A0A087XS58_POEFO Loading...

Beta-1,4 N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A087XS58, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 541 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	35.4	Very low	36.3	Very low	253 Å²	253	151.3 Å²	151.3	100%	1.246	87%	0.866	S	S	*	*				0	119.5	0	-99.2	163.9	162.3	0	0	107.9
2	G	35.5	Very low	36.3	Very low	79 Å²	79	152.3 Å²	152.3	81%	0.814	86%	0.861	S	S	*	*			trans	100.4	67.4	165.9	0	0	0	0	0	117
3	S	32.7	Very low	36.7	Very low	121 Å²	121	153.2 Å²	153.2	85%	0.846	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-72.4	135.6	169.3	-26.6	0	0	0	0	111.1
4	I	37.8	Very low	37.2	Very low	165 Å²	165	151.6 Å²	151.6	85%	0.846	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-80.6	124.8	173.3	-60.1	168.3	0	0	0	108.8
5	P	39.8	Very low	38.1	Very low	120 Å²	120	149.5 Å²	149.5	78%	0.779	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-93.7	131.8	167.8	32.9	-25.5	0	0	0	111
6	A	34.6	Very low	38.8	Very low	99 Å²	99	150.1 Å²	150.1	82%	0.818	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-73.1	147.5	170.4	0	0	0	0	0	111.3
7	L	35.6	Very low	39.5	Very low	167 Å²	167	153.4 Å²	153.4	87%	0.874	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-64.8	146.8	172.3	-71.9	156.5	0	0	0	111.2
8	P	38.3	Very low	40.2	Very low	118 Å²	118	154.6 Å²	154.6	77%	0.766	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-85.6	127.4	171.8	31.9	-27.7	0	0	0	111.4	E10	P8-E10 PolarHBondContact O-N 2.93Å
9	E	37.1	Very low	41.3	Very low	190 Å²	190	147.5 Å²	147.5	89%	0.888	77%	0.771	S	S	*	*			trans	-75.1	102.3	158.6	-84.9	-174.9	145.4	0	0	108.8	Q11	E9-Q11 PolarHBondContact O-N 3.35Å
10	E	36.7	Very low	42.4	Very low	188 Å²	188	145.3 Å²	145.3	88%	0.879	76%	0.759	S	S	*	*			trans	-83.5	101.5	166	-114.8	-175.2	169.5	0	0	109.3	P8 M12	P8-E10 PolarHBondContact O-N 2.93Å; E10-M12 PolarHBondContact O-N 3.27Å
11	Q	35.9	Very low	43.4	Very low	164 Å²	164	145.8 Å²	145.8	77%	0.766	76%	0.755	S	S	*	*			trans	-63.6	103.2	167.2	-82.4	178	-21.2	0	0	109.8	E9 H13	E9-Q11 PolarHBondContact O-N 3.35Å; Q11-H13 VanDerWaalsContact C-N 3.35Å; Q11-H13 PolarHBondContact O-N 3.09Å
12	M	36.4	Very low	45.1	Very low	163 Å²	163	136.7 Å²	136.7	80%	0.803	71%	0.714	S	S	*	*			trans	-70.7	89.8	169.3	-169.1	177.4	65.5	0	0	109.3	E10 F14	E10-M12 PolarHBondContact O-N 3.27Å; M12-F14 VanDerWaalsContact C-N 3.31Å; M12-F14 PolarHBondContact O-N 3.03Å
13	H	40.9	Very low	46.8	Very low	164 Å²	164	136.8 Å²	136.8	76%	0.759	70%	0.702	S	S	*	*			trans	-64.4	92.7	167	-106.2	-78.8	0	0	0	109	Q11 N15	Q11-H13 VanDerWaalsContact C-N 3.35Å; Q11-H13 PolarHBondContact O-N 3.09Å; H13-N15 PolarHBondContact O-N 2.85Å
14	F	44.7	Very low	48.9	Very low	131 Å²	131	136.8 Å²	136.8	58%	0.575	69%	0.692	S	S	*	*			trans	-66.4	101.4	172.4	-158.4	-97.2	0	0	0	108	M12 F16	M12-F14 VanDerWaalsContact C-N 3.31Å; M12-F14 PolarHBondContact O-N 3.03Å; F14-F16 PolarHBondContact O-N 2.82Å
15	N	49.7	Very low	50.9	Low	120 Å²	120	135.8 Å²	135.8	64%	0.642	68%	0.682	S	S	*	*			trans	-60.2	100.6	176.6	-101.9	-38.9	0	0	0	108.8	H13 R17 W18 G19	H13-N15 PolarHBondContact O-N 2.85Å; N15-R17 PolarHBondContact O-N 3.43Å; N15-W18 HydrophobicContact CB-CB 4.21Å; N15-W18 WeakPolarHBondContact O-CA 3.16Å; N15-W18 WeakPolarHBondContact O-CB 3.46Å; N15-W18 PolarHBondContact O-N 3.45Å; N15-G19 PolarHBondContact O-N 2.87Å
16	F	49.4	Very low	52.7	Low	159 Å²	159	134.4 Å²	134.4	70%	0.697	67%	0.668	S	S	*	*	H	α-helix	trans	-51.7	-31.2	-177.9	-171.7	-103.1	0	0	0	112.7	F14 W18 L20	F14-F16 PolarHBondContact O-N 2.82Å; F16-W18 PolarHBondContact O-N 2.79Å; F16-L20 HydrophobicContact CD1-CD1 3.99Å; F16-L20 HydrophobicContact CE1-CD1 3.5Å; F16-L20 HydrophobicContact CE2-CD1 4.36Å; F16-L20 HydrophobicContact CZ-CD1 3.72Å; F16-L20 PolarHBondContact O-N 3.31Å
17	R	51.8	Low	54.7	Low	207 Å²	207	132 Å²	132	78%	0.781	65%	0.648	S	S	*	*	H	α-helix	trans	-69.4	-27	175.4	-61.8	-177.3	86.8	-179.4	6.9	113.8	N15 K21	N15-R17 PolarHBondContact O-N 3.43Å; R17-K21 VanDerWaalsContact O-CG 3.32Å; R17-K21 WeakPolarHBondContact O-CG 3.29Å; R17-K21 PolarHBondContact O-N 3.14Å
18	W	51.1	Low	56.8	Low	174 Å²	174	128 Å²	128	66%	0.659	63%	0.63	S	S	*	*	H	α-helix	trans	-80.9	-42.3	176.5	-166.3	69.8	0	0	0	110.8	N15 F16 L20 K21 V22	N15-W18 HydrophobicContact CB-CB 4.21Å; N15-W18 WeakPolarHBondContact O-CA 3.16Å; N15-W18 WeakPolarHBondContact O-CB 3.46Å; N15-W18 PolarHBondContact O-N 3.45Å; F16-W18 PolarHBondContact O-N 2.79Å; W18-L20 VanDerWaalsContact C-N 3.35Å; W18-L20 PolarHBondContact O-N 3.21Å; W18-K21 PolarHBondContact O-N 3.24Å; W18-V22 HydrophobicContact CD2-CG2 4.37Å; W18-V22 WeakPolarHBondContact O-CG2 3.37Å; W18-V22 PolarHBondContact O-N 3.46Å
19	G	60.4	Low	58.8	Low	20 Å²	20	126.2 Å²	126.2	21%	0.206	61%	0.613	C	S	.	*	H	α-helix	trans	-58.2	-42.4	171.6	0	0	0	0	0	113.1	N15 K21 V22 S23	N15-G19 PolarHBondContact O-N 2.87Å; G19-K21 PolarHBondContact O-N 2.99Å; G19-V22 PolarHBondContact O-N 2.71Å; G19-S23 WeakPolarHBondContact O-CB 3.49Å; G19-S23 PolarHBondContact O-N 3.02Å
20	L	63.8	Low	60.5	Low	103 Å²	103	121.9 Å²	121.9	54%	0.539	60%	0.596	S	S	.	*	H	α-helix	trans	-63.5	-41.3	175.4	-118.6	94.7	0	0	0	112.6	F16 W18 S23 L24	F16-L20 HydrophobicContact CD1-CD1 3.99Å; F16-L20 HydrophobicContact CE1-CD1 3.5Å; F16-L20 HydrophobicContact CE2-CD1 4.36Å; F16-L20 HydrophobicContact CZ-CD1 3.72Å; F16-L20 PolarHBondContact O-N 3.31Å; W18-L20 VanDerWaalsContact C-N 3.35Å; W18-L20 PolarHBondContact O-N 3.21Å; L20-S23 PolarHBondContact O-N 3.45Å; L20-L24 VanDerWaalsContact O-CB 3.28Å; L20-L24 WeakPolarHBondContact O-CB 3.46Å; L20-L24 PolarHBondContact O-N 3.15Å
21	K	63.8	Low	62.3	Low	156 Å²	156	117.2 Å²	117.2	68%	0.678	58%	0.58	S	S	*	*	H	α-helix	trans	-67.6	-39.4	179.3	-77.3	-179.7	178.2	-171.3	0	112.2	R17 W18 G19 F25	R17-K21 VanDerWaalsContact O-CG 3.32Å; R17-K21 WeakPolarHBondContact O-CG 3.29Å; R17-K21 PolarHBondContact O-N 3.14Å; W18-K21 PolarHBondContact O-N 3.24Å; G19-K21 PolarHBondContact O-N 2.99Å; K21-F25 VanDerWaalsContact O-CB 3.31Å; K21-F25 WeakPolarHBondContact O-CB 3.32Å; K21-F25 PolarHBondContact O-N 3.3Å
22	V	72.1	Confident	63.9	Low	63 Å²	63	112.8 Å²	112.8	38%	0.382	56%	0.564	S	S	.	*	H	α-helix	trans	-68	-42	176.2	173.1	0	0	0	0	110.8	W18 G19 F25 L26	W18-V22 HydrophobicContact CD2-CG2 4.37Å; W18-V22 WeakPolarHBondContact O-CG2 3.37Å; W18-V22 PolarHBondContact O-N 3.46Å; G19-V22 PolarHBondContact O-N 2.71Å; V22-F25 PolarHBondContact O-N 3.14Å; V22-L26 HydrophobicContact CG1-CD1 3.96Å; V22-L26 WeakPolarHBondContact O-CB 3.33Å; V22-L26 PolarHBondContact O-N 3.08Å
23	S	71	Confident	65.3	Low	80 Å²	80	109.3 Å²	109.3	56%	0.559	55%	0.548	S	S	*	.	H	α-helix	trans	-67.5	-37.1	176.8	-158.6	0	0	0	0	112.4	G19 L20 A27	G19-S23 WeakPolarHBondContact O-CB 3.49Å; G19-S23 PolarHBondContact O-N 3.02Å; L20-S23 PolarHBondContact O-N 3.45Å; S23-A27 VanDerWaalsContact O-CB 3.24Å; S23-A27 WeakPolarHBondContact O-CB 3.37Å; S23-A27 PolarHBondContact O-N 2.69Å
24	L	76	Confident	66	Low	122 Å²	122	105.9 Å²	105.9	64%	0.639	54%	0.535	S	S	*	.	H	α-helix	trans	-67.3	-40.6	174.2	-157.1	91.5	0	0	0	111	L20 A27 V28	L20-L24 VanDerWaalsContact O-CB 3.28Å; L20-L24 WeakPolarHBondContact O-CB 3.46Å; L20-L24 PolarHBondContact O-N 3.15Å; L24-A27 PolarHBondContact O-N 3.35Å; L24-V28 WeakPolarHBondContact O-CB 3.32Å; L24-V28 WeakPolarHBondContact O-CG2 3.45Å; L24-V28 PolarHBondContact O-N 3.37Å
25	F	80.1	Confident	66.4	Low	143 Å²	143	108.2 Å²	108.2	63%	0.627	54%	0.542	S	S	*	.	H	α-helix	trans	-65.7	-43.2	176.5	-171.9	-95.2	0	0	0	111.8	K21 V22 V28 L29	K21-F25 VanDerWaalsContact O-CB 3.31Å; K21-F25 WeakPolarHBondContact O-CB 3.32Å; K21-F25 PolarHBondContact O-N 3.3Å; V22-F25 PolarHBondContact O-N 3.14Å; F25-V28 PolarHBondContact O-N 3.44Å; F25-L29 HydrophobicContact CE1-CD1 4.35Å; F25-L29 VanDerWaalsContact O-CB 3.28Å; F25-L29 WeakPolarHBondContact O-CB 3.29Å; F25-L29 PolarHBondContact O-N 3.04Å
26	L	76.6	Confident	66.5	Low	92 Å²	92	109 Å²	109	48%	0.482	55%	0.545	S	S	.	.	H	α-helix	trans	-64.7	-39.4	173.8	-89.2	156.2	0	0	0	112.4	V22 L29 L30	V22-L26 HydrophobicContact CG1-CD1 3.96Å; V22-L26 WeakPolarHBondContact O-CB 3.33Å; V22-L26 PolarHBondContact O-N 3.08Å; L26-L29 PolarHBondContact O-N 3.37Å; L26-L30 VanDerWaalsContact O-CB 3.3Å; L26-L30 WeakPolarHBondContact O-CB 3.49Å; L26-L30 WeakPolarHBondContact O-CG 3.32Å; L26-L30 PolarHBondContact O-N 3.35Å
27	A	76.9	Confident	66.1	Low	49 Å²	49	112.3 Å²	112.3	41%	0.405	55%	0.553	S	S	.	*	H	α-helix	trans	-66.4	-42.5	175.4	0	0	0	0	0	111.5	S23 L24 L30 V31	S23-A27 VanDerWaalsContact O-CB 3.24Å; S23-A27 WeakPolarHBondContact O-CB 3.37Å; S23-A27 PolarHBondContact O-N 2.69Å; L24-A27 PolarHBondContact O-N 3.35Å; A27-L30 PolarHBondContact O-N 2.66Å; A27-V31 WeakPolarHBondContact O-CB 3.35Å; A27-V31 WeakPolarHBondContact O-CG2 3.5Å; A27-V31 PolarHBondContact O-N 3.13Å
28	V	80.8	Confident	65.4	Low	82 Å²	82	105.8 Å²	105.8	50%	0.497	54%	0.54	S	S	.	.	H	α-helix	trans	-65.4	-40	173.9	171.3	0	0	0	0	110.6	L24 F25 V31 V32	L24-V28 WeakPolarHBondContact O-CB 3.32Å; L24-V28 WeakPolarHBondContact O-CG2 3.45Å; L24-V28 PolarHBondContact O-N 3.37Å; F25-V28 PolarHBondContact O-N 3.44Å; V28-V31 PolarHBondContact O-N 3.22Å; V28-V32 HydrophobicContact CG1-CG2 4.22Å; V28-V32 VanDerWaalsContact O-CB 3.32Å; V28-V32 WeakPolarHBondContact O-CB 3.3Å; V28-V32 WeakPolarHBondContact O-CG2 3.35Å; V28-V32 PolarHBondContact O-N 2.91Å
29	L	79.4	Confident	64.8	Low	80 Å²	80	101.6 Å²	101.6	42%	0.419	54%	0.536	S	S	.	.	H	α-helix	trans	-64.4	-40.5	175.4	-160.6	93	0	0	0	111.3	F25 L26 V32 L33	F25-L29 HydrophobicContact CE1-CD1 4.35Å; F25-L29 VanDerWaalsContact O-CB 3.28Å; F25-L29 WeakPolarHBondContact O-CB 3.29Å; F25-L29 PolarHBondContact O-N 3.04Å; L26-L29 PolarHBondContact O-N 3.37Å; L29-V32 PolarHBondContact O-N 3.12Å; L29-L33 HydrophobicContact CD2-CD1 4Å; L29-L33 HydrophobicContact CG-CD1 4.09Å; L29-L33 WeakPolarHBondContact O-CB 3.25Å; L29-L33 WeakPolarHBondContact O-CD1 3.01Å; L29-L33 VanDerWaalsContact O-CG 3.25Å; L29-L33 WeakPolarHBondContact O-CG 3.34Å; L29-L33 PolarHBondContact O-N 3.19Å
30	L	73.9	Confident	63.8	Low	99 Å²	99	104.8 Å²	104.8	52%	0.518	56%	0.556	S	S	.	*	H	α-helix	trans	-68	-36.9	174.4	-88.4	159.9	0	0	0	112.1	L26 A27 N34	L26-L30 VanDerWaalsContact O-CB 3.3Å; L26-L30 WeakPolarHBondContact O-CB 3.49Å; L26-L30 WeakPolarHBondContact O-CG 3.32Å; L26-L30 PolarHBondContact O-N 3.35Å; A27-L30 PolarHBondContact O-N 2.66Å; L30-N34 WeakPolarHBondContact O-CB 3.38Å; L30-N34 VanDerWaalsContact O-CG 3.23Å; L30-N34 PolarHBondContact O-N 2.76Å; L30-N34 PolarHBondContact O-ND2 3Å; L30-N34 VanDerWaalsContact O-ND2 3.15Å
31	V	72.8	Confident	62.8	Low	90 Å²	90	107.1 Å²	107.1	55%	0.545	57%	0.569	S	S	.	*	H	α-helix	trans	-68.8	-43	173.7	169.5	0	0	0	0	110	A27 V28 N34 Y35	A27-V31 WeakPolarHBondContact O-CB 3.35Å; A27-V31 WeakPolarHBondContact O-CG2 3.5Å; A27-V31 PolarHBondContact O-N 3.13Å; V28-V31 PolarHBondContact O-N 3.22Å; V31-N34 CarbonylContact O-C 3.56Å; V31-N34 PolarHBondContact O-N 3.43Å; V31-Y35 VanDerWaalsContact O-CB 3.23Å; V31-Y35 WeakPolarHBondContact O-CB 3.43Å; V31-Y35 PolarHBondContact O-N 3.28Å
32	V	70.5	Confident	62.4	Low	72 Å²	72	102.8 Å²	102.8	44%	0.436	56%	0.555	S	S	.	*	H	α-helix	trans	-67.1	-40.9	176.1	169.3	0	0	0	0	111	V28 L29 Y35 L36	V28-V32 HydrophobicContact CG1-CG2 4.22Å; V28-V32 VanDerWaalsContact O-CB 3.32Å; V28-V32 WeakPolarHBondContact O-CB 3.3Å; V28-V32 WeakPolarHBondContact O-CG2 3.35Å; V28-V32 PolarHBondContact O-N 2.91Å; L29-V32 PolarHBondContact O-N 3.12Å; V32-Y35 CarbonylContact O-C 3.41Å; V32-Y35 PolarHBondContact O-N 2.69Å; V32-L36 HydrophobicContact CG1-CD1 3.7Å; V32-L36 HydrophobicContact CG1-CG 4.35Å; V32-L36 VanDerWaalsContact O-CB 3.27Å; V32-L36 WeakPolarHBondContact O-CB 3.22Å; V32-L36 WeakPolarHBondContact O-CD1 3.43Å; V32-L36 WeakPolarHBondContact O-CG 3.05Å; V32-L36 PolarHBondContact O-N 3Å
33	L	64.8	Low	62.6	Low	90 Å²	90	105.9 Å²	105.9	47%	0.471	57%	0.569	S	S	.	*	H	α-helix	trans	-62.9	-46.4	172	-80.9	160	0	0	0	110.1	L29 Y35 L36 W37	L29-L33 HydrophobicContact CD2-CD1 4Å; L29-L33 HydrophobicContact CG-CD1 4.09Å; L29-L33 WeakPolarHBondContact O-CB 3.25Å; L29-L33 WeakPolarHBondContact O-CD1 3.01Å; L29-L33 VanDerWaalsContact O-CG 3.25Å; L29-L33 WeakPolarHBondContact O-CG 3.34Å; L29-L33 PolarHBondContact O-N 3.19Å; L33-Y35 VanDerWaalsContact C-N 3.29Å; L33-Y35 PolarHBondContact O-N 3.32Å; L33-L36 CarbonylContact O-C 3.59Å; L33-L36 PolarHBondContact O-N 3.49Å; L33-W37 WeakPolarHBondContact O-CB 3.49Å; L33-W37 PolarHBondContact O-N 2.94Å
34	N	55.8	Low	63.1	Low	91 Å²	91	107.5 Å²	107.5	49%	0.487	57%	0.568	S	S	.	*	H	α-helix	trans	-66.7	-25.8	174.2	-78.1	-33.7	0	0	0	113.1	L30 V31 S38	L30-N34 WeakPolarHBondContact O-CB 3.38Å; L30-N34 VanDerWaalsContact O-CG 3.23Å; L30-N34 PolarHBondContact O-N 2.76Å; L30-N34 PolarHBondContact O-ND2 3Å; L30-N34 VanDerWaalsContact O-ND2 3.15Å; V31-N34 CarbonylContact O-C 3.56Å; V31-N34 PolarHBondContact O-N 3.43Å; N34-S38 VanDerWaalsContact O-CA 3.3Å; N34-S38 WeakPolarHBondContact O-CA 3.41Å; N34-S38 WeakPolarHBondContact O-CB 3.44Å; N34-S38 PolarHBondContact O-N 2.87Å; N34-S38 PolarHBondContact O-OG 3.23Å
35	Y	53.4	Low	63.5	Low	180 Å²	180	103.6 Å²	103.6	71%	0.706	55%	0.549	S	S	*	.	H	α-helix	trans	-83.1	-26.9	175.1	-146.1	-87	0	0	0	111.9	V31 V32 L33 S38	V31-Y35 VanDerWaalsContact O-CB 3.23Å; V31-Y35 WeakPolarHBondContact O-CB 3.43Å; V31-Y35 PolarHBondContact O-N 3.28Å; V32-Y35 CarbonylContact O-C 3.41Å; V32-Y35 PolarHBondContact O-N 2.69Å; L33-Y35 VanDerWaalsContact C-N 3.29Å; L33-Y35 PolarHBondContact O-N 3.32Å; Y35-S38 VanDerWaalsContact O-O 3.07Å
36	L	52.1	Low	63.5	Low	137 Å²	137	100.3 Å²	100.3	72%	0.717	54%	0.538	S	S	*	.	H	α-helix	trans	-79.5	-24.4	169.7	-73.6	164.1	0	0	0	111.7	V32 L33	V32-L36 HydrophobicContact CG1-CD1 3.7Å; V32-L36 HydrophobicContact CG1-CG 4.35Å; V32-L36 VanDerWaalsContact O-CB 3.27Å; V32-L36 WeakPolarHBondContact O-CB 3.22Å; V32-L36 WeakPolarHBondContact O-CD1 3.43Å; V32-L36 WeakPolarHBondContact O-CG 3.05Å; V32-L36 PolarHBondContact O-N 3Å; L33-L36 CarbonylContact O-C 3.59Å; L33-L36 PolarHBondContact O-N 3.49Å
37	W	41.7	Very low	63.8	Low	229 Å²	229	96.7 Å²	96.7	87%	0.867	52%	0.519	S	S	*	.	H	α-helix	trans	-101.1	-26.9	-178.7	-135.2	20	0	0	0	113.3	L33	L33-W37 WeakPolarHBondContact O-CB 3.49Å; L33-W37 PolarHBondContact O-N 2.94Å
38	S	35.7	Very low	63.6	Low	70 Å²	70	98.5 Å²	98.5	49%	0.49	52%	0.519	S	S	.	.	S	Bend	trans	-99.1	124.9	171.6	104.7	0	0	0	0	109.7	N34 Y35	N34-S38 VanDerWaalsContact O-CA 3.3Å; N34-S38 WeakPolarHBondContact O-CA 3.41Å; N34-S38 WeakPolarHBondContact O-CB 3.44Å; N34-S38 PolarHBondContact O-N 2.87Å; N34-S38 PolarHBondContact O-OG 3.23Å; Y35-S38 VanDerWaalsContact O-O 3.07Å
39	S	38.4	Very low	62.5	Low	85 Å²	85	96.9 Å²	96.9	59%	0.594	51%	0.506	S	S	*	.			trans	70.8	58.1	175.3	85.4	0	0	0	0	116.8	D41	S39-D41 PolarHBondContact O-N 2.99Å
40	S	40.8	Very low	61.3	Low	87 Å²	87	102.7 Å²	102.7	61%	0.608	52%	0.522	S	S	*	.				-71.5	99.9	116.5	164.8	0	0	0	0	104.2	T42	S40-T42 PolarHBondContact O-N 2.89Å; S40-T42 WeakPolarHBondContact OG-CG2 3.49Å
41	D	42.8	Very low	60.2	Low	153 Å²	153	104.7 Å²	104.7	82%	0.818	53%	0.529	S	S	*	.			trans	-58.1	87.4	155.1	-87.1	-22.7	0	0	0	104.2	S39 L43	S39-D41 PolarHBondContact O-N 2.99Å; D41-L43 PolarHBondContact O-N 3.2Å
42	T	55.9	Low	59.3	Low	64 Å²	64	103.8 Å²	103.8	39%	0.393	53%	0.527	S	S	.	.			trans	-65.3	96.8	174.4	46.3	0	0	0	0	103.5	S40 E44	S40-T42 PolarHBondContact O-N 2.89Å; S40-T42 WeakPolarHBondContact OG-CG2 3.49Å; T42-E44 PolarHBondContact O-N 2.7Å
43	L	75.3	Confident	59	Low	128 Å²	128	102.2 Å²	102.2	67%	0.67	52%	0.519	S	S	*	.			trans	-47.8	106.2	176.1	-172.9	88.6	0	0	0	106.5	D41 V45 H432 A433	D41-L43 PolarHBondContact O-N 3.2Å; L43-V45 HydrophobicContact CD2-CG2 3.55Å; L43-V45 HydrophobicContact CG-CG2 3.98Å; L43-V45 PolarHBondContact O-N 3.24Å; L43-H432 WeakPolarHBondContact O-CB 3.46Å; L43-A433 PolarHBondContact O-N 2.96Å
44	E	81.8	Confident	59.5	Low	115 Å²	115	108 Å²	108	54%	0.537	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	120	173.7	-75	-168.4	174.5	0	0	106.7	T42 A433	T42-E44 PolarHBondContact O-N 2.7Å; E44-A433 HydrophobicContact CG-CB 3.98Å
45	V	83.3	Confident	60.5	Low	40 Å²	40	109.2 Å²	109.2	24%	0.242	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.7	-178.6	-178.7	0	0	0	0	108.9	L43 I47 H432 A433 E435	L43-V45 HydrophobicContact CD2-CG2 3.55Å; L43-V45 HydrophobicContact CG-CG2 3.98Å; L43-V45 PolarHBondContact O-N 3.24Å; V45-I47 HydrophobicContact CG1-CG2 4.13Å; V45-I47 PolarHBondContact O-N 3.24Å; V45-I47 VanDerWaalsContact O-N 3.11Å; V45-H432 VanDerWaalsContact CB-CE1 3.44Å; V45-H432 WeakPolarHBondContact CB-CE1 3.22Å; V45-H432 WeakPolarHBondContact CB-ND1 3.38Å; V45-H432 HydrophobicContact CG2-CB 4Å; V45-H432 WeakPolarHBondContact CG2-ND1 3.3Å; V45-A433 PolarHBondContact N-O 2.64Å; V45-E435 PolarHBondContact O-N 3.35Å; V45-E435 VanDerWaalsContact O-N 3.09Å
46	N	80.7	Confident	61.5	Low	73 Å²	73	102.5 Å²	102.5	39%	0.39	52%	0.515	S	S	.	.			trans	-70.5	102.6	166	-152.4	-46.1	0	0	0	110.2	Q48 E435	N46-Q48 VanDerWaalsContact C-N 3.33Å; N46-Q48 WeakPolarHBondContact OD1-CA 3.39Å; N46-Q48 WeakPolarHBondContact OD1-CB 3.2Å; N46-Q48 PolarHBondContact OD1-N 2.85Å; N46-Q48 PolarHBondContact OD1-O 3.26Å; N46-E435 HydrophobicContact CB-CB 4.45Å; N46-E435 WeakPolarHBondContact CB-OE2 3.41Å; N46-E435 PolarHBondContact ND2-OE2 2.96Å
47	I	82.8	Confident	62.9	Low	17 Å²	17	101.8 Å²	101.8	9%	0.087	51%	0.506	C	S	.	.			trans	-91.6	2.3	172.1	63.2	171.5	0	0	0	112.5	V45 Q49 T389 T390 L391 I434 V442	V45-I47 HydrophobicContact CG1-CG2 4.13Å; V45-I47 PolarHBondContact O-N 3.24Å; V45-I47 VanDerWaalsContact O-N 3.11Å; I47-Q49 PolarHBondContact O-N 3.27Å; I47-T389 HydrophobicContact CD1-CG2 4.05Å; I47-T389 HydrophobicContact CG1-CG2 4.12Å; I47-T390 WeakPolarHBondContact O-CB 3.49Å; I47-T390 WeakPolarHBondContact O-CG2 3.16Å; I47-T390 PolarHBondContact O-OG1 2.84Å; I47-L391 HydrophobicContact CD1-CD1 4.32Å; I47-L391 HydrophobicContact CD1-CD2 3.82Å; I47-L391 HydrophobicContact CD1-CG 3.75Å; I47-I434 HydrophobicContact CD1-CD1 3.88Å; I47-I434 HydrophobicContact CD1-CG1 4Å; I47-I434 HydrophobicContact CD1-CG2 3.9Å; I47-I434 HydrophobicContact CG1-CG2 3.97Å; I47-V442 HydrophobicContact CD1-CG2 4.36Å; I47-V442 HydrophobicContact CG2-CG2 4.32Å
48	Q	72.3	Confident	64.8	Low	86 Å²	86	95.5 Å²	95.5	40%	0.402	49%	0.489	S	S	.	.	S	Bend	trans	-76.1	116.9	167.8	-166.2	174	50.2	0	0	107.2	N46 R50 K388	N46-Q48 VanDerWaalsContact C-N 3.33Å; N46-Q48 WeakPolarHBondContact OD1-CA 3.39Å; N46-Q48 WeakPolarHBondContact OD1-CB 3.2Å; N46-Q48 PolarHBondContact OD1-N 2.85Å; N46-Q48 PolarHBondContact OD1-O 3.26Å; Q48-R50 PolarHBondContact O-N 3.07Å; Q48-K388 VanDerWaalsContact CG-O 3.3Å; Q48-K388 WeakPolarHBondContact CG-O 3.49Å; Q48-K388 PolarHBondContact NE2-O 2.97Å
49	Q	58.5	Low	67.1	Low	49 Å²	49	94.7 Å²	94.7	23%	0.229	48%	0.479	C	S	.	.			trans	-63	105.9	176.1	-162	175.8	39.7	0	0	108.5	I47 Q51 R143 H146 T390	I47-Q49 PolarHBondContact O-N 3.27Å; Q49-Q51 PolarHBondContact O-N 3.27Å; Q49-R143 WeakPolarHBondContact CB-O 3.36Å; Q49-R143 PolarHBondContact OE1-O 2.95Å; Q49-H146 VanDerWaalsContact CD-O 3.31Å; Q49-H146 PolarHBondContact NE2-O 3.49Å; Q49-H146 PolarHBondContact OE1-O 3.01Å; Q49-H146 VanDerWaalsContact OE1-O 3.08Å; Q49-T390 HydrophobicContact CB-CG2 4.35Å
50	R	53.6	Low	69.1	Low	202 Å²	202	93.7 Å²	93.7	76%	0.762	47%	0.471	S	S	*	.			trans	-50.7	134.6	-178.9	-128.3	178.3	-174.8	179.7	1.9	109.5	Q48 S52	Q48-R50 PolarHBondContact O-N 3.07Å; R50-S52 PolarHBondContact O-N 2.96Å
51	Q	51.1	Low	71.2	Confident	141 Å²	141	92.8 Å²	92.8	66%	0.659	46%	0.458	S	S	*	.	S	Bend	trans	-49.1	122.9	156.9	-78.5	173.8	-38.7	0	0	107.9	Q49	Q49-Q51 PolarHBondContact O-N 3.27Å
52	S	54.3	Low	73.1	Confident	70 Å²	70	89.5 Å²	89.5	49%	0.49	44%	0.436	S	S	.	.	S	Bend	trans	30.9	90.1	170.7	-173.1	0	0	0	0	114.5	R50 Q56	R50-S52 PolarHBondContact O-N 2.96Å; S52-Q56 VanDerWaalsContact CA-OE1 3.25Å
53	S	64.8	Low	74.4	Confident	40 Å²	40	87 Å²	87	28%	0.28	42%	0.421	S	S	.	.			trans	-55.3	148.4	170	74.9	0	0	0	0	109.6	I55 Q56 K57	S53-I55 CarbonylContact O-C 3.4Å; S53-I55 PolarHBondContact O-N 3.24Å; S53-Q56 WeakPolarHBondContact O-CA 3.24Å; S53-Q56 WeakPolarHBondContact O-CB 3.36Å; S53-Q56 PolarHBondContact O-N 3.18Å; S53-Q56 WeakPolarHBondContact OG-CG 3.09Å; S53-Q56 PolarHBondContact OG-N 3.3Å; S53-Q56 VanDerWaalsContact OG-N 3.14Å; S53-K57 PolarHBondContact O-N 3.38Å
54	R	73.7	Confident	74.8	Confident	212 Å²	212	86.9 Å²	86.9	80%	0.8	42%	0.417	S	S	*	.	H	α-helix	trans	-48.2	-36.5	175.5	-178.1	179.6	176.6	-176.1	-0.5	111.5	K57 L58	R54-K57 PolarHBondContact O-N 3.04Å; R54-L58 HydrophobicContact CG-CD1 4.15Å; R54-L58 WeakPolarHBondContact O-CB 3.46Å; R54-L58 VanDerWaalsContact O-CG 3.23Å; R54-L58 WeakPolarHBondContact O-CG 3.32Å; R54-L58 PolarHBondContact O-N 3.47Å
55	I	76.9	Confident	74.9	Confident	116 Å²	116	89.7 Å²	89.7	60%	0.595	42%	0.423	S	S	*	.	H	α-helix	trans	-63.6	-47.3	175.2	-59.5	173.5	0	0	0	111.3	S53 K57 L58 L59	S53-I55 CarbonylContact O-C 3.4Å; S53-I55 PolarHBondContact O-N 3.24Å; I55-K57 VanDerWaalsContact C-N 3.34Å; I55-K57 PolarHBondContact O-N 2.64Å; I55-L58 PolarHBondContact O-N 3.12Å; I55-L59 HydrophobicContact CG2-CD1 3.96Å; I55-L59 HydrophobicContact CG2-CG 4.35Å; I55-L59 WeakPolarHBondContact O-CB 3.3Å; I55-L59 VanDerWaalsContact O-CG 3.31Å; I55-L59 WeakPolarHBondContact O-CG 3.27Å; I55-L59 PolarHBondContact O-N 3.24Å
56	Q	75.7	Confident	74.7	Confident	38 Å²	38	88.4 Å²	88.4	18%	0.178	41%	0.414	C	S	.	.	H	α-helix	trans	-60.3	-42	176.5	-76.7	171.9	-16.9	0	0	112.3	S52 S53 L59 S60	S52-Q56 VanDerWaalsContact CA-OE1 3.25Å; S53-Q56 WeakPolarHBondContact O-CA 3.24Å; S53-Q56 WeakPolarHBondContact O-CB 3.36Å; S53-Q56 PolarHBondContact O-N 3.18Å; S53-Q56 WeakPolarHBondContact OG-CG 3.09Å; S53-Q56 PolarHBondContact OG-N 3.3Å; S53-Q56 VanDerWaalsContact OG-N 3.14Å; Q56-L59 PolarHBondContact O-N 2.73Å; Q56-S60 WeakPolarHBondContact O-CB 3.45Å; Q56-S60 PolarHBondContact O-N 3.1Å
57	K	80.4	Confident	74.5	Confident	123 Å²	123	90.2 Å²	90.2	54%	0.535	42%	0.422	S	S	.	.	H	α-helix	trans	-61.9	-47.3	176.1	-167.8	-179.4	-178.4	-171.1	0	111.3	S53 R54 I55 L59 S60 E61	S53-K57 PolarHBondContact O-N 3.38Å; R54-K57 PolarHBondContact O-N 3.04Å; I55-K57 VanDerWaalsContact C-N 3.34Å; I55-K57 PolarHBondContact O-N 2.64Å; K57-L59 VanDerWaalsContact C-N 3.35Å; K57-L59 PolarHBondContact O-N 3.15Å; K57-S60 PolarHBondContact O-N 3.41Å; K57-E61 WeakPolarHBondContact CE-OE1 3.37Å; K57-E61 WeakPolarHBondContact O-CG 3.38Å; K57-E61 PolarHBondContact O-N 2.91Å
58	L	82.6	Confident	74.4	Confident	96 Å²	96	92 Å²	92	50%	0.503	44%	0.44	S	S	.	.	H	α-helix	trans	-59.8	-42.8	176.4	-72.4	168.9	0	0	0	112.2	R54 I55 K62	R54-L58 HydrophobicContact CG-CD1 4.15Å; R54-L58 WeakPolarHBondContact O-CB 3.46Å; R54-L58 VanDerWaalsContact O-CG 3.23Å; R54-L58 WeakPolarHBondContact O-CG 3.32Å; R54-L58 PolarHBondContact O-N 3.47Å; I55-L58 PolarHBondContact O-N 3.12Å; L58-K62 WeakPolarHBondContact O-CB 3.25Å; L58-K62 PolarHBondContact O-N 3.43Å
59	L	82.6	Confident	74.7	Confident	54 Å²	54	90.8 Å²	90.8	28%	0.283	44%	0.436	S	S	.	.	H	α-helix	trans	-62.9	-45.6	176.5	-74.2	170.9	0	0	0	111.3	I55 Q56 K57 K62 S63	I55-L59 HydrophobicContact CG2-CD1 3.96Å; I55-L59 HydrophobicContact CG2-CG 4.35Å; I55-L59 WeakPolarHBondContact O-CB 3.3Å; I55-L59 VanDerWaalsContact O-CG 3.31Å; I55-L59 WeakPolarHBondContact O-CG 3.27Å; I55-L59 PolarHBondContact O-N 3.24Å; Q56-L59 PolarHBondContact O-N 2.73Å; K57-L59 VanDerWaalsContact C-N 3.35Å; K57-L59 PolarHBondContact O-N 3.15Å; L59-K62 PolarHBondContact O-N 2.89Å; L59-S63 PolarHBondContact O-N 3.34Å; L59-S63 PolarHBondContact O-OG 3.28Å
