobicContact CG2-CG2 3.07Å
607	I	98	Very high	93.1	Very high	2 Å²	2	33 Å²	33	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130.5	179.1	-54.9	173.4	0	0	0	109.4	A554 H556 F561 I600 V624 Y625 W632	A554-I607 HydrophobicContact CB-CD1 4.41Å; A554-I607 HydrophobicContact CB-CG1 4.26Å; A554-I607 HydrophobicContact CB-CG2 3.79Å; H556-I607 HydrophobicContact CB-CD1 3.89Å; H556-I607 HydrophobicContact CB-CG1 4.11Å; F561-I607 HydrophobicContact CB-CD1 3.74Å; F561-I607 HydrophobicContact CD1-CD1 3.93Å; F561-I607 HydrophobicContact CD2-CD1 3.6Å; F561-I607 HydrophobicContact CE1-CD1 4.42Å; F561-I607 HydrophobicContact CE2-CD1 4.14Å; F561-I607 HydrophobicContact CG-CD1 3.48Å; F561-I607 VanDerWaalsContact CG-CD1 3.48Å; I600-I607 HydrophobicContact CG2-CG2 3.8Å; I607-V624 WeakPolarHBondContact O-CA 3.47Å; I607-Y625 HydrophobicContact CD1-CD1 4.1Å; I607-Y625 PolarHBondContact O-N 2.9Å; I607-W632 HydrophobicContact CG2-CH2 4.09Å
608	Y	98.4	Very high	92.8	Very high	18 Å²	18	33.5 Å²	33.5	7%	0.071	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.9	176.5	-68.7	-95.3	0	0	0	110.2	M350 L369 Y387 P389 I600 T601 V603 T606 V622 E623 V624	M350-Y608 HydrophobicContact CE-CD1 4.33Å; M350-Y608 HydrophobicContact CE-CE1 3.62Å; L369-Y608 HydrophobicContact CD2-CG 4.31Å; Y387-Y608 AromaticContact CE1-CE1 3.98Å; Y387-Y608 HydrophobicContact CE1-CE1 3.98Å; P389-Y608 WeakPolarHBondContact CB-OH 3.47Å; I600-Y608 VanDerWaalsContact CA-O 3.28Å; I600-Y608 WeakPolarHBondContact CA-O 3.19Å; T601-Y608 PolarHBondContact N-O 3.31Å; T601-Y608 PolarHBondContact O-N 3.33Å; V603-Y608 HydrophobicContact CB-CD2 3.96Å; V603-Y608 HydrophobicContact CB-CE2 3.88Å; V603-Y608 HydrophobicContact CG2-CD2 4.12Å; V603-Y608 HydrophobicContact CG2-CE2 4.48Å; T606-Y608 HydrophobicContact CG2-CE2 4.07Å; T606-Y608 WeakPolarHBondContact O-CD2 3.5Å; Y608-V622 HydrophobicContact CD1-CG2 3.91Å; Y608-E623 WeakPolarHBondContact CA-O 3.31Å; Y608-V624 HydrophobicContact CD1-CB 4.26Å; Y608-V624 HydrophobicContact CD1-CG2 4.1Å; Y608-V624 HydrophobicContact CE1-CB 4.11Å; Y608-V624 HydrophobicContact CE1-CG2 3.75Å; Y608-V624 HydrophobicContact CE2-CG2 4.31Å
609	A	98.6	Very high	92.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.6	164.9	0	0	0	0	0	108.7	M591 G599 I600 V622 E623 W632	M591-A609 HydrophobicContact SD-CB 3.62Å; G599-A609 CarbonylContact O-C 3.58Å; G599-A609 WeakPolarHBondContact O-CA 3.41Å; I600-A609 HydrophobicContact CG1-CB 4.21Å; A609-V622 WeakPolarHBondContact O-CA 3.16Å; A609-E623 HydrophobicContact CB-CG 4.02Å; A609-E623 PolarHBondContact N-O 3.4Å; A609-E623 PolarHBondContact O-N 3.22Å; A609-W632 HydrophobicContact CB-CE3 4.5Å; A609-W632 HydrophobicContact CB-CH2 3.85Å; A609-W632 HydrophobicContact CB-CZ3 3.55Å