60	S	81.9	Confident	76	Confident	63 Å²	63	90.9 Å²	90.9	44%	0.441	43%	0.434	S	S	.	.	H	α-helix	trans	-62.6	-48.2	178.7	-175.5	0	0	0	0	112.4	Q56 K57 K62 S63 Q64	Q56-S60 WeakPolarHBondContact O-CB 3.45Å; Q56-S60 PolarHBondContact O-N 3.1Å; K57-S60 PolarHBondContact O-N 3.41Å; S60-K62 VanDerWaalsContact C-N 3.29Å; S60-K62 PolarHBondContact O-N 2.93Å; S60-S63 PolarHBondContact O-N 3.47Å; S60-Q64 WeakPolarHBondContact O-CB 3.47Å; S60-Q64 WeakPolarHBondContact O-CG 3.33Å; S60-Q64 PolarHBondContact O-N 3.41Å
61	E	84.4	Confident	77.4	Confident	68 Å²	68	85.4 Å²	85.4	32%	0.318	43%	0.427	S	S	.	.	H	α-helix	trans	-60.2	-41.1	176.2	-72.9	176	-172	0	0	111.4	K57 Q64 R65	K57-E61 WeakPolarHBondContact CE-OE1 3.37Å; K57-E61 WeakPolarHBondContact O-CG 3.38Å; K57-E61 PolarHBondContact O-N 2.91Å; E61-Q64 PolarHBondContact O-N 3.3Å; E61-R65 WeakPolarHBondContact O-CG 3.3Å; E61-R65 PolarHBondContact O-N 3.36Å
62	K	83.3	Confident	79.3	Confident	84 Å²	84	85.2 Å²	85.2	37%	0.365	43%	0.431	S	S	.	.	H	α-helix	trans	-64	-49.1	177.4	-175.8	175.6	-177.9	174.9	0	111.9	L58 L59 S60 Q64 R65 I66 E156	L58-K62 WeakPolarHBondContact O-CB 3.25Å; L58-K62 PolarHBondContact O-N 3.43Å; L59-K62 PolarHBondContact O-N 2.89Å; S60-K62 VanDerWaalsContact C-N 3.29Å; S60-K62 PolarHBondContact O-N 2.93Å; K62-Q64 VanDerWaalsContact C-N 3.29Å; K62-Q64 PolarHBondContact O-N 3.13Å; K62-R65 PolarHBondContact O-N 3.04Å; K62-I66 HydrophobicContact CG-CD1 4.29Å; K62-I66 WeakPolarHBondContact O-CG1 3.24Å; K62-I66 PolarHBondContact O-N 2.92Å; K62-E156 WeakPolarHBondContact CE-OE1 3.18Å; K62-E156 WeakPolarHBondContact CE-OE2 3.41Å; K62-E156 IonicContact NZ-OE1 3.75Å; K62-E156 PolarHBondContact NZ-OE1 2.78Å; K62-E156 IonicContact NZ-OE2 2.56Å; K62-E156 PolarHBondContact NZ-OE2 2.77Å
63	S	82.7	Confident	81.1	Confident	11 Å²	11	83.1 Å²	83.1	8%	0.077	41%	0.414	C	S	.	.	H	α-helix	trans	-59.3	-40.2	176.3	-65.2	0	0	0	0	112.1	L59 S60 I66 M67	L59-S63 PolarHBondContact O-N 3.34Å; L59-S63 PolarHBondContact O-OG 3.28Å; S60-S63 PolarHBondContact O-N 3.47Å; S63-I66 PolarHBondContact O-N 3.46Å; S63-M67 WeakPolarHBondContact O-CB 3.35Å; S63-M67 VanDerWaalsContact O-CG 3.3Å; S63-M67 WeakPolarHBondContact O-CG 3.4Å; S63-M67 PolarHBondContact O-N 3.25Å
64	Q	83.4	Confident	82.5	Confident	127 Å²	127	85.8 Å²	85.8	59%	0.593	43%	0.43	S	S	*	.	H	α-helix	trans	-62.6	-42.3	175.4	-77	175.7	-13.9	0	0	112.5	S60 E61 K62 M67 A68	S60-Q64 WeakPolarHBondContact O-CB 3.47Å; S60-Q64 WeakPolarHBondContact O-CG 3.33Å; S60-Q64 PolarHBondContact O-N 3.41Å; E61-Q64 PolarHBondContact O-N 3.3Å; K62-Q64 VanDerWaalsContact C-N 3.29Å; K62-Q64 PolarHBondContact O-N 3.13Å; Q64-M67 PolarHBondContact O-N 3.27Å; Q64-A68 WeakPolarHBondContact O-CB 3.49Å; Q64-A68 PolarHBondContact O-N 3.1Å
65	R	83.4	Confident	83.6	Confident	174 Å²	174	80.7 Å²	80.7	66%	0.657	41%	0.412	S	S	*	.	H	α-helix	trans	-61.7	-48.1	175.6	-71.8	178.8	-163.9	177.2	6	111.9	E61 K62 M67 A68 D69	E61-R65 WeakPolarHBondContact O-CG 3.3Å; E61-R65 PolarHBondContact O-N 3.36Å; K62-R65 PolarHBondContact O-N 3.04Å; R65-M67 PolarHBondContact O-N 3.22Å; R65-A68 PolarHBondContact O-N 3.37Å; R65-D69 PolarHBondContact O-N 3.09Å
66	I	80.2	Confident	84.5	Confident	12 Å²	12	81.3 Å²	81.3	6%	0.062	41%	0.41	C	S	.	.	H	α-helix	trans	-56.8	-38.5	177.4	-66.4	170.2	0	0	0	111.3	K62 S63 A68 I154 E156	K62-I66 HydrophobicContact CG-CD1 4.29Å; K62-I66 WeakPolarHBondContact O-CG1 3.24Å; K62-I66 PolarHBondContact O-N 2.92Å; S63-I66 PolarHBondContact O-N 3.46Å; I66-A68 VanDerWaalsContact C-N 3.33Å; I66-I154 HydrophobicContact CD1-CB 4.14Å; I66-I154 HydrophobicContact CD1-CD1 4.27Å; I66-I154 HydrophobicContact CD1-CG2 3.95Å; I66-I154 HydrophobicContact CG2-CD1 4.4Å; I66-E156 HydrophobicContact CD1-CG 4.24Å; I66-E156 WeakPolarHBondContact CD1-OE1 3.31Å
67	M	76.2	Confident	85.5	Confident	111 Å²	111	83.8 Å²	83.8	55%	0.547	42%	0.424	S	S	.	.	H	α-helix	trans	-75.1	-20.4	178	-72.2	176.4	50.5	0	0	113.8	S63 Q64 R65 Q236	S63-M67 WeakPolarHBondContact O-CB 3.35Å; S63-M67 VanDerWaalsContact O-CG 3.3Å; S63-M67 WeakPolarHBondContact O-CG 3.4Å; S63-M67 PolarHBondContact O-N 3.25Å; Q64-M67 PolarHBondContact O-N 3.27Å; R65-M67 PolarHBondContact O-N 3.22Å; M67-Q236 PolarHBondContact O-NE2 3.19Å
68	A	80.9	Confident	86.2	Confident	56 Å²	56	80.1 Å²	80.1	46%	0.463	41%	0.408	S	S	.	.	H	α-helix	trans	-90.9	-14.7	-179.9	0	0	0	0	0	113.9	Q64 R65 I66 S71	Q64-A68 WeakPolarHBondContact O-CB 3.49Å; Q64-A68 PolarHBondContact O-N 3.1Å; R65-A68 PolarHBondContact O-N 3.37Å; I66-A68 VanDerWaalsContact C-N 3.33Å; A68-S71 WeakPolarHBondContact O-CB 3.3Å; A68-S71 PolarHBondContact O-OG 3.31Å; A68-S71 VanDerWaalsContact O-OG 3.14Å
69	D	78.8	Confident	86.7	Confident	60 Å²	60	81.5 Å²	81.5	32%	0.321	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	147	173.6	-83	0.9	0	0	0	110.7	R65 S71 R184 Q236	R65-D69 PolarHBondContact O-N 3.09Å; D69-S71 PolarHBondContact O-N 2.99Å; D69-R184 IonicContact OD2-NH2 2.93Å; D69-R184 PolarHBondContact OD2-NH2 2.83Å; D69-Q236 PolarHBondContact O-NE2 2.94Å
70	Y	85.6	Confident	87.2	Confident	50 Å²	50	83.8 Å²	83.8	20%	0.196	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	18.8	176.5	-43.7	-75	0	0	0	116.1	D72 I73 N232 R233	Y70-D72 VanDerWaalsContact C-OD1 3.27Å; Y70-D72 WeakPolarHBondContact CA-OD1 3.4Å; Y70-D72 PolarHBondContact O-N 3.45Å; Y70-D72 VanDerWaalsContact O-N 3.15Å; Y70-I73 HydrophobicContact CD1-CD1 4.08Å; Y70-I73 HydrophobicContact CG-CD1 4.49Å; Y70-I73 PolarHBondContact O-N 3.18Å; Y70-I73 VanDerWaalsContact O-N 3.09Å; Y70-N232 HydrophobicContact CD2-CB 3.99Å; Y70-N232 HydrophobicContact CE1-CB 4.33Å; Y70-N232 HydrophobicContact CE2-CB 3.51Å; Y70-N232 PolarHBondContact OH-ND2 3.17Å; Y70-N232 VanDerWaalsContact OH-ND2 3.1Å; Y70-R233 WeakPolarHBondContact O-CD 3.45Å; Y70-R233 PolarHBondContact O-NE 3.15Å; Y70-R233 VanDerWaalsContact O-NE 3.14Å; Y70-R233 PolarHBondContact O-NH1 3.18Å
71	S	82.4	Confident	87.7	Confident	88 Å²	88	80.9 Å²	80.9	62%	0.615	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-21	178.3	44.5	0	0	0	0	114.1	A68 D69 R233	A68-S71 WeakPolarHBondContact O-CB 3.3Å; A68-S71 PolarHBondContact O-OG 3.31Å; A68-S71 VanDerWaalsContact O-OG 3.14Å; D69-S71 PolarHBondContact O-N 2.99Å; S71-R233 PolarHBondContact O-NH2 3.33Å
72	D	90.3	Very high	88	Confident	136 Å²	136	78.8 Å²	78.8	73%	0.727	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-16.2	176.5	61.7	-44.6	0	0	0	114.3	Y70	Y70-D72 VanDerWaalsContact C-OD1 3.27Å; Y70-D72 WeakPolarHBondContact CA-OD1 3.4Å; Y70-D72 PolarHBondContact O-N 3.45Å; Y70-D72 VanDerWaalsContact O-N 3.15Å
73	I	93.1	Very high	88.4	Confident	26 Å²	26	78.3 Å²	78.3	13%	0.133	41%	0.405	C	S	.	.	S	Bend	trans	-86.2	123.5	-178.1	-58	-178.3	0	0	0	110.4	Y70 V208 S229 R233	Y70-I73 HydrophobicContact CD1-CD1 4.08Å; Y70-I73 HydrophobicContact CG-CD1 4.49Å; Y70-I73 PolarHBondContact O-N 3.18Å; Y70-I73 VanDerWaalsContact O-N 3.09Å; I73-V208 HydrophobicContact CG2-CG1 3.9Å; I73-S229 WeakPolarHBondContact CD1-O 3.33Å; I73-R233 HydrophobicContact CB-CB 4.21Å; I73-R233 HydrophobicContact CB-CG 3.83Å; I73-R233 HydrophobicContact CD1-CB 4.21Å; I73-R233 HydrophobicContact CG2-CB 4.1Å; I73-R233 HydrophobicContact CG2-CG 3.81Å; I73-R233 PolarHBondContact O-NE 2.82Å; I73-R233 PolarHBondContact O-NH2 3.3Å
74	P	94.5	Very high	88.8	Confident	96 Å²	96	82.5 Å²	82.5	62%	0.623	42%	0.423	S	S	*	.			trans	-70.4	152.5	-178	29.6	-35.2	0	0	0	112.1
75	Y	95.9	Very high	89.1	Confident	106 Å²	106	77.8 Å²	77.8	42%	0.416	40%	0.402	S	S	.	.			trans	-146.5	161.5	179.4	61.4	-90.1	0	0	0	110.7	I77 A206 T207 R233 F237	Y75-I77 HydrophobicContact CD2-CG1 4.12Å; Y75-I77 HydrophobicContact CE2-CD1 4.28Å; Y75-I77 HydrophobicContact CE2-CG1 3.72Å; Y75-A206 HydrophobicContact CD2-CB 3.55Å; Y75-A206 HydrophobicContact CE2-CB 4.3Å; Y75-A206 HydrophobicContact CG-CB 4.24Å; Y75-T207 CarbonylContact C-O 3.57Å; Y75-T207 VanDerWaalsContact CA-O 3.29Å; Y75-T207 WeakPolarHBondContact CA-O 3.5Å; Y75-T207 WeakPolarHBondContact CB-O 3.05Å; Y75-R233 VanDerWaalsContact CE1-NH2 3.3Å; Y75-F237 HydrophobicContact CD1-CE2 4.04Å; Y75-F237 AromaticContact CD1-CZ 3.55Å; Y75-F237 HydrophobicContact CD1-CZ 3.55Å; Y75-F237 HydrophobicContact CD2-CE1 4.34Å; Y75-F237 HydrophobicContact CD2-CE2 4.37Å; Y75-F237 AromaticContact CD2-CZ 3.91Å; Y75-F237 HydrophobicContact CD2-CZ 3.91Å; Y75-F237 AromaticContact CE1-CZ 3.83Å; Y75-F237 HydrophobicContact CE1-CZ 3.83Å; Y75-F237 HydrophobicContact CE2-CE1 4.29Å; Y75-F237 HydrophobicContact CE2-CZ 4.15Å; Y75-F237 HydrophobicContact CG-CE1 4.44Å; Y75-F237 AromaticContact CG-CE2 3.83Å; Y75-F237 HydrophobicContact CG-CE2 3.83Å; Y75-F237 AromaticContact CG-CZ 3.58Å; Y75-F237 HydrophobicContact CG-CZ 3.58Å
76	K	96.8	Very high	89.2	Confident	129 Å²	129	74.1 Å²	74.1	56%	0.561	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	122	175.2	-67.3	172.7	-176.8	160.4	0	109.4	A206 T207 D209	K76-A206 CarbonylContact O-C 3.54Å; K76-A206 WeakPolarHBondContact O-CA 3.48Å; K76-A206 WeakPolarHBondContact O-CB 3.38Å; K76-T207 PolarHBondContact N-O 2.91Å; K76-T207 PolarHBondContact O-N 3.01Å; K76-D209 IonicContact NZ-OD1 3.9Å
77	I	96.2	Very high	89.1	Confident	90 Å²	90	80.3 Å²	80.3	46%	0.462	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	137.2	-179.1	-62.3	174.9	0	0	0	109.8	Y75 E79 A82	Y75-I77 HydrophobicContact CD2-CG1 4.12Å; Y75-I77 HydrophobicContact CE2-CD1 4.28Å; Y75-I77 HydrophobicContact CE2-CG1 3.72Å; I77-E79 HydrophobicContact CG2-CG 4.26Å; I77-A82 HydrophobicContact CG2-CB 3.75Å
78	K	95.8	Very high	88.8	Confident	46 Å²	46	83.7 Å²	83.7	20%	0.2	45%	0.45	C	S	.	.			trans	-100.7	89.3	173.1	-179.7	173.4	177.1	-161.2	0	108.1	N80 V81 A82 D203 V204 A205	K78-N80 VanDerWaalsContact C-N 3.29Å; K78-N80 WeakPolarHBondContact CE-OD1 3.47Å; K78-N80 WeakPolarHBondContact CG-OD1 3.43Å; K78-N80 PolarHBondContact O-N 3.42Å; K78-V81 HydrophobicContact CD-CG2 3.73Å; K78-V81 HydrophobicContact CG-CB 4.34Å; K78-V81 HydrophobicContact CG-CG2 3.93Å; K78-V81 PolarHBondContact O-N 3.21Å; K78-A82 PolarHBondContact O-N 3.32Å; K78-D203 IonicContact NZ-OD1 2.99Å; K78-D203 PolarHBondContact NZ-OD1 3.09Å; K78-D203 IonicContact NZ-OD2 2.87Å; K78-D203 PolarHBondContact NZ-OD2 3.01Å; K78-V204 WeakPolarHBondContact CD-O 3.41Å; K78-A205 PolarHBondContact N-O 3.16Å
79	E	93.1	Very high	88.3	Confident	125 Å²	125	84.7 Å²	84.7	58%	0.584	46%	0.458	S	S	*	.	H	α-helix	trans	-60.7	-32.8	-166.2	-68.1	-62.8	-179.1	0	0	114.9	I77 V81 A82 S83	I77-E79 HydrophobicContact CG2-CG 4.26Å; E79-V81 PolarHBondContact O-N 3.44Å; E79-A82 PolarHBondContact O-N 2.97Å; E79-S83 VanDerWaalsContact O-CB 3.25Å; E79-S83 WeakPolarHBondContact O-CB 3.35Å; E79-S83 PolarHBondContact O-N 2.95Å; E79-S83 PolarHBondContact O-OG 3.41Å
80	N	92.2	Very high	88.2	Confident	101 Å²	101	87.7 Å²	87.7	54%	0.54	48%	0.482	S	S	.	.	H	α-helix	trans	-66.3	-20.3	177.2	66.7	-32.3	0	0	0	113.6	K78 Q84	K78-N80 VanDerWaalsContact C-N 3.29Å; K78-N80 WeakPolarHBondContact CE-OD1 3.47Å; K78-N80 WeakPolarHBondContact CG-OD1 3.43Å; K78-N80 PolarHBondContact O-N 3.42Å; N80-Q84 PolarHBondContact O-NE2 3.47Å
81	V	92.3	Very high	87.8	Confident	3 Å²	3	90.6 Å²	90.6	2%	0.018	51%	0.505	C	S	.	.	H	α-helix	trans	-98.8	-43.9	174.8	-179.1	0	0	0	0	110.4	K78 E79 S83 Q84 D203 T239	K78-V81 HydrophobicContact CD-CG2 3.73Å; K78-V81 HydrophobicContact CG-CB 4.34Å; K78-V81 HydrophobicContact CG-CG2 3.93Å; K78-V81 PolarHBondContact O-N 3.21Å; E79-V81 PolarHBondContact O-N 3.44Å; V81-S83 VanDerWaalsContact C-N 3.27Å; V81-S83 PolarHBondContact O-N 2.99Å; V81-Q84 WeakPolarHBondContact O-CB 3.25Å; V81-Q84 PolarHBondContact O-N 3.18Å; V81-D203 HydrophobicContact CG1-CB 4.2Å; V81-D203 HydrophobicContact CG2-CB 4.22Å; V81-D203 VanDerWaalsContact CG2-OD2 3.24Å; V81-D203 WeakPolarHBondContact CG2-OD2 3.38Å; V81-T239 HydrophobicContact CG1-CG2 4.03Å
82	A	91.4	Very high	87.7	Confident	24 Å²	24	90.8 Å²	90.8	20%	0.198	51%	0.505	C	S	.	.	H	α-helix	trans	-59.8	-37.8	-179.5	0	0	0	0	0	112.3	I77 K78 E79 Q84 L85	I77-A82 HydrophobicContact CG2-CB 3.75Å; K78-A82 PolarHBondContact O-N 3.32Å; E79-A82 PolarHBondContact O-N 2.97Å; A82-Q84 PolarHBondContact O-N 3.43Å; A82-L85 WeakPolarHBondContact O-CB 3.33Å; A82-L85 PolarHBondContact O-N 3.03Å; A82-L85 VanDerWaalsContact O-N 3.12Å
83	S	90.4	Very high	87	Confident	73 Å²	73	92 Å²	92	51%	0.51	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.1	175.3	54.3	0	0	0	0	114.6	E79 V81	E79-S83 VanDerWaalsContact O-CB 3.25Å; E79-S83 WeakPolarHBondContact O-CB 3.35Å; E79-S83 PolarHBondContact O-N 2.95Å; E79-S83 PolarHBondContact O-OG 3.41Å; V81-S83 VanDerWaalsContact C-N 3.27Å; V81-S83 PolarHBondContact O-N 2.99Å
84	Q	91.3	Very high	86.1	Confident	99 Å²	99	93.6 Å²	93.6	46%	0.463	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-13.6	177.5	-55.6	179.1	16.2	0	0	112.8	N80 V81 A82 T175	N80-Q84 PolarHBondContact O-NE2 3.47Å; V81-Q84 WeakPolarHBondContact O-CB 3.25Å; V81-Q84 PolarHBondContact O-N 3.18Å; A82-Q84 PolarHBondContact O-N 3.43Å; Q84-T175 PolarHBondContact OE1-OG1 3.35Å
85	L	91.2	Very high	84.7	Confident	29 Å²	29	91.3 Å²	91.3	15%	0.152	52%	0.517	C	S	.	.	S	Bend	trans	-72.2	151.5	-179.7	-67.5	172.9	0	0	0	111.4	A82 H87 T175 I177 A205 T239	A82-L85 WeakPolarHBondContact O-CB 3.33Å; A82-L85 PolarHBondContact O-N 3.03Å; A82-L85 VanDerWaalsContact O-N 3.12Å; L85-H87 PolarHBondContact O-CE1 3.04Å; L85-H87 PolarHBondContact O-N 3.38Å; L85-H87 PolarHBondContact O-ND1 3.05Å; L85-T175 HydrophobicContact CD2-CG2 3.97Å; L85-I177 HydrophobicContact CD1-CD1 3.78Å; L85-I177 HydrophobicContact CD1-CG1 3.83Å; L85-I177 HydrophobicContact CD2-CG1 3.91Å; L85-A205 HydrophobicContact CD1-CB 3.98Å; L85-T239 HydrophobicContact CD2-CG2 4.06Å
86	P	84.1	Confident	83.1	Confident	97 Å²	97	94.8 Å²	94.8	63%	0.63	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-60.8	130	175.4	24.6	-33.5	0	0	0	110.3	T175	P86-T175 VanDerWaalsContact CD-O 3.3Å; P86-T175 WeakPolarHBondContact CD-O 3.34Å
87	H	78.3	Confident	81.1	Confident	142 Å²	142	95.5 Å²	95.5	66%	0.657	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-86	150.7	175.5	-64.9	52.5	0	0	0	109.8	L85 A89	L85-H87 PolarHBondContact O-CE1 3.04Å; L85-H87 PolarHBondContact O-N 3.38Å; L85-H87 PolarHBondContact O-ND1 3.05Å; H87-A89 PolarHBondContact O-N 3.43Å; H87-A89 VanDerWaalsContact O-N 3.08Å
88	N	71.1	Confident	79.1	Confident	182 Å²	182	97.1 Å²	97.1	97%	0.973	56%	0.557	S	S	*	*	S	Bend	trans	-64.2	-13.8	179.8	-71.2	-20.3	0	0	0	113.8
89	A	68.9	Low	77.1	Confident	76 Å²	76	104 Å²	104	63%	0.628	59%	0.587	S	S	*	*	S	Bend	trans	-131.2	141.2	174.9	0	0	0	0	0	109.8	H87	H87-A89 PolarHBondContact O-N 3.43Å; H87-A89 VanDerWaalsContact O-N 3.08Å
90	C	77.2	Confident	75.3	Confident	124 Å²	124	107 Å²	107	84%	0.838	59%	0.593	S	S	*	*			trans	-106.1	128.4	172.8	-177.6	0	0	0	0	108.8
91	V	78.1	Confident	73.8	Confident	110 Å²	110	107.9 Å²	107.9	67%	0.667	60%	0.597	S	S	*	*			trans	-130.1	126.7	173.1	-177.8	0	0	0	0	107.5	Q93	V91-Q93 PolarHBondContact O-N 2.86Å
92	C	79.1	Confident	72.5	Confident	92 Å²	92	112.7 Å²	112.7	62%	0.622	63%	0.629	S	S	*	*			trans	-71	115.6	169	-62.2	0	0	0	0	108.2	A113	C92-A113 HydrophobicContact CB-CB 3.86Å; C92-A113 VanDerWaalsContact O-CB 3.29Å; C92-A113 WeakPolarHBondContact O-CB 3.37Å
93	Q	75.8	Confident	71.2	Confident	162 Å²	162	119.4 Å²	119.4	76%	0.757	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-99	133.5	173.2	-66.7	177.6	-7.4	0	0	108.7	V91	V91-Q93 PolarHBondContact O-N 2.86Å
94	A	74.4	Confident	70	Confident	60 Å²	60	117.4 Å²	117.4	50%	0.496	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-68.7	152.2	168.3	0	0	0	0	0	108.6	E96 A113	A94-E96 PolarHBondContact O-N 3.32Å; A94-A113 HydrophobicContact CB-CB 4.14Å
95	G	65.4	Low	68.7	Low	48 Å²	48	116.8 Å²	116.8	50%	0.495	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-58.2	137.7	173.5	0	0	0	0	0	110.4	E97 V111	G95-E97 PolarHBondContact O-N 2.88Å; G95-V111 PolarHBondContact N-O 2.77Å
96	E	61.5	Low	67.5	Low	179 Å²	179	122.5 Å²	122.5	84%	0.836	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-56	135.5	174.8	-71.3	-175.7	161.9	0	0	110.1	A94 T98	A94-E96 PolarHBondContact O-N 3.32Å; E96-T98 VanDerWaalsContact C-N 3.29Å; E96-T98 PolarHBondContact O-N 3.33Å
97	E	55.6	Low	66.7	Low	144 Å²	144	123.9 Å²	123.9	67%	0.673	67%	0.671	S	S	*	*			trans	-64.5	89.5	175.3	-73.7	-161.6	-171.6	0	0	109.4	G95 R100	G95-E97 PolarHBondContact O-N 2.88Å; E97-R100 IonicContact OE1-NH2 3.63Å; E97-R100 IonicContact OE2-CZ 3.67Å; E97-R100 IonicContact OE2-NE 3.27Å; E97-R100 IonicContact OE2-NH2 2.93Å; E97-R100 PolarHBondContact OE2-NH2 3.12Å
98	T	54.3	Low	66.2	Low	124 Å²	124	124.2 Å²	124.2	76%	0.761	67%	0.671	S	S	*	*			trans	-82.4	140.9	167.2	42.5	0	0	0	0	109.4	E96	E96-T98 VanDerWaalsContact C-N 3.29Å; E96-T98 PolarHBondContact O-N 3.33Å
99	F	53.7	Low	65.8	Low	191 Å²	191	120.9 Å²	120.9	84%	0.838	66%	0.659	S	S	*	*			trans	-8.1	119.5	-177.1	-115	-98.6	0	0	0	117.5	L101	F99-L101 PolarHBondContact O-N 3.38Å
100	R	54.5	Low	65.8	Low	187 Å²	187	122.6 Å²	122.6	71%	0.706	65%	0.649	S	S	*	*			trans	-71.6	95.8	178.1	-67.2	-176	-176.1	-170.5	0.3	111.7	E97	E97-R100 IonicContact OE1-NH2 3.63Å; E97-R100 IonicContact OE2-CZ 3.67Å; E97-R100 IonicContact OE2-NE 3.27Å; E97-R100 IonicContact OE2-NH2 2.93Å; E97-R100 PolarHBondContact OE2-NH2 3.12Å
101	L	61.9	Low	65.5	Low	119 Å²	119	121.5 Å²	121.5	62%	0.623	64%	0.639	S	S	*	*			trans	-93.2	140.8	163.9	-69.5	167.8	0	0	0	109.9	F99 F103 S104	F99-L101 PolarHBondContact O-N 3.38Å; L101-F103 PolarHBondContact O-N 3.21Å; L101-S104 VanDerWaalsContact O-CB 3.32Å; L101-S104 WeakPolarHBondContact O-CB 3.29Å; L101-S104 PolarHBondContact O-N 2.86Å; L101-S104 PolarHBondContact O-OG 3.36Å
102	P	63.3	Low	65.4	Low	105 Å²	105	126.4 Å²	126.4	68%	0.682	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	138.9	170.1	23.8	-31	0	0	0	109.7	S104	P102-S104 VanDerWaalsContact C-N 3.27Å; P102-S104 PolarHBondContact O-N 3.39Å
103	F	65	Low	65.5	Low	164 Å²	164	124 Å²	124	72%	0.719	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.5	6	-176.4	-43.5	-78.8	0	0	0	117	L101 D105 L106 L107	L101-F103 PolarHBondContact O-N 3.21Å; F103-D105 PolarHBondContact O-N 3.39Å; F103-L106 WeakPolarHBondContact O-CB 3.13Å; F103-L106 PolarHBondContact O-N 3.13Å; F103-L107 PolarHBondContact O-N 3.49Å
104	S	66.2	Low	65.8	Low	32 Å²	32	121.9 Å²	121.9	22%	0.224	62%	0.622	C	S	.	*	H	α-helix	trans	-54.5	-38.1	175.1	46.9	0	0	0	0	113.1	L101 P102 L106 L107 F108	L101-S104 VanDerWaalsContact O-CB 3.32Å; L101-S104 WeakPolarHBondContact O-CB 3.29Å; L101-S104 PolarHBondContact O-N 2.86Å; L101-S104 PolarHBondContact O-OG 3.36Å; P102-S104 VanDerWaalsContact C-N 3.27Å; P102-S104 PolarHBondContact O-N 3.39Å; S104-L106 PolarHBondContact O-N 3.15Å; S104-L107 PolarHBondContact O-N 3.08Å; S104-F108 PolarHBondContact O-N 3Å
105	D	63.9	Low	66.4	Low	86 Å²	86	123.5 Å²	123.5	46%	0.46	62%	0.622	S	S	.	*	H	α-helix	trans	-66.3	-21.6	178	-63.2	-28.5	0	0	0	114	F103 R110	F103-D105 PolarHBondContact O-N 3.39Å; D105-R110 VanDerWaalsContact CG-NH2 3.34Å; D105-R110 WeakPolarHBondContact OD1-CG 3.49Å; D105-R110 IonicContact OD1-CZ 3.97Å; D105-R110 VanDerWaalsContact OD1-CZ 3.23Å; D105-R110 IonicContact OD1-NE 3.95Å; D105-R110 PolarHBondContact OD1-NE 2.96Å; D105-R110 IonicContact OD1-NH2 3.23Å; D105-R110 PolarHBondContact OD1-NH2 2.89Å; D105-R110 IonicContact OD2-CZ 3.5Å; D105-R110 IonicContact OD2-NE 2.69Å; D105-R110 IonicContact OD2-NH2 3.61Å; D105-R110 PolarHBondContact OD2-NH2 3.39Å
106	L	65.9	Low	67.5	Low	148 Å²	148	127.4 Å²	127.4	78%	0.775	63%	0.631	S	S	*	*	H	α-helix	trans	-81.2	-33.2	178.4	-153.4	94	0	0	0	111.7	F103 S104	F103-L106 WeakPolarHBondContact O-CB 3.13Å; F103-L106 PolarHBondContact O-N 3.13Å; S104-L106 PolarHBondContact O-N 3.15Å
107	L	66.8	Low	68.8	Low	127 Å²	127	123.9 Å²	123.9	67%	0.665	62%	0.615	S	S	*	*	H	α-helix	trans	-93.7	-27	-178.1	-65.4	172.6	0	0	0	112.3	F103 S104	F103-L107 PolarHBondContact O-N 3.49Å; S104-L107 PolarHBondContact O-N 3.08Å
108	F	67.4	Low	70.4	Confident	149 Å²	149	123.4 Å²	123.4	65%	0.654	61%	0.613	S	S	*	*	S	Bend	trans	-135.9	92.8	-177.1	-53.6	-74.2	0	0	0	109.8	S104 R110	S104-F108 PolarHBondContact O-N 3Å; F108-R110 PolarHBondContact O-N 3.44Å
109	P	63.7	Low	72	Confident	112 Å²	112	119.1 Å²	119.1	73%	0.727	59%	0.589	S	S	*	*			trans	-56	125.1	176.7	-21.5	31.2	0	0	0	110.4
110	R	67.4	Low	73.8	Confident	111 Å²	111	114.3 Å²	114.3	42%	0.419	57%	0.568	S	S	.	*			trans	-64.1	142.4	-179	-65.4	-168.1	-171.1	176.7	14	111.7	D105 F108 W112	D105-R110 VanDerWaalsContact CG-NH2 3.34Å; D105-R110 WeakPolarHBondContact OD1-CG 3.49Å; D105-R110 IonicContact OD1-CZ 3.97Å; D105-R110 VanDerWaalsContact OD1-CZ 3.23Å; D105-R110 IonicContact OD1-NE 3.95Å; D105-R110 PolarHBondContact OD1-NE 2.96Å; D105-R110 IonicContact OD1-NH2 3.23Å; D105-R110 PolarHBondContact OD1-NH2 2.89Å; D105-R110 IonicContact OD2-CZ 3.5Å; D105-R110 IonicContact OD2-NE 2.69Å; D105-R110 IonicContact OD2-NH2 3.61Å; D105-R110 PolarHBondContact OD2-NH2 3.39Å; F108-R110 PolarHBondContact O-N 3.44Å; R110-W112 HydrophobicContact CB-CZ2 4.41Å; R110-W112 PolarHBondContact O-N 2.91Å; R110-W112 PolarHBondContact O-NE1 3.48Å
111	V	71.7	Confident	75.6	Confident	102 Å²	102	106.6 Å²	106.6	62%	0.618	54%	0.541	S	S	*	.			trans	-83.7	109.1	170.2	-178	0	0	0	0	108.7	G95	G95-V111 PolarHBondContact N-O 2.77Å
112	W	75.8	Confident	76.9	Confident	212 Å²	212	105.1 Å²	105.1	80%	0.803	55%	0.546	S	S	*	.			trans	-91.9	139.2	177.9	-59.8	87.9	0	0	0	110.8	R110	R110-W112 HydrophobicContact CB-CZ2 4.41Å; R110-W112 PolarHBondContact O-N 2.91Å; R110-W112 PolarHBondContact O-NE1 3.48Å
113	A	81.8	Confident	78.2	Confident	41 Å²	41	107.5 Å²	107.5	34%	0.339	55%	0.55	S	S	.	.			trans	-109.9	134.4	169.4	0	0	0	0	0	109.9	C92 A94	C92-A113 HydrophobicContact CB-CB 3.86Å; C92-A113 VanDerWaalsContact O-CB 3.29Å; C92-A113 WeakPolarHBondContact O-CB 3.37Å; A94-A113 HydrophobicContact CB-CB 4.14Å
114	H	81.4	Confident	79.4	Confident	118 Å²	118	102.6 Å²	102.6	55%	0.546	53%	0.529	S	S	.	.			trans	-130.9	121.1	-178.6	-175.5	-82.1	0	0	0	110.5	L116 A119	H114-L116 WeakPolarHBondContact ND1-CD2 3.24Å; H114-L116 PolarHBondContact O-N 2.96Å; H114-L116 VanDerWaalsContact O-N 3.09Å; H114-A119 WeakPolarHBondContact CE1-CB 3.45Å
115	N	86.4	Confident	80.5	Confident	94 Å²	94	107.2 Å²	107.2	50%	0.503	56%	0.561	S	S	.	*			trans	-80.8	91.3	175.4	-171.3	-27.1	0	0	0	110.1	Q117 Q118 A119	N115-Q117 VanDerWaalsContact C-N 3.28Å; N115-Q117 PolarHBondContact O-N 2.9Å; N115-Q117 PolarHBondContact OD1-N 2.85Å; N115-Q118 HydrophobicContact CB-CB 4.14Å; N115-Q118 PolarHBondContact O-N 2.93Å; N115-Q118 PolarHBondContact OD1-N 2.83Å; N115-A119 WeakPolarHBondContact O-CB 3.37Å; N115-A119 PolarHBondContact O-N 2.82Å
116	L	90	Very high	81.7	Confident	131 Å²	131	106 Å²	106	69%	0.686	56%	0.555	S	S	*	*	H	α-helix	trans	-59.9	-36	-178.7	-65.4	169.3	0	0	0	113	H114 F120	H114-L116 WeakPolarHBondContact ND1-CD2 3.24Å; H114-L116 PolarHBondContact O-N 2.96Å; H114-L116 VanDerWaalsContact O-N 3.09Å; L116-F120 WeakPolarHBondContact O-CB 3.49Å; L116-F120 PolarHBondContact O-N 2.87Å
117	Q	89.1	Confident	82.9	Confident	104 Å²	104	101 Å²	101	49%	0.486	53%	0.532	S	S	.	.	H	α-helix	trans	-64.9	-50.2	179.5	175.6	176.8	-7.7	0	0	110.7	N115 L121	N115-Q117 VanDerWaalsContact C-N 3.28Å; N115-Q117 PolarHBondContact O-N 2.9Å; N115-Q117 PolarHBondContact OD1-N 2.85Å; Q117-L121 HydrophobicContact CG-CD1 3.56Å; Q117-L121 HydrophobicContact CG-CG 4.26Å; Q117-L121 VanDerWaalsContact O-CB 3.25Å; Q117-L121 WeakPolarHBondContact O-CB 3.3Å; Q117-L121 WeakPolarHBondContact O-CG 3.21Å; Q117-L121 PolarHBondContact O-N 2.66Å