610	V	98.6	Very high	92.6	Very high	1 Å²	1	36 Å²	36	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136.5	-174	64	0	0	0	0	111.7	M353 T362 L369 W394 G599 V622	M353-V610 HydrophobicContact CE-CG2 3.5Å; M353-V610 HydrophobicContact CG-CG2 4.1Å; M353-V610 HydrophobicContact SD-CG2 3.52Å; M353-V610 VanDerWaalsContact SD-CG2 3.52Å; T362-V610 HydrophobicContact CG2-CG1 3.72Å; L369-V610 HydrophobicContact CD2-CB 4.19Å; L369-V610 HydrophobicContact CD2-CG1 3.99Å; W394-V610 HydrophobicContact CH2-CG2 3.85Å; W394-V610 HydrophobicContact CZ2-CG2 3.92Å; G599-V610 PolarHBondContact N-O 2.82Å; G599-V610 PolarHBondContact O-N 3.19Å; V610-V622 HydrophobicContact CB-CB 4.37Å; V610-V622 HydrophobicContact CB-CG2 4.17Å; V610-V622 HydrophobicContact CG2-CB 4.18Å; V610-V622 HydrophobicContact CG2-CG2 4.43Å
611	G	98.4	Very high	92.6	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.223	C	C	.	.			trans	63.1	-147.8	179.5	0	0	0	0	0	113.4	R357 R595 A598 L619 T621	R357-G611 WeakPolarHBondContact O-CA 3.42Å; R595-G611 PolarHBondContact NH1-O 3.23Å; A598-G611 WeakPolarHBondContact CB-O 3.4Å; G611-L619 VanDerWaalsContact CA-O 3.26Å; G611-L619 WeakPolarHBondContact CA-O 3.45Å; G611-T621 PolarHBondContact N-O 3.17Å
612	G	97.6	Very high	92.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.22	C	C	.	.			trans	99.7	-168.7	-174.9	0	0	0	0	0	113.7	R357 S596 L619	R357-G612 PolarHBondContact O-N 3.34Å; S596-G612 CarbonylContact O-C 3.49Å; S596-G612 WeakPolarHBondContact O-CA 3.46Å; G612-L619 PolarHBondContact O-N 2.8Å
613	F	92.5	Very high	92.7	Very high	57 Å²	57	36.4 Å²	36.4	25%	0.25	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-129.7	126.9	175.4	179.5	-105.1	0	0	0	109	A571 S596 G615 N616 E617 F618	A571-F613 WeakPolarHBondContact CB-O 3.36Å; S596-F613 WeakPolarHBondContact CB-O 3.32Å; S596-F613 PolarHBondContact N-O 2.71Å; S596-F613 PolarHBondContact O-N 3.47Å; S596-F613 PolarHBondContact OG-O 3.17Å; F613-G615 WeakPolarHBondContact CE1-O 3.12Å; F613-G615 WeakPolarHBondContact CZ-O 3.5Å; F613-N616 VanDerWaalsContact CE2-O 3.24Å; F613-N616 WeakPolarHBondContact CE2-O 3.4Å; F613-E617 WeakPolarHBondContact CA-O 3.37Å; F613-E617 VanDerWaalsContact CD2-C 3.49Å; F613-E617 WeakPolarHBondContact CD2-O 3.48Å; F613-F618 HydrophobicContact CD2-CD1 4.35Å; F613-F618 HydrophobicContact CD2-CD2 4.08Å; F613-F618 HydrophobicContact CD2-CE1 4.38Å; F613-F618 HydrophobicContact CD2-CE2 4.13Å; F613-F618 HydrophobicContact CD2-CG 4.21Å; F613-F618 HydrophobicContact CD2-CZ 4.28Å; F613-F618 HydrophobicContact CE2-CD2 4.36Å; F613-F618 HydrophobicContact CE2-CE2 4.23Å