118	Q	87.7	Confident	84.1	Confident	135 Å²	135	99.7 Å²	99.7	63%	0.631	52%	0.522	S	S	*	.	H	α-helix	trans	-63.7	-45.3	179.5	-174	177.2	3.3	0	0	111.3	N115 F120 A122	N115-Q118 HydrophobicContact CB-CB 4.14Å; N115-Q118 PolarHBondContact O-N 2.93Å; N115-Q118 PolarHBondContact OD1-N 2.83Å; Q118-F120 PolarHBondContact O-N 3.14Å; Q118-A122 VanDerWaalsContact O-CB 3.3Å; Q118-A122 WeakPolarHBondContact O-CB 3.46Å; Q118-A122 PolarHBondContact O-N 2.85Å; Q118-A122 VanDerWaalsContact O-N 3.13Å
119	A	89.6	Confident	85.1	Confident	33 Å²	33	93.3 Å²	93.3	27%	0.273	50%	0.495	S	S	.	.	H	α-helix	trans	-61.4	-42.4	-179.3	0	0	0	0	0	112.8	H114 N115	H114-A119 WeakPolarHBondContact CE1-CB 3.45Å; N115-A119 WeakPolarHBondContact O-CB 3.37Å; N115-A119 PolarHBondContact O-N 2.82Å
120	F	90.4	Very high	86.3	Confident	91 Å²	91	89 Å²	89	40%	0.399	47%	0.467	S	S	.	.	H	α-helix	trans	-76.1	-47.1	-179.5	-175.4	-115.4	0	0	0	112.3	L116 Q118 A122 M123 Q124 V130	L116-F120 WeakPolarHBondContact O-CB 3.49Å; L116-F120 PolarHBondContact O-N 2.87Å; Q118-F120 PolarHBondContact O-N 3.14Å; F120-A122 VanDerWaalsContact C-N 3.31Å; F120-A122 PolarHBondContact O-N 2.86Å; F120-M123 PolarHBondContact O-N 3.47Å; F120-Q124 HydrophobicContact CD1-CG 4.41Å; F120-Q124 HydrophobicContact CE1-CG 4.18Å; F120-Q124 VanDerWaalsContact CE2-NE2 3.31Å; F120-Q124 HydrophobicContact CZ-CG 4.39Å; F120-Q124 WeakPolarHBondContact O-CG 3.31Å; F120-V130 HydrophobicContact CD1-CG1 4.31Å; F120-V130 HydrophobicContact CE1-CG1 3.75Å
121	L	91.4	Very high	87.5	Confident	25 Å²	25	87.6 Å²	87.6	13%	0.131	46%	0.464	C	S	.	.	H	α-helix	trans	-67.7	-29.1	-175	-67.9	-179.6	0	0	0	113.2	Q117 M123 Q124 P127 V130 K131	Q117-L121 HydrophobicContact CG-CD1 3.56Å; Q117-L121 HydrophobicContact CG-CG 4.26Å; Q117-L121 VanDerWaalsContact O-CB 3.25Å; Q117-L121 WeakPolarHBondContact O-CB 3.3Å; Q117-L121 WeakPolarHBondContact O-CG 3.21Å; Q117-L121 PolarHBondContact O-N 2.66Å; L121-M123 PolarHBondContact O-N 2.79Å; L121-Q124 PolarHBondContact O-N 3.12Å; L121-Q124 VanDerWaalsContact O-N 3.15Å; L121-P127 HydrophobicContact CB-CB 4.25Å; L121-P127 HydrophobicContact CD2-CB 4.05Å; L121-V130 HydrophobicContact CD2-CB 4.26Å; L121-V130 HydrophobicContact CD2-CG1 3.95Å; L121-K131 HydrophobicContact CD1-CD 4.39Å; L121-K131 HydrophobicContact CD1-CG 4.23Å; L121-K131 HydrophobicContact CD2-CG 4.46Å
122	A	91.3	Very high	88.4	Confident	87 Å²	87	89.9 Å²	89.9	72%	0.719	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.8	175.7	0	0	0	0	0	113.3	Q118 F120	Q118-A122 VanDerWaalsContact O-CB 3.3Å; Q118-A122 WeakPolarHBondContact O-CB 3.46Å; Q118-A122 PolarHBondContact O-N 2.85Å; Q118-A122 VanDerWaalsContact O-N 3.13Å; F120-A122 VanDerWaalsContact C-N 3.31Å; F120-A122 PolarHBondContact O-N 2.86Å
123	M	90.4	Very high	89	Confident	156 Å²	156	81 Å²	81	77%	0.768	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-4.8	179.6	-57.2	-179.7	-175.2	0	0	113.3	F120 L121	F120-M123 PolarHBondContact O-N 3.47Å; L121-M123 PolarHBondContact O-N 2.79Å
124	Q	89.9	Confident	89.5	Confident	60 Å²	60	86.9 Å²	86.9	28%	0.28	44%	0.443	S	S	.	.			trans	-95	138.2	-175	-58	-54	-47.6	0	0	111.3	F120 L121 D126 P127 V130	F120-Q124 HydrophobicContact CD1-CG 4.41Å; F120-Q124 HydrophobicContact CE1-CG 4.18Å; F120-Q124 VanDerWaalsContact CE2-NE2 3.31Å; F120-Q124 HydrophobicContact CZ-CG 4.39Å; F120-Q124 WeakPolarHBondContact O-CG 3.31Å; L121-Q124 PolarHBondContact O-N 3.12Å; L121-Q124 VanDerWaalsContact O-N 3.15Å; Q124-D126 VanDerWaalsContact C-N 3.33Å; Q124-P127 HydrophobicContact CB-CG 4.46Å; Q124-V130 HydrophobicContact CB-CG2 4.46Å; Q124-V130 HydrophobicContact CG-CG2 4.22Å
125	S	88.8	Confident	90.1	Very high	130 Å²	130	84.1 Å²	84.1	91%	0.909	44%	0.44	S	S	*	.	S	Bend	trans	-67.7	-32.5	174.9	51	0	0	0	0	112.9
126	D	89.6	Confident	90.2	Very high	60 Å²	60	85.5 Å²	85.5	32%	0.321	44%	0.444	S	S	.	.			trans	-132.1	86.7	174.4	178.6	6.6	0	0	0	111.3	Q124 E128 S129 V130	Q124-D126 VanDerWaalsContact C-N 3.33Å; D126-E128 VanDerWaalsContact C-N 3.28Å; D126-E128 PolarHBondContact O-N 3.22Å; D126-E128 PolarHBondContact OD1-N 2.9Å; D126-S129 PolarHBondContact O-OG 2.93Å; D126-S129 PolarHBondContact OD1-N 2.77Å; D126-S129 VanDerWaalsContact OD1-N 3.12Å; D126-S129 WeakPolarHBondContact OD2-CB 3.31Å; D126-S129 PolarHBondContact OD2-OG 2.88Å; D126-V130 PolarHBondContact O-N 3.38Å
127	P	90.6	Very high	90.2	Very high	44 Å²	44	80.2 Å²	80.2	29%	0.286	42%	0.415	S	S	.	.	H	α-helix	trans	-62.5	-29.5	179.5	-26.9	37	0	0	0	114.6	L121 Q124 K131	L121-P127 HydrophobicContact CB-CB 4.25Å; L121-P127 HydrophobicContact CD2-CB 4.05Å; Q124-P127 HydrophobicContact CB-CG 4.46Å; P127-K131 WeakPolarHBondContact O-CG 3.33Å; P127-K131 PolarHBondContact O-N 3.28Å; P127-K131 VanDerWaalsContact O-N 3.13Å
128	E	91.3	Very high	90.4	Very high	99 Å²	99	80.3 Å²	80.3	46%	0.463	41%	0.412	S	S	.	.	H	α-helix	trans	-78.4	-34.2	-174.4	-71.4	-54	130.9	0	0	112.3	D126 K131 R132	D126-E128 VanDerWaalsContact C-N 3.28Å; D126-E128 PolarHBondContact O-N 3.22Å; D126-E128 PolarHBondContact OD1-N 2.9Å; E128-K131 IonicContact OE1-NZ 3.87Å; E128-K131 PolarHBondContact OE1-NZ 3.04Å; E128-K131 IonicContact OE2-NZ 3.39Å; E128-R132 WeakPolarHBondContact O-CG 3.23Å; E128-R132 PolarHBondContact O-N 3.46Å; E128-R132 VanDerWaalsContact O-N 3.15Å; E128-R132 PolarHBondContact O-NE 3.45Å
129	S	88.2	Confident	90.4	Very high	14 Å²	14	77.8 Å²	77.8	10%	0.098	40%	0.4	C	S	.	.	H	α-helix	trans	-68.4	-38.3	170.7	62.5	0	0	0	0	112.7	D126 K131 R132 Q133 Q281	D126-S129 PolarHBondContact O-OG 2.93Å; D126-S129 PolarHBondContact OD1-N 2.77Å; D126-S129 VanDerWaalsContact OD1-N 3.12Å; D126-S129 WeakPolarHBondContact OD2-CB 3.31Å; D126-S129 PolarHBondContact OD2-OG 2.88Å; S129-K131 VanDerWaalsContact C-N 3.32Å; S129-K131 PolarHBondContact O-N 3.15Å; S129-R132 PolarHBondContact O-N 3.43Å; S129-R132 VanDerWaalsContact O-N 3.15Å; S129-Q133 WeakPolarHBondContact O-CB 3.47Å; S129-Q133 PolarHBondContact O-N 2.87Å; S129-Q281 PolarHBondContact OG-NE2 3.14Å; S129-Q281 VanDerWaalsContact OG-NE2 3.12Å
130	V	90.1	Very high	90.2	Very high	23 Å²	23	78.1 Å²	78.1	14%	0.139	40%	0.396	C	S	.	.	H	α-helix	trans	-59.4	-42.4	174.8	171.1	0	0	0	0	111.4	F120 L121 Q124 D126 R134	F120-V130 HydrophobicContact CD1-CG1 4.31Å; F120-V130 HydrophobicContact CE1-CG1 3.75Å; L121-V130 HydrophobicContact CD2-CB 4.26Å; L121-V130 HydrophobicContact CD2-CG1 3.95Å; Q124-V130 HydrophobicContact CB-CG2 4.46Å; Q124-V130 HydrophobicContact CG-CG2 4.22Å; D126-V130 PolarHBondContact O-N 3.38Å; V130-R134 WeakPolarHBondContact O-CB 3.39Å; V130-R134 PolarHBondContact O-N 2.68Å
131	K	92.1	Very high	90.1	Very high	80 Å²	80	75.5 Å²	75.5	35%	0.348	39%	0.385	S	S	.	.	H	α-helix	trans	-61.2	-45.2	174.7	-74.4	175.3	-171.2	169.9	0	112	L121 P127 E128 S129 R134 A135	L121-K131 HydrophobicContact CD1-CD 4.39Å; L121-K131 HydrophobicContact CD1-CG 4.23Å; L121-K131 HydrophobicContact CD2-CG 4.46Å; P127-K131 WeakPolarHBondContact O-CG 3.33Å; P127-K131 PolarHBondContact O-N 3.28Å; P127-K131 VanDerWaalsContact O-N 3.13Å; E128-K131 IonicContact OE1-NZ 3.87Å; E128-K131 PolarHBondContact OE1-NZ 3.04Å; E128-K131 IonicContact OE2-NZ 3.39Å; S129-K131 VanDerWaalsContact C-N 3.32Å; S129-K131 PolarHBondContact O-N 3.15Å; K131-R134 PolarHBondContact O-N 3.5Å; K131-A135 WeakPolarHBondContact O-CB 3.28Å; K131-A135 PolarHBondContact O-N 2.83Å
132	R	90.7	Very high	89.9	Confident	150 Å²	150	77.4 Å²	77.4	57%	0.566	39%	0.394	S	S	*	.	H	α-helix	trans	-61.7	-49.4	178.1	-77	-179.5	-82.5	167.4	-4.9	111.5	E128 S129 R134 A135 E136	E128-R132 WeakPolarHBondContact O-CG 3.23Å; E128-R132 PolarHBondContact O-N 3.46Å; E128-R132 VanDerWaalsContact O-N 3.15Å; E128-R132 PolarHBondContact O-NE 3.45Å; S129-R132 PolarHBondContact O-N 3.43Å; S129-R132 VanDerWaalsContact O-N 3.15Å; R132-R134 PolarHBondContact O-N 3.13Å; R132-A135 WeakPolarHBondContact O-CB 3.44Å; R132-A135 PolarHBondContact O-N 2.89Å; R132-A135 VanDerWaalsContact O-N 3.08Å; R132-E136 WeakPolarHBondContact O-CG 3.15Å; R132-E136 PolarHBondContact O-N 2.87Å
133	Q	88.3	Confident	89.4	Confident	27 Å²	27	77.2 Å²	77.2	13%	0.126	38%	0.375	C	S	.	.	H	α-helix	trans	-58	-46	176.7	179.4	172.8	14.7	0	0	112	S129 A135 E136 E137 N278 G280	S129-Q133 WeakPolarHBondContact O-CB 3.47Å; S129-Q133 PolarHBondContact O-N 2.87Å; Q133-A135 VanDerWaalsContact C-N 3.28Å; Q133-A135 PolarHBondContact O-N 3.44Å; Q133-E136 PolarHBondContact O-N 2.93Å; Q133-E137 WeakPolarHBondContact O-CB 2.99Å; Q133-E137 PolarHBondContact O-N 3.26Å; Q133-N278 PolarHBondContact OE1-OD1 3.29Å; Q133-G280 PolarHBondContact NE2-O 3.43Å
134	R	92.7	Very high	89	Confident	164 Å²	164	72.4 Å²	72.4	62%	0.619	35%	0.348	S	S	*	.	H	α-helix	trans	-59.5	-40.5	176.2	-177.8	-178	176	-149.8	-0.9	111.7	V130 K131 R132 Y138 L276	V130-R134 WeakPolarHBondContact O-CB 3.39Å; V130-R134 PolarHBondContact O-N 2.68Å; K131-R134 PolarHBondContact O-N 3.5Å; R132-R134 PolarHBondContact O-N 3.13Å; R134-Y138 VanDerWaalsContact O-CB 3.29Å; R134-Y138 WeakPolarHBondContact O-CB 3.48Å; R134-Y138 PolarHBondContact O-N 2.77Å; R134-L276 HydrophobicContact CG-CD1 4.05Å
135	A	92.6	Very high	88.6	Confident	60 Å²	60	72.2 Å²	72.2	50%	0.496	35%	0.354	S	S	.	.	H	α-helix	trans	-67.8	-40.8	178	0	0	0	0	0	112	K131 R132 Q133 Y138 H139	K131-A135 WeakPolarHBondContact O-CB 3.28Å; K131-A135 PolarHBondContact O-N 2.83Å; R132-A135 WeakPolarHBondContact O-CB 3.44Å; R132-A135 PolarHBondContact O-N 2.89Å; R132-A135 VanDerWaalsContact O-N 3.08Å; Q133-A135 VanDerWaalsContact C-N 3.28Å; Q133-A135 PolarHBondContact O-N 3.44Å; A135-Y138 PolarHBondContact O-N 3.03Å; A135-H139 WeakPolarHBondContact O-CB 3.44Å; A135-H139 PolarHBondContact O-N 2.9Å
136	E	89.2	Confident	88	Confident	123 Å²	123	69.5 Å²	69.5	58%	0.575	33%	0.326	S	S	*	.	H	α-helix	trans	-63.4	-50.1	176.2	-73.2	169.7	-172.9	0	0	111.8	R132 Q133 Y138 H139 Q140	R132-E136 WeakPolarHBondContact O-CG 3.15Å; R132-E136 PolarHBondContact O-N 2.87Å; Q133-E136 PolarHBondContact O-N 2.93Å; E136-Y138 VanDerWaalsContact C-N 3.28Å; E136-Y138 PolarHBondContact O-N 2.89Å; E136-H139 PolarHBondContact O-N 3.18Å; E136-Q140 WeakPolarHBondContact O-CB 3.45Å; E136-Q140 WeakPolarHBondContact O-CG 3.21Å; E136-Q140 PolarHBondContact O-N 3.35Å
137	E	90.8	Very high	87.5	Confident	19 Å²	19	68.9 Å²	68.9	9%	0.089	33%	0.327	C	S	.	.	H	α-helix	trans	-58.6	-40.3	175.3	-79.3	-68.4	146.6	0	0	111.7	Q133 Q140 F141 L276 K362	Q133-E137 WeakPolarHBondContact O-CB 2.99Å; Q133-E137 PolarHBondContact O-N 3.26Å; E137-Q140 WeakPolarHBondContact O-CB 3.35Å; E137-F141 PolarHBondContact O-N 2.94Å; E137-L276 HydrophobicContact CB-CB 4.22Å; E137-L276 HydrophobicContact CB-CD2 4.13Å; E137-K362 VanDerWaalsContact CD-NZ 3.35Å; E137-K362 IonicContact OE1-NZ 2.7Å; E137-K362 PolarHBondContact OE1-NZ 3.15Å; E137-K362 IonicContact OE2-NZ 2.96Å; E137-K362 PolarHBondContact OE2-NZ 3.31Å
138	Y	91.8	Very high	87	Confident	107 Å²	107	70.5 Å²	70.5	42%	0.42	34%	0.338	S	S	.	.	H	α-helix	trans	-67.5	-42.1	176.3	-175.3	-120.1	0	0	0	112.4	R134 A135 E136 Q140 F141 L142 P274	R134-Y138 VanDerWaalsContact O-CB 3.29Å; R134-Y138 WeakPolarHBondContact O-CB 3.48Å; R134-Y138 PolarHBondContact O-N 2.77Å; A135-Y138 PolarHBondContact O-N 3.03Å; E136-Y138 VanDerWaalsContact C-N 3.28Å; E136-Y138 PolarHBondContact O-N 2.89Å; Y138-Q140 VanDerWaalsContact C-N 3.33Å; Y138-Q140 PolarHBondContact O-N 2.86Å; Y138-F141 HydrophobicContact CD2-CD1 4.21Å; Y138-F141 HydrophobicContact CE2-CD1 4.11Å; Y138-F141 WeakPolarHBondContact O-CB 2.77Å; Y138-F141 PolarHBondContact O-N 3.18Å; Y138-L142 HydrophobicContact CD1-CD1 4.04Å; Y138-L142 HydrophobicContact CD1-CG 4.48Å; Y138-L142 HydrophobicContact CE1-CD1 3.64Å; Y138-L142 HydrophobicContact CE1-CD2 4.5Å; Y138-L142 HydrophobicContact CE1-CG 4.14Å; Y138-L142 HydrophobicContact CE2-CD2 4.35Å; Y138-L142 HydrophobicContact CE2-CG 4.33Å; Y138-L142 WeakPolarHBondContact O-CG 3.42Å; Y138-L142 PolarHBondContact O-N 3.47Å; Y138-P274 HydrophobicContact CD2-CB 4.19Å; Y138-P274 HydrophobicContact CD2-CG 4.15Å; Y138-P274 HydrophobicContact CE2-CB 4.31Å; Y138-P274 HydrophobicContact CE2-CG 4.04Å
139	H	88.6	Confident	86.4	Confident	82 Å²	82	67.8 Å²	67.8	38%	0.38	33%	0.332	S	S	.	.	H	α-helix	trans	-62.9	-41.4	176.7	-176.3	69.7	0	0	0	111.9	A135 E136 L142 R143	A135-H139 WeakPolarHBondContact O-CB 3.44Å; A135-H139 PolarHBondContact O-N 2.9Å; E136-H139 PolarHBondContact O-N 3.18Å; H139-L142 PolarHBondContact O-N 3.4Å; H139-R143 PolarHBondContact NE2-NE 2.95Å; H139-R143 VanDerWaalsContact NE2-NE 3.13Å; H139-R143 PolarHBondContact NE2-NH2 2.86Å; H139-R143 VanDerWaalsContact NE2-NH2 3.19Å; H139-R143 WeakPolarHBondContact O-CG 3.42Å; H139-R143 PolarHBondContact O-N 2.85Å
140	Q	85.8	Confident	86.2	Confident	40 Å²	40	69.3 Å²	69.3	19%	0.187	34%	0.339	C	S	.	.	H	α-helix	trans	-60.5	-43.6	171.9	-77.4	-169.9	1.3	0	0	112.5	E136 E137 Y138 L142 R143 R144 E387	E136-Q140 WeakPolarHBondContact O-CB 3.45Å; E136-Q140 WeakPolarHBondContact O-CG 3.21Å; E136-Q140 PolarHBondContact O-N 3.35Å; E137-Q140 WeakPolarHBondContact O-CB 3.35Å; Y138-Q140 VanDerWaalsContact C-N 3.33Å; Y138-Q140 PolarHBondContact O-N 2.86Å; Q140-L142 VanDerWaalsContact C-N 3.35Å; Q140-R143 PolarHBondContact O-N 3.42Å; Q140-R144 VanDerWaalsContact C-CZ 3.49Å; Q140-R144 PolarHBondContact O-N 3.45Å; Q140-R144 PolarHBondContact O-NE 2.82Å; Q140-R144 PolarHBondContact O-NH1 2.68Å; Q140-E387 PolarHBondContact NE2-OE2 2.99Å; Q140-E387 PolarHBondContact OE1-OE2 2.92Å
141	F	88.7	Confident	86	Confident	36 Å²	36	71 Å²	71	16%	0.158	35%	0.346	C	S	.	.	H	α-helix	trans	-59.5	-44.8	174	166.9	-92.5	0	0	0	111.5	E137 Y138 R143 R144 S145 V272 P274 L276	E137-F141 PolarHBondContact O-N 2.94Å; Y138-F141 HydrophobicContact CD2-CD1 4.21Å; Y138-F141 HydrophobicContact CE2-CD1 4.11Å; Y138-F141 WeakPolarHBondContact O-CB 2.77Å; Y138-F141 PolarHBondContact O-N 3.18Å; F141-R143 PolarHBondContact O-N 2.88Å; F141-R144 PolarHBondContact O-N 3.23Å; F141-R144 VanDerWaalsContact O-N 3.17Å; F141-S145 WeakPolarHBondContact O-CB 3.38Å; F141-S145 PolarHBondContact O-N 2.88Å; F141-S145 PolarHBondContact O-OG 3.1Å; F141-V272 HydrophobicContact CE2-CG1 4.26Å; F141-V272 HydrophobicContact CZ-CB 4.21Å; F141-V272 HydrophobicContact CZ-CG1 3.96Å; F141-P274 HydrophobicContact CD1-CB 3.87Å; F141-P274 HydrophobicContact CD2-CB 4.22Å; F141-P274 HydrophobicContact CE1-CB 3.9Å; F141-P274 HydrophobicContact CE2-CB 4.24Å; F141-P274 HydrophobicContact CG-CB 4.04Å; F141-P274 HydrophobicContact CZ-CB 4.09Å; F141-L276 HydrophobicContact CB-CD2 4.22Å
142	L	85.8	Confident	85.9	Confident	64 Å²	64	69.4 Å²	69.4	34%	0.335	34%	0.341	S	S	.	.	H	α-helix	trans	-59.6	-46	177.2	-71.8	176.4	0	0	0	111.9	Y138 H139 Q140 R144 S145 H146	Y138-L142 HydrophobicContact CD1-CD1 4.04Å; Y138-L142 HydrophobicContact CD1-CG 4.48Å; Y138-L142 HydrophobicContact CE1-CD1 3.64Å; Y138-L142 HydrophobicContact CE1-CD2 4.5Å; Y138-L142 HydrophobicContact CE1-CG 4.14Å; Y138-L142 HydrophobicContact CE2-CD2 4.35Å; Y138-L142 HydrophobicContact CE2-CG 4.33Å; Y138-L142 WeakPolarHBondContact O-CG 3.42Å; Y138-L142 PolarHBondContact O-N 3.47Å; H139-L142 PolarHBondContact O-N 3.4Å; Q140-L142 VanDerWaalsContact C-N 3.35Å; L142-R144 PolarHBondContact O-N 3.17Å; L142-R144 VanDerWaalsContact O-N 3.09Å; L142-S145 PolarHBondContact O-N 3.35Å; L142-S145 PolarHBondContact O-OG 2.91Å; L142-H146 WeakPolarHBondContact O-CB 3.5Å; L142-H146 PolarHBondContact O-N 3.31Å
143	R	80.9	Confident	85.9	Confident	83 Å²	83	64.2 Å²	64.2	31%	0.313	33%	0.326	S	S	.	.	H	α-helix	trans	-57.7	-22.4	176.9	-75.9	-179.9	176	176.1	-0.8	114.9	Q49 H139 Q140 F141	Q49-R143 WeakPolarHBondContact CB-O 3.36Å; Q49-R143 PolarHBondContact OE1-O 2.95Å; H139-R143 PolarHBondContact NE2-NE 2.95Å; H139-R143 VanDerWaalsContact NE2-NE 3.13Å; H139-R143 PolarHBondContact NE2-NH2 2.86Å; H139-R143 VanDerWaalsContact NE2-NH2 3.19Å; H139-R143 WeakPolarHBondContact O-CG 3.42Å; H139-R143 PolarHBondContact O-N 2.85Å; Q140-R143 PolarHBondContact O-N 3.42Å; F141-R143 PolarHBondContact O-N 2.88Å
144	R	82.7	Confident	86	Confident	56 Å²	56	63.6 Å²	63.6	21%	0.211	32%	0.323	C	S	.	.	H	α-helix	trans	-99.3	-39.4	179.9	-66.3	-177.9	-68.8	-96.3	0.4	112.4	Q140 F141 L142 R453	Q140-R144 VanDerWaalsContact C-CZ 3.49Å; Q140-R144 PolarHBondContact O-N 3.45Å; Q140-R144 PolarHBondContact O-NE 2.82Å; Q140-R144 PolarHBondContact O-NH1 2.68Å; F141-R144 PolarHBondContact O-N 3.23Å; F141-R144 VanDerWaalsContact O-N 3.17Å; L142-R144 PolarHBondContact O-N 3.17Å; L142-R144 VanDerWaalsContact O-N 3.09Å; R144-R453 VanDerWaalsContact NE-CZ 3.31Å
145	S	80.8	Confident	85.8	Confident	56 Å²	56	57 Å²	57	39%	0.392	30%	0.303	S	S	.	.	H	α-helix	trans	-80.4	-24.7	-174.9	64	0	0	0	0	113.7	F141 L142	F141-S145 WeakPolarHBondContact O-CB 3.38Å; F141-S145 PolarHBondContact O-N 2.88Å; F141-S145 PolarHBondContact O-OG 3.1Å; L142-S145 PolarHBondContact O-N 3.35Å; L142-S145 PolarHBondContact O-OG 2.91Å
146	H	76.3	Confident	85.2	Confident	72 Å²	72	58.1 Å²	58.1	33%	0.333	30%	0.299	S	S	.	.			trans	-77.1	129.9	-172.2	-172.7	-98.4	0	0	0	110.7	Q49 L142 M151	Q49-H146 VanDerWaalsContact CD-O 3.31Å; Q49-H146 PolarHBondContact NE2-O 3.49Å; Q49-H146 PolarHBondContact OE1-O 3.01Å; Q49-H146 VanDerWaalsContact OE1-O 3.08Å; L142-H146 WeakPolarHBondContact O-CB 3.5Å; L142-H146 PolarHBondContact O-N 3.31Å; H146-M151 PolarHBondContact CE1-SD 2.79Å; H146-M151 PolarHBondContact NE2-SD 2.83Å
147	S	78.7	Confident	83.8	Confident	47 Å²	47	55.3 Å²	55.3	33%	0.329	30%	0.297	S	S	.	.			trans	-111.2	139.4	175.7	177.7	0	0	0	0	110.1	A149 D150	S147-A149 PolarHBondContact O-N 3.47Å; S147-A149 VanDerWaalsContact O-N 3.07Å; S147-A149 WeakPolarHBondContact OG-CB 3.33Å; S147-A149 PolarHBondContact OG-N 3.03Å; S147-D150 WeakPolarHBondContact O-CB 3.49Å; S147-D150 PolarHBondContact O-N 3.37Å
148	P	80	Confident	82.8	Confident	79 Å²	79	62.9 Å²	62.9	51%	0.513	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-53.7	-25.7	168.5	-25.6	35.6	0	0	0	113.3	D150 M151 Q166	P148-D150 PolarHBondContact O-N 3.42Å; P148-M151 PolarHBondContact O-N 2.67Å; P148-Q166 PolarHBondContact O-NE2 3Å
149	A	80.5	Confident	82	Confident	42 Å²	42	59.6 Å²	59.6	35%	0.347	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-70.2	-6.8	175.8	0	0	0	0	0	114.3	S147 Q166 K267	S147-A149 PolarHBondContact O-N 3.47Å; S147-A149 VanDerWaalsContact O-N 3.07Å; S147-A149 WeakPolarHBondContact OG-CB 3.33Å; S147-A149 PolarHBondContact OG-N 3.03Å; A149-Q166 VanDerWaalsContact C-NE2 3.26Å; A149-Q166 VanDerWaalsContact O-CD 3.25Å; A149-Q166 VanDerWaalsContact O-CG 3.31Å; A149-Q166 WeakPolarHBondContact O-CG 3.26Å; A149-Q166 PolarHBondContact O-NE2 3.07Å; A149-K267 PolarHBondContact O-NZ 3.19Å
150	D	83	Confident	82.1	Confident	45 Å²	45	56.5 Å²	56.5	24%	0.241	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-100.9	-3.7	175.8	-72.1	-32.1	0	0	0	113.4	S147 P148 G167 K169 K267	S147-D150 WeakPolarHBondContact O-CB 3.49Å; S147-D150 PolarHBondContact O-N 3.37Å; P148-D150 PolarHBondContact O-N 3.42Å; D150-G167 WeakPolarHBondContact O-CA 3.46Å; D150-K169 VanDerWaalsContact CG-CE 3.43Å; D150-K169 WeakPolarHBondContact OD1-CE 3.24Å; D150-K169 IonicContact OD1-NZ 2.68Å; D150-K169 PolarHBondContact OD1-NZ 2.96Å; D150-K169 IonicContact OD2-NZ 3.07Å; D150-K169 PolarHBondContact OD2-NZ 3.39Å; D150-K267 IonicContact OD1-NZ 3.23Å; D150-K267 PolarHBondContact OD1-NZ 3.17Å
151	M	85.6	Confident	82.5	Confident	59 Å²	59	54.6 Å²	54.6	29%	0.291	31%	0.305	S	S	.	.	S	Bend	trans	-72.9	141.6	177.9	-59.3	-42.1	-76.9	0	0	111.8	H146 P148 V153 Q166 G167	H146-M151 PolarHBondContact CE1-SD 2.79Å; H146-M151 PolarHBondContact NE2-SD 2.83Å; P148-M151 PolarHBondContact O-N 2.67Å; M151-V153 PolarHBondContact O-N 2.82Å; M151-Q166 CarbonylContact O-C 3.54Å; M151-Q166 PolarHBondContact O-NE2 3.14Å; M151-G167 WeakPolarHBondContact O-CA 3.46Å
152	L	89.9	Confident	82.8	Confident	47 Å²	47	53.3 Å²	53.3	25%	0.246	30%	0.3	C	S	.	.			trans	-65.9	120.6	172	179.9	62.4	0	0	0	109.3	I154 P164 Q166 V168 P179	L152-I154 HydrophobicContact CD1-CG1 4.29Å; L152-I154 HydrophobicContact CD2-CD1 4.34Å; L152-I154 HydrophobicContact CG-CD1 4.49Å; L152-I154 HydrophobicContact CG-CG1 4.29Å; L152-P164 HydrophobicContact CD1-CB 3.89Å; L152-Q166 WeakPolarHBondContact CA-O 3.05Å; L152-Q166 WeakPolarHBondContact CD1-O 3.29Å; L152-V168 HydrophobicContact CD1-CG2 4.32Å; L152-P179 HydrophobicContact CD1-CB 4.33Å; L152-P179 HydrophobicContact CD1-CG 3.62Å; L152-P179 HydrophobicContact CD2-CB 3.94Å; L152-P179 HydrophobicContact CD2-CG 4Å; L152-P179 HydrophobicContact CG-CG 4.49Å
153	V	91.1	Very high	83.2	Confident	40 Å²	40	52 Å²	52	24%	0.242	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.4	172.3	-176.9	0	0	0	0	107.2	M151 P164 T165 Q166	M151-V153 PolarHBondContact O-N 2.82Å; V153-P164 CarbonylContact O-C 3.59Å; V153-P164 VanDerWaalsContact O-CA 3.3Å; V153-P164 WeakPolarHBondContact O-CA 3.29Å; V153-T165 WeakPolarHBondContact CG1-OG1 3.4Å; V153-T165 PolarHBondContact O-N 3Å; V153-T165 PolarHBondContact O-OG1 3.23Å; V153-Q166 HydrophobicContact CB-CB 4.12Å; V153-Q166 HydrophobicContact CG2-CB 4.25Å; V153-Q166 PolarHBondContact N-O 3.18Å; V153-Q166 VanDerWaalsContact N-O 3.16Å; V153-Q166 PolarHBondContact O-N 3.3Å
154	I	91.1	Very high	83.8	Confident	15 Å²	15	48 Å²	48	8%	0.077	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.8	-179.8	-61.3	166.7	0	0	0	107.8	I66 L152 Q162	I66-I154 HydrophobicContact CD1-CB 4.14Å; I66-I154 HydrophobicContact CD1-CD1 4.27Å; I66-I154 HydrophobicContact CD1-CG2 3.95Å; I66-I154 HydrophobicContact CG2-CD1 4.4Å; L152-I154 HydrophobicContact CD1-CG1 4.29Å; L152-I154 HydrophobicContact CD2-CD1 4.34Å; L152-I154 HydrophobicContact CG-CD1 4.49Å; L152-I154 HydrophobicContact CG-CG1 4.29Å; I154-Q162 HydrophobicContact CG2-CG 3.83Å
155	A	88.8	Confident	84.2	Confident	24 Å²	24	48.2 Å²	48.2	20%	0.198	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	132.2	173.2	0	0	0	0	0	110.4	Q162 Y163 T165	A155-Q162 WeakPolarHBondContact O-CA 3.43Å; A155-Q162 WeakPolarHBondContact O-CG 3.33Å; A155-Y163 HydrophobicContact CB-CE1 4.22Å; A155-Y163 HydrophobicContact CB-CE2 4.46Å; A155-Y163 PolarHBondContact N-O 2.67Å; A155-T165 HydrophobicContact CB-CG2 3.58Å
156	E	79.4	Confident	84.7	Confident	85 Å²	85	48.6 Å²	48.6	40%	0.397	28%	0.279	S	S	.	.			trans	-104.3	-179	173	-74	-175	171	0	0	111.8	K62 I66 D158	K62-E156 WeakPolarHBondContact CE-OE1 3.18Å; K62-E156 WeakPolarHBondContact CE-OE2 3.41Å; K62-E156 IonicContact NZ-OE1 3.75Å; K62-E156 PolarHBondContact NZ-OE1 2.78Å; K62-E156 IonicContact NZ-OE2 2.56Å; K62-E156 PolarHBondContact NZ-OE2 2.77Å; I66-E156 HydrophobicContact CD1-CG 4.24Å; I66-E156 WeakPolarHBondContact CD1-OE1 3.31Å; E156-D158 VanDerWaalsContact C-N 3.29Å; E156-D158 PolarHBondContact O-N 3.07Å
157	A	60.4	Low	85.4	Confident	64 Å²	64	46 Å²	46	53%	0.529	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	41	-148.5	0	0	0	0	0	118.7	N159 R184	A157-N159 WeakPolarHBondContact CA-O 3.24Å; A157-R184 HydrophobicContact CB-CB 4Å; A157-R184 HydrophobicContact CB-CG 4.06Å
158	D	68.3	Low	86.2	Confident	177 Å²	177	44 Å²	44	95%	0.947	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-21.7	158.8	-67.4	-32.7	0	0	0	111	E156	E156-D158 VanDerWaalsContact C-N 3.29Å; E156-D158 PolarHBondContact O-N 3.07Å
159	N	76.4	Confident	86.8	Confident	38 Å²	38	45.2 Å²	45.2	20%	0.203	26%	0.255	C	S	.	.	S	Bend	trans	-116.2	140.2	167.8	-175.4	-37	0	0	0	107.5	A157 L161 S262	A157-N159 WeakPolarHBondContact CA-O 3.24Å; N159-L161 PolarHBondContact O-N 3.11Å; N159-L161 WeakPolarHBondContact OD1-CB 3.32Å; N159-L161 PolarHBondContact OD1-N 2.9Å; N159-S262 PolarHBondContact ND2-OG 2.76Å
160	P	90.4	Very high	87.5	Confident	17 Å²	17	43.5 Å²	43.5	11%	0.11	24%	0.24	C	C	.	.	S	Bend	trans	-59.5	-16.8	175.9	24.3	-35.7	0	0	0	113.3	L183 R184 L185 T257 H260	P160-L183 HydrophobicContact CB-CD1 4.32Å; P160-L183 CarbonylContact O-C 3.56Å; P160-L183 WeakPolarHBondContact O-CA 3.48Å; P160-R184 WeakPolarHBondContact CA-O 3.35Å; P160-R184 WeakPolarHBondContact CB-O 3.46Å; P160-R184 PolarHBondContact O-N 3.31Å; P160-L185 HydrophobicContact CB-CB 4.36Å; P160-L185 HydrophobicContact CB-CD1 3.72Å; P160-L185 HydrophobicContact CG-CD1 4.21Å; P160-T257 HydrophobicContact CG-CG2 4.47Å; P160-H260 VanDerWaalsContact CD-CD2 3.45Å; P160-H260 WeakPolarHBondContact CD-CD2 3.4Å; P160-H260 HydrophobicContact CG-CB 3.86Å; P160-H260 VanDerWaalsContact CG-CD2 3.42Å; P160-H260 WeakPolarHBondContact CG-CD2 3.37Å
161	L	93.8	Very high	88	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121	174.8	-60.1	172.6	0	0	0	110.5	N159 Y163 L183 F255 T257 H260	N159-L161 PolarHBondContact O-N 3.11Å; N159-L161 WeakPolarHBondContact OD1-CB 3.32Å; N159-L161 PolarHBondContact OD1-N 2.9Å; L161-Y163 HydrophobicContact CB-CD1 4.02Å; L161-Y163 HydrophobicContact CB-CE1 4.29Å; L161-Y163 WeakPolarHBondContact O-CD1 3.3Å; L161-Y163 VanDerWaalsContact O-CE1 3.29Å; L161-Y163 WeakPolarHBondContact O-CE1 3.25Å; L161-L183 HydrophobicContact CD2-CD1 4.1Å; L161-F255 HydrophobicContact CB-CD1 3.74Å; L161-F255 HydrophobicContact CB-CE1 3.78Å; L161-F255 HydrophobicContact CD1-CD1 4.18Å; L161-F255 HydrophobicContact CD1-CG 4.36Å; L161-F255 VanDerWaalsContact CD1-O 3.25Å; L161-F255 WeakPolarHBondContact CD1-O 3.48Å; L161-F255 HydrophobicContact CD2-CD1 3.81Å; L161-F255 HydrophobicContact CD2-CD2 4.36Å; L161-F255 HydrophobicContact CD2-CE1 3.55Å; L161-F255 HydrophobicContact CD2-CE2 4.18Å; L161-F255 HydrophobicContact CD2-CG 4.21Å; L161-F255 HydrophobicContact CD2-CZ 3.76Å; L161-F255 HydrophobicContact CG-CD1 4.12Å; L161-F255 HydrophobicContact CG-CE1 4.19Å; L161-T257 HydrophobicContact CD2-CG2 3.7Å; L161-T257 HydrophobicContact CG-CG2 4.1Å; L161-H260 HydrophobicContact CD1-CB 4.39Å
162	Q	93.9	Very high	88.4	Confident	10 Å²	10	43.3 Å²	43.3	5%	0.047	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.6	168.7	-167.5	-166.5	-87.4	0	0	108.5	I154 A155 G180 L181 G182 F255	I154-Q162 HydrophobicContact CG2-CG 3.83Å; A155-Q162 WeakPolarHBondContact O-CA 3.43Å; A155-Q162 WeakPolarHBondContact O-CG 3.33Å; Q162-G180 CarbonylContact C-O 3.51Å; Q162-G180 WeakPolarHBondContact CG-O 3.29Å; Q162-G180 PolarHBondContact NE2-O 3.01Å; Q162-L181 CarbonylContact O-C 3.37Å; Q162-L181 WeakPolarHBondContact O-CA 3.47Å; Q162-G182 PolarHBondContact N-O 3.16Å; Q162-G182 PolarHBondContact O-N 3.17Å; Q162-F255 WeakPolarHBondContact O-CE1 3.39Å
163	Y	94.2	Very high	88.6	Confident	36 Å²	36	45.8 Å²	45.8	14%	0.141	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	157.4	-174.2	56.9	-83.5	0	0	0	111.2	A155 L161 T165 F255 S262 F264	A155-Y163 HydrophobicContact CB-CE1 4.22Å; A155-Y163 HydrophobicContact CB-CE2 4.46Å; A155-Y163 PolarHBondContact N-O 2.67Å; L161-Y163 HydrophobicContact CB-CD1 4.02Å; L161-Y163 HydrophobicContact CB-CE1 4.29Å; L161-Y163 WeakPolarHBondContact O-CD1 3.3Å; L161-Y163 VanDerWaalsContact O-CE1 3.29Å; L161-Y163 WeakPolarHBondContact O-CE1 3.25Å; Y163-T165 HydrophobicContact CD2-CG2 4.21Å; Y163-T165 HydrophobicContact CE2-CG2 3.76Å; Y163-T165 PolarHBondContact O-N 2.93Å; Y163-F255 HydrophobicContact CD1-CD1 4.3Å; Y163-F255 HydrophobicContact CG-CD1 4.48Å; Y163-S262 WeakPolarHBondContact CE1-OG 3.34Å; Y163-S262 VanDerWaalsContact CZ-CB 3.43Å; Y163-F264 HydrophobicContact CD2-CB 4.02Å; Y163-F264 HydrophobicContact CD2-CD1 4.1Å; Y163-F264 HydrophobicContact CD2-CG 4.43Å; Y163-F264 HydrophobicContact CG-CD1 4.39Å
164	P	94.4	Very high	88.8	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	121.2	177.7	31.1	-32.1	0	0	0	109.5	L152 V153 V168 I178 P179 F264	L152-P164 HydrophobicContact CD1-CB 3.89Å; V153-P164 CarbonylContact O-C 3.59Å; V153-P164 VanDerWaalsContact O-CA 3.3Å; V153-P164 WeakPolarHBondContact O-CA 3.29Å; P164-V168 HydrophobicContact CB-CG2 3.44Å; P164-V168 VanDerWaalsContact CB-CG2 3.44Å; P164-V168 HydrophobicContact CG-CG2 3.47Å; P164-V168 VanDerWaalsContact CG-CG2 3.47Å; P164-I178 HydrophobicContact CG-CG2 4Å; P164-P179 HydrophobicContact CB-CG 4.4Å; P164-P179 VanDerWaalsContact CD-O 3.24Å; P164-P179 WeakPolarHBondContact CD-O 3.31Å; P164-P179 VanDerWaalsContact CG-O 3.31Å; P164-P179 WeakPolarHBondContact CG-O 3.44Å; P164-F264 HydrophobicContact CG-CD2 3.99Å; P164-F264 HydrophobicContact CG-CE2 4.12Å; P164-F264 HydrophobicContact CG-CG 4.43Å; P164-F264 WeakPolarHBondContact O-CB 3.47Å
165	T	91.9	Very high	89	Confident	60 Å²	60	48.9 Å²	48.9	37%	0.368	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-21.4	177.5	50.8	0	0	0	0	112.5	V153 A155 Y163	V153-T165 WeakPolarHBondContact CG1-OG1 3.4Å; V153-T165 PolarHBondContact O-N 3Å; V153-T165 PolarHBondContact O-OG1 3.23Å; A155-T165 HydrophobicContact CB-CG2 3.58Å; Y163-T165 HydrophobicContact CD2-CG2 4.21Å; Y163-T165 HydrophobicContact CE2-CG2 3.76Å; Y163-T165 PolarHBondContact O-N 2.93Å
166	Q	91.3	Very high	89.4	Confident	64 Å²	64	48.9 Å²	48.9	30%	0.299	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	158.8	-176.4	-163.5	-172	-92.9	0	0	110.8	P148 A149 M151 L152 V153 V168	P148-Q166 PolarHBondContact O-NE2 3Å; A149-Q166 VanDerWaalsContact C-NE2 3.26Å; A149-Q166 VanDerWaalsContact O-CD 3.25Å; A149-Q166 VanDerWaalsContact O-CG 3.31Å; A149-Q166 WeakPolarHBondContact O-CG 3.26Å; A149-Q166 PolarHBondContact O-NE2 3.07Å; M151-Q166 CarbonylContact O-C 3.54Å; M151-Q166 PolarHBondContact O-NE2 3.14Å; L152-Q166 WeakPolarHBondContact CA-O 3.05Å; L152-Q166 WeakPolarHBondContact CD1-O 3.29Å; V153-Q166 HydrophobicContact CB-CB 4.12Å; V153-Q166 HydrophobicContact CG2-CB 4.25Å; V153-Q166 PolarHBondContact N-O 3.18Å; V153-Q166 VanDerWaalsContact N-O 3.16Å; V153-Q166 PolarHBondContact O-N 3.3Å; Q166-V168 PolarHBondContact O-N 2.74Å
167	G	90.5	Very high	90.2	Very high	18 Å²	18	48.1 Å²	48.1	19%	0.186	26%	0.255	C	S	.	.			trans	88.2	0	163.1	0	0	0	0	0	115.6	D150 M151 K169	D150-G167 WeakPolarHBondContact O-CA 3.46Å; M151-G167 WeakPolarHBondContact O-CA 3.46Å; G167-K169 PolarHBondContact O-N 2.83Å
168	V	94.6	Very high	92	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.03	23%	0.23	C	C	.	.			trans	-76.9	122.8	173.5	-167.1	0	0	0	0	109.6	L152 P164 Q166 I176 P179 I266 K267	L152-V168 HydrophobicContact CD1-CG2 4.32Å; P164-V168 HydrophobicContact CB-CG2 3.44Å; P164-V168 VanDerWaalsContact CB-CG2 3.44Å; P164-V168 HydrophobicContact CG-CG2 3.47Å; P164-V168 VanDerWaalsContact CG-CG2 3.47Å; Q166-V168 PolarHBondContact O-N 2.74Å; V168-I176 HydrophobicContact CG1-CD1 3.41Å; V168-I176 VanDerWaalsContact CG1-CD1 3.41Å; V168-P179 HydrophobicContact CG2-CG 4.11Å; V168-I266 HydrophobicContact CB-CG1 4.35Å; V168-I266 HydrophobicContact CG1-CB 4.45Å; V168-I266 HydrophobicContact CG1-CG1 3.98Å; V168-I266 HydrophobicContact CG1-CG2 4.11Å; V168-K267 PolarHBondContact O-N 2.67Å
169	K	93.8	Very high	93.2	Very high	103 Å²	103	37.9 Å²	37.9	45%	0.448	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	141.9	-179.4	-63.3	-175.8	175.9	-174	0	110.6	D150 G167 K267	D150-K169 VanDerWaalsContact CG-CE 3.43Å; D150-K169 WeakPolarHBondContact OD1-CE 3.24Å; D150-K169 IonicContact OD1-NZ 2.68Å; D150-K169 PolarHBondContact OD1-NZ 2.96Å; D150-K169 IonicContact OD2-NZ 3.07Å; D150-K169 PolarHBondContact OD2-NZ 3.39Å; G167-K169 PolarHBondContact O-N 2.83Å; K169-K267 CarbonylContact C-O 3.56Å; K169-K267 VanDerWaalsContact CA-O 3.29Å; K169-K267 WeakPolarHBondContact CA-O 3.35Å; K169-K267 HydrophobicContact CG-CB 4.18Å
170	V	94.1	Very high	94	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.036	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	141.9	174.1	64.4	0	0	0	0	109.9	K174 I176 Y240 N242 I266 K267 V268 G269	V170-K174 HydrophobicContact CG2-CB 4.18Å; V170-K174 WeakPolarHBondContact CG2-O 3.37Å; V170-I176 HydrophobicContact CB-CD1 3.99Å; V170-I176 HydrophobicContact CB-CG1 4.05Å; V170-I176 HydrophobicContact CB-CG2 3.99Å; V170-I176 HydrophobicContact CG2-CB 4.48Å; V170-I176 HydrophobicContact CG2-CG1 4.1Å; V170-I176 HydrophobicContact CG2-CG2 3.75Å; V170-Y240 HydrophobicContact CG1-CD1 4.13Å; V170-Y240 HydrophobicContact CG1-CE1 3.83Å; V170-N242 HydrophobicContact CG1-CB 4.35Å; V170-I266 HydrophobicContact CB-CG2 4.34Å; V170-I266 HydrophobicContact CG1-CG2 3.6Å; V170-K267 PolarHBondContact N-O 3.47Å; V170-V268 HydrophobicContact CG1-CB 4.37Å; V170-V268 HydrophobicContact CG1-CG2 3.8Å; V170-V268 WeakPolarHBondContact O-CA 3.48Å; V170-G269 PolarHBondContact O-N 3.41Å
171	Q	93.4	Very high	94.2	Very high	92 Å²	92	36 Å²	36	43%	0.43	18%	0.184	S	C	.	.			trans	-71.6	151.8	171.8	-70.7	-178.4	-5.2	0	0	110.1	L173 K174	Q171-L173 PolarHBondContact O-N 3.39Å; Q171-K174 HydrophobicContact CB-CB 4.03Å; Q171-K174 HydrophobicContact CB-CG 3.68Å; Q171-K174 WeakPolarHBondContact O-CB 3.43Å; Q171-K174 PolarHBondContact O-N 3Å; Q171-K174 VanDerWaalsContact O-N 3.1Å
172	P	94.3	Very high	94.2	Very high	9 Å²	9	36.1 Å²	36.1	6%	0.058	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	135.6	173.9	-26.3	35.9	0	0	0	111.4	K174 N242 F245 H246 V268	P172-K174 PolarHBondContact O-N 3.29Å; P172-N242 WeakPolarHBondContact CA-OD1 3.35Å; P172-F245 HydrophobicContact CB-CD2 3.57Å; P172-F245 HydrophobicContact CB-CE2 3.95Å; P172-F245 HydrophobicContact CB-CG 4.34Å; P172-F245 HydrophobicContact CG-CD2 4.37Å; P172-F245 HydrophobicContact CG-CE2 4.34Å; P172-H246 WeakPolarHBondContact CG-O 3.12Å; P172-V268 HydrophobicContact CG-CG1 4.26Å
173	L	94.3	Very high	94.2	Very high	98 Å²	98	35.6 Å²	35.6	51%	0.513	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	19.9	179.8	-47.7	178.9	0	0	0	115.1	Q171 N242 F245	Q171-L173 PolarHBondContact O-N 3.39Å; L173-N242 WeakPolarHBondContact CA-O 3.31Å; L173-N242 PolarHBondContact N-OD1 2.87Å; L173-F245 HydrophobicContact CD1-CB 4.38Å; L173-F245 HydrophobicContact CD1-CD2 4.4Å; L173-F245 HydrophobicContact CG-CB 4.39Å
174	K	95.1	Very high	94.1	Very high	115 Å²	115	38.6 Å²	38.6	50%	0.5	19%	0.194	S	C	.	.			trans	-110.8	165.6	175.7	-62.7	-58.4	-174.3	179.4	0	112	V170 Q171 P172 N242	V170-K174 HydrophobicContact CG2-CB 4.18Å; V170-K174 WeakPolarHBondContact CG2-O 3.37Å; Q171-K174 HydrophobicContact CB-CB 4.03Å; Q171-K174 HydrophobicContact CB-CG 3.68Å; Q171-K174 WeakPolarHBondContact O-CB 3.43Å; Q171-K174 PolarHBondContact O-N 3Å; Q171-K174 VanDerWaalsContact O-N 3.1Å; P172-K174 PolarHBondContact O-N 3.29Å; K174-N242 PolarHBondContact O-N 3.47Å; K174-N242 VanDerWaalsContact O-N 3.12Å
175	T	96.3	Very high	93.7	Very high	5 Å²	5	40 Å²	40	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.8	-177.8	-53.5	0	0	0	0	110.5	Q84 L85 P86 T239 Y240 T241	Q84-T175 PolarHBondContact OE1-OG1 3.35Å; L85-T175 HydrophobicContact CD2-CG2 3.97Å; P86-T175 VanDerWaalsContact CD-O 3.3Å; P86-T175 WeakPolarHBondContact CD-O 3.34Å; T175-T239 HydrophobicContact CG2-CG2 4.33Å; T175-Y240 CarbonylContact C-O 3.57Å; T175-Y240 VanDerWaalsContact CA-O 3.3Å; T175-Y240 WeakPolarHBondContact CA-O 3.48Å; T175-T241 VanDerWaalsContact CG2-OG1 3.31Å; T175-T241 WeakPolarHBondContact CG2-OG1 3.42Å; T175-T241 WeakPolarHBondContact OG1-CG2 3.4Å; T175-T241 PolarHBondContact OG1-OG1 3.09Å
176	I	96.8	Very high	93.3	Very high	24 Å²	24	45.5 Å²	45.5	12%	0.123	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	158.4	172.6	56.3	161.6	0	0	0	110.3	V168 V170 T239 Y240 I266	V168-I176 HydrophobicContact CG1-CD1 3.41Å; V168-I176 VanDerWaalsContact CG1-CD1 3.41Å; V170-I176 HydrophobicContact CB-CD1 3.99Å; V170-I176 HydrophobicContact CB-CG1 4.05Å; V170-I176 HydrophobicContact CB-CG2 3.99Å; V170-I176 HydrophobicContact CG2-CB 4.48Å; V170-I176 HydrophobicContact CG2-CG1 4.1Å; V170-I176 HydrophobicContact CG2-CG2 3.75Å; I176-T239 CarbonylContact O-C 3.58Å; I176-T239 WeakPolarHBondContact O-CA 3.47Å; I176-T239 WeakPolarHBondContact O-CB 3.36Å; I176-Y240 HydrophobicContact CG1-CD1 4.44Å; I176-Y240 PolarHBondContact N-O 3.45Å; I176-Y240 PolarHBondContact O-N 2.89Å; I176-I266 HydrophobicContact CD1-CG2 4.28Å
177	I	96.5	Very high	92.8	Very high	70 Å²	70	46.2 Å²	46.2	36%	0.359	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	137.6	160.1	-67.8	172.8	0	0	0	108	L85 P179 Q236 T239	L85-I177 HydrophobicContact CD1-CD1 3.78Å; L85-I177 HydrophobicContact CD1-CG1 3.83Å; L85-I177 HydrophobicContact CD2-CG1 3.91Å; I177-P179 VanDerWaalsContact O-CD 3.25Å; I177-P179 WeakPolarHBondContact O-CD 3.39Å; I177-Q236 VanDerWaalsContact CG2-O 3.24Å; I177-Q236 WeakPolarHBondContact CG2-O 3.12Å; I177-T239 HydrophobicContact CG1-CG2 4.09Å
178	I	96.9	Very high	92.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.			trans	-82	110.6	173.6	-52.1	177	0	0	0	108.3	P164 L181 L195 F202 V238 F264 I266	P164-I178 HydrophobicContact CG-CG2 4Å; I178-L181 HydrophobicContact CB-CD1 3.76Å; I178-L181 HydrophobicContact CB-CG 4.14Å; I178-L181 HydrophobicContact CD1-CD1 4.14Å; I178-L181 HydrophobicContact CG2-CD1 3.81Å; I178-L181 HydrophobicContact CG2-CD2 4.06Å; I178-L181 HydrophobicContact CG2-CG 3.74Å; I178-L195 HydrophobicContact CD1-CD2 4.26Å; I178-F202 HydrophobicContact CD1-CD1 3.94Å; I178-F202 HydrophobicContact CD1-CE1 3.65Å; I178-V238 HydrophobicContact CD1-CG1 3.99Å; I178-V238 PolarHBondContact N-O 3Å; I178-F264 HydrophobicContact CD1-CZ 4.43Å; I178-F264 HydrophobicContact CG2-CE2 3.84Å; I178-F264 HydrophobicContact CG2-CZ 3.86Å; I178-I266 HydrophobicContact CD1-CD1 4.47Å
179	P	94.4	Very high	92	Very high	25 Å²	25	58.4 Å²	58.4	16%	0.162	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	143.6	-175	30.3	-35.4	0	0	0	111.6	L152 P164 V168 I177 L181	L152-P179 HydrophobicContact CD1-CB 4.33Å; L152-P179 HydrophobicContact CD1-CG 3.62Å; L152-P179 HydrophobicContact CD2-CB 3.94Å; L152-P179 HydrophobicContact CD2-CG 4Å; L152-P179 HydrophobicContact CG-CG 4.49Å; P164-P179 HydrophobicContact CB-CG 4.4Å; P164-P179 VanDerWaalsContact CD-O 3.24Å; P164-P179 WeakPolarHBondContact CD-O 3.31Å; P164-P179 VanDerWaalsContact CG-O 3.31Å; P164-P179 WeakPolarHBondContact CG-O 3.44Å; V168-P179 HydrophobicContact CG2-CG 4.11Å; I177-P179 VanDerWaalsContact O-CD 3.25Å; I177-P179 WeakPolarHBondContact O-CD 3.39Å; P179-L181 PolarHBondContact O-N 2.9Å
180	G	92.8	Very high	91.9	Very high	10 Å²	10	56.7 Å²	56.7	10%	0.103	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	10.4	165.8	0	0	0	0	0	116.4	Q162 G182	Q162-G180 CarbonylContact C-O 3.51Å; Q162-G180 WeakPolarHBondContact CG-O 3.29Å; Q162-G180 PolarHBondContact NE2-O 3.01Å; G180-G182 PolarHBondContact O-N 2.89Å
181	L	95.1	Very high	92	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.031	30%	0.302	C	S	.	.			trans	-63.8	132.9	171.9	-67.9	178.3	0	0	0	111.1	Q162 I178 P179 L195 L235 V238 F255 F264	Q162-L181 CarbonylContact O-C 3.37Å; Q162-L181 WeakPolarHBondContact O-CA 3.47Å; I178-L181 HydrophobicContact CB-CD1 3.76Å; I178-L181 HydrophobicContact CB-CG 4.14Å; I178-L181 HydrophobicContact CD1-CD1 4.14Å; I178-L181 HydrophobicContact CG2-CD1 3.81Å; I178-L181 HydrophobicContact CG2-CD2 4.06Å; I178-L181 HydrophobicContact CG2-CG 3.74Å; P179-L181 PolarHBondContact O-N 2.9Å; L181-L195 HydrophobicContact CD1-CD2 3.77Å; L181-L195 HydrophobicContact CD2-CD2 4.15Å; L181-L235 HydrophobicContact CB-CB 4Å; L181-L235 HydrophobicContact CB-CD2 4.32Å; L181-V238 HydrophobicContact CD1-CB 3.93Å; L181-V238 HydrophobicContact CD1-CG1 4.01Å; L181-V238 HydrophobicContact CD1-CG2 4.49Å; L181-F255 HydrophobicContact CD2-CD1 4.26Å; L181-F255 HydrophobicContact CD2-CE1 4.18Å; L181-F255 HydrophobicContact CD2-CZ 4.43Å; L181-F264 HydrophobicContact CD2-CE1 4.13Å; L181-F264 HydrophobicContact CD2-CZ 4.18Å
182	G	94.1	Very high	92.1	Very high	2 Å²	2	55.8 Å²	55.8	2%	0.021	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	163.9	178.6	0	0	0	0	0	113.2	Q162 G180	Q162-G182 PolarHBondContact N-O 3.16Å; Q162-G182 PolarHBondContact O-N 3.17Å; G180-G182 PolarHBondContact O-N 2.89Å
183	L	93.9	Very high	92.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.6	173.7	-176	70.1	0	0	0	109.2	P160 L161 L185 Y191 V193 L228 L231 N232 T257	P160-L183 HydrophobicContact CB-CD1 4.32Å; P160-L183 CarbonylContact O-C 3.56Å; P160-L183 WeakPolarHBondContact O-CA 3.48Å; L161-L183 HydrophobicContact CD2-CD1 4.1Å; L183-L185 HydrophobicContact CD1-CB 4.15Å; L183-L185 HydrophobicContact CD2-CB 4.38Å; L183-L185 HydrophobicContact CG-CB 4.01Å; L183-Y191 HydrophobicContact CD2-CD1 3.69Å; L183-Y191 HydrophobicContact CD2-CG 4.16Å; L183-V193 HydrophobicContact CB-CG1 4.29Å; L183-V193 HydrophobicContact CD1-CG1 4.2Å; L183-V193 HydrophobicContact CD2-CG1 4.06Å; L183-V193 HydrophobicContact CG-CG1 4.43Å; L183-L228 HydrophobicContact CB-CD1 4.02Å; L183-L228 HydrophobicContact CD2-CD1 3.83Å; L183-L228 HydrophobicContact CG-CD1 3.99Å; L183-L228 WeakPolarHBondContact O-CD1 3.44Å; L183-L231 HydrophobicContact CD2-CD2 3.91Å; L183-N232 PolarHBondContact N-OD1 3.4Å; L183-N232 PolarHBondContact O-ND2 2.85Å; L183-N232 PolarHBondContact O-OD1 3.47Å; L183-T257 HydrophobicContact CD1-CG2 3.88Å
184	R	90.8	Very high	92.5	Very high	99 Å²	99	52.8 Å²	52.8	37%	0.374	28%	0.282	S	S	.	.			trans	-115.9	85.4	174.8	-61.5	-70.8	-175	179.2	-2.4	107.5	D69 A157 P160	D69-R184 IonicContact OD2-NH2 2.93Å; D69-R184 PolarHBondContact OD2-NH2 2.83Å; A157-R184 HydrophobicContact CB-CB 4Å; A157-R184 HydrophobicContact CB-CG 4.06Å; P160-R184 WeakPolarHBondContact CA-O 3.35Å; P160-R184 WeakPolarHBondContact CB-O 3.46Å; P160-R184 PolarHBondContact O-N 3.31Å
185	L	87	Confident	92.6	Very high	30 Å²	30	47.3 Å²	47.3	16%	0.157	26%	0.258	C	S	.	.			trans	-148.1	125.5	-176.5	-165.1	105.9	0	0	0	109	P160 L183 R188 Y191 L228	P160-L185 HydrophobicContact CB-CB 4.36Å; P160-L185 HydrophobicContact CB-CD1 3.72Å; P160-L185 HydrophobicContact CG-CD1 4.21Å; L183-L185 HydrophobicContact CD1-CB 4.15Å; L183-L185 HydrophobicContact CD2-CB 4.38Å; L183-L185 HydrophobicContact CG-CB 4.01Å; L185-R188 HydrophobicContact CD2-CG 3.36Å; L185-R188 HydrophobicContact CG-CG 4.46Å; L185-Y191 HydrophobicContact CB-CE1 4.37Å; L185-Y191 HydrophobicContact CD2-CD1 4.18Å; L185-Y191 HydrophobicContact CD2-CE1 4.11Å; L185-Y191 WeakPolarHBondContact O-CE1 3.44Å; L185-Y191 PolarHBondContact O-OH 3.26Å; L185-L228 WeakPolarHBondContact O-CD2 3.27Å
186	E	82.9	Confident	92.7	Very high	175 Å²	175	49.3 Å²	49.3	82%	0.818	27%	0.271	S	S	*	.			trans	-105.1	164.2	-176.6	-65.2	-172.5	177.3	0	0	112.7	R188	E186-R188 PolarHBondContact O-N 2.94Å
187	G	80.9	Confident	92.8	Very high	78 Å²	78	48.4 Å²	48.4	80%	0.804	27%	0.267	S	S	*	.	S	Bend	trans	68.5	28.4	168.3	0	0	0	0	0	116.3
188	R	82.8	Confident	92.7	Very high	122 Å²	122	52 Å²	52	46%	0.46	28%	0.28	S	S	.	.			trans	-108.3	147	175.1	-59	-61.4	-172.9	166.6	-0.4	111.7	L185 E186 S190 Y191	L185-R188 HydrophobicContact CD2-CG 3.36Å; L185-R188 HydrophobicContact CG-CG 4.46Å; E186-R188 PolarHBondContact O-N 2.94Å; R188-S190 VanDerWaalsContact C-N 3.31Å; R188-Y191 HydrophobicContact CB-CD1 4.08Å; R188-Y191 HydrophobicContact CB-CE1 3.65Å; R188-Y191 HydrophobicContact CG-CD1 4.37Å; R188-Y191 HydrophobicContact CG-CE1 3.93Å
189	N	85.2	Confident	92.7	Very high	157 Å²	157	53.3 Å²	53.3	84%	0.84	29%	0.287	S	S	*	.	S	Bend	trans	-73.4	-24.8	174.8	-62.8	-8.3	0	0	0	112.9
190	S	92.5	Very high	92.8	Very high	68 Å²	68	52.1 Å²	52.1	48%	0.476	28%	0.279	S	S	.	.			trans	-155.5	140.1	176.6	-176.6	0	0	0	0	109.4	R188	R188-S190 VanDerWaalsContact C-N 3.31Å
191	Y	95.8	Very high	93	Very high	22 Å²	22	53.1 Å²	53.1	9%	0.086	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.6	-179.9	-60.4	-79.9	0	0	0	108.8	L183 L185 R188 S224 S225 L228 L231	L183-Y191 HydrophobicContact CD2-CD1 3.69Å; L183-Y191 HydrophobicContact CD2-CG 4.16Å; L185-Y191 HydrophobicContact CB-CE1 4.37Å; L185-Y191 HydrophobicContact CD2-CD1 4.18Å; L185-Y191 HydrophobicContact CD2-CE1 4.11Å; L185-Y191 WeakPolarHBondContact O-CE1 3.44Å; L185-Y191 PolarHBondContact O-OH 3.26Å; R188-Y191 HydrophobicContact CB-CD1 4.08Å; R188-Y191 HydrophobicContact CB-CE1 3.65Å; R188-Y191 HydrophobicContact CG-CD1 4.37Å; R188-Y191 HydrophobicContact CG-CE1 3.93Å; Y191-S224 CarbonylContact O-C 3.57Å; Y191-S224 WeakPolarHBondContact O-CA 3.41Å; Y191-S224 WeakPolarHBondContact O-CB 3.49Å; Y191-S225 PolarHBondContact N-O 3.45Å; Y191-S225 PolarHBondContact O-N 3.37Å; Y191-L228 HydrophobicContact CD1-CD1 3.83Å; Y191-L228 HydrophobicContact CD2-CB 4.05Å; Y191-L228 HydrophobicContact CD2-CD1 4.39Å; Y191-L228 HydrophobicContact CE1-CB 4.41Å; Y191-L228 HydrophobicContact CE1-CD1 3.96Å; Y191-L228 HydrophobicContact CE2-CB 3.72Å; Y191-L228 HydrophobicContact CG-CD1 4.02Å; Y191-L231 VanDerWaalsContact CB-CD2 3.48Å
192	T	96.6	Very high	93.2	Very high	57 Å²	57	52.8 Å²	52.8	35%	0.35	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	135.5	177.4	-56.5	0	0	0	0	109.8	L223 T257	T192-L223 CarbonylContact C-O 3.51Å; T192-L223 WeakPolarHBondContact CA-O 3.19Å; T192-T257 WeakPolarHBondContact O-CB 3.34Å; T192-T257 PolarHBondContact O-OG1 2.73Å
193	V	97.4	Very high	93.4	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	145.9	174.4	-63.5	0	0	0	0	110.3	L183 S222 L223 L231 L235 F255 K256	L183-V193 HydrophobicContact CB-CG1 4.29Å; L183-V193 HydrophobicContact CD1-CG1 4.2Å; L183-V193 HydrophobicContact CD2-CG1 4.06Å; L183-V193 HydrophobicContact CG-CG1 4.43Å; V193-S222 WeakPolarHBondContact O-CA 3.31Å; V193-L223 HydrophobicContact CG2-CB 3.91Å; V193-L223 HydrophobicContact CG2-CD1 4.23Å; V193-L223 PolarHBondContact N-O 2.82Å; V193-L223 PolarHBondContact O-N 2.93Å; V193-L231 HydrophobicContact CG1-CD2 4.27Å; V193-L231 HydrophobicContact CG2-CD1 4.17Å; V193-L231 HydrophobicContact CG2-CD2 4.39Å; V193-L235 HydrophobicContact CG2-CD1 4.3Å; V193-L235 HydrophobicContact CG2-CD2 3.91Å; V193-L235 HydrophobicContact CG2-CG 4.48Å; V193-F255 HydrophobicContact CB-CE2 3.73Å; V193-F255 HydrophobicContact CB-CZ 4.34Å; V193-F255 HydrophobicContact CG1-CE2 4.15Å; V193-F255 HydrophobicContact CG1-CZ 4.29Å; V193-F255 HydrophobicContact CG2-CE2 4.21Å; V193-K256 CarbonylContact C-O 3.54Å; V193-K256 VanDerWaalsContact CA-O 3.32Å; V193-K256 WeakPolarHBondContact CA-O 3Å
194	N	98.2	Very high	93.6	Very high	43 Å²	43	54 Å²	54	23%	0.23	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.4	-177.6	-64.4	-15.6	0	0	0	109.6	I221 S222 F255 K256	N194-I221 CarbonylContact C-O 3.58Å; N194-I221 VanDerWaalsContact CA-O 3.29Å; N194-I221 WeakPolarHBondContact CA-O 3.44Å; N194-S222 VanDerWaalsContact OD1-CB 3.24Å; N194-S222 WeakPolarHBondContact OD1-CB 3.36Å; N194-S222 PolarHBondContact OD1-OG 2.92Å; N194-F255 CarbonylContact O-C 3.45Å; N194-F255 WeakPolarHBondContact O-CA 3.27Å; N194-K256 HydrophobicContact CB-CB 4.49Å; N194-K256 PolarHBondContact N-O 3.34Å; N194-K256 PolarHBondContact O-N 2.8Å