614	D	89.3	Confident	92.7	Very high	43 Å²	43	37.2 Å²	37.2	23%	0.23	22%	0.216	C	C	.	.			trans	-90.7	-0	-173.3	73.4	-11.5	0	0	0	114.2	A571 T593 P594 N616 E617 L619	A571-D614 VanDerWaalsContact CB-C 3.48Å; A571-D614 WeakPolarHBondContact CB-O 3.31Å; T593-D614 HydrophobicContact CG2-CB 4.31Å; P594-D614 WeakPolarHBondContact O-CA 3.28Å; P594-D614 VanDerWaalsContact O-CB 3.28Å; P594-D614 WeakPolarHBondContact O-CB 3.46Å; D614-N616 WeakPolarHBondContact OD1-CA 3.2Å; D614-N616 PolarHBondContact OD1-N 3.49Å; D614-E617 PolarHBondContact N-O 2.98Å; D614-E617 PolarHBondContact OD1-N 3.06Å; D614-L619 HydrophobicContact CB-CD1 4.21Å; D614-L619 HydrophobicContact CB-CD2 4.3Å; D614-L619 HydrophobicContact CB-CG 4.46Å
615	G	72.9	Confident	93.1	Very high	38 Å²	38	33.3 Å²	33.3	39%	0.392	18%	0.183	S	C	.	.	S	Bend	trans	113	-24.2	-171.4	0	0	0	0	0	112.4	F613	F613-G615 WeakPolarHBondContact CE1-O 3.12Å; F613-G615 WeakPolarHBondContact CZ-O 3.5Å
616	N	75.9	Confident	93.2	Very high	113 Å²	113	32 Å²	32	60%	0.604	18%	0.176	S	C	*	.	S	Bend	trans	-125.6	-53.7	-177.8	-57.4	-28.4	0	0	0	111.4	R377 F613 D614	R377-N616 PolarHBondContact NH2-O 3.32Å; F613-N616 VanDerWaalsContact CE2-O 3.24Å; F613-N616 WeakPolarHBondContact CE2-O 3.4Å; D614-N616 WeakPolarHBondContact OD1-CA 3.2Å; D614-N616 PolarHBondContact OD1-N 3.49Å
617	E	84.2	Confident	92.7	Very high	92 Å²	92	32.4 Å²	32.4	43%	0.43	18%	0.176	S	C	.	.	S	Bend	trans	-116.3	151.2	-172.3	-67.9	-173.5	169.9	0	0	112.8	F613 D614	F613-E617 WeakPolarHBondContact CA-O 3.37Å; F613-E617 VanDerWaalsContact CD2-C 3.49Å; F613-E617 WeakPolarHBondContact CD2-O 3.48Å; D614-E617 PolarHBondContact N-O 2.98Å; D614-E617 PolarHBondContact OD1-N 3.06Å
618	F	90.8	Very high	92.1	Very high	37 Å²	37	41.5 Å²	41.5	16%	0.162	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-80.6	126.8	165.6	-68	-96.3	0	0	0	108.5	A356 S358 Y375 N376 R377 F613	A356-F618 HydrophobicContact CB-CB 3.78Å; A356-F618 VanDerWaalsContact CB-O 3.23Å; A356-F618 WeakPolarHBondContact CB-O 3.46Å; S358-F618 VanDerWaalsContact CB-CD1 3.43Å; Y375-F618 AromaticContact CD2-CE1 3.67Å; Y375-F618 HydrophobicContact CD2-CE1 3.67Å; Y375-F618 AromaticContact CD2-CZ 3.93Å; Y375-F618 HydrophobicContact CD2-CZ 3.93Å; Y375-F618 AromaticContact CE2-CE1 3.36Å; Y375-F618 HydrophobicContact CE2-CE1 3.36Å; Y375-F618 AromaticContact CE2-CZ 3.54Å; Y375-F618 HydrophobicContact CE2-CZ 3.54Å; Y375-F618 HydrophobicContact CG-CE1 4.43Å; Y375-F618 AromaticContact CZ-CE1 3.89Å; Y375-F618 WeakPolarHBondContact O-CD1 3.4Å; N376-F618 HydrophobicContact CB-CB 4.25Å; N376-F618 HydrophobicContact CB-CD1 4.47Å; N376-F618 HydrophobicContact CB-CG 4.22Å; R377-F618 HydrophobicContact CG-CD2 3.61Å; R377-F618 HydrophobicContact CG-CE2 3.6Å; F613-F618 HydrophobicContact CD2-CD1 4.35Å; F613-F618 HydrophobicContact CD2-CD2 4.08Å; F613-F618 HydrophobicContact CD2-CE1 4.38Å; F613-F618 HydrophobicContact CD2-CE2 4.13Å; F613-F618 HydrophobicContact CD2-CG 4.21Å; F613-F618 HydrophobicContact CD2-CZ 4.28Å; F613-F618 HydrophobicContact CE2-CD2 4.36Å; F613-F618 HydrophobicContact CE2-CE2 4.23Å
619	L	94	Very high	91.6	Very high	13 Å²	13	43.3 Å²	43.3	7%	0.068	23%	0.234	C	C	.	.			trans	-90	142.7	-173.8	-55.3	174	0	0	0	110.7	A356 R357 T593 R595 G611 G612 D614	A356-L619 WeakPolarHBondContact CA-O 3.46Å; R357-L619 PolarHBondContact N-O 3.1Å; T593-L619 HydrophobicContact CG2-CD1 3.77Å; T593-L619 HydrophobicContact CG2-CD2 4.29Å; R595-L619 HydrophobicContact CG-CD1 3.81Å; G611-L619 VanDerWaalsContact CA-O 3.26Å; G611-L619 WeakPolarHBondContact CA-O 3.45Å; G612-L619 PolarHBondContact O-N 2.8Å; D614-L619 HydrophobicContact CB-CD1 4.21Å; D614-L619 HydrophobicContact CB-CD2 4.3Å; D614-L619 HydrophobicContact CB-CG 4.46Å
620	N	97.7	Very high	91.2	Very high	55 Å²	55	46.2 Å²	46.2	29%	0.294	25%	0.249	S	C	.	.			trans	-110.5	-1	163.7	66.6	-6.1	0	0	0	112.3	P352 M353 A356	P352-N620 WeakPolarHBondContact CA-O 3.46Å; P352-N620 HydrophobicContact CB-CB 4.49Å; P352-N620 WeakPolarHBondContact CB-O 3.34Å; M353-N620 HydrophobicContact CB-CB 4.19Å; M353-N620 PolarHBondContact N-O 2.99Å; M353-N620 WeakPolarHBondContact O-CB 3.09Å; M353-N620 PolarHBondContact O-ND2 3.44Å; A356-N620 HydrophobicContact CB-CB 4.26Å
621	T	98.1	Very high	90.9	Very high	51 Å²	51	52 Å²	52	31%	0.313	28%	0.276	S	S	.	.			trans	-74	154.8	-176.3	62.3	0	0	0	0	111.9	R595 G611	R595-T621 PolarHBondContact NH1-O 2.91Å; R595-T621 PolarHBondContact NH1-OG1 2.96Å; R595-T621 VanDerWaalsContact NH1-OG1 3.14Å; R595-T621 PolarHBondContact NH2-OG1 2.96Å; G611-T621 PolarHBondContact N-O 3.17Å
622	V	97.9	Very high	90.7	Very high	4 Å²	4	53 Å²	53	2%	0.024	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.5	172.2	61.9	0	0	0	0	109.1	M350 S351 L369 W394 Y608 A609 V610	M350-V622 HydrophobicContact CB-CG1 3.65Å; M350-V622 HydrophobicContact SD-CG1 4.37Å; S351-V622 WeakPolarHBondContact O-CG1 3.11Å; L369-V622 HydrophobicContact CD2-CG2 4.46Å; W394-V622 HydrophobicContact CZ2-CB 4.41Å; Y608-V622 HydrophobicContact CD1-CG2 3.91Å; A609-V622 WeakPolarHBondContact O-CA 3.16Å; V610-V622 HydrophobicContact CB-CB 4.37Å; V610-V622 HydrophobicContact CB-CG2 4.17Å; V610-V622 HydrophobicContact CG2-CB 4.18Å; V610-V622 HydrophobicContact CG2-CG2 4.43Å