195	L	98.4	Very high	93.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142	167.7	-59.6	94.5	0	0	0	110.3	I178 L181 F202 H220 I221 L223 V253 Q254 F255 F264	I178-L195 HydrophobicContact CD1-CD2 4.26Å; L181-L195 HydrophobicContact CD1-CD2 3.77Å; L181-L195 HydrophobicContact CD2-CD2 4.15Å; L195-F202 HydrophobicContact CB-CD2 4.25Å; L195-F202 HydrophobicContact CB-CE1 4.23Å; L195-F202 HydrophobicContact CB-CE2 3.81Å; L195-F202 HydrophobicContact CB-CZ 3.8Å; L195-F202 HydrophobicContact CD2-CE1 4.29Å; L195-H220 CarbonylContact O-C 3.6Å; L195-H220 VanDerWaalsContact O-CA 3.3Å; L195-H220 WeakPolarHBondContact O-CA 3.42Å; L195-H220 PolarHBondContact O-ND1 3.37Å; L195-I221 HydrophobicContact CB-CG2 3.79Å; L195-I221 HydrophobicContact CD1-CG2 3.83Å; L195-I221 HydrophobicContact CG-CG2 4.41Å; L195-I221 PolarHBondContact N-O 2.79Å; L195-I221 PolarHBondContact O-N 2.94Å; L195-L223 HydrophobicContact CD1-CD1 3.99Å; L195-V253 HydrophobicContact CB-CG1 4.45Å; L195-V253 HydrophobicContact CD2-CG1 4.18Å; L195-Q254 CarbonylContact C-O 3.32Å; L195-Q254 VanDerWaalsContact CA-O 3.25Å; L195-Q254 WeakPolarHBondContact CA-O 3.45Å; L195-F255 HydrophobicContact CD1-CD2 4.18Å; L195-F255 HydrophobicContact CD1-CE2 4.16Å; L195-F255 HydrophobicContact CD2-CD2 4.28Å; L195-F255 HydrophobicContact CG-CD2 3.79Å; L195-F255 HydrophobicContact CG-CE2 4.26Å; L195-F264 HydrophobicContact CD2-CE1 4.5Å; L195-F264 HydrophobicContact CD2-CZ 4.31Å
196	T	98.6	Very high	94.3	Very high	47 Å²	47	48.2 Å²	48.2	29%	0.288	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	128.7	175.1	-51.8	0	0	0	0	109.8	K219 H220 V253 Q254	T196-K219 CarbonylContact C-O 3.58Å; T196-K219 WeakPolarHBondContact CA-O 3.13Å; T196-H220 PolarHBondContact OG1-ND1 3.21Å; T196-V253 CarbonylContact O-C 3.57Å; T196-V253 WeakPolarHBondContact O-CA 3.48Å; T196-Q254 PolarHBondContact N-O 3.42Å; T196-Q254 PolarHBondContact O-N 3.04Å
197	A	97.8	Very high	95	Very high	6 Å²	6	42.6 Å²	42.6	5%	0.05	24%	0.242	C	C	.	.			trans	-114.6	158.2	177.1	0	0	0	0	0	111	F202 K219 Y240 V253	A197-F202 HydrophobicContact CB-CE2 3.63Å; A197-F202 HydrophobicContact CB-CZ 3.55Å; A197-K219 PolarHBondContact N-O 2.95Å; A197-Y240 HydrophobicContact CB-CE2 4.11Å; A197-V253 HydrophobicContact CB-CG2 4.33Å
198	K	95.6	Very high	95.8	Very high	146 Å²	146	39.1 Å²	39.1	64%	0.635	21%	0.206	S	C	*	.	S	Bend	trans	-91.9	-36.5	173.4	-68.7	-174.1	176.5	-178.4	0	111.9	K219 D251	K198-K219 WeakPolarHBondContact O-CE 3.41Å; K198-K219 PolarHBondContact O-NZ 2.84Å; K198-D251 WeakPolarHBondContact CB-OD1 3.41Å; K198-D251 PolarHBondContact N-OD1 2.75Å
199	M	95.6	Very high	96.4	Very high	27 Å²	27	38 Å²	38	13%	0.133	21%	0.209	C	C	.	.	S	Bend	trans	-110.7	-40.3	-169.4	-51.4	179.3	65.4	0	0	113.5	T243 I244 T249 D251	M199-T243 PolarHBondContact O-OG1 3.2Å; M199-I244 HydrophobicContact CB-CD1 3.98Å; M199-I244 HydrophobicContact CE-CB 3.88Å; M199-I244 HydrophobicContact CE-CD1 4.04Å; M199-I244 HydrophobicContact CE-CG1 4.5Å; M199-I244 HydrophobicContact CE-CG2 3.94Å; M199-I244 HydrophobicContact CG-CD1 4.19Å; M199-T249 HydrophobicContact CE-CG2 3.57Å; M199-T249 HydrophobicContact SD-CG2 4.16Å; M199-D251 WeakPolarHBondContact CA-OD2 3.26Å; M199-D251 HydrophobicContact CB-CB 4.11Å; M199-D251 VanDerWaalsContact CB-OD2 3.27Å; M199-D251 WeakPolarHBondContact CB-OD2 3.37Å; M199-D251 HydrophobicContact CG-CB 4.14Å; M199-D251 VanDerWaalsContact N-CG 3.32Å; M199-D251 PolarHBondContact N-OD1 2.83Å; M199-D251 VanDerWaalsContact N-OD1 3.13Å; M199-D251 PolarHBondContact N-OD2 2.85Å; M199-D251 HydrophobicContact SD-CB 4.09Å
200	G	96.4	Very high	96.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	175.9	-177	0	0	0	0	0	114.3	K219 Y240 T241 D251	G200-K219 WeakPolarHBondContact O-CG 3.5Å; G200-Y240 VanDerWaalsContact CA-CE2 3.48Å; G200-Y240 WeakPolarHBondContact CA-OH 3.37Å; G200-Y240 PolarHBondContact N-OH 2.94Å; G200-T241 CarbonylContact C-O 3.47Å; G200-T241 WeakPolarHBondContact CA-O 3.41Å; G200-D251 PolarHBondContact N-OD2 3.28Å
201	T	98.2	Very high	97.1	Very high	30 Å²	30	36.8 Å²	36.8	18%	0.184	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	157.4	174	57.6	0	0	0	0	110.5	G217 E218 K219 T241 T243	T201-G217 WeakPolarHBondContact CB-O 3.38Å; T201-G217 VanDerWaalsContact CG2-O 3.28Å; T201-G217 WeakPolarHBondContact CG2-O 3.25Å; T201-E218 CarbonylContact C-O 3.53Å; T201-E218 VanDerWaalsContact CA-O 3.24Å; T201-E218 WeakPolarHBondContact CA-O 3.07Å; T201-E218 WeakPolarHBondContact CB-O 3.36Å; T201-K219 HydrophobicContact CG2-CG 4.39Å; T201-T241 PolarHBondContact N-O 3.22Å; T201-T241 PolarHBondContact O-N 3.17Å; T201-T243 HydrophobicContact CG2-CG2 3.93Å
202	F	98.6	Very high	97.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	145.1	179	-58.9	-72.1	0	0	0	111.8	I178 L195 A197 G217 E218 K219 I221 V238 T239 Y240 V253	I178-F202 HydrophobicContact CD1-CD1 3.94Å; I178-F202 HydrophobicContact CD1-CE1 3.65Å; L195-F202 HydrophobicContact CB-CD2 4.25Å; L195-F202 HydrophobicContact CB-CE1 4.23Å; L195-F202 HydrophobicContact CB-CE2 3.81Å; L195-F202 HydrophobicContact CB-CZ 3.8Å; L195-F202 HydrophobicContact CD2-CE1 4.29Å; A197-F202 HydrophobicContact CB-CE2 3.63Å; A197-F202 HydrophobicContact CB-CZ 3.55Å; F202-G217 PolarHBondContact O-N 3.32Å; F202-E218 PolarHBondContact N-O 2.99Å; F202-K219 WeakPolarHBondContact CE2-O 3.32Å; F202-I221 HydrophobicContact CB-CB 3.82Å; F202-I221 HydrophobicContact CB-CD1 4.06Å; F202-I221 HydrophobicContact CB-CG2 3.53Å; F202-I221 HydrophobicContact CD2-CB 4.31Å; F202-I221 HydrophobicContact CD2-CG2 3.71Å; F202-I221 HydrophobicContact CG-CB 4.37Å; F202-I221 HydrophobicContact CG-CG2 3.68Å; F202-V238 HydrophobicContact CD1-CG1 4.36Å; F202-T239 VanDerWaalsContact CA-O 3.29Å; F202-T239 WeakPolarHBondContact CA-O 3.31Å; F202-Y240 HydrophobicContact CD1-CD2 4.35Å; F202-Y240 AromaticContact CE1-CD2 3.89Å; F202-Y240 HydrophobicContact CE1-CD2 3.89Å; F202-Y240 HydrophobicContact CZ-CD2 4.49Å; F202-V253 HydrophobicContact CE1-CG1 4.29Å; F202-V253 HydrophobicContact CZ-CG1 3.74Å; F202-V253 HydrophobicContact CZ-CG2 4.2Å
203	D	98.2	Very high	97.2	Very high	26 Å²	26	36.9 Å²	36.9	14%	0.139	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	-172.1	168.3	-153.8	-26.8	0	0	0	108.6	K78 V81 V238 T239	K78-D203 IonicContact NZ-OD1 2.99Å; K78-D203 PolarHBondContact NZ-OD1 3.09Å; K78-D203 IonicContact NZ-OD2 2.87Å; K78-D203 PolarHBondContact NZ-OD2 3.01Å; V81-D203 HydrophobicContact CG1-CB 4.2Å; V81-D203 HydrophobicContact CG2-CB 4.22Å; V81-D203 VanDerWaalsContact CG2-OD2 3.24Å; V81-D203 WeakPolarHBondContact CG2-OD2 3.38Å; D203-V238 WeakPolarHBondContact O-CA 3.27Å; D203-T239 VanDerWaalsContact C-OG1 3.23Å; D203-T239 PolarHBondContact N-O 2.71Å; D203-T239 VanDerWaalsContact N-O 3.14Å; D203-T239 PolarHBondContact O-N 2.93Å; D203-T239 PolarHBondContact O-OG1 3.12Å
204	V	97.8	Very high	97.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130	174.7	-64.3	0	0	0	0	110.5	K78 A206 T207 V213 M216 I221 F237 V238	K78-V204 WeakPolarHBondContact CD-O 3.41Å; V204-A206 PolarHBondContact O-N 3.37Å; V204-T207 HydrophobicContact CG2-CG2 4.2Å; V204-V213 HydrophobicContact CG1-CG1 4.31Å; V204-M216 HydrophobicContact CG2-SD 4.06Å; V204-I221 HydrophobicContact CG1-CD1 4.32Å; V204-F237 CarbonylContact C-O 3.45Å; V204-F237 VanDerWaalsContact CA-O 3.27Å; V204-F237 WeakPolarHBondContact CA-O 3.38Å; V204-V238 HydrophobicContact CG1-CG2 4.23Å
205	A	97	Very high	97.2	Very high	7 Å²	7	42.5 Å²	42.5	6%	0.058	22%	0.217	C	C	.	.	S	Bend	trans	-72.2	-20.5	177.7	0	0	0	0	0	112.9	K78 L85 F237 T239	K78-A205 PolarHBondContact N-O 3.16Å; L85-A205 HydrophobicContact CD1-CB 3.98Å; A205-F237 HydrophobicContact CB-CB 4.49Å; A205-F237 PolarHBondContact N-O 2.72Å; A205-T239 HydrophobicContact CB-CG2 3.85Å
206	A	96.9	Very high	97.1	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	156.8	175.6	0	0	0	0	0	110.5	Y75 K76 V204 Q234 F237	Y75-A206 HydrophobicContact CD2-CB 3.55Å; Y75-A206 HydrophobicContact CE2-CB 4.3Å; Y75-A206 HydrophobicContact CG-CB 4.24Å; K76-A206 CarbonylContact O-C 3.54Å; K76-A206 WeakPolarHBondContact O-CA 3.48Å; K76-A206 WeakPolarHBondContact O-CB 3.38Å; V204-A206 PolarHBondContact O-N 3.37Å; A206-Q234 PolarHBondContact O-NE2 2.79Å; A206-F237 HydrophobicContact CB-CB 4.22Å; A206-F237 HydrophobicContact CB-CD1 3.89Å; A206-F237 HydrophobicContact CB-CD2 3.93Å; A206-F237 HydrophobicContact CB-CE1 4.2Å; A206-F237 HydrophobicContact CB-CE2 4.24Å; A206-F237 HydrophobicContact CB-CG 3.75Å; A206-F237 HydrophobicContact CB-CZ 4.37Å
207	T	97.1	Very high	97	Very high	57 Å²	57	46.4 Å²	46.4	35%	0.35	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	143.3	176.1	54.3	0	0	0	0	110.9	Y75 K76 V204	Y75-T207 CarbonylContact C-O 3.57Å; Y75-T207 VanDerWaalsContact CA-O 3.29Å; Y75-T207 WeakPolarHBondContact CA-O 3.5Å; Y75-T207 WeakPolarHBondContact CB-O 3.05Å; K76-T207 PolarHBondContact N-O 2.91Å; K76-T207 PolarHBondContact O-N 3.01Å; V204-T207 HydrophobicContact CG2-CG2 4.2Å
208	V	97.4	Very high	97	Very high	6 Å²	6	51.8 Å²	51.8	4%	0.036	27%	0.269	C	S	.	.			trans	-115.2	136.8	178.7	-176.7	0	0	0	0	108.9	I73 V211 A230 R233 Q234 F237	I73-V208 HydrophobicContact CG2-CG1 3.9Å; V208-V211 HydrophobicContact CB-CG2 4.14Å; V208-V211 HydrophobicContact CG1-CG2 4.34Å; V208-V211 PolarHBondContact O-N 2.93Å; V208-A230 HydrophobicContact CG1-CB 4.23Å; V208-R233 HydrophobicContact CG1-CB 4.31Å; V208-R233 HydrophobicContact CG1-CG 4.19Å; V208-R233 HydrophobicContact CG2-CB 4.23Å; V208-R233 HydrophobicContact CG2-CG 3.72Å; V208-Q234 HydrophobicContact CB-CB 4.17Å; V208-Q234 HydrophobicContact CG2-CB 3.99Å; V208-F237 HydrophobicContact CG2-CD2 4.08Å; V208-F237 HydrophobicContact CG2-CE2 4Å
209	D	95.4	Very high	97.1	Very high	98 Å²	98	49.6 Å²	49.6	52%	0.524	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	147.3	179.4	-71.7	-24.6	0	0	0	111.1	K76 V211	K76-D209 IonicContact NZ-OD1 3.9Å; D209-V211 VanDerWaalsContact C-N 3.25Å; D209-V211 PolarHBondContact O-N 2.98Å
210	R	94.3	Very high	97.3	Very high	174 Å²	174	51.9 Å²	51.9	66%	0.657	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	20.8	-177.1	-48.7	174.7	63.8	-169.2	-0.1	114.5	S225	R210-S225 WeakPolarHBondContact O-CB 3.39Å; R210-S225 PolarHBondContact O-OG 3.06Å
211	V	97.7	Very high	97.4	Very high	25 Å²	25	51.9 Å²	51.9	15%	0.152	27%	0.27	C	S	.	.			trans	-117.4	127.8	171	-168.6	0	0	0	0	110.7	V208 D209 V213 S224 A230 L231 Q234	V208-V211 HydrophobicContact CB-CG2 4.14Å; V208-V211 HydrophobicContact CG1-CG2 4.34Å; V208-V211 PolarHBondContact O-N 2.93Å; D209-V211 VanDerWaalsContact C-N 3.25Å; D209-V211 PolarHBondContact O-N 2.98Å; V211-V213 HydrophobicContact CG1-CG2 4.36Å; V211-S224 WeakPolarHBondContact CA-O 2.97Å; V211-A230 HydrophobicContact CG2-CB 3.94Å; V211-A230 WeakPolarHBondContact CG2-O 3.35Å; V211-L231 HydrophobicContact CG1-CD1 4.14Å; V211-Q234 HydrophobicContact CB-CB 4.22Å; V211-Q234 HydrophobicContact CB-CG 4.22Å; V211-Q234 HydrophobicContact CG1-CB 3.92Å; V211-Q234 HydrophobicContact CG1-CG 3.72Å; V211-Q234 HydrophobicContact CG2-CB 3.98Å
212	S	97.6	Very high	97.4	Very high	54 Å²	54	51.7 Å²	51.7	38%	0.378	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.7	172.6	171.3	0	0	0	0	109.1	L223 S224	S212-L223 CarbonylContact O-C 3.5Å; S212-L223 WeakPolarHBondContact O-CA 3.3Å; S212-S224 PolarHBondContact N-O 2.83Å; S212-S224 PolarHBondContact O-N 2.92Å
213	V	97.8	Very high	97.4	Very high	28 Å²	28	51.7 Å²	51.7	17%	0.17	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.1	177.5	-173.6	0	0	0	0	109.3	V204 V211 M216 I221 S222 L223 Q234	V204-V213 HydrophobicContact CG1-CG1 4.31Å; V211-V213 HydrophobicContact CG1-CG2 4.36Å; V213-M216 HydrophobicContact CG1-CG 3.76Å; V213-M216 HydrophobicContact CG1-SD 4.28Å; V213-I221 HydrophobicContact CG1-CD1 3.73Å; V213-I221 HydrophobicContact CG1-CG1 3.93Å; V213-S222 WeakPolarHBondContact CA-O 3.07Å; V213-L223 HydrophobicContact CG1-CG 4.34Å; V213-L223 HydrophobicContact CG2-CD2 4.08Å; V213-L223 HydrophobicContact CG2-CG 4.34Å; V213-Q234 HydrophobicContact CG2-CG 4.24Å
214	K	98	Very high	97.3	Very high	144 Å²	144	52 Å²	52	63%	0.626	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.3	146	177.5	-63.8	-175.8	178.8	-176.2	0	110.2	I221 S222	K214-I221 CarbonylContact O-C 3.56Å; K214-I221 WeakPolarHBondContact O-CA 3.46Å; K214-I221 VanDerWaalsContact O-CG1 3.31Å; K214-I221 WeakPolarHBondContact O-CG1 3.46Å; K214-S222 PolarHBondContact N-O 3.32Å; K214-S222 PolarHBondContact O-N 2.86Å
215	G	96.7	Very high	97.3	Very high	17 Å²	17	52.1 Å²	52.1	18%	0.175	28%	0.275	C	S	.	.			trans	80.5	28.9	179.6	0	0	0	0	0	114.5	E218 H220	G215-E218 WeakPolarHBondContact O-CB 3.2Å; G215-E218 PolarHBondContact O-N 2.82Å; G215-H220 WeakPolarHBondContact CA-O 3.29Å; G215-H220 VanDerWaalsContact O-O 3.06Å
216	M	96.9	Very high	97.2	Very high	85 Å²	85	55.1 Å²	55.1	42%	0.419	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	135	171.8	-68.2	-178.2	-71.7	0	0	110.3	V204 V213 E218	V204-M216 HydrophobicContact CG2-SD 4.06Å; V213-M216 HydrophobicContact CG1-CG 3.76Å; V213-M216 HydrophobicContact CG1-SD 4.28Å; M216-E218 PolarHBondContact O-N 2.8Å
217	G	96.2	Very high	97.1	Very high	44 Å²	44	56 Å²	56	45%	0.454	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	-1	-175.2	0	0	0	0	0	114.2	T201 F202	T201-G217 WeakPolarHBondContact CB-O 3.38Å; T201-G217 VanDerWaalsContact CG2-O 3.28Å; T201-G217 WeakPolarHBondContact CG2-O 3.25Å; F202-G217 PolarHBondContact O-N 3.32Å
218	E	98	Very high	97	Very high	118 Å²	118	55 Å²	55	55%	0.551	29%	0.293	S	S	*	.	S	Bend	trans	-103.6	169.6	-179.7	-60.7	-178.2	-172.8	0	0	111.8	T201 F202 G215 M216 H220	T201-E218 CarbonylContact C-O 3.53Å; T201-E218 VanDerWaalsContact CA-O 3.24Å; T201-E218 WeakPolarHBondContact CA-O 3.07Å; T201-E218 WeakPolarHBondContact CB-O 3.36Å; F202-E218 PolarHBondContact N-O 2.99Å; G215-E218 WeakPolarHBondContact O-CB 3.2Å; G215-E218 PolarHBondContact O-N 2.82Å; M216-E218 PolarHBondContact O-N 2.8Å; E218-H220 PolarHBondContact O-N 3.06Å
219	K	98.1	Very high	96.8	Very high	100 Å²	100	57.3 Å²	57.3	44%	0.435	31%	0.31	S	S	.	.	S	Bend	trans	-71.6	-9.8	173.3	-62	-166.7	175.2	-175.9	0	113.3	T196 A197 K198 G200 T201 F202	T196-K219 CarbonylContact C-O 3.58Å; T196-K219 WeakPolarHBondContact CA-O 3.13Å; A197-K219 PolarHBondContact N-O 2.95Å; K198-K219 WeakPolarHBondContact O-CE 3.41Å; K198-K219 PolarHBondContact O-NZ 2.84Å; G200-K219 WeakPolarHBondContact O-CG 3.5Å; T201-K219 HydrophobicContact CG2-CG 4.39Å; F202-K219 WeakPolarHBondContact CE2-O 3.32Å
220	H	98.3	Very high	96.9	Very high	75 Å²	75	53 Å²	53	35%	0.347	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.2	-179.7	178.6	72.7	0	0	0	109.6	L195 T196 G215 E218	L195-H220 CarbonylContact O-C 3.6Å; L195-H220 VanDerWaalsContact O-CA 3.3Å; L195-H220 WeakPolarHBondContact O-CA 3.42Å; L195-H220 PolarHBondContact O-ND1 3.37Å; T196-H220 PolarHBondContact OG1-ND1 3.21Å; G215-H220 WeakPolarHBondContact CA-O 3.29Å; G215-H220 VanDerWaalsContact O-O 3.06Å; E218-H220 PolarHBondContact O-N 3.06Å
221	I	98.5	Very high	97	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.2	176.1	-168.1	173.8	0	0	0	109.7	N194 L195 F202 V204 V213 K214 L223	N194-I221 CarbonylContact C-O 3.58Å; N194-I221 VanDerWaalsContact CA-O 3.29Å; N194-I221 WeakPolarHBondContact CA-O 3.44Å; L195-I221 HydrophobicContact CB-CG2 3.79Å; L195-I221 HydrophobicContact CD1-CG2 3.83Å; L195-I221 HydrophobicContact CG-CG2 4.41Å; L195-I221 PolarHBondContact N-O 2.79Å; L195-I221 PolarHBondContact O-N 2.94Å; F202-I221 HydrophobicContact CB-CB 3.82Å; F202-I221 HydrophobicContact CB-CD1 4.06Å; F202-I221 HydrophobicContact CB-CG2 3.53Å; F202-I221 HydrophobicContact CD2-CB 4.31Å; F202-I221 HydrophobicContact CD2-CG2 3.71Å; F202-I221 HydrophobicContact CG-CB 4.37Å; F202-I221 HydrophobicContact CG-CG2 3.68Å; V204-I221 HydrophobicContact CG1-CD1 4.32Å; V213-I221 HydrophobicContact CG1-CD1 3.73Å; V213-I221 HydrophobicContact CG1-CG1 3.93Å; K214-I221 CarbonylContact O-C 3.56Å; K214-I221 WeakPolarHBondContact O-CA 3.46Å; K214-I221 VanDerWaalsContact O-CG1 3.31Å; K214-I221 WeakPolarHBondContact O-CG1 3.46Å; I221-L223 HydrophobicContact CD1-CD1 4.33Å; I221-L223 HydrophobicContact CG1-CD1 4.08Å; I221-L223 HydrophobicContact CG2-CD1 4.19Å
222	S	98.4	Very high	96.9	Very high	27 Å²	27	43.8 Å²	43.8	19%	0.189	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.8	177.2	-173.4	0	0	0	0	109.8	V193 N194 V213 K214	V193-S222 WeakPolarHBondContact O-CA 3.31Å; N194-S222 VanDerWaalsContact OD1-CB 3.24Å; N194-S222 WeakPolarHBondContact OD1-CB 3.36Å; N194-S222 PolarHBondContact OD1-OG 2.92Å; V213-S222 WeakPolarHBondContact CA-O 3.07Å; K214-S222 PolarHBondContact N-O 3.32Å; K214-S222 PolarHBondContact O-N 2.86Å
223	L	98.4	Very high	96.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.5	179.5	-56.2	93.1	0	0	0	109.3	T192 V193 L195 S212 V213 I221 L231 Q234 L235 V238	T192-L223 CarbonylContact C-O 3.51Å; T192-L223 WeakPolarHBondContact CA-O 3.19Å; V193-L223 HydrophobicContact CG2-CB 3.91Å; V193-L223 HydrophobicContact CG2-CD1 4.23Å; V193-L223 PolarHBondContact N-O 2.82Å; V193-L223 PolarHBondContact O-N 2.93Å; L195-L223 HydrophobicContact CD1-CD1 3.99Å; S212-L223 CarbonylContact O-C 3.5Å; S212-L223 WeakPolarHBondContact O-CA 3.3Å; V213-L223 HydrophobicContact CG1-CG 4.34Å; V213-L223 HydrophobicContact CG2-CD2 4.08Å; V213-L223 HydrophobicContact CG2-CG 4.34Å; I221-L223 HydrophobicContact CD1-CD1 4.33Å; I221-L223 HydrophobicContact CG1-CD1 4.08Å; I221-L223 HydrophobicContact CG2-CD1 4.19Å; L223-L231 HydrophobicContact CB-CD1 3.77Å; L223-Q234 HydrophobicContact CD2-CB 4.5Å; L223-Q234 HydrophobicContact CD2-CG 3.51Å; L223-L235 HydrophobicContact CD1-CD2 4.37Å; L223-L235 HydrophobicContact CD2-CD2 4.39Å; L223-V238 HydrophobicContact CD1-CG2 4.42Å; L223-V238 HydrophobicContact CD2-CG2 3.98Å
224	S	97.6	Very high	96.8	Very high	32 Å²	32	41 Å²	41	22%	0.224	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146.8	176.5	65.6	0	0	0	0	114.1	Y191 V211 S212	Y191-S224 CarbonylContact O-C 3.57Å; Y191-S224 WeakPolarHBondContact O-CA 3.41Å; Y191-S224 WeakPolarHBondContact O-CB 3.49Å; V211-S224 WeakPolarHBondContact CA-O 2.97Å; S212-S224 PolarHBondContact N-O 2.83Å; S212-S224 PolarHBondContact O-N 2.92Å
225	S	97.1	Very high	96.7	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.014	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	147.1	178.5	-171.8	0	0	0	0	111.6	Y191 R210 A227	Y191-S225 PolarHBondContact N-O 3.45Å; Y191-S225 PolarHBondContact O-N 3.37Å; R210-S225 WeakPolarHBondContact O-CB 3.39Å; R210-S225 PolarHBondContact O-OG 3.06Å; S225-A227 PolarHBondContact O-N 3.29Å; S225-A227 PolarHBondContact OG-N 2.81Å; S225-A227 VanDerWaalsContact OG-N 3.09Å; S225-A227 PolarHBondContact OG-O 3.16Å
226	P	95.4	Very high	96.7	Very high	71 Å²	71	34.9 Å²	34.9	46%	0.461	20%	0.198	S	C	.	.	S	Bend	trans	-71.9	-13.2	165.5	31.8	-36.4	0	0	0	113.1
227	A	94.8	Very high	96.7	Very high	18 Å²	18	32 Å²	32	15%	0.149	18%	0.183	C	C	.	.			trans	-116.3	117.3	-178.5	0	0	0	0	0	110.8	S225 S229 A230 L231	S225-A227 PolarHBondContact O-N 3.29Å; S225-A227 PolarHBondContact OG-N 2.81Å; S225-A227 VanDerWaalsContact OG-N 3.09Å; S225-A227 PolarHBondContact OG-O 3.16Å; A227-S229 VanDerWaalsContact C-N 3.32Å; A227-S229 PolarHBondContact O-N 2.64Å; A227-A230 HydrophobicContact CB-CB 3.97Å; A227-A230 PolarHBondContact O-N 2.83Å; A227-L231 PolarHBondContact O-N 3.23Å
228	L	94.3	Very high	96.8	Very high	37 Å²	37	29.9 Å²	29.9	19%	0.194	16%	0.161	C	C	.	.	H	α-helix	trans	-59.8	-42.1	-178.4	-176.6	63.9	0	0	0	112.5	L183 L185 Y191 L231 N232	L183-L228 HydrophobicContact CB-CD1 4.02Å; L183-L228 HydrophobicContact CD2-CD1 3.83Å; L183-L228 HydrophobicContact CG-CD1 3.99Å; L183-L228 WeakPolarHBondContact O-CD1 3.44Å; L185-L228 WeakPolarHBondContact O-CD2 3.27Å; Y191-L228 HydrophobicContact CD1-CD1 3.83Å; Y191-L228 HydrophobicContact CD2-CB 4.05Å; Y191-L228 HydrophobicContact CD2-CD1 4.39Å; Y191-L228 HydrophobicContact CE1-CB 4.41Å; Y191-L228 HydrophobicContact CE1-CD1 3.96Å; Y191-L228 HydrophobicContact CE2-CB 3.72Å; Y191-L228 HydrophobicContact CG-CD1 4.02Å; L228-L231 PolarHBondContact O-N 3.13Å; L228-N232 WeakPolarHBondContact O-CB 2.92Å; L228-N232 PolarHBondContact O-N 2.82Å
229	S	94.4	Very high	96.8	Very high	55 Å²	55	24.2 Å²	24.2	39%	0.385	14%	0.135	S	C	.	.	H	α-helix	trans	-64.2	-40.9	-179.8	58.6	0	0	0	0	112.1	I73 A227 N232 R233	I73-S229 WeakPolarHBondContact CD1-O 3.33Å; A227-S229 VanDerWaalsContact C-N 3.32Å; A227-S229 PolarHBondContact O-N 2.64Å; S229-N232 PolarHBondContact O-N 2.7Å; S229-R233 WeakPolarHBondContact O-CB 3.32Å; S229-R233 PolarHBondContact O-N 3.21Å
230	A	95.6	Very high	96.8	Very high	8 Å²	8	19.5 Å²	19.5	7%	0.066	11%	0.114	C	C	.	.	H	α-helix	trans	-64.8	-41.9	174	0	0	0	0	0	111.8	V208 V211 A227 R233 Q234	V208-A230 HydrophobicContact CG1-CB 4.23Å; V211-A230 HydrophobicContact CG2-CB 3.94Å; V211-A230 WeakPolarHBondContact CG2-O 3.35Å; A227-A230 HydrophobicContact CB-CB 3.97Å; A227-A230 PolarHBondContact O-N 2.83Å; A230-R233 PolarHBondContact O-N 3.38Å; A230-Q234 WeakPolarHBondContact O-CB 3.26Å; A230-Q234 PolarHBondContact O-N 2.92Å
231	L	96.6	Very high	96.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.7	-47.2	175.1	-177.2	63.7	0	0	0	111.9	L183 Y191 V193 V211 L223 A227 L228 R233 Q234 L235	L183-L231 HydrophobicContact CD2-CD2 3.91Å; Y191-L231 VanDerWaalsContact CB-CD2 3.48Å; V193-L231 HydrophobicContact CG1-CD2 4.27Å; V193-L231 HydrophobicContact CG2-CD1 4.17Å; V193-L231 HydrophobicContact CG2-CD2 4.39Å; V211-L231 HydrophobicContact CG1-CD1 4.14Å; L223-L231 HydrophobicContact CB-CD1 3.77Å; A227-L231 PolarHBondContact O-N 3.23Å; L228-L231 PolarHBondContact O-N 3.13Å; L231-R233 VanDerWaalsContact C-N 3.32Å; L231-R233 PolarHBondContact O-N 2.98Å; L231-Q234 WeakPolarHBondContact O-CB 3.44Å; L231-Q234 PolarHBondContact O-N 2.92Å; L231-Q234 VanDerWaalsContact O-N 3.13Å; L231-L235 HydrophobicContact CG-CD1 4.46Å; L231-L235 WeakPolarHBondContact O-CG 3.49Å; L231-L235 PolarHBondContact O-N 3.25Å
232	N	95.6	Very high	96.7	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-64.8	-37.6	179	-77	-21.7	0	0	0	112	Y70 L183 L228 S229 Q234 L235 Q236	Y70-N232 HydrophobicContact CD2-CB 3.99Å; Y70-N232 HydrophobicContact CE1-CB 4.33Å; Y70-N232 HydrophobicContact CE2-CB 3.51Å; Y70-N232 PolarHBondContact OH-ND2 3.17Å; Y70-N232 VanDerWaalsContact OH-ND2 3.1Å; L183-N232 PolarHBondContact N-OD1 3.4Å; L183-N232 PolarHBondContact O-ND2 2.85Å; L183-N232 PolarHBondContact O-OD1 3.47Å; L228-N232 WeakPolarHBondContact O-CB 2.92Å; L228-N232 PolarHBondContact O-N 2.82Å; S229-N232 PolarHBondContact O-N 2.7Å; N232-Q234 VanDerWaalsContact C-N 3.35Å; N232-L235 PolarHBondContact O-N 2.85Å; N232-Q236 PolarHBondContact O-N 2.93Å
233	R	96.3	Very high	96.6	Very high	22 Å²	22	19.2 Å²	19.2	8%	0.083	12%	0.117	C	C	.	.	H	α-helix	trans	-60.6	-44	170.1	-176.4	58.4	159.7	177	-8.5	111.7	Y70 S71 I73 Y75 V208 S229 A230 L231 L235 Q236 F237	Y70-R233 WeakPolarHBondContact O-CD 3.45Å; Y70-R233 PolarHBondContact O-NE 3.15Å; Y70-R233 VanDerWaalsContact O-NE 3.14Å; Y70-R233 PolarHBondContact O-NH1 3.18Å; S71-R233 PolarHBondContact O-NH2 3.33Å; I73-R233 HydrophobicContact CB-CB 4.21Å; I73-R233 HydrophobicContact CB-CG 3.83Å; I73-R233 HydrophobicContact CD1-CB 4.21Å; I73-R233 HydrophobicContact CG2-CB 4.1Å; I73-R233 HydrophobicContact CG2-CG 3.81Å; I73-R233 PolarHBondContact O-NE 2.82Å; I73-R233 PolarHBondContact O-NH2 3.3Å; Y75-R233 VanDerWaalsContact CE1-NH2 3.3Å; V208-R233 HydrophobicContact CG1-CB 4.31Å; V208-R233 HydrophobicContact CG1-CG 4.19Å; V208-R233 HydrophobicContact CG2-CB 4.23Å; V208-R233 HydrophobicContact CG2-CG 3.72Å; S229-R233 WeakPolarHBondContact O-CB 3.32Å; S229-R233 PolarHBondContact O-N 3.21Å; A230-R233 PolarHBondContact O-N 3.38Å; L231-R233 VanDerWaalsContact C-N 3.32Å; L231-R233 PolarHBondContact O-N 2.98Å; R233-L235 VanDerWaalsContact C-N 3.3Å; R233-L235 PolarHBondContact O-N 3.34Å; R233-Q236 VanDerWaalsContact CD-OE1 3.22Å; R233-Q236 WeakPolarHBondContact O-CB 3.3Å; R233-Q236 PolarHBondContact O-N 3.43Å; R233-F237 HydrophobicContact CG-CE2 4.08Å; R233-F237 VanDerWaalsContact O-CD2 3.22Å; R233-F237 WeakPolarHBondContact O-CD2 3.44Å; R233-F237 WeakPolarHBondContact O-CE2 3.33Å