623	E	97.5	Very high	90.5	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	156.8	172.8	61.6	-177	119.5	0	0	110.5	T592 T593 R595 Y608 A609 W632 S633 P634	T592-E623 WeakPolarHBondContact CB-OE2 3.36Å; T592-E623 PolarHBondContact N-OE2 3.43Å; T592-E623 VanDerWaalsContact OG1-CD 3.25Å; T592-E623 PolarHBondContact OG1-OE1 3.43Å; T592-E623 PolarHBondContact OG1-OE2 2.94Å; T593-E623 PolarHBondContact N-OE1 3.3Å; R595-E623 IonicContact CZ-OE1 3.63Å; R595-E623 VanDerWaalsContact CZ-OE1 3.24Å; R595-E623 IonicContact NE-OE1 2.71Å; R595-E623 PolarHBondContact NE-OE1 3.21Å; R595-E623 IonicContact NH2-OE1 2.71Å; R595-E623 PolarHBondContact NH2-OE1 3.38Å; Y608-E623 WeakPolarHBondContact CA-O 3.31Å; A609-E623 HydrophobicContact CB-CG 4.02Å; A609-E623 PolarHBondContact N-O 3.4Å; A609-E623 PolarHBondContact O-N 3.22Å; E623-W632 HydrophobicContact CB-CE3 4.43Å; E623-W632 HydrophobicContact CG-CE3 3.75Å; E623-W632 HydrophobicContact CG-CZ3 4.11Å; E623-S633 WeakPolarHBondContact CA-O 3.39Å; E623-P634 HydrophobicContact CB-CB 4.46Å
624	V	96.8	Very high	90.5	Very high	23 Å²	23	54.5 Å²	54.5	14%	0.139	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.4	-169.8	73.8	0	0	0	0	110.8	M350 T606 I607 Y608 W632 S633	M350-V624 HydrophobicContact CE-CB 4.41Å; M350-V624 HydrophobicContact SD-CB 4.05Å; M350-V624 HydrophobicContact SD-CG1 4.03Å; T606-V624 HydrophobicContact CG2-CG2 3.07Å; I607-V624 WeakPolarHBondContact O-CA 3.47Å; Y608-V624 HydrophobicContact CD1-CB 4.26Å; Y608-V624 HydrophobicContact CD1-CG2 4.1Å; Y608-V624 HydrophobicContact CE1-CB 4.11Å; Y608-V624 HydrophobicContact CE1-CG2 3.75Å; Y608-V624 HydrophobicContact CE2-CG2 4.31Å; V624-W632 WeakPolarHBondContact O-CA 3.31Å; V624-S633 WeakPolarHBondContact CG1-O 3.25Å; V624-S633 PolarHBondContact N-O 3.37Å; V624-S633 PolarHBondContact O-N 3.02Å
625	Y	95.9	Very high	90.5	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.016	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	127.4	177.6	-177.7	-118.6	0	0	0	111.1	F561 M588 I607 L627 N630 E631 W632	F561-Y625 HydrophobicContact CD1-CE1 4.19Å; F561-Y625 AromaticContact CE1-CE1 3.73Å; F561-Y625 HydrophobicContact CE1-CE1 3.73Å; F561-Y625 HydrophobicContact CZ-CE1 4.48Å; M588-Y625 VanDerWaalsContact CE-OH 3.23Å; M588-Y625 WeakPolarHBondContact CE-OH 3.5Å; I607-Y625 HydrophobicContact CD1-CD1 4.1Å; I607-Y625 PolarHBondContact O-N 2.9Å; Y625-L627 HydrophobicContact CD1-CD2 4.15Å; Y625-L627 HydrophobicContact CD1-CG 3.99Å; Y625-L627 HydrophobicContact CE1-CD2 3.67Å; Y625-L627 HydrophobicContact CE1-CG 3.86Å; Y625-N630 PolarHBondContact OH-OD1 3.39Å; Y625-E631 WeakPolarHBondContact CD2-O 3.48Å; Y625-W632 AromaticContact CD2-CD1 3.61Å; Y625-W632 