234	Q	97.5	Very high	96.2	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-63.4	-36.2	177.5	-178.3	63.8	77.8	0	0	112.4	A206 V208 V211 V213 L223 A230 L231 N232 Q236 F237	A206-Q234 PolarHBondContact O-NE2 2.79Å; V208-Q234 HydrophobicContact CB-CB 4.17Å; V208-Q234 HydrophobicContact CG2-CB 3.99Å; V211-Q234 HydrophobicContact CB-CB 4.22Å; V211-Q234 HydrophobicContact CB-CG 4.22Å; V211-Q234 HydrophobicContact CG1-CB 3.92Å; V211-Q234 HydrophobicContact CG1-CG 3.72Å; V211-Q234 HydrophobicContact CG2-CB 3.98Å; V213-Q234 HydrophobicContact CG2-CG 4.24Å; L223-Q234 HydrophobicContact CD2-CB 4.5Å; L223-Q234 HydrophobicContact CD2-CG 3.51Å; A230-Q234 WeakPolarHBondContact O-CB 3.26Å; A230-Q234 PolarHBondContact O-N 2.92Å; L231-Q234 WeakPolarHBondContact O-CB 3.44Å; L231-Q234 PolarHBondContact O-N 2.92Å; L231-Q234 VanDerWaalsContact O-N 3.13Å; N232-Q234 VanDerWaalsContact C-N 3.35Å; Q234-Q236 VanDerWaalsContact C-N 3.27Å; Q234-Q236 PolarHBondContact O-N 2.87Å; Q234-F237 PolarHBondContact O-N 2.91Å; Q234-F237 VanDerWaalsContact O-N 3.1Å
235	L	96.8	Very high	95.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64	-28.4	178.2	-75.5	174	0	0	0	113.3	L181 V193 L223 L231 N232 R233 F237 V238 F255	L181-L235 HydrophobicContact CB-CB 4Å; L181-L235 HydrophobicContact CB-CD2 4.32Å; V193-L235 HydrophobicContact CG2-CD1 4.3Å; V193-L235 HydrophobicContact CG2-CD2 3.91Å; V193-L235 HydrophobicContact CG2-CG 4.48Å; L223-L235 HydrophobicContact CD1-CD2 4.37Å; L223-L235 HydrophobicContact CD2-CD2 4.39Å; L231-L235 HydrophobicContact CG-CD1 4.46Å; L231-L235 WeakPolarHBondContact O-CG 3.49Å; L231-L235 PolarHBondContact O-N 3.25Å; N232-L235 PolarHBondContact O-N 2.85Å; R233-L235 VanDerWaalsContact C-N 3.3Å; R233-L235 PolarHBondContact O-N 3.34Å; L235-F237 PolarHBondContact O-N 3.08Å; L235-V238 HydrophobicContact CD2-CG2 4.06Å; L235-V238 PolarHBondContact O-N 3.24Å; L235-F255 HydrophobicContact CD1-CZ 4.36Å
236	Q	95.7	Very high	95.4	Very high	33 Å²	33	31.2 Å²	31.2	15%	0.154	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.5	173.8	-66.9	176.8	-27.9	0	0	113.3	M67 D69 I177 N232 R233 Q234	M67-Q236 PolarHBondContact O-NE2 3.19Å; D69-Q236 PolarHBondContact O-NE2 2.94Å; I177-Q236 VanDerWaalsContact CG2-O 3.24Å; I177-Q236 WeakPolarHBondContact CG2-O 3.12Å; N232-Q236 PolarHBondContact O-N 2.93Å; R233-Q236 VanDerWaalsContact CD-OE1 3.22Å; R233-Q236 WeakPolarHBondContact O-CB 3.3Å; R233-Q236 PolarHBondContact O-N 3.43Å; Q234-Q236 VanDerWaalsContact C-N 3.27Å; Q234-Q236 PolarHBondContact O-N 2.87Å
237	F	97	Very high	94.8	Very high	24 Å²	24	31.7 Å²	31.7	11%	0.105	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	2	-178.7	-55.8	-61.8	0	0	0	113.5	Y75 V204 A205 A206 V208 R233 Q234 L235 T239	Y75-F237 HydrophobicContact CD1-CE2 4.04Å; Y75-F237 AromaticContact CD1-CZ 3.55Å; Y75-F237 HydrophobicContact CD1-CZ 3.55Å; Y75-F237 HydrophobicContact CD2-CE1 4.34Å; Y75-F237 HydrophobicContact CD2-CE2 4.37Å; Y75-F237 AromaticContact CD2-CZ 3.91Å; Y75-F237 HydrophobicContact CD2-CZ 3.91Å; Y75-F237 AromaticContact CE1-CZ 3.83Å; Y75-F237 HydrophobicContact CE1-CZ 3.83Å; Y75-F237 HydrophobicContact CE2-CE1 4.29Å; Y75-F237 HydrophobicContact CE2-CZ 4.15Å; Y75-F237 HydrophobicContact CG-CE1 4.44Å; Y75-F237 AromaticContact CG-CE2 3.83Å; Y75-F237 HydrophobicContact CG-CE2 3.83Å; Y75-F237 AromaticContact CG-CZ 3.58Å; Y75-F237 HydrophobicContact CG-CZ 3.58Å; V204-F237 CarbonylContact C-O 3.45Å; V204-F237 VanDerWaalsContact CA-O 3.27Å; V204-F237 WeakPolarHBondContact CA-O 3.38Å; A205-F237 HydrophobicContact CB-CB 4.49Å; A205-F237 PolarHBondContact N-O 2.72Å; A206-F237 HydrophobicContact CB-CB 4.22Å; A206-F237 HydrophobicContact CB-CD1 3.89Å; A206-F237 HydrophobicContact CB-CD2 3.93Å; A206-F237 HydrophobicContact CB-CE1 4.2Å; A206-F237 HydrophobicContact CB-CE2 4.24Å; A206-F237 HydrophobicContact CB-CG 3.75Å; A206-F237 HydrophobicContact CB-CZ 4.37Å; V208-F237 HydrophobicContact CG2-CD2 4.08Å; V208-F237 HydrophobicContact CG2-CE2 4Å; R233-F237 HydrophobicContact CG-CE2 4.08Å; R233-F237 VanDerWaalsContact O-CD2 3.22Å; R233-F237 WeakPolarHBondContact O-CD2 3.44Å; R233-F237 WeakPolarHBondContact O-CE2 3.33Å; Q234-F237 PolarHBondContact O-N 2.91Å; Q234-F237 VanDerWaalsContact O-N 3.1Å; L235-F237 PolarHBondContact O-N 3.08Å; F237-T239 PolarHBondContact O-N 3.24Å
238	V	98.1	Very high	94.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	124.5	177.6	173.6	0	0	0	0	109.6	I178 L181 F202 D203 V204 L223 L235	I178-V238 HydrophobicContact CD1-CG1 3.99Å; I178-V238 PolarHBondContact N-O 3Å; L181-V238 HydrophobicContact CD1-CB 3.93Å; L181-V238 HydrophobicContact CD1-CG1 4.01Å; L181-V238 HydrophobicContact CD1-CG2 4.49Å; F202-V238 HydrophobicContact CD1-CG1 4.36Å; D203-V238 WeakPolarHBondContact O-CA 3.27Å; V204-V238 HydrophobicContact CG1-CG2 4.23Å; L223-V238 HydrophobicContact CD1-CG2 4.42Å; L223-V238 HydrophobicContact CD2-CG2 3.98Å; L235-V238 HydrophobicContact CD2-CG2 4.06Å; L235-V238 PolarHBondContact O-N 3.24Å
239	T	98.2	Very high	94.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	149.4	178.4	59.5	0	0	0	0	111.3	V81 L85 T175 I176 I177 F202 D203 A205 F237	V81-T239 HydrophobicContact CG1-CG2 4.03Å; L85-T239 HydrophobicContact CD2-CG2 4.06Å; T175-T239 HydrophobicContact CG2-CG2 4.33Å; I176-T239 CarbonylContact O-C 3.58Å; I176-T239 WeakPolarHBondContact O-CA 3.47Å; I176-T239 WeakPolarHBondContact O-CB 3.36Å; I177-T239 HydrophobicContact CG1-CG2 4.09Å; F202-T239 VanDerWaalsContact CA-O 3.29Å; F202-T239 WeakPolarHBondContact CA-O 3.31Å; D203-T239 VanDerWaalsContact C-OG1 3.23Å; D203-T239 PolarHBondContact N-O 2.71Å; D203-T239 VanDerWaalsContact N-O 3.14Å; D203-T239 PolarHBondContact O-N 2.93Å; D203-T239 PolarHBondContact O-OG1 3.12Å; A205-T239 HydrophobicContact CB-CG2 3.85Å; F237-T239 PolarHBondContact O-N 3.24Å
240	Y	98.4	Very high	94.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.6	168.4	172.9	-90.4	0	0	0	109.2	V170 T175 I176 A197 G200 F202 N242 D251 I266	V170-Y240 HydrophobicContact CG1-CD1 4.13Å; V170-Y240 HydrophobicContact CG1-CE1 3.83Å; T175-Y240 CarbonylContact C-O 3.57Å; T175-Y240 VanDerWaalsContact CA-O 3.3Å; T175-Y240 WeakPolarHBondContact CA-O 3.48Å; I176-Y240 HydrophobicContact CG1-CD1 4.44Å; I176-Y240 PolarHBondContact N-O 3.45Å; I176-Y240 PolarHBondContact O-N 2.89Å; A197-Y240 HydrophobicContact CB-CE2 4.11Å; G200-Y240 VanDerWaalsContact CA-CE2 3.48Å; G200-Y240 WeakPolarHBondContact CA-OH 3.37Å; G200-Y240 PolarHBondContact N-OH 2.94Å; F202-Y240 HydrophobicContact CD1-CD2 4.35Å; F202-Y240 AromaticContact CE1-CD2 3.89Å; F202-Y240 HydrophobicContact CE1-CD2 3.89Å; F202-Y240 HydrophobicContact CZ-CD2 4.49Å; Y240-N242 HydrophobicContact CE1-CB 3.93Å; Y240-D251 HydrophobicContact CE2-CB 4.41Å; Y240-D251 VanDerWaalsContact CE2-OD2 3.26Å; Y240-D251 WeakPolarHBondContact CE2-OD2 3.25Å; Y240-D251 VanDerWaalsContact OH-CB 3.26Å; Y240-D251 WeakPolarHBondContact OH-CB 3.36Å; Y240-D251 PolarHBondContact OH-OD2 3.28Å; Y240-I266 HydrophobicContact CD1-CD1 3.87Å; Y240-I266 HydrophobicContact CD1-CG2 4.1Å; Y240-I266 HydrophobicContact CD2-CD1 3.63Å; Y240-I266 HydrophobicContact CE1-CD1 4.3Å; Y240-I266 HydrophobicContact CE1-CG2 4Å; Y240-I266 HydrophobicContact CE2-CD1 4.04Å; Y240-I266 HydrophobicContact CG-CD1 3.51Å
241	T	97.8	Very high	94.6	Very high	26 Å²	26	38.7 Å²	38.7	16%	0.16	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.3	172	-59.4	0	0	0	0	109.1	T175 G200 T201	T175-T241 VanDerWaalsContact CG2-OG1 3.31Å; T175-T241 WeakPolarHBondContact CG2-OG1 3.42Å; T175-T241 WeakPolarHBondContact OG1-CG2 3.4Å; T175-T241 PolarHBondContact OG1-OG1 3.09Å; G200-T241 CarbonylContact C-O 3.47Å; G200-T241 WeakPolarHBondContact CA-O 3.41Å; T201-T241 PolarHBondContact N-O 3.22Å; T201-T241 PolarHBondContact O-N 3.17Å
242	N	97.3	Very high	94.6	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.011	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	135.1	172	169.8	-101.6	0	0	0	110	V170 P172 L173 K174 Y240 I244 V268	V170-N242 HydrophobicContact CG1-CB 4.35Å; P172-N242 WeakPolarHBondContact CA-OD1 3.35Å; L173-N242 WeakPolarHBondContact CA-O 3.31Å; L173-N242 PolarHBondContact N-OD1 2.87Å; K174-N242 PolarHBondContact O-N 3.47Å; K174-N242 VanDerWaalsContact O-N 3.12Å; Y240-N242 HydrophobicContact CE1-CB 3.93Å; N242-I244 PolarHBondContact ND2-O 2.94Å; N242-I244 VanDerWaalsContact ND2-O 3.16Å; N242-I244 PolarHBondContact OD1-N 3.06Å; N242-I244 PolarHBondContact OD1-O 2.92Å; N242-V268 HydrophobicContact CB-CG1 4.33Å; N242-V268 HydrophobicContact CB-CG2 4.47Å
243	T	95.2	Very high	94.7	Very high	68 Å²	68	41.9 Å²	41.9	42%	0.417	22%	0.221	S	C	.	.			trans	-112.3	-2.5	177.6	71.3	0	0	0	0	113.9	M199 T201	M199-T243 PolarHBondContact O-OG1 3.2Å; T201-T243 HydrophobicContact CG2-CG2 3.93Å
244	I	90.2	Very high	94.8	Very high	72 Å²	72	43.4 Å²	43.4	37%	0.369	23%	0.229	S	C	.	.	S	Bend	trans	-118.7	116.8	-177.1	-61.8	177.9	0	0	0	109	M199 N242 H246	M199-I244 HydrophobicContact CB-CD1 3.98Å; M199-I244 HydrophobicContact CE-CB 3.88Å; M199-I244 HydrophobicContact CE-CD1 4.04Å; M199-I244 HydrophobicContact CE-CG1 4.5Å; M199-I244 HydrophobicContact CE-CG2 3.94Å; M199-I244 HydrophobicContact CG-CD1 4.19Å; N242-I244 PolarHBondContact ND2-O 2.94Å; N242-I244 VanDerWaalsContact ND2-O 3.16Å; N242-I244 PolarHBondContact OD1-N 3.06Å; N242-I244 PolarHBondContact OD1-O 2.92Å; I244-H246 PolarHBondContact O-N 3.07Å
245	F	90.5	Very high	94.7	Very high	131 Å²	131	43.3 Å²	43.3	58%	0.575	23%	0.229	S	C	*	.			trans	-70.6	115.2	171.4	-175.1	-88.7	0	0	0	110.5	P172 L173 H270	P172-F245 HydrophobicContact CB-CD2 3.57Å; P172-F245 HydrophobicContact CB-CE2 3.95Å; P172-F245 HydrophobicContact CB-CG 4.34Å; P172-F245 HydrophobicContact CG-CD2 4.37Å; P172-F245 HydrophobicContact CG-CE2 4.34Å; L173-F245 HydrophobicContact CD1-CB 4.38Å; L173-F245 HydrophobicContact CD1-CD2 4.4Å; L173-F245 HydrophobicContact CG-CB 4.39Å; F245-H270 AromaticContact CE2-NE2 3.9Å
246	H	87.7	Confident	94.7	Very high	84 Å²	84	48 Å²	48	39%	0.389	25%	0.249	S	C	.	.			trans	-147.7	134.6	168.9	-169.3	-79.9	0	0	0	109	P172 I244 M248 T249	P172-H246 WeakPolarHBondContact CG-O 3.12Å; I244-H246 PolarHBondContact O-N 3.07Å; H246-M248 VanDerWaalsContact C-N 3.29Å; H246-M248 PolarHBondContact CE1-O 3.03Å; H246-M248 PolarHBondContact ND1-N 3.23Å; H246-M248 PolarHBondContact ND1-O 3.45Å; H246-M248 PolarHBondContact O-N 3.32Å; H246-T249 HydrophobicContact CB-CG2 3.67Å
247	P	84	Confident	94.6	Very high	80 Å²	80	46.9 Å²	46.9	52%	0.519	25%	0.245	S	C	.	.	S	Bend	trans	-64.4	-31.5	-172.4	23.4	-34	0	0	0	113.7	G269 H270	P247-G269 WeakPolarHBondContact O-CA 3.39Å; P247-H270 PolarHBondContact O-N 3.32Å
248	M	89.1	Confident	94.2	Very high	163 Å²	163	53.8 Å²	53.8	80%	0.803	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.1	105.8	176.2	-178.2	176.1	177.4	0	0	111.3	H246 V268	H246-M248 VanDerWaalsContact C-N 3.29Å; H246-M248 PolarHBondContact CE1-O 3.03Å; H246-M248 PolarHBondContact ND1-N 3.23Å; H246-M248 PolarHBondContact ND1-O 3.45Å; H246-M248 PolarHBondContact O-N 3.32Å; M248-V268 CarbonylContact C-O 3.57Å; M248-V268 WeakPolarHBondContact CA-O 3.31Å
249	T	93.3	Very high	93.8	Very high	41 Å²	41	57.5 Å²	57.5	25%	0.252	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	-175	177.2	-170.5	0	0	0	0	110.2	M199 H246 V268	M199-T249 HydrophobicContact CE-CG2 3.57Å; M199-T249 HydrophobicContact SD-CG2 4.16Å; H246-T249 HydrophobicContact CB-CG2 3.67Å; T249-V268 HydrophobicContact CG2-CB 3.75Å; T249-V268 HydrophobicContact CG2-CG1 4.26Å; T249-V268 HydrophobicContact CG2-CG2 4.41Å; T249-V268 PolarHBondContact N-O 3.1Å; T249-V268 PolarHBondContact O-N 3.44Å; T249-V268 VanDerWaalsContact O-O 3.06Å
250	S	94.6	Very high	93.5	Very high	60 Å²	60	61.2 Å²	61.2	42%	0.42	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	134.3	174.9	-65.3	0	0	0	0	110.7	I266	S250-I266 CarbonylContact C-O 3.54Å; S250-I266 VanDerWaalsContact CA-O 3.31Å; S250-I266 WeakPolarHBondContact CA-O 3.24Å
251	D	96.4	Very high	93.3	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.011	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	138.9	171.5	-161.1	-4.4	0	0	0	109.6	K198 M199 G200 Y240 T265 I266	K198-D251 WeakPolarHBondContact CB-OD1 3.41Å; K198-D251 PolarHBondContact N-OD1 2.75Å; M199-D251 WeakPolarHBondContact CA-OD2 3.26Å; M199-D251 HydrophobicContact CB-CB 4.11Å; M199-D251 VanDerWaalsContact CB-OD2 3.27Å; M199-D251 WeakPolarHBondContact CB-OD2 3.37Å; M199-D251 HydrophobicContact CG-CB 4.14Å; M199-D251 VanDerWaalsContact N-CG 3.32Å; M199-D251 PolarHBondContact N-OD1 2.83Å; M199-D251 VanDerWaalsContact N-OD1 3.13Å; M199-D251 PolarHBondContact N-OD2 2.85Å; M199-D251 HydrophobicContact SD-CB 4.09Å; G200-D251 PolarHBondContact N-OD2 3.28Å; Y240-D251 HydrophobicContact CE2-CB 4.41Å; Y240-D251 VanDerWaalsContact CE2-OD2 3.26Å; Y240-D251 WeakPolarHBondContact CE2-OD2 3.25Å; Y240-D251 VanDerWaalsContact OH-CB 3.26Å; Y240-D251 WeakPolarHBondContact OH-CB 3.36Å; Y240-D251 PolarHBondContact OH-OD2 3.28Å; D251-T265 CarbonylContact O-C 3.53Å; D251-T265 VanDerWaalsContact O-CA 3.27Å; D251-T265 WeakPolarHBondContact O-CA 3.35Å; D251-I266 PolarHBondContact N-O 3.25Å; D251-I266 PolarHBondContact O-N 3.31Å
252	L	96.6	Very high	93.2	Very high	71 Å²	71	65.5 Å²	65.5	37%	0.372	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	112.7	175.8	-176.9	68.7	0	0	0	108.4	F263 T265	L252-F263 HydrophobicContact CD1-CB 4.07Å; L252-F263 HydrophobicContact CD2-CD1 4.44Å; L252-F263 HydrophobicContact CG-CD1 4.4Å; L252-T265 HydrophobicContact CD1-CG2 3.97Å
253	V	97.7	Very high	93.1	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125.8	178.9	179.7	0	0	0	0	109.7	L195 T196 A197 F202 F263 F264 I266	L195-V253 HydrophobicContact CB-CG1 4.45Å; L195-V253 HydrophobicContact CD2-CG1 4.18Å; T196-V253 CarbonylContact O-C 3.57Å; T196-V253 WeakPolarHBondContact O-CA 3.48Å; A197-V253 HydrophobicContact CB-CG2 4.33Å; F202-V253 HydrophobicContact CE1-CG1 4.29Å; F202-V253 HydrophobicContact CZ-CG1 3.74Å; F202-V253 HydrophobicContact CZ-CG2 4.2Å; V253-F263 VanDerWaalsContact O-CA 3.29Å; V253-F263 WeakPolarHBondContact O-CA 3.48Å; V253-F264 HydrophobicContact CB-CD1 4.25Å; V253-F264 HydrophobicContact CB-CD2 4.16Å; V253-F264 HydrophobicContact CB-CE1 3.88Å; V253-F264 HydrophobicContact CB-CE2 3.78Å; V253-F264 HydrophobicContact CB-CG 4.38Å; V253-F264 HydrophobicContact CB-CZ 3.64Å; V253-F264 HydrophobicContact CG1-CD1 4.33Å; V253-F264 HydrophobicContact CG1-CE1 3.55Å; V253-F264 HydrophobicContact CG1-CE2 4.06Å; V253-F264 HydrophobicContact CG1-CZ 3.38Å; V253-F264 HydrophobicContact CG2-CE2 4.04Å; V253-F264 HydrophobicContact CG2-CZ 4.22Å; V253-F264 PolarHBondContact N-O 3.11Å; V253-F264 PolarHBondContact O-N 2.9Å; V253-I266 HydrophobicContact CG2-CD1 3.85Å; V253-I266 HydrophobicContact CG2-CG1 4.17Å
254	Q	97.8	Very high	93.1	Very high	53 Å²	53	67.1 Å²	67.1	25%	0.248	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.2	167.4	-176.6	179.6	53	0	0	109.2	L195 T196 F263	L195-Q254 CarbonylContact C-O 3.32Å; L195-Q254 VanDerWaalsContact CA-O 3.25Å; L195-Q254 WeakPolarHBondContact CA-O 3.45Å; T196-Q254 PolarHBondContact N-O 3.42Å; T196-Q254 PolarHBondContact O-N 3.04Å; Q254-F263 HydrophobicContact CB-CD1 3.9Å; Q254-F263 HydrophobicContact CB-CE1 3.69Å; Q254-F263 HydrophobicContact CG-CD1 4.13Å; Q254-F263 HydrophobicContact CG-CE1 3.61Å; Q254-F263 HydrophobicContact CG-CZ 4.08Å
255	F	97	Very high	93.4	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.9	170.7	-174.5	-149.9	0	0	0	109.2	L161 Q162 Y163 L181 V193 N194 L195 L235 Q261 S262 F264	L161-F255 HydrophobicContact CB-CD1 3.74Å; L161-F255 HydrophobicContact CB-CE1 3.78Å; L161-F255 HydrophobicContact CD1-CD1 4.18Å; L161-F255 HydrophobicContact CD1-CG 4.36Å; L161-F255 VanDerWaalsContact CD1-O 3.25Å; L161-F255 WeakPolarHBondContact CD1-O 3.48Å; L161-F255 HydrophobicContact CD2-CD1 3.81Å; L161-F255 HydrophobicContact CD2-CD2 4.36Å; L161-F255 HydrophobicContact CD2-CE1 3.55Å; L161-F255 HydrophobicContact CD2-CE2 4.18Å; L161-F255 HydrophobicContact CD2-CG 4.21Å; L161-F255 HydrophobicContact CD2-CZ 3.76Å; L161-F255 HydrophobicContact CG-CD1 4.12Å; L161-F255 HydrophobicContact CG-CE1 4.19Å; Q162-F255 WeakPolarHBondContact O-CE1 3.39Å; Y163-F255 HydrophobicContact CD1-CD1 4.3Å; Y163-F255 HydrophobicContact CG-CD1 4.48Å; L181-F255 HydrophobicContact CD2-CD1 4.26Å; L181-F255 HydrophobicContact CD2-CE1 4.18Å; L181-F255 HydrophobicContact CD2-CZ 4.43Å; V193-F255 HydrophobicContact CB-CE2 3.73Å; V193-F255 HydrophobicContact CB-CZ 4.34Å; V193-F255 HydrophobicContact CG1-CE2 4.15Å; V193-F255 HydrophobicContact CG1-CZ 4.29Å; V193-F255 HydrophobicContact CG2-CE2 4.21Å; N194-F255 CarbonylContact O-C 3.45Å; N194-F255 WeakPolarHBondContact O-CA 3.27Å; L195-F255 HydrophobicContact CD1-CD2 4.18Å; L195-F255 HydrophobicContact CD1-CE2 4.16Å; L195-F255 HydrophobicContact CD2-CD2 4.28Å; L195-F255 HydrophobicContact CG-CD2 3.79Å; L195-F255 HydrophobicContact CG-CE2 4.26Å; L235-F255 HydrophobicContact CD1-CZ 4.36Å; F255-Q261 CarbonylContact O-C 3.33Å; F255-Q261 WeakPolarHBondContact O-CA 3.29Å; F255-S262 PolarHBondContact N-O 3.4Å; F255-S262 PolarHBondContact O-N 3.37Å; F255-F264 HydrophobicContact CB-CE1 4.16Å
256	K	96.3	Very high	93.6	Very high	97 Å²	97	60.2 Å²	60.2	42%	0.422	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	141.9	-170.1	-178.2	177.7	178.9	177.9	0	112.1	V193 N194 H260	V193-K256 CarbonylContact C-O 3.54Å; V193-K256 VanDerWaalsContact CA-O 3.32Å; V193-K256 WeakPolarHBondContact CA-O 3Å; N194-K256 HydrophobicContact CB-CB 4.49Å; N194-K256 PolarHBondContact N-O 3.34Å; N194-K256 PolarHBondContact O-N 2.8Å; K256-H260 WeakPolarHBondContact CA-O 3.23Å; K256-H260 WeakPolarHBondContact CG-O 3.33Å
257	T	94.4	Very high	94	Very high	11 Å²	11	59.3 Å²	59.3	7%	0.067	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	-177.4	161.7	-169.8	0	0	0	0	109.6	P160 L161 L183 T192 G259 H260	P160-T257 HydrophobicContact CG-CG2 4.47Å; L161-T257 HydrophobicContact CD2-CG2 3.7Å; L161-T257 HydrophobicContact CG-CG2 4.1Å; L183-T257 HydrophobicContact CD1-CG2 3.88Å; T192-T257 WeakPolarHBondContact O-CB 3.34Å; T192-T257 PolarHBondContact O-OG1 2.73Å; T257-G259 PolarHBondContact O-N 2.59Å; T257-H260 HydrophobicContact CG2-CB 3.91Å; T257-H260 PolarHBondContact N-O 2.86Å; T257-H260 PolarHBondContact O-N 3.29Å; T257-H260 VanDerWaalsContact O-N 3.16Å
258	K	88.8	Confident	94.5	Very high	168 Å²	168	55.6 Å²	55.6	73%	0.73	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	116.7	-177.9	-171.3	175.1	179.6	175.4	0	110.6	H260	K258-H260 PolarHBondContact O-N 2.95Å; K258-H260 PolarHBondContact O-ND1 3.22Å
259	G	88.1	Confident	94.6	Very high	79 Å²	79	48.7 Å²	48.7	81%	0.814	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	-1.5	178	0	0	0	0	0	116	T257	T257-G259 PolarHBondContact O-N 2.59Å
260	H	92.4	Very high	94.3	Very high	77 Å²	77	52 Å²	52	36%	0.356	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	139.2	-175.3	-57	83.4	0	0	0	110.8	P160 L161 K256 T257 K258	P160-H260 VanDerWaalsContact CD-CD2 3.45Å; P160-H260 WeakPolarHBondContact CD-CD2 3.4Å; P160-H260 HydrophobicContact CG-CB 3.86Å; P160-H260 VanDerWaalsContact CG-CD2 3.42Å; P160-H260 WeakPolarHBondContact CG-CD2 3.37Å; L161-H260 HydrophobicContact CD1-CB 4.39Å; K256-H260 WeakPolarHBondContact CA-O 3.23Å; K256-H260 WeakPolarHBondContact CG-O 3.33Å; T257-H260 HydrophobicContact CG2-CB 3.91Å; T257-H260 PolarHBondContact N-O 2.86Å; T257-H260 PolarHBondContact O-N 3.29Å; T257-H260 VanDerWaalsContact O-N 3.16Å; K258-H260 PolarHBondContact O-N 2.95Å; K258-H260 PolarHBondContact O-ND1 3.22Å
261	Q	94.4	Very high	93.8	Very high	111 Å²	111	53.3 Å²	53.3	52%	0.519	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.7	176	63.7	-179	-13.1	0	0	110.2	F255 F263	F255-Q261 CarbonylContact O-C 3.33Å; F255-Q261 WeakPolarHBondContact O-CA 3.29Å; Q261-F263 HydrophobicContact CG-CE2 4.38Å
262	S	94.7	Very high	93.2	Very high	5 Å²	5	58.4 Å²	58.4	4%	0.035	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	157.4	178.5	-64.3	0	0	0	0	109.4	N159 Y163 F255	N159-S262 PolarHBondContact ND2-OG 2.76Å; Y163-S262 WeakPolarHBondContact CE1-OG 3.34Å; Y163-S262 VanDerWaalsContact CZ-CB 3.43Å; F255-S262 PolarHBondContact N-O 3.4Å; F255-S262 PolarHBondContact O-N 3.37Å
263	F	95.3	Very high	92.8	Very high	100 Å²	100	61 Å²	61	44%	0.439	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.2	176.7	-59.8	-90.2	0	0	0	109.7	L252 V253 Q254 Q261	L252-F263 HydrophobicContact CD1-CB 4.07Å; L252-F263 HydrophobicContact CD2-CD1 4.44Å; L252-F263 HydrophobicContact CG-CD1 4.4Å; V253-F263 VanDerWaalsContact O-CA 3.29Å; V253-F263 WeakPolarHBondContact O-CA 3.48Å; Q254-F263 HydrophobicContact CB-CD1 3.9Å; Q254-F263 HydrophobicContact CB-CE1 3.69Å; Q254-F263 HydrophobicContact CG-CD1 4.13Å; Q254-F263 HydrophobicContact CG-CE1 3.61Å; Q254-F263 HydrophobicContact CG-CZ 4.08Å; Q261-F263 HydrophobicContact CG-CE2 4.38Å
264	F	95.8	Very high	92.6	Very high	5 Å²	5	63.2 Å²	63.2	2%	0.022	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	162.4	170.9	63.2	-87.2	0	0	0	111.2	Y163 P164 I178 L181 L195 V253 F255 I266	Y163-F264 HydrophobicContact CD2-CB 4.02Å; Y163-F264 HydrophobicContact CD2-CD1 4.1Å; Y163-F264 HydrophobicContact CD2-CG 4.43Å; Y163-F264 HydrophobicContact CG-CD1 4.39Å; P164-F264 HydrophobicContact CG-CD2 3.99Å; P164-F264 HydrophobicContact CG-CE2 4.12Å; P164-F264 HydrophobicContact CG-CG 4.43Å; P164-F264 WeakPolarHBondContact O-CB 3.47Å; I178-F264 HydrophobicContact CD1-CZ 4.43Å; I178-F264 HydrophobicContact CG2-CE2 3.84Å; I178-F264 HydrophobicContact CG2-CZ 3.86Å; L181-F264 HydrophobicContact CD2-CE1 4.13Å; L181-F264 HydrophobicContact CD2-CZ 4.18Å; L195-F264 HydrophobicContact CD2-CE1 4.5Å; L195-F264 HydrophobicContact CD2-CZ 4.31Å; V253-F264 HydrophobicContact CB-CD1 4.25Å; V253-F264 HydrophobicContact CB-CD2 4.16Å; V253-F264 HydrophobicContact CB-CE1 3.88Å; V253-F264 HydrophobicContact CB-CE2 3.78Å; V253-F264 HydrophobicContact CB-CG 4.38Å; V253-F264 HydrophobicContact CB-CZ 3.64Å; V253-F264 HydrophobicContact CG1-CD1 4.33Å; V253-F264 HydrophobicContact CG1-CE1 3.55Å; V253-F264 HydrophobicContact CG1-CE2 4.06Å; V253-F264 HydrophobicContact CG1-CZ 3.38Å; V253-F264 HydrophobicContact CG2-CE2 4.04Å; V253-F264 HydrophobicContact CG2-CZ 4.22Å; V253-F264 PolarHBondContact N-O 3.11Å; V253-F264 PolarHBondContact O-N 2.9Å; F255-F264 HydrophobicContact CB-CE1 4.16Å; F264-I266 HydrophobicContact CD2-CG1 4.26Å; F264-I266 HydrophobicContact CE2-CD1 4.11Å; F264-I266 HydrophobicContact CE2-CG1 3.97Å
265	T	96.1	Very high	92.2	Very high	57 Å²	57	67.3 Å²	67.3	35%	0.35	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	142.1	-178.5	55.8	0	0	0	0	111.2	D251 L252	D251-T265 CarbonylContact O-C 3.53Å; D251-T265 VanDerWaalsContact O-CA 3.27Å; D251-T265 WeakPolarHBondContact O-CA 3.35Å; L252-T265 HydrophobicContact CD1-CG2 3.97Å