AromaticContact CD2-CD2 3.99Å; Y625-W632 HydrophobicContact CD2-CD2 3.99Å; Y625-W632 AromaticContact CD2-CE2 3.64Å; Y625-W632 AromaticContact CD2-CG 4Å; Y625-W632 HydrophobicContact CD2-CG 4Å; Y625-W632 HydrophobicContact CD2-CZ2 4.26Å; Y625-W632 AromaticContact CD2-NE1 3.37Å; Y625-W632 AromaticContact CE2-NE1 3.9Å; Y625-W632 HydrophobicContact CG-CD2 4.36Å; Y625-W632 AromaticContact CG-CE2 3.97Å; Y625-W632 HydrophobicContact CG-CZ2 4.18Å
626	N	89.1	Confident	91.2	Very high	75 Å²	75	57.3 Å²	57.3	40%	0.401	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.9	170.5	-174.5	-30.7	0	0	0	109.7	E628 S629 N630 E631	N626-E628 WeakPolarHBondContact OD1-CB 3.32Å; N626-E628 PolarHBondContact OD1-N 2.97Å; N626-S629 WeakPolarHBondContact CB-OG 3.21Å; N626-S629 VanDerWaalsContact CG-OG 3.28Å; N626-S629 PolarHBondContact OD1-N 3.24Å; N626-N630 WeakPolarHBondContact O-CA 3.35Å; N626-N630 PolarHBondContact O-N 3.48Å; N626-E631 PolarHBondContact N-O 3.36Å; N626-E631 PolarHBondContact O-N 3.32Å
627	L	85	Confident	91.4	Very high	55 Å²	55	58 Å²	58	29%	0.288	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-32.5	-178.8	-73.3	142.5	0	0	0	113.6	H556 F561 Y625	H556-L627 WeakPolarHBondContact CD2-CD1 3.45Å; H556-L627 WeakPolarHBondContact NE2-CD1 3.45Å; F561-L627 HydrophobicContact CE1-CD2 4.22Å; F561-L627 HydrophobicContact CE2-CD2 4.37Å; F561-L627 HydrophobicContact CZ-CD2 3.69Å; Y625-L627 HydrophobicContact CD1-CD2 4.15Å; Y625-L627 HydrophobicContact CD1-CG 3.99Å; Y625-L627 HydrophobicContact CE1-CD2 3.67Å; Y625-L627 HydrophobicContact CE1-CG 3.86Å
628	E	85.6	Confident	90.4	Very high	192 Å²	192	55.9 Å²	55.9	90%	0.897	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-45	-177.3	-63.9	-177.6	173.8	0	0	111.1	N626	N626-E628 WeakPolarHBondContact OD1-CB 3.32Å; N626-E628 PolarHBondContact OD1-N 2.97Å
629	S	87.2	Confident	88.7	Confident	56 Å²	56	62.4 Å²	62.4	39%	0.392	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-15.2	176.3	63.2	0	0	0	0	113.1	N626	N626-S629 WeakPolarHBondContact CB-OG 3.21Å; N626-S629 VanDerWaalsContact CG-OG 3.28Å; N626-S629 PolarHBondContact OD1-N 3.24Å
630	N	90.3	Very high	86.3	Confident	61 Å²	61	69.2 Å²	69.2	33%	0.326	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	58.1	-168.7	174.4	47.6	0	0	0	110.2	A589 Y625 N626	A589-N630 WeakPolarHBondContact CB-O 3.4Å; A589-N630 PolarHBondContact N-OD1 2.71Å; Y625-N630 PolarHBondContact OH-OD1 3.39Å; N626-N630 WeakPolarHBondContact O-CA 3.35Å; N626-N630 PolarHBondContact O-N 3.48Å