266	I	96.1	Very high	92	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	112.1	167.8	-60.9	179.8	0	0	0	106.5	V168 V170 I176 I178 Y240 S250 D251 V253 F264 V268	V168-I266 HydrophobicContact CB-CG1 4.35Å; V168-I266 HydrophobicContact CG1-CB 4.45Å; V168-I266 HydrophobicContact CG1-CG1 3.98Å; V168-I266 HydrophobicContact CG1-CG2 4.11Å; V170-I266 HydrophobicContact CB-CG2 4.34Å; V170-I266 HydrophobicContact CG1-CG2 3.6Å; I176-I266 HydrophobicContact CD1-CG2 4.28Å; I178-I266 HydrophobicContact CD1-CD1 4.47Å; Y240-I266 HydrophobicContact CD1-CD1 3.87Å; Y240-I266 HydrophobicContact CD1-CG2 4.1Å; Y240-I266 HydrophobicContact CD2-CD1 3.63Å; Y240-I266 HydrophobicContact CE1-CD1 4.3Å; Y240-I266 HydrophobicContact CE1-CG2 4Å; Y240-I266 HydrophobicContact CE2-CD1 4.04Å; Y240-I266 HydrophobicContact CG-CD1 3.51Å; S250-I266 CarbonylContact C-O 3.54Å; S250-I266 VanDerWaalsContact CA-O 3.31Å; S250-I266 WeakPolarHBondContact CA-O 3.24Å; D251-I266 PolarHBondContact N-O 3.25Å; D251-I266 PolarHBondContact O-N 3.31Å; V253-I266 HydrophobicContact CG2-CD1 3.85Å; V253-I266 HydrophobicContact CG2-CG1 4.17Å; F264-I266 HydrophobicContact CD2-CG1 4.26Å; F264-I266 HydrophobicContact CE2-CD1 4.11Å; F264-I266 HydrophobicContact CE2-CG1 3.97Å; I266-V268 PolarHBondContact O-N 2.96Å
267	K	94.9	Very high	91.6	Very high	66 Å²	66	67.4 Å²	67.4	29%	0.287	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	119.6	176.7	-63.2	-175.8	-171.7	178.3	0	108.6	A149 D150 V168 K169 V170	A149-K267 PolarHBondContact O-NZ 3.19Å; D150-K267 IonicContact OD1-NZ 3.23Å; D150-K267 PolarHBondContact OD1-NZ 3.17Å; V168-K267 PolarHBondContact O-N 2.67Å; K169-K267 CarbonylContact C-O 3.56Å; K169-K267 VanDerWaalsContact CA-O 3.29Å; K169-K267 WeakPolarHBondContact CA-O 3.35Å; K169-K267 HydrophobicContact CG-CB 4.18Å; V170-K267 PolarHBondContact N-O 3.47Å
268	V	94.2	Very high	91.1	Very high	2 Å²	2	71.8 Å²	71.8	1%	0.012	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	121.3	175.7	-178.5	0	0	0	0	108.1	V170 P172 N242 M248 T249 I266	V170-V268 HydrophobicContact CG1-CB 4.37Å; V170-V268 HydrophobicContact CG1-CG2 3.8Å; V170-V268 WeakPolarHBondContact O-CA 3.48Å; P172-V268 HydrophobicContact CG-CG1 4.26Å; N242-V268 HydrophobicContact CB-CG1 4.33Å; N242-V268 HydrophobicContact CB-CG2 4.47Å; M248-V268 CarbonylContact C-O 3.57Å; M248-V268 WeakPolarHBondContact CA-O 3.31Å; T249-V268 HydrophobicContact CG2-CB 3.75Å; T249-V268 HydrophobicContact CG2-CG1 4.26Å; T249-V268 HydrophobicContact CG2-CG2 4.41Å; T249-V268 PolarHBondContact N-O 3.1Å; T249-V268 PolarHBondContact O-N 3.44Å; T249-V268 VanDerWaalsContact O-O 3.06Å; I266-V268 PolarHBondContact O-N 2.96Å
269	G	91.6	Very high	90.4	Very high	18 Å²	18	64.7 Å²	64.7	19%	0.186	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.4	167.5	176.4	0	0	0	0	0	113.9	V170 P247	V170-G269 PolarHBondContact O-N 3.41Å; P247-G269 WeakPolarHBondContact O-CA 3.39Å
270	H	87.9	Confident	89.3	Confident	109 Å²	109	62.5 Å²	62.5	51%	0.505	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-76.9	142.3	173.6	-71.5	-75.1	0	0	0	110.8	F245 P247	F245-H270 AromaticContact CE2-NE2 3.9Å; P247-H270 PolarHBondContact O-N 3.32Å
271	S	82.8	Confident	87.6	Confident	88 Å²	88	65.7 Å²	65.7	62%	0.615	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-64.9	144.2	164.5	-54	0	0	0	0	109.5	V273	S271-V273 PolarHBondContact O-N 2.84Å
272	V	84.7	Confident	85.4	Confident	110 Å²	110	61.7 Å²	61.7	67%	0.667	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-61.1	123	175.2	179.9	0	0	0	0	108.8	F141 P274	F141-V272 HydrophobicContact CE2-CG1 4.26Å; F141-V272 HydrophobicContact CZ-CB 4.21Å; F141-V272 HydrophobicContact CZ-CG1 3.96Å; V272-P274 WeakPolarHBondContact O-CD 3.4Å
273	V	88.8	Confident	83.1	Confident	124 Å²	124	66.8 Å²	66.8	75%	0.752	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-72.1	121	174.4	-179.1	0	0	0	0	108.1	S271	S271-V273 PolarHBondContact O-N 2.84Å
274	P	92	Very high	81	Confident	48 Å²	48	64 Å²	64	31%	0.312	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-69	137.1	-175.6	27.7	-34.7	0	0	0	111.5	Y138 F141 V272 L276	Y138-P274 HydrophobicContact CD2-CB 4.19Å; Y138-P274 HydrophobicContact CD2-CG 4.15Å; Y138-P274 HydrophobicContact CE2-CB 4.31Å; Y138-P274 HydrophobicContact CE2-CG 4.04Å; F141-P274 HydrophobicContact CD1-CB 3.87Å; F141-P274 HydrophobicContact CD2-CB 4.22Å; F141-P274 HydrophobicContact CE1-CB 3.9Å; F141-P274 HydrophobicContact CE2-CB 4.24Å; F141-P274 HydrophobicContact CG-CB 4.04Å; F141-P274 HydrophobicContact CZ-CB 4.09Å; V272-P274 WeakPolarHBondContact O-CD 3.4Å; P274-L276 HydrophobicContact CB-CD2 3.88Å; P274-L276 HydrophobicContact CB-CG 4.17Å
275	K	90.6	Very high	79	Confident	139 Å²	139	72 Å²	72	60%	0.604	41%	0.407	S	S	*	.			trans	-99.3	94	169.1	-67	-178.9	-178.5	176.1	0	108.8	D455	K275-D455 HydrophobicContact CD-CB 3.97Å
276	L	91.8	Very high	78.1	Confident	58 Å²	58	73.3 Å²	73.3	30%	0.304	41%	0.413	S	S	.	.			trans	-94.2	139.9	-179.5	-51.2	-175.7	0	0	0	109.6	R134 E137 F141 P274	R134-L276 HydrophobicContact CG-CD1 4.05Å; E137-L276 HydrophobicContact CB-CB 4.22Å; E137-L276 HydrophobicContact CB-CD2 4.13Å; F141-L276 HydrophobicContact CB-CD2 4.22Å; P274-L276 HydrophobicContact CB-CD2 3.88Å; P274-L276 HydrophobicContact CB-CG 4.17Å
277	Y	88.9	Confident	77.8	Confident	40 Å²	40	73.6 Å²	73.6	16%	0.157	41%	0.414	C	S	.	.			trans	-101.4	129	179.4	-69.4	-94.8	0	0	0	110.1	S279 K362	Y277-S279 PolarHBondContact O-N 3.02Å; Y277-K362 HydrophobicContact CD1-CB 3.9Å; Y277-K362 HydrophobicContact CD2-CB 3.91Å; Y277-K362 HydrophobicContact CD2-CD 4.21Å; Y277-K362 HydrophobicContact CD2-CG 3.62Å; Y277-K362 VanDerWaalsContact CE1-CA 3.48Å; Y277-K362 HydrophobicContact CE1-CB 4.31Å; Y277-K362 HydrophobicContact CE2-CB 4.31Å; Y277-K362 HydrophobicContact CE2-CG 4Å; Y277-K362 HydrophobicContact CG-CB 3.68Å; Y277-K362 HydrophobicContact CG-CD 4.41Å; Y277-K362 HydrophobicContact CG-CG 3.9Å
278	N	84.5	Confident	77.7	Confident	104 Å²	104	72.4 Å²	72.4	56%	0.556	41%	0.412	S	S	*	.			trans	-93.4	80.2	172	-176	12.2	0	0	0	109.1	Q133 G280	Q133-N278 PolarHBondContact OE1-OD1 3.29Å; N278-G280 PolarHBondContact O-N 3.24Å
279	S	73.1	Confident	77.5	Confident	18 Å²	18	73.9 Å²	73.9	13%	0.126	42%	0.423	C	S	.	.			trans	-85.6	7.9	-176.9	-48.4	0	0	0	0	113.2	Y277 S282 S289 L290	Y277-S279 PolarHBondContact O-N 3.02Å; S279-S282 PolarHBondContact O-OG 2.64Å; S279-S289 WeakPolarHBondContact O-CB 3.46Å; S279-S289 PolarHBondContact O-OG 3.14Å; S279-L290 WeakPolarHBondContact OG-CD2 3.48Å
280	G	65.8	Low	77.7	Confident	34 Å²	34	73.5 Å²	73.5	35%	0.351	42%	0.416	S	S	.	.			trans	70.4	177.2	-169.4	0	0	0	0	0	113	Q133 N278 S282	Q133-G280 PolarHBondContact NE2-O 3.43Å; N278-G280 PolarHBondContact O-N 3.24Å; G280-S282 PolarHBondContact O-N 3.06Å
281	Q	55	Low	78.1	Confident	144 Å²	144	68.3 Å²	68.3	67%	0.673	39%	0.392	S	S	*	.	S	Bend	trans	-70.2	75.7	170.3	-75.3	-176.4	26.7	0	0	109.5	S129	S129-Q281 PolarHBondContact OG-NE2 3.14Å; S129-Q281 VanDerWaalsContact OG-NE2 3.12Å
282	S	48.4	Very low	78.9	Confident	26 Å²	26	64.1 Å²	64.1	18%	0.182	36%	0.363	C	S	.	.			trans	-107.2	96.9	169.1	50.7	0	0	0	0	107.9	S279 G280 G284 S289	S279-S282 PolarHBondContact O-OG 2.64Å; G280-S282 PolarHBondContact O-N 3.06Å; S282-G284 PolarHBondContact O-N 2.97Å; S282-S289 PolarHBondContact OG-OG 2.76Å
283	T	47.9	Very low	79.5	Confident	113 Å²	113	58.9 Å²	58.9	69%	0.693	33%	0.331	S	S	*	.			trans	-65.5	63.5	171.5	42.1	0	0	0	0	110.7	E285	T283-E285 WeakPolarHBondContact O-CG 3.1Å; T283-E285 PolarHBondContact O-N 3.23Å
284	G	49.9	Very low	80	Confident	41 Å²	41	53 Å²	53	42%	0.423	30%	0.295	S	S	.	.	S	Bend	trans	61.3	-13.5	178.9	0	0	0	0	0	116.7	S282	S282-G284 PolarHBondContact O-N 2.97Å
285	E	53.4	Low	80.3	Confident	172 Å²	172	50.7 Å²	50.7	80%	0.804	28%	0.281	S	S	*	.	S	Bend	trans	-88.7	-20.9	-173.7	-72.6	177.5	168.2	0	0	112.5	T283	T283-E285 WeakPolarHBondContact O-CG 3.1Å; T283-E285 PolarHBondContact O-N 3.23Å
286	N	77.3	Confident	80.6	Confident	86 Å²	86	45 Å²	45	46%	0.46	26%	0.256	S	S	.	.			trans	-106.3	74.2	179.2	-165.5	-6.2	0	0	0	111.9	T288 S289	N286-T288 PolarHBondContact O-N 3.18Å; N286-T288 VanDerWaalsContact O-N 3.12Å; N286-T288 WeakPolarHBondContact OD1-CB 3.44Å; N286-S289 PolarHBondContact O-N 2.76Å; N286-S289 PolarHBondContact O-OG 2.78Å
287	I	90.9	Very high	80.8	Confident	6 Å²	6	42.2 Å²	42.2	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-51.2	-31.8	177.8	-67.8	-67.3	0	0	0	113	S289 L290 V291 Y315 V318 L379 E380 V383	I287-S289 PolarHBondContact O-N 3.4Å; I287-L290 PolarHBondContact O-N 3.04Å; I287-V291 HydrophobicContact CG2-CB 3.95Å; I287-V291 HydrophobicContact CG2-CG2 3.92Å; I287-V291 PolarHBondContact O-N 3.48Å; I287-Y315 HydrophobicContact CG2-CD1 4.35Å; I287-Y315 HydrophobicContact CG2-CE1 4.47Å; I287-V318 HydrophobicContact CG2-CG2 3.94Å; I287-L379 HydrophobicContact CD1-CB 4.44Å; I287-L379 HydrophobicContact CG2-CB 4.04Å; I287-L379 HydrophobicContact CG2-CD1 4.01Å; I287-E380 HydrophobicContact CD1-CB 4.19Å; I287-E380 HydrophobicContact CD1-CG 3.84Å; I287-E380 HydrophobicContact CG1-CG 3.8Å; I287-V383 HydrophobicContact CD1-CB 4.43Å; I287-V383 HydrophobicContact CD1-CG2 3.93Å
288	T	91.8	Very high	81.1	Confident	41 Å²	41	40.9 Å²	40.9	25%	0.252	24%	0.236	S	C	.	.	H	α-helix	trans	-57.1	-32.9	-178.1	-58.8	0	0	0	0	113.7	N286 T317	N286-T288 PolarHBondContact O-N 3.18Å; N286-T288 VanDerWaalsContact O-N 3.12Å; N286-T288 WeakPolarHBondContact OD1-CB 3.44Å; T288-T317 WeakPolarHBondContact CG2-O 3.43Å; T288-T317 PolarHBondContact OG1-OG1 3.16Å
289	S	91.3	Very high	81.5	Confident	33 Å²	33	38 Å²	38	23%	0.231	22%	0.221	C	C	.	.	H	α-helix	trans	-80.9	-20.1	178	64.9	0	0	0	0	113.4	S279 S282 N286 I287	S279-S289 WeakPolarHBondContact O-CB 3.46Å; S279-S289 PolarHBondContact O-OG 3.14Å; S282-S289 PolarHBondContact OG-OG 2.76Å; N286-S289 PolarHBondContact O-N 2.76Å; N286-S289 PolarHBondContact O-OG 2.78Å; I287-S289 PolarHBondContact O-N 3.4Å
290	L	94	Very high	82.5	Confident	9 Å²	9	39.3 Å²	39.3	5%	0.047	22%	0.223	C	C	.	.	H	α-helix	trans	-103	-32.1	-171.1	-67.6	175	0	0	0	113.2	S279 I287 T361 K362 Y363 V383	S279-L290 WeakPolarHBondContact OG-CD2 3.48Å; I287-L290 PolarHBondContact O-N 3.04Å; L290-T361 WeakPolarHBondContact O-CB 3.42Å; L290-K362 HydrophobicContact CD2-CD 4.41Å; L290-K362 PolarHBondContact O-N 2.81Å; L290-Y363 HydrophobicContact CB-CD2 4.45Å; L290-Y363 WeakPolarHBondContact O-CB 3.45Å; L290-Y363 PolarHBondContact O-N 3.43Å; L290-V383 HydrophobicContact CD1-CG1 4.03Å
291	V	97.4	Very high	83.9	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	133.4	-170.1	-176.2	0	0	0	0	110.6	I287 Y363 L365 L379 V383 M451	I287-V291 HydrophobicContact CG2-CB 3.95Å; I287-V291 HydrophobicContact CG2-CG2 3.92Å; I287-V291 PolarHBondContact O-N 3.48Å; V291-Y363 WeakPolarHBondContact CA-O 3.42Å; V291-L365 HydrophobicContact CG1-CB 4.06Å; V291-L379 HydrophobicContact CG1-CD1 4.39Å; V291-V383 HydrophobicContact CG2-CG2 3.61Å; V291-M451 HydrophobicContact CB-CE 4.45Å; V291-M451 HydrophobicContact CG1-CE 3.87Å; V291-M451 HydrophobicContact CG2-CE 3.65Å; V291-M451 HydrophobicContact CG2-SD 4.06Å
292	T	98.6	Very high	85.7	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.7	163.1	-60.8	0	0	0	0	108.3	L319 I321 V359 T361 Y363 V364 L365	T292-L319 HydrophobicContact CG2-CB 4.16Å; T292-L319 HydrophobicContact CG2-CD2 4.07Å; T292-L319 HydrophobicContact CG2-CG 4.02Å; T292-I321 HydrophobicContact CG2-CB 4.45Å; T292-I321 HydrophobicContact CG2-CD1 3.65Å; T292-I321 HydrophobicContact CG2-CG1 3.72Å; T292-V359 HydrophobicContact CG2-CG1 4.4Å; T292-V359 HydrophobicContact CG2-CG2 3.94Å; T292-T361 WeakPolarHBondContact CB-OG1 3.45Å; T292-T361 PolarHBondContact N-OG1 3.33Å; T292-T361 VanDerWaalsContact OG1-CG2 3.26Å; T292-T361 WeakPolarHBondContact OG1-CG2 3.24Å; T292-T361 PolarHBondContact OG1-OG1 3.06Å; T292-Y363 PolarHBondContact N-O 2.89Å; T292-Y363 VanDerWaalsContact N-O 3.1Å; T292-V364 WeakPolarHBondContact O-CA 3.4Å; T292-L365 PolarHBondContact O-N 2.76Å
293	I	98.8	Very high	87.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.4	174.2	-60.8	171.1	0	0	0	107.9	I311 V318 L319 I320 I321 L365 V367 F373 L379	I293-I311 HydrophobicContact CD1-CD1 4.04Å; I293-I311 HydrophobicContact CD1-CG1 4.19Å; I293-I311 HydrophobicContact CD1-CG2 3.66Å; I293-I311 HydrophobicContact CG2-CD1 4.06Å; I293-V318 HydrophobicContact CD1-CG1 3.78Å; I293-V318 HydrophobicContact CG1-CG1 3.75Å; I293-L319 PolarHBondContact N-O 3.25Å; I293-I320 CarbonylContact O-C 3.42Å; I293-I320 WeakPolarHBondContact O-CA 3.34Å; I293-I321 PolarHBondContact O-N 2.87Å; I293-L365 HydrophobicContact CD1-CD2 4.36Å; I293-L365 HydrophobicContact CG1-CB 4.32Å; I293-L365 HydrophobicContact CG1-CD2 3.92Å; I293-L365 HydrophobicContact CG2-CD2 4.46Å; I293-V367 HydrophobicContact CG2-CG1 4.25Å; I293-V367 HydrophobicContact CG2-CG2 3.54Å; I293-F373 HydrophobicContact CD1-CE1 3.8Å; I293-F373 HydrophobicContact CD1-CZ 3.98Å; I293-L379 HydrophobicContact CD1-CD1 4.41Å
294	A	98.7	Very high	90.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.1	177.4	0	0	0	0	0	109.8	I321 A355 V364 L365 W366 V367	A294-I321 WeakPolarHBondContact CA-O 3.47Å; A294-A355 HydrophobicContact CB-CB 4Å; A294-V364 HydrophobicContact CB-CG2 3.65Å; A294-L365 PolarHBondContact N-O 3.35Å; A294-W366 HydrophobicContact CB-CE3 4.1Å; A294-W366 HydrophobicContact CB-CZ3 4.18Å; A294-V367 PolarHBondContact O-N 2.8Å; A294-V367 VanDerWaalsContact O-N 3.11Å
295	T	98.3	Very high	92.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	168	175.9	-165.4	0	0	0	0	111.3	L304 L307 I321 I322 A323 V367	T295-L304 HydrophobicContact CG2-CD1 3.91Å; T295-L307 HydrophobicContact CG2-CD2 4.28Å; T295-I321 PolarHBondContact N-O 3.22Å; T295-I322 HydrophobicContact CG2-CB 4.4Å; T295-I322 HydrophobicContact CG2-CG1 3.93Å; T295-I322 HydrophobicContact CG2-CG2 4.34Å; T295-A323 PolarHBondContact O-N 2.82Å; T295-V367 WeakPolarHBondContact CB-O 3.42Å; T295-V367 PolarHBondContact OG1-O 2.78Å
296	K	96.5	Very high	94.5	Very high	20 Å²	20	30.3 Å²	30.3	9%	0.087	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	131.6	176.1	-179.1	-82.9	-178.6	-172.4	0	109.2	F298 A323 D325 W366	K296-F298 VanDerWaalsContact NZ-CB 3.33Å; K296-A323 CarbonylContact C-O 3.6Å; K296-A323 VanDerWaalsContact CA-O 3.25Å; K296-A323 WeakPolarHBondContact CA-O 3.32Å; K296-A323 HydrophobicContact CB-CB 4.23Å; K296-A323 HydrophobicContact CG-CB 4.13Å; K296-D325 WeakPolarHBondContact CE-OD1 3.29Å; K296-D325 VanDerWaalsContact CE-OD2 3.31Å; K296-D325 WeakPolarHBondContact CE-OD2 3.28Å; K296-D325 IonicContact NZ-OD1 2.85Å; K296-D325 PolarHBondContact NZ-OD1 3.39Å; K296-D325 IonicContact NZ-OD2 2.7Å; K296-D325 PolarHBondContact NZ-OD2 3.49Å; K296-W366 HydrophobicContact CB-CH2 3.73Å; K296-W366 HydrophobicContact CB-CZ2 4.12Å
297	T	95.7	Very high	95.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	155.1	177.2	-164.3	0	0	0	0	113.1	Y301 L304 I322 A323 D324 D369	T297-Y301 HydrophobicContact CG2-CE1 4.29Å; T297-L304 HydrophobicContact CG2-CD2 3.68Å; T297-I322 HydrophobicContact CG2-CG2 4.07Å; T297-A323 PolarHBondContact N-O 3.35Å; T297-D324 HydrophobicContact CG2-CB 4.25Å; T297-D369 VanDerWaalsContact CA-OD2 3.31Å; T297-D369 WeakPolarHBondContact CA-OD2 3.29Å; T297-D369 WeakPolarHBondContact CB-OD2 3.37Å; T297-D369 PolarHBondContact OG1-OD2 3.37Å
298	F	95.1	Very high	95.9	Very high	11 Å²	11	26.7 Å²	26.7	5%	0.048	13%	0.131	C	C	.	.	S	Bend	trans	-157.6	117.9	169.9	-178.2	-108.9	0	0	0	109.8	K296 R300 D325 F344 Y511 F514	K296-F298 VanDerWaalsContact NZ-CB 3.33Å; F298-R300 WeakPolarHBondContact O-CG 3.45Å; F298-R300 PolarHBondContact O-N 2.9Å; F298-D325 WeakPolarHBondContact CB-OD1 3.37Å; F298-D325 WeakPolarHBondContact CD2-O 3.44Å; F298-D325 WeakPolarHBondContact CD2-OD1 3.47Å; F298-D325 WeakPolarHBondContact CE2-O 3.27Å; F298-F344 AromaticContact CE2-CD2 3.96Å; F298-F344 HydrophobicContact CE2-CD2 3.96Å; F298-F344 AromaticContact CE2-CE2 3.57Å; F298-F344 HydrophobicContact CE2-CE2 3.57Å; F298-F344 AromaticContact CZ-CE2 3.77Å; F298-F344 HydrophobicContact CZ-CE2 3.77Å; F298-F344 HydrophobicContact CZ-CZ 4.4Å; F298-Y511 HydrophobicContact CD1-CD2 4.08Å; F298-Y511 VanDerWaalsContact O-CD2 3.28Å; F298-Y511 WeakPolarHBondContact O-CD2 3.25Å; F298-F514 HydrophobicContact CD1-CB 4.5Å; F298-F514 HydrophobicContact CE1-CB 3.64Å; F298-F514 HydrophobicContact CE1-CD1 4.19Å; F298-F514 AromaticContact CE1-CD2 3.62Å; F298-F514 HydrophobicContact CE1-CD2 3.62Å; F298-F514 HydrophobicContact CE1-CE2 4.34Å; F298-F514 AromaticContact CE1-CG 3.54Å; F298-F514 HydrophobicContact CE1-CG 3.54Å; F298-F514 HydrophobicContact CZ-CB 4.37Å; F298-F514 HydrophobicContact CZ-CD1 4.09Å; F298-F514 AromaticContact CZ-CD2 3.72Å; F298-F514 HydrophobicContact CZ-CD2 3.72Å; F298-F514 HydrophobicContact CZ-CE1 4.3Å; F298-F514 AromaticContact CZ-CE2 3.99Å; F298-F514 HydrophobicContact CZ-CE2 3.99Å; F298-F514 AromaticContact CZ-CG 3.79Å; F298-F514 HydrophobicContact CZ-CG 3.79Å; F298-F514 HydrophobicContact CZ-CZ 4.27Å
299	L	94.1	Very high	96.2	Very high	44 Å²	44	29 Å²	29	23%	0.23	14%	0.142	C	C	.	.	S	Bend	trans	55	19.1	178.7	-57.5	176.1	0	0	0	115.1	N326 A510 F514	L299-N326 WeakPolarHBondContact CA-OD1 3.41Å; L299-N326 WeakPolarHBondContact CD2-OD1 3.5Å; L299-N326 PolarHBondContact N-OD1 2.91Å; L299-A510 HydrophobicContact CD1-CB 4.03Å; L299-F514 HydrophobicContact CD1-CD2 4.33Å
300	R	92.8	Very high	96.5	Very high	45 Å²	45	27.8 Å²	27.8	17%	0.17	13%	0.134	C	C	.	.			trans	-131.4	43.5	-173.7	-66	-166.8	-63.5	179.2	-8.6	113.1	F298 D302 K303 L304 D369 D370 Y511	F298-R300 WeakPolarHBondContact O-CG 3.45Å; F298-R300 PolarHBondContact O-N 2.9Å; R300-D302 PolarHBondContact O-N 3.13Å; R300-K303 HydrophobicContact CB-CB 4.22Å; R300-K303 HydrophobicContact CB-CG 4.36Å; R300-K303 PolarHBondContact O-N 3.1Å; R300-L304 PolarHBondContact O-N 3.04Å; R300-D369 IonicContact CZ-OD1 3.25Å; R300-D369 IonicContact CZ-OD2 3.24Å; R300-D369 IonicContact NE-OD1 3.89Å; R300-D369 PolarHBondContact NE-OD1 3.05Å; R300-D369 IonicContact NE-OD2 3.45Å; R300-D369 PolarHBondContact NE-OD2 3.35Å; R300-D369 IonicContact NH1-OD1 2.77Å; R300-D369 IonicContact NH2-OD1 3.05Å; R300-D369 PolarHBondContact NH2-OD1 3.01Å; R300-D369 IonicContact NH2-OD2 3.11Å; R300-D370 IonicContact CZ-OD2 2.73Å; R300-D370 IonicContact NH1-OD2 3.6Å; R300-D370 PolarHBondContact NH1-OD2 2.94Å; R300-Y511 HydrophobicContact CG-CD2 3.85Å; R300-Y511 HydrophobicContact CG-CE2 4.03Å; R300-Y511 HydrophobicContact CG-CG 4.19Å; R300-Y511 PolarHBondContact NH1-OH 3.1Å; R300-Y511 PolarHBondContact NH2-OH 2.92Å
301	Y	95.1	Very high	96.7	Very high	35 Å²	35	27.4 Å²	27.4	14%	0.137	13%	0.131	C	C	.	.	H	α-helix	trans	-60.3	-28.4	179.1	-72.5	-70.1	0	0	0	113.6	T297 K303 L304 K305 D324 N326 P329 Q330 V332	T297-Y301 HydrophobicContact CG2-CE1 4.29Å; Y301-K303 VanDerWaalsContact C-N 3.33Å; Y301-L304 HydrophobicContact CD1-CD2 4.17Å; Y301-L304 HydrophobicContact CE1-CD2 4.47Å; Y301-K305 VanDerWaalsContact O-CB 3.31Å; Y301-K305 WeakPolarHBondContact O-CB 3.23Å; Y301-K305 PolarHBondContact O-N 2.89Å; Y301-D324 WeakPolarHBondContact CE1-OD2 3.47Å; Y301-D324 VanDerWaalsContact OH-CG 3.31Å; Y301-D324 PolarHBondContact OH-OD1 3.31Å; Y301-D324 PolarHBondContact OH-OD2 2.84Å; Y301-N326 PolarHBondContact OH-ND2 3.42Å; Y301-P329 WeakPolarHBondContact OH-CA 3.29Å; Y301-Q330 HydrophobicContact CD1-CB 4.4Å; Y301-Q330 HydrophobicContact CD2-CB 4.23Å; Y301-Q330 HydrophobicContact CD2-CG 3.99Å; Y301-Q330 HydrophobicContact CE1-CB 4.08Å; Y301-Q330 HydrophobicContact CE2-CB 3.87Å; Y301-Q330 HydrophobicContact CE2-CG 3.71Å; Y301-Q330 HydrophobicContact CG-CB 4.49Å; Y301-Q330 PolarHBondContact OH-N 3.15Å; Y301-V332 HydrophobicContact CD1-CG2 4.07Å; Y301-V332 HydrophobicContact CE1-CG2 3.87Å
302	D	93.2	Very high	96.7	Very high	71 Å²	71	29.3 Å²	29.3	38%	0.38	14%	0.139	S	C	.	.	H	α-helix	trans	-61.2	-43.9	172.4	63.5	-49.3	0	0	0	111.1	R300 K305 D306	R300-D302 PolarHBondContact O-N 3.13Å; D302-K305 PolarHBondContact O-N 3.25Å; D302-D306 VanDerWaalsContact O-CG 3.27Å; D302-D306 PolarHBondContact O-N 2.93Å; D302-D306 VanDerWaalsContact O-N 3.08Å
303	K	94.9	Very high	96.7	Very high	40 Å²	40	36.2 Å²	36.2	17%	0.174	17%	0.171	C	C	.	.	H	α-helix	trans	-71.9	-42.9	178.1	-57.7	-50.3	175.4	-163.4	0	112.9	R300 Y301 K305 D306 L307 D369 D370 A495	R300-K303 HydrophobicContact CB-CB 4.22Å; R300-K303 HydrophobicContact CB-CG 4.36Å; R300-K303 PolarHBondContact O-N 3.1Å; Y301-K303 VanDerWaalsContact C-N 3.33Å; K303-K305 PolarHBondContact O-N 2.87Å; K303-D306 IonicContact NZ-OD2 2.66Å; K303-D306 PolarHBondContact NZ-OD2 3.23Å; K303-D306 PolarHBondContact O-N 3.12Å; K303-D306 VanDerWaalsContact O-N 3.14Å; K303-L307 PolarHBondContact O-N 3.3Å; K303-D369 CarbonylContact C-O 3.46Å; K303-D369 VanDerWaalsContact CB-O 3.25Å; K303-D369 WeakPolarHBondContact CB-O 3.46Å; K303-D370 HydrophobicContact CB-CB 4.18Å; K303-D370 HydrophobicContact CG-CB 4.38Å; K303-A495 HydrophobicContact CD-CB 4.21Å
304	L	96.9	Very high	96.6	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-58.2	-39.2	174.1	177.9	60.8	0	0	0	111.4	T295 T297 R300 Y301 L307 I308 I322 V332 D369	T295-L304 HydrophobicContact CG2-CD1 3.91Å; T297-L304 HydrophobicContact CG2-CD2 3.68Å; R300-L304 PolarHBondContact O-N 3.04Å; Y301-L304 HydrophobicContact CD1-CD2 4.17Å; Y301-L304 HydrophobicContact CE1-CD2 4.47Å; L304-L307 HydrophobicContact CD1-CD2 4.4Å; L304-L307 PolarHBondContact O-N 3.01Å; L304-I308 HydrophobicContact CD1-CD1 3.99Å; L304-I308 HydrophobicContact CD1-CG1 4.25Å; L304-I308 HydrophobicContact CG-CD1 3.83Å; L304-I308 WeakPolarHBondContact O-CD1 3.3Å; L304-I308 VanDerWaalsContact O-CG1 3.23Å; L304-I308 WeakPolarHBondContact O-CG1 3.22Å; L304-I308 PolarHBondContact O-N 2.74Å; L304-I322 HydrophobicContact CD1-CD1 4.16Å; L304-I322 HydrophobicContact CD1-CG1 4.42Å; L304-I322 HydrophobicContact CD1-CG2 4.42Å; L304-I322 HydrophobicContact CD2-CD1 4.17Å; L304-I322 HydrophobicContact CD2-CG2 3.91Å; L304-V332 HydrophobicContact CD2-CG2 3.98Å; L304-D369 HydrophobicContact CB-CB 4.42Å; L304-D369 HydrophobicContact CD1-CB 4.38Å; L304-D369 PolarHBondContact N-O 3.29Å
305	K	97	Very high	96.5	Very high	129 Å²	129	40 Å²	40	56%	0.561	19%	0.187	S	C	*	.	H	α-helix	trans	-64.4	-48.6	175	-173.5	-179.3	176.9	-173.7	0	111.6	Y301 D302 K303 L307 I308 D309	Y301-K305 VanDerWaalsContact O-CB 3.31Å; Y301-K305 WeakPolarHBondContact O-CB 3.23Å; Y301-K305 PolarHBondContact O-N 2.89Å; D302-K305 PolarHBondContact O-N 3.25Å; K303-K305 PolarHBondContact O-N 2.87Å; K305-L307 VanDerWaalsContact C-N 3.26Å; K305-L307 PolarHBondContact O-N 3.15Å; K305-I308 PolarHBondContact O-N 3.5Å; K305-I308 VanDerWaalsContact O-N 3.15Å; K305-D309 WeakPolarHBondContact O-CB 3.38Å; K305-D309 VanDerWaalsContact O-CG 3.31Å; K305-D309 PolarHBondContact O-N 3.26Å
306	D	97.2	Very high	96.4	Very high	65 Å²	65	43.6 Å²	43.6	35%	0.348	21%	0.21	S	C	.	.	H	α-helix	trans	-55.9	-41.7	175.8	-63	-23.5	0	0	0	111.3	D302 K303 S310 I372	D302-D306 VanDerWaalsContact O-CG 3.27Å; D302-D306 PolarHBondContact O-N 2.93Å; D302-D306 VanDerWaalsContact O-N 3.08Å; K303-D306 IonicContact NZ-OD2 2.66Å; K303-D306 PolarHBondContact NZ-OD2 3.23Å; K303-D306 PolarHBondContact O-N 3.12Å; K303-D306 VanDerWaalsContact O-N 3.14Å; D306-S310 WeakPolarHBondContact O-CB 2.94Å; D306-S310 PolarHBondContact O-N 3.15Å; D306-S310 PolarHBondContact O-OG 3.01Å; D306-I372 HydrophobicContact CB-CD1 3.63Å