631	E	91.3	Very high	83.7	Confident	123 Å²	123	79.5 Å²	79.5	58%	0.575	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.8	149.6	-179.7	-68.4	176	161.5	0	0	110.8	Y625 N626	Y625-E631 WeakPolarHBondContact CD2-O 3.48Å; N626-E631 PolarHBondContact N-O 3.36Å; N626-E631 PolarHBondContact O-N 3.32Å
632	W	94.7	Very high	83	Confident	22 Å²	22	80.9 Å²	80.9	8%	0.083	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	142.8	169.6	-71.9	85.3	0	0	0	110.2	V575 A589 S590 M591 T592 I607 A609 E623 V624 Y625	V575-W632 HydrophobicContact CG2-CZ2 3.89Å; A589-W632 VanDerWaalsContact O-CD1 3.26Å; A589-W632 PolarHBondContact O-NE1 3.22Å; S590-W632 VanDerWaalsContact C-CD1 3.4Å; M591-W632 HydrophobicContact CB-CD2 4.36Å; M591-W632 HydrophobicContact CB-CG 4.42Å; M591-W632 HydrophobicContact CG-CD2 3.66Å; M591-W632 HydrophobicContact CG-CE3 3.98Å; M591-W632 HydrophobicContact CG-CG 4.17Å; M591-W632 HydrophobicContact CG-CH2 4.05Å; M591-W632 HydrophobicContact CG-CZ2 3.75Å; M591-W632 HydrophobicContact CG-CZ3 4.17Å; M591-W632 HydrophobicContact SD-CH2 4.27Å; M591-W632 HydrophobicContact SD-CZ2 4.37Å; T592-W632 HydrophobicContact CG2-CB 4.1Å; T592-W632 WeakPolarHBondContact CG2-O 3.46Å; I607-W632 HydrophobicContact CG2-CH2 4.09Å; A609-W632 HydrophobicContact CB-CE3 4.5Å; A609-W632 HydrophobicContact CB-CH2 3.85Å; A609-W632 HydrophobicContact CB-CZ3 3.55Å; E623-W632 HydrophobicContact CB-CE3 4.43Å; E623-W632 HydrophobicContact CG-CE3 3.75Å; E623-W632 HydrophobicContact CG-CZ3 4.11Å; V624-W632 WeakPolarHBondContact O-CA 3.31Å; Y625-W632 AromaticContact CD2-CD1 3.61Å; Y625-W632 AromaticContact CD2-CD2 3.99Å; Y625-W632 HydrophobicContact CD2-CD2 3.99Å; Y625-W632 AromaticContact CD2-CE2 3.64Å; Y625-W632 AromaticContact CD2-CG 4Å; Y625-W632 HydrophobicContact CD2-CG 4Å; Y625-W632 HydrophobicContact CD2-CZ2 4.26Å; Y625-W632 AromaticContact CD2-NE1 3.37Å; Y625-W632 AromaticContact CE2-NE1 3.9Å; Y625-W632 HydrophobicContact CG-CD2 4.36Å; Y625-W632 AromaticContact CG-CE2 3.97Å; Y625-W632 HydrophobicContact CG-CZ2 4.18Å
633	S	93.3	Very high	82.2	Confident	41 Å²	41	84.9 Å²	84.9	29%	0.287	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	134.3	177.4	-177.5	0	0	0	0	111.2	E623 V624 Y635	E623-S633 WeakPolarHBondContact CA-O 3.39Å; V624-S633 WeakPolarHBondContact CG1-O 3.25Å; V624-S633 PolarHBondContact N-O 3.37Å; V624-S633 PolarHBondContact O-N 3.02Å; S633-Y635 PolarHBondContact O-N 3.2Å; S633-Y635 WeakPolarHBondContact OG-CB 3.48Å; S633-Y635 PolarHBondContact OG-N 3.45Å; S633-Y635 PolarHBondContact OG-O 3.35Å
634	P	92.3	Very high	81.4	Confident	46 Å²	46	89.7 Å²	89.7	30%	0.299	43%	0.428	S	S	.	.	S	Bend	trans	-84.7	9	167.5	35.7	-35.7	0	0	0	112.1	P349 M350 E623	P349-P634 CarbonylContact C-O 3.44Å; P349-P634 WeakPolarHBondContact CA-O 3.04Å; M350-P634 WeakPolarHBondContact CG-O 3.4Å; M350-P634 PolarHBondContact N-O 3.01Å; E623-P634 HydrophobicContact CB-CB 4.46Å
635	Y	90.6	Very high	80.5	Confident	112 Å²	112	93.6 Å²	93.6	44%	0.439	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	143.5	-178.2	-62.3	-96.3	0	0	0	111.8	K348 P349 S633	K348-Y635 CarbonylContact O-C 3.52Å; K348-Y635 VanDerWaalsContact O-CA 3.27Å; K348-Y635 WeakPolarHBondContact O-CA 3.17Å; P349-Y635 HydrophobicContact CG-CD1 4.13Å; P349-Y635 HydrophobicContact CG-CE1 3.76Å; S633-Y635 PolarHBondContact O-N 3.2Å; S633-Y635 WeakPolarHBondContact OG-CB 3.48Å; S633-Y635 PolarHBondContact OG-N 3.45Å; S633-Y635 PolarHBondContact OG-O 3.35Å
636	T	86.4	Confident	79.5	Confident	28 Å²	28	99.2 Å²	99.2	17%	0.172	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	153.2	169.2	-173.6	0	0	0	0	111.1	E347 K348 M350 D392	E347-T636 WeakPolarHBondContact CA-O 3.16Å; K348-T636 HydrophobicContact CG-CG2 4.06Å; K348-T636 PolarHBondContact N-O 3.17Å; K348-T636 PolarHBondContact O-N 3.33Å; M350-T636 HydrophobicContact CG-CG2 4.16Å; D392-T636 HydrophobicContact CB-CG2 4Å; D392-T636 WeakPolarHBondContact OD2-CG2 3.2Å
637	K	80.5	Confident	78.8	Confident	128 Å²	128	100.8 Å²	100.8	56%	0.557	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.5	179.9	-72.9	178.1	176.2	-179.9	0	109.5	V345 E347	V345-K637 HydrophobicContact CG1-CB 3.69Å; V345-K637 HydrophobicContact CG1-CD 3.77Å; V345-K637 HydrophobicContact CG1-CG 3.53Å; E347-K637 HydrophobicContact CG-CG 4Å; E347-K637 WeakPolarHBondContact OE1-CE 3.24Å
638	T	64	Low	78.4	Confident	48 Å²	48	104.1 Å²	104.1	29%	0.294	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.2	173	49	0	0	0	0	110.8	V346 K348	V346-T638 PolarHBondContact N-O 3.07Å; V346-T638 VanDerWaalsContact N-O 3.08Å; V346-T638 PolarHBondContact O-N 2.76Å; V346-T638 PolarHBondContact O-OG1 2.93Å; K348-T638 HydrophobicContact CD-CG2 4.16Å
639	Y	53.7	Low	77.9	Confident	174 Å²	174	97.3 Å²	97.3	68%	0.682	46%	0.459	S	S	*	.			trans	-82.3	126.3	171.7	-60.6	-80	0	0	0	108.4	V345 F641	V345-Y639 HydrophobicContact CG2-CE1 4.36Å; Y639-F641 PolarHBondContact O-N 3.12Å
640	K	45.1	Very low	77.1	Confident	156 Å²	156	100.8 Å²	100.8	68%	0.678	47%	0.465	S	S	*	.			trans	-74.4	118.6	166.9	-82.8	-179.6	170.1	168.1	0	107.7	V346	V346-K640 HydrophobicContact CG2-CD 4.02Å; V346-K640 HydrophobicContact CG2-CG 4.23Å
641	F	42.9	Very low	75.9	Confident	270 Å²	270	104.4 Å²	104.4	100%	1.184	48%	0.477	S	S	*	.			trans	-83.6	0	163.6	-73.4	-79	0	0	0	110.5	Y639	Y639-F641 PolarHBondContact O-N 3.12Å

Retrieved 641 of 641 residues in 3769.3 ms (Link to these results)

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