307	L	98.2	Very high	96.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-52.8	174.4	171.5	66	0	0	0	111.1	T295 K303 L304 K305 D309 S310 I311 V367 F371	T295-L307 HydrophobicContact CG2-CD2 4.28Å; K303-L307 PolarHBondContact O-N 3.3Å; L304-L307 HydrophobicContact CD1-CD2 4.4Å; L304-L307 PolarHBondContact O-N 3.01Å; K305-L307 VanDerWaalsContact C-N 3.26Å; K305-L307 PolarHBondContact O-N 3.15Å; L307-D309 PolarHBondContact O-N 3.5Å; L307-S310 PolarHBondContact O-N 2.87Å; L307-S310 PolarHBondContact O-OG 3.15Å; L307-I311 HydrophobicContact CD1-CD1 3.68Å; L307-I311 HydrophobicContact CD1-CG1 4Å; L307-I311 HydrophobicContact CD2-CD1 4.38Å; L307-I311 HydrophobicContact CG-CD1 3.73Å; L307-I311 HydrophobicContact CG-CG1 4.41Å; L307-I311 VanDerWaalsContact O-CG1 3.29Å; L307-I311 WeakPolarHBondContact O-CG1 3.5Å; L307-I311 PolarHBondContact O-N 2.53Å; L307-V367 HydrophobicContact CD1-CG2 4.27Å; L307-V367 HydrophobicContact CD2-CG2 3.81Å; L307-F371 WeakPolarHBondContact CA-O 3.49Å; L307-F371 WeakPolarHBondContact CB-O 3.36Å; L307-F371 HydrophobicContact CD1-CB 4.16Å; L307-F371 WeakPolarHBondContact CD1-O 3.44Å
308	I	98.4	Very high	96.4	Very high	16 Å²	16	45.6 Å²	45.6	8%	0.082	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-47.4	-178.8	-70.7	162.8	0	0	0	110.8	L304 K305 S310 I311 R312 I320 I322 V332 I337	L304-I308 HydrophobicContact CD1-CD1 3.99Å; L304-I308 HydrophobicContact CD1-CG1 4.25Å; L304-I308 HydrophobicContact CG-CD1 3.83Å; L304-I308 WeakPolarHBondContact O-CD1 3.3Å; L304-I308 VanDerWaalsContact O-CG1 3.23Å; L304-I308 WeakPolarHBondContact O-CG1 3.22Å; L304-I308 PolarHBondContact O-N 2.74Å; K305-I308 PolarHBondContact O-N 3.5Å; K305-I308 VanDerWaalsContact O-N 3.15Å; I308-S310 VanDerWaalsContact C-N 3.33Å; I308-S310 PolarHBondContact O-N 3.3Å; I308-I311 PolarHBondContact O-N 3.1Å; I308-R312 HydrophobicContact CG2-CG 4.31Å; I308-R312 WeakPolarHBondContact O-CB 3.31Å; I308-R312 VanDerWaalsContact O-CG 3.27Å; I308-R312 WeakPolarHBondContact O-CG 3.03Å; I308-R312 PolarHBondContact O-N 2.97Å; I308-I320 HydrophobicContact CG1-CD1 4.27Å; I308-I320 HydrophobicContact CG2-CD1 4.41Å; I308-I322 HydrophobicContact CD1-CD1 3.99Å; I308-V332 HydrophobicContact CD1-CG1 3.59Å; I308-I337 HydrophobicContact CD1-CD1 4.24Å; I308-I337 HydrophobicContact CG2-CD1 3.87Å
309	D	97.9	Very high	96.6	Very high	88 Å²	88	46.6 Å²	46.6	47%	0.471	23%	0.23	S	C	.	.	H	α-helix	trans	-60.3	-45.2	-178.8	-70.5	-14.7	0	0	0	110.3	K305 L307 R312 E313	K305-D309 WeakPolarHBondContact O-CB 3.38Å; K305-D309 VanDerWaalsContact O-CG 3.31Å; K305-D309 PolarHBondContact O-N 3.26Å; L307-D309 PolarHBondContact O-N 3.5Å; D309-R312 PolarHBondContact O-N 3.1Å; D309-E313 PolarHBondContact O-N 3.48Å; D309-E313 VanDerWaalsContact O-N 3.17Å
310	S	98.4	Very high	96.8	Very high	9 Å²	9	44.5 Å²	44.5	6%	0.063	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-36.4	176.3	70.5	0	0	0	0	113.4	D306 L307 I308 R312 E313 F314 F373	D306-S310 WeakPolarHBondContact O-CB 2.94Å; D306-S310 PolarHBondContact O-N 3.15Å; D306-S310 PolarHBondContact O-OG 3.01Å; L307-S310 PolarHBondContact O-N 2.87Å; L307-S310 PolarHBondContact O-OG 3.15Å; I308-S310 VanDerWaalsContact C-N 3.33Å; I308-S310 PolarHBondContact O-N 3.3Å; S310-R312 VanDerWaalsContact C-N 3.3Å; S310-R312 PolarHBondContact O-N 3.01Å; S310-E313 WeakPolarHBondContact O-CB 3.37Å; S310-E313 PolarHBondContact O-N 2.03Å; S310-F314 WeakPolarHBondContact O-CD2 3.06Å; S310-F373 PolarHBondContact OG-N 2.72Å
311	I	98.3	Very high	97.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.5	-44.9	172.7	-70.6	165.6	0	0	0	109.6	I293 L307 I308 E313 F314 Y315 I320 F373	I293-I311 HydrophobicContact CD1-CD1 4.04Å; I293-I311 HydrophobicContact CD1-CG1 4.19Å; I293-I311 HydrophobicContact CD1-CG2 3.66Å; I293-I311 HydrophobicContact CG2-CD1 4.06Å; L307-I311 HydrophobicContact CD1-CD1 3.68Å; L307-I311 HydrophobicContact CD1-CG1 4Å; L307-I311 HydrophobicContact CD2-CD1 4.38Å; L307-I311 HydrophobicContact CG-CD1 3.73Å; L307-I311 HydrophobicContact CG-CG1 4.41Å; L307-I311 VanDerWaalsContact O-CG1 3.29Å; L307-I311 WeakPolarHBondContact O-CG1 3.5Å; L307-I311 PolarHBondContact O-N 2.53Å; I308-I311 PolarHBondContact O-N 3.1Å; I311-E313 VanDerWaalsContact C-N 3.25Å; I311-E313 PolarHBondContact O-N 3.06Å; I311-F314 PolarHBondContact O-N 2.72Å; I311-F314 VanDerWaalsContact O-N 3.16Å; I311-Y315 CarbonylContact O-C 3.58Å; I311-Y315 WeakPolarHBondContact O-CA 3.44Å; I311-Y315 PolarHBondContact O-N 2.93Å; I311-I320 HydrophobicContact CB-CD1 4.17Å; I311-I320 HydrophobicContact CD1-CD1 3.84Å; I311-I320 HydrophobicContact CD1-CG1 4.35Å; I311-I320 HydrophobicContact CG2-CD1 3.82Å; I311-I320 HydrophobicContact CG2-CG1 4.31Å; I311-F373 HydrophobicContact CB-CD1 4.2Å; I311-F373 HydrophobicContact CB-CE1 4.4Å; I311-F373 HydrophobicContact CG1-CD1 3.68Å; I311-F373 HydrophobicContact CG1-CD2 4.23Å; I311-F373 HydrophobicContact CG1-CE1 3.68Å; I311-F373 HydrophobicContact CG1-CE2 4.25Å; I311-F373 HydrophobicContact CG1-CG 3.97Å; I311-F373 HydrophobicContact CG1-CZ 3.98Å; I311-F373 HydrophobicContact CG2-CE1 4.4Å
312	R	97.4	Very high	97.3	Very high	41 Å²	41	40.7 Å²	40.7	16%	0.155	21%	0.205	C	C	.	.	H	α-helix	trans	-68.2	-24	-175.8	-69.7	-68.8	173.1	-111.1	2	113.3	I308 D309 S310 F314 Y315 P316 V318 P335 H336	I308-R312 HydrophobicContact CG2-CG 4.31Å; I308-R312 WeakPolarHBondContact O-CB 3.31Å; I308-R312 VanDerWaalsContact O-CG 3.27Å; I308-R312 WeakPolarHBondContact O-CG 3.03Å; I308-R312 PolarHBondContact O-N 2.97Å; D309-R312 PolarHBondContact O-N 3.1Å; S310-R312 VanDerWaalsContact C-N 3.3Å; S310-R312 PolarHBondContact O-N 3.01Å; R312-F314 VanDerWaalsContact C-N 3.34Å; R312-Y315 PolarHBondContact NH1-O 2.94Å; R312-Y315 VanDerWaalsContact NH1-O 3.14Å; R312-P316 WeakPolarHBondContact CD-O 3.49Å; R312-V318 PolarHBondContact NH1-O 3.32Å; R312-V318 PolarHBondContact NH2-O 3.05Å; R312-P335 PolarHBondContact NE-O 3.09Å; R312-P335 PolarHBondContact NH2-O 2.82Å; R312-H336 PolarHBondContact NH2-O 2.99Å
313	E	97.6	Very high	97.5	Very high	145 Å²	145	37.3 Å²	37.3	68%	0.678	19%	0.187	S	C	*	.	H	α-helix	trans	-62.3	-38.7	171.4	-171.1	-180	166.3	0	0	112.4	D309 S310 I311	D309-E313 PolarHBondContact O-N 3.48Å; D309-E313 VanDerWaalsContact O-N 3.17Å; S310-E313 WeakPolarHBondContact O-CB 3.37Å; S310-E313 PolarHBondContact O-N 2.03Å; I311-E313 VanDerWaalsContact C-N 3.25Å; I311-E313 PolarHBondContact O-N 3.06Å
314	F	97.1	Very high	97.7	Very high	64 Å²	64	35.5 Å²	35.5	28%	0.281	18%	0.179	S	C	.	.	H	α-helix	trans	-105.4	-31.7	-174.8	-62.4	-79.4	0	0	0	114	S310 I311 R312 F373 A375	S310-F314 WeakPolarHBondContact O-CD2 3.06Å; I311-F314 PolarHBondContact O-N 2.72Å; I311-F314 VanDerWaalsContact O-N 3.16Å; R312-F314 VanDerWaalsContact C-N 3.34Å; F314-F373 HydrophobicContact CD2-CB 4.01Å; F314-A375 HydrophobicContact CE1-CB 4.19Å; F314-A375 VanDerWaalsContact CZ-N 3.32Å
315	Y	97	Very high	97.6	Very high	16 Å²	16	35.4 Å²	35.4	6%	0.063	18%	0.178	C	C	.	.			trans	-135.7	71.7	-174.8	-56.8	-76.7	0	0	0	110.8	I287 I311 R312 T317 V318 F373 T377 K378 L379 E380	I287-Y315 HydrophobicContact CG2-CD1 4.35Å; I287-Y315 HydrophobicContact CG2-CE1 4.47Å; I311-Y315 CarbonylContact O-C 3.58Å; I311-Y315 WeakPolarHBondContact O-CA 3.44Å; I311-Y315 PolarHBondContact O-N 2.93Å; R312-Y315 PolarHBondContact NH1-O 2.94Å; R312-Y315 VanDerWaalsContact NH1-O 3.14Å; Y315-T317 PolarHBondContact O-N 3.17Å; Y315-V318 HydrophobicContact CD1-CG2 4.32Å; Y315-V318 HydrophobicContact CG-CG2 4.32Å; Y315-V318 PolarHBondContact O-N 3.34Å; Y315-F373 AromaticContact CD2-CD1 3.84Å; Y315-F373 HydrophobicContact CD2-CD1 3.84Å; Y315-F373 AromaticContact CD2-CE1 3.87Å; Y315-F373 HydrophobicContact CD2-CE1 3.87Å; Y315-F373 HydrophobicContact CE2-CD1 4.01Å; Y315-F373 HydrophobicContact CE2-CE1 4.08Å; Y315-T377 WeakPolarHBondContact CE2-O 3.37Å; Y315-T377 PolarHBondContact OH-O 2.92Å; Y315-K378 WeakPolarHBondContact OH-CA 3.28Å; Y315-L379 HydrophobicContact CD1-CD1 3.98Å; Y315-L379 HydrophobicContact CD2-CD1 3.87Å; Y315-L379 HydrophobicContact CD2-CG 4.31Å; Y315-L379 HydrophobicContact CE1-CB 4Å; Y315-L379 HydrophobicContact CE1-CD1 3.88Å; Y315-L379 HydrophobicContact CE1-CG 3.94Å; Y315-L379 HydrophobicContact CE2-CD1 3.78Å; Y315-L379 HydrophobicContact CE2-CG 3.71Å; Y315-L379 HydrophobicContact CG-CD1 3.97Å; Y315-L379 PolarHBondContact OH-N 3.4Å; Y315-E380 WeakPolarHBondContact CE1-OE1 3.39Å; Y315-E380 PolarHBondContact OH-OE2 2.78Å
316	P	95.9	Very high	97.5	Very high	74 Å²	74	29.7 Å²	29.7	48%	0.481	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-25.8	-171	23.8	-34.3	0	0	0	114	R312	R312-P316 WeakPolarHBondContact CD-O 3.49Å
317	T	95.9	Very high	97.4	Very high	62 Å²	62	32.9 Å²	32.9	38%	0.38	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-6.4	-173.6	57.1	0	0	0	0	114.5	T288 Y315 L319	T288-T317 WeakPolarHBondContact CG2-O 3.43Å; T288-T317 PolarHBondContact OG1-OG1 3.16Å; Y315-T317 PolarHBondContact O-N 3.17Å; T317-L319 PolarHBondContact O-N 3.26Å
318	V	96.9	Very high	97.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-67.5	131.2	178.5	170.5	0	0	0	0	110.1	I287 I293 R312 Y315 I320	I287-V318 HydrophobicContact CG2-CG2 3.94Å; I293-V318 HydrophobicContact CD1-CG1 3.78Å; I293-V318 HydrophobicContact CG1-CG1 3.75Å; R312-V318 PolarHBondContact NH1-O 3.32Å; R312-V318 PolarHBondContact NH2-O 3.05Å; Y315-V318 HydrophobicContact CD1-CG2 4.32Å; Y315-V318 HydrophobicContact CG-CG2 4.32Å; Y315-V318 PolarHBondContact O-N 3.34Å; V318-I320 PolarHBondContact O-N 3.46Å
319	L	98.1	Very high	97.1	Very high	32 Å²	32	41.6 Å²	41.6	17%	0.168	21%	0.209	C	C	.	.			trans	-64.3	132.3	176.8	-179.9	62.5	0	0	0	110.9	T292 I293 T317 I321 H336 E338	T292-L319 HydrophobicContact CG2-CB 4.16Å; T292-L319 HydrophobicContact CG2-CD2 4.07Å; T292-L319 HydrophobicContact CG2-CG 4.02Å; I293-L319 PolarHBondContact N-O 3.25Å; T317-L319 PolarHBondContact O-N 3.26Å; L319-I321 HydrophobicContact CD2-CD1 4.12Å; L319-I321 HydrophobicContact CD2-CG1 4.14Å; L319-I321 HydrophobicContact CG-CG1 4.09Å; L319-H336 WeakPolarHBondContact CA-O 3.46Å; L319-E338 HydrophobicContact CD1-CG 4Å
320	I	98.8	Very high	97	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.3	173	-53.7	172.9	0	0	0	108.2	I293 I308 I311 V318 I322 H336 I337 E338	I293-I320 CarbonylContact O-C 3.42Å; I293-I320 WeakPolarHBondContact O-CA 3.34Å; I308-I320 HydrophobicContact CG1-CD1 4.27Å; I308-I320 HydrophobicContact CG2-CD1 4.41Å; I311-I320 HydrophobicContact CB-CD1 4.17Å; I311-I320 HydrophobicContact CD1-CD1 3.84Å; I311-I320 HydrophobicContact CD1-CG1 4.35Å; I311-I320 HydrophobicContact CG2-CD1 3.82Å; I311-I320 HydrophobicContact CG2-CG1 4.31Å; V318-I320 PolarHBondContact O-N 3.46Å; I320-I322 HydrophobicContact CG2-CD1 4.32Å; I320-I322 HydrophobicContact CG2-CG1 3.91Å; I320-H336 PolarHBondContact N-O 2.92Å; I320-I337 HydrophobicContact CB-CG1 4.43Å; I320-I337 WeakPolarHBondContact O-CA 3.45Å; I320-E338 PolarHBondContact O-N 2.92Å
321	I	98.8	Very high	96.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.2	174.9	-62.1	-177.4	0	0	0	108.9	T292 I293 A294 T295 L319 E338 Y340 A355 Q358 V359	T292-I321 HydrophobicContact CG2-CB 4.45Å; T292-I321 HydrophobicContact CG2-CD1 3.65Å; T292-I321 HydrophobicContact CG2-CG1 3.72Å; I293-I321 PolarHBondContact O-N 2.87Å; A294-I321 WeakPolarHBondContact CA-O 3.47Å; T295-I321 PolarHBondContact N-O 3.22Å; L319-I321 HydrophobicContact CD2-CD1 4.12Å; L319-I321 HydrophobicContact CD2-CG1 4.14Å; L319-I321 HydrophobicContact CG-CG1 4.09Å; I321-E338 WeakPolarHBondContact CA-O 3.48Å; I321-E338 HydrophobicContact CG1-CB 4.5Å; I321-Y340 HydrophobicContact CG2-CD2 3.91Å; I321-Y340 HydrophobicContact CG2-CE2 4.04Å; I321-A355 HydrophobicContact CG2-CB 3.97Å; I321-Q358 HydrophobicContact CD1-CB 3.77Å; I321-Q358 HydrophobicContact CG2-CB 4.21Å; I321-V359 HydrophobicContact CD1-CG2 4.06Å
322	I	98.7	Very high	96.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115	-173.9	-54.3	168.2	0	0	0	108.7	T295 T297 L304 I308 I320 V332 I337 E338 Y340	T295-I322 HydrophobicContact CG2-CB 4.4Å; T295-I322 HydrophobicContact CG2-CG1 3.93Å; T295-I322 HydrophobicContact CG2-CG2 4.34Å; T297-I322 HydrophobicContact CG2-CG2 4.07Å; L304-I322 HydrophobicContact CD1-CD1 4.16Å; L304-I322 HydrophobicContact CD1-CG1 4.42Å; L304-I322 HydrophobicContact CD1-CG2 4.42Å; L304-I322 HydrophobicContact CD2-CD1 4.17Å; L304-I322 HydrophobicContact CD2-CG2 3.91Å; I308-I322 HydrophobicContact CD1-CD1 3.99Å; I320-I322 HydrophobicContact CG2-CD1 4.32Å; I320-I322 HydrophobicContact CG2-CG1 3.91Å; I322-V332 HydrophobicContact CD1-CB 4.29Å; I322-V332 HydrophobicContact CD1-CG1 3.81Å; I322-I337 HydrophobicContact CD1-CG2 3.76Å; I322-E338 PolarHBondContact N-O 2.92Å; I322-Y340 PolarHBondContact O-N 2.88Å
323	A	98.3	Very high	96.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	128	165.4	0	0	0	0	0	110.1	T295 K296 T297 M342 G351 L354 A355	T295-A323 PolarHBondContact O-N 2.82Å; K296-A323 CarbonylContact C-O 3.6Å; K296-A323 VanDerWaalsContact CA-O 3.25Å; K296-A323 WeakPolarHBondContact CA-O 3.32Å; K296-A323 HydrophobicContact CB-CB 4.23Å; K296-A323 HydrophobicContact CG-CB 4.13Å; T297-A323 PolarHBondContact N-O 3.35Å; A323-M342 HydrophobicContact CB-SD 4.03Å; A323-G351 VanDerWaalsContact CB-O 3.31Å; A323-G351 WeakPolarHBondContact CB-O 3.5Å; A323-L354 HydrophobicContact CB-CB 4.49Å; A323-L354 HydrophobicContact CB-CD2 4.37Å; A323-A355 HydrophobicContact CB-CB 4.16Å
324	D	97.9	Very high	96.2	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	112.2	-172.7	-170.7	-23.6	0	0	0	111	T297 Y301 N326 Q339 Y340 L341 M342	T297-D324 HydrophobicContact CG2-CB 4.25Å; Y301-D324 WeakPolarHBondContact CE1-OD2 3.47Å; Y301-D324 VanDerWaalsContact OH-CG 3.31Å; Y301-D324 PolarHBondContact OH-OD1 3.31Å; Y301-D324 PolarHBondContact OH-OD2 2.84Å; D324-N326 VanDerWaalsContact OD1-CB 3.24Å; D324-N326 WeakPolarHBondContact OD1-CB 3.27Å; D324-N326 PolarHBondContact OD1-N 3.03Å; D324-N326 PolarHBondContact OD1-ND2 2.99Å; D324-Q339 HydrophobicContact CB-CG 4.28Å; D324-Q339 PolarHBondContact OD2-NE2 2.84Å; D324-Y340 PolarHBondContact N-O 2.82Å; D324-L341 HydrophobicContact CB-CD2 4.06Å; D324-L341 CarbonylContact O-C 3.51Å; D324-L341 WeakPolarHBondContact O-CA 3.45Å; D324-M342 WeakPolarHBondContact O-CB 3.14Å; D324-M342 PolarHBondContact O-N 3.06Å
325	D	95.9	Very high	96	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.283	C	S	.	.			trans	-109.4	28.1	178.2	69.3	-14.7	0	0	0	113	K296 F298 M342 F344 G345 K346 G347	K296-D325 WeakPolarHBondContact CE-OD1 3.29Å; K296-D325 VanDerWaalsContact CE-OD2 3.31Å; K296-D325 WeakPolarHBondContact CE-OD2 3.28Å; K296-D325 IonicContact NZ-OD1 2.85Å; K296-D325 PolarHBondContact NZ-OD1 3.39Å; K296-D325 IonicContact NZ-OD2 2.7Å; K296-D325 PolarHBondContact NZ-OD2 3.49Å; F298-D325 WeakPolarHBondContact CB-OD1 3.37Å; F298-D325 WeakPolarHBondContact CD2-O 3.44Å; F298-D325 WeakPolarHBondContact CD2-OD1 3.47Å; F298-D325 WeakPolarHBondContact CE2-O 3.27Å; D325-M342 HydrophobicContact CB-CB 3.78Å; D325-M342 HydrophobicContact CB-SD 4.42Å; D325-F344 CarbonylContact O-C 3.6Å; D325-F344 WeakPolarHBondContact O-CA 3.34Å; D325-G345 PolarHBondContact O-N 2.89Å; D325-K346 PolarHBondContact OD2-N 2.62Å; D325-G347 PolarHBondContact OD2-N 2.88Å
326	N	95.8	Very high	96	Very high	9 Å²	9	53 Å²	53	5%	0.048	30%	0.301	C	S	.	.			trans	-67.1	149.6	171.8	-76.4	-83.3	0	0	0	112.2	L299 Y301 D324 H328 P329	L299-N326 WeakPolarHBondContact CA-OD1 3.41Å; L299-N326 WeakPolarHBondContact CD2-OD1 3.5Å; L299-N326 PolarHBondContact N-OD1 2.91Å; Y301-N326 PolarHBondContact OH-ND2 3.42Å; D324-N326 VanDerWaalsContact OD1-CB 3.24Å; D324-N326 WeakPolarHBondContact OD1-CB 3.27Å; D324-N326 PolarHBondContact OD1-N 3.03Å; D324-N326 PolarHBondContact OD1-ND2 2.99Å; N326-H328 VanDerWaalsContact C-N 3.32Å; N326-P329 HydrophobicContact CB-CB 4.39Å
327	K	94.6	Very high	96.1	Very high	133 Å²	133	50.9 Å²	50.9	58%	0.578	29%	0.285	S	S	*	.	S	Bend	trans	-66.5	-38.7	176.2	-167.2	176.7	176.8	-177.7	0	111.9	F344	K327-F344 VanDerWaalsContact CA-CD2 3.49Å; K327-F344 HydrophobicContact CB-CB 4.43Å; K327-F344 HydrophobicContact CB-CD1 4.4Å; K327-F344 HydrophobicContact CB-CD2 3.44Å; K327-F344 VanDerWaalsContact CB-CD2 3.44Å; K327-F344 HydrophobicContact CB-CE2 3.63Å; K327-F344 HydrophobicContact CB-CG 3.84Å; K327-F344 HydrophobicContact CB-CZ 4.2Å; K327-F344 HydrophobicContact CD-CD1 4.5Å; K327-F344 HydrophobicContact CD-CE1 4.42Å; K327-F344 HydrophobicContact CG-CD1 4.38Å; K327-F344 HydrophobicContact CG-CD2 4.23Å; K327-F344 HydrophobicContact CG-CG 4.13Å
328	H	94.9	Very high	96.2	Very high	148 Å²	148	51.4 Å²	51.4	69%	0.685	28%	0.283	S	S	*	.	S	Bend	trans	-128	80.5	-179.7	-58.9	-60.9	0	0	0	107.2	N326	N326-H328 VanDerWaalsContact C-N 3.32Å
329	P	95.3	Very high	96.3	Very high	51 Å²	51	53.9 Å²	53.9	33%	0.331	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-67.7	140.5	-174.2	26.2	-32.4	0	0	0	111.3	Y301 N326 L341	Y301-P329 WeakPolarHBondContact OH-CA 3.29Å; N326-P329 HydrophobicContact CB-CB 4.39Å; P329-L341 HydrophobicContact CB-CD2 3.59Å; P329-L341 HydrophobicContact CG-CD1 3.89Å; P329-L341 HydrophobicContact CG-CD2 3.8Å; P329-L341 HydrophobicContact CG-CG 4.42Å
330	Q	94.8	Very high	96.3	Very high	117 Å²	117	55.6 Å²	55.6	55%	0.547	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-93.6	135.8	173.5	-60.4	-179.9	18.8	0	0	109	Y301 V332 Q339	Y301-Q330 HydrophobicContact CD1-CB 4.4Å; Y301-Q330 HydrophobicContact CD2-CB 4.23Å; Y301-Q330 HydrophobicContact CD2-CG 3.99Å; Y301-Q330 HydrophobicContact CE1-CB 4.08Å; Y301-Q330 HydrophobicContact CE2-CB 3.87Å; Y301-Q330 HydrophobicContact CE2-CG 3.71Å; Y301-Q330 HydrophobicContact CG-CB 4.49Å; Y301-Q330 PolarHBondContact OH-N 3.15Å; Q330-V332 PolarHBondContact O-N 3.42Å; Q330-Q339 PolarHBondContact O-NE2 3.05Å; Q330-Q339 PolarHBondContact O-OE1 2.85Å
331	P	95	Very high	96.2	Very high	110 Å²	110	60.7 Å²	60.7	71%	0.714	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-60.6	122.3	174.6	-22.7	33.3	0	0	0	111.1	T333	P331-T333 HydrophobicContact CB-CG2 4.34Å
332	V	95.9	Very high	96.1	Very high	28 Å²	28	61.9 Å²	61.9	17%	0.17	33%	0.332	C	S	.	.			trans	-98.7	106.5	171.7	-174.1	0	0	0	0	107.5	Y301 L304 I308 I322 Q330 I337	Y301-V332 HydrophobicContact CD1-CG2 4.07Å; Y301-V332 HydrophobicContact CE1-CG2 3.87Å; L304-V332 HydrophobicContact CD2-CG2 3.98Å; I308-V332 HydrophobicContact CD1-CG1 3.59Å; I322-V332 HydrophobicContact CD1-CB 4.29Å; I322-V332 HydrophobicContact CD1-CG1 3.81Å; Q330-V332 PolarHBondContact O-N 3.42Å; V332-I337 HydrophobicContact CG1-CG2 4.2Å
333	T	91.6	Very high	95.9	Very high	126 Å²	126	66.2 Å²	66.2	77%	0.773	36%	0.36	S	S	*	.			trans	-112	147.2	-175.2	62.1	0	0	0	0	111.2	P331	P331-T333 HydrophobicContact CB-CG2 4.34Å
334	G	92.7	Very high	95.7	Very high	42 Å²	42	71 Å²	71	43%	0.433	38%	0.381	S	S	.	.	S	Bend	trans	160.3	170.5	178	0	0	0	0	0	111.9
335	P	93.8	Very high	95.4	Very high	86 Å²	86	71.5 Å²	71.5	56%	0.558	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	138	177.4	28.2	-34.4	0	0	0	110.3	R312 I337	R312-P335 PolarHBondContact NE-O 3.09Å; R312-P335 PolarHBondContact NH2-O 2.82Å; P335-I337 VanDerWaalsContact C-N 3.29Å; P335-I337 PolarHBondContact O-N 2.83Å
336	H	96.9	Very high	95.2	Very high	94 Å²	94	76.9 Å²	76.9	44%	0.435	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	42.2	176.6	-49.2	-78.1	0	0	0	113.6	R312 L319 I320	R312-H336 PolarHBondContact NH2-O 2.99Å; L319-H336 WeakPolarHBondContact CA-O 3.46Å; I320-H336 PolarHBondContact N-O 2.92Å
337	I	98.1	Very high	94.9	Very high	28 Å²	28	76.4 Å²	76.4	14%	0.144	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.4	174.8	-65.4	176	0	0	0	109	I308 I320 I322 V332 P335	I308-I337 HydrophobicContact CD1-CD1 4.24Å; I308-I337 HydrophobicContact CG2-CD1 3.87Å; I320-I337 HydrophobicContact CB-CG1 4.43Å; I320-I337 WeakPolarHBondContact O-CA 3.45Å; I322-I337 HydrophobicContact CD1-CG2 3.76Å; V332-I337 HydrophobicContact CG1-CG2 4.2Å; P335-I337 VanDerWaalsContact C-N 3.29Å; P335-I337 PolarHBondContact O-N 2.83Å
338	E	98.3	Very high	94.6	Very high	74 Å²	74	72 Å²	72	35%	0.346	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	122.3	170.3	-68.3	175	-172.6	0	0	109.5	L319 I320 I321 I322 Y340	L319-E338 HydrophobicContact CD1-CG 4Å; I320-E338 PolarHBondContact O-N 2.92Å; I321-E338 WeakPolarHBondContact CA-O 3.48Å; I321-E338 HydrophobicContact CG1-CB 4.5Å; I322-E338 PolarHBondContact N-O 2.92Å; E338-Y340 HydrophobicContact CB-CD2 4.34Å; E338-Y340 HydrophobicContact CB-CE2 3.68Å; E338-Y340 PolarHBondContact OE2-OH 3.37Å
339	Q	98.3	Very high	94.5	Very high	52 Å²	52	65 Å²	65	24%	0.243	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126	177.9	-174.8	-175.5	16.6	0	0	109.7	D324 Q330 L341	D324-Q339 HydrophobicContact CB-CG 4.28Å; D324-Q339 PolarHBondContact OD2-NE2 2.84Å; Q330-Q339 PolarHBondContact O-NE2 3.05Å; Q330-Q339 PolarHBondContact O-OE1 2.85Å; Q339-L341 HydrophobicContact CG-CD2 4.16Å
340	Y	98.1	Very high	94.5	Very high	67 Å²	67	63.1 Å²	63.1	26%	0.263	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.4	178.5	-69.9	-93.7	0	0	0	110.4	I321 I322 D324 E338 Q358	I321-Y340 HydrophobicContact CG2-CD2 3.91Å; I321-Y340 HydrophobicContact CG2-CE2 4.04Å; I322-Y340 PolarHBondContact O-N 2.88Å; D324-Y340 PolarHBondContact N-O 2.82Å; E338-Y340 HydrophobicContact CB-CD2 4.34Å; E338-Y340 HydrophobicContact CB-CE2 3.68Å; E338-Y340 PolarHBondContact OE2-OH 3.37Å; Y340-Q358 HydrophobicContact CD1-CG 4.05Å; Y340-Q358 HydrophobicContact CD2-CG 4.05Å; Y340-Q358 HydrophobicContact CE1-CG 3.68Å; Y340-Q358 VanDerWaalsContact CE1-OE1 3.26Å; Y340-Q358 HydrophobicContact CE2-CB 3.91Å; Y340-Q358 HydrophobicContact CE2-CG 3.68Å; Y340-Q358 HydrophobicContact CG-CG 4.21Å; Y340-Q358 VanDerWaalsContact CZ-CG 3.48Å; Y340-Q358 PolarHBondContact OH-OE1 2.95Å
341	L	97.6	Very high	94.5	Very high	108 Å²	108	57.6 Å²	57.6	57%	0.565	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	141	-176.7	-54.6	-176.5	0	0	0	111.5	D324 P329 Q339	D324-L341 HydrophobicContact CB-CD2 4.06Å; D324-L341 CarbonylContact O-C 3.51Å; D324-L341 WeakPolarHBondContact O-CA 3.45Å; P329-L341 HydrophobicContact CB-CD2 3.59Å; P329-L341 HydrophobicContact CG-CD1 3.89Å; P329-L341 HydrophobicContact CG-CD2 3.8Å; P329-L341 HydrophobicContact CG-CG 4.42Å; Q339-L341 HydrophobicContact CG-CD2 4.16Å
342	M	95.4	Very high	94.6	Very high	25 Å²	25	52.3 Å²	52.3	12%	0.123	28%	0.283	C	S	.	.			trans	-121.2	160.3	179.4	-68.5	-177.9	76	0	0	111.2	A323 D324 D325 F344 K346 A350 G351 L354	A323-M342 HydrophobicContact CB-SD 4.03Å; D324-M342 WeakPolarHBondContact O-CB 3.14Å; D324-M342 PolarHBondContact O-N 3.06Å; D325-M342 HydrophobicContact CB-CB 3.78Å; D325-M342 HydrophobicContact CB-SD 4.42Å; M342-F344 PolarHBondContact O-N 3.41Å; M342-K346 HydrophobicContact CE-CB 3.86Å; M342-K346 HydrophobicContact CE-CG 3.73Å; M342-A350 VanDerWaalsContact CE-C 3.47Å; M342-A350 HydrophobicContact CE-CB 3.74Å; M342-G351 WeakPolarHBondContact SD-CA 3.48Å; M342-L354 HydrophobicContact CG-CD2 3.19Å; M342-L354 HydrophobicContact SD-CB 4.32Å; M342-L354 HydrophobicContact SD-CD2 3.77Å
343	P	95.1	Very high	94.7	Very high	92 Å²	92	53.6 Å²	53.6	60%	0.597	29%	0.289	S	S	*	.	S	Bend	trans	-52.8	140.9	166	-24.8	34.6	0	0	0	111.3	G345 K346	P343-G345 PolarHBondContact O-N 3.4Å; P343-K346 HydrophobicContact CB-CB 4.47Å; P343-K346 VanDerWaalsContact O-CB 3.26Å; P343-K346 WeakPolarHBondContact O-CB 3.35Å; P343-K346 PolarHBondContact O-N 3.44Å; P343-K346 VanDerWaalsContact O-N 3.11Å
344	F	94.7	Very high	95	Very high	99 Å²	99	49.5 Å²	49.5	43%	0.434	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	126.5	-176	171.3	-126	0	0	0	112.8	F298 D325 K327 M342 K346 F514	F298-F344 AromaticContact CE2-CD2 3.96Å; F298-F344 HydrophobicContact CE2-CD2 3.96Å; F298-F344 AromaticContact CE2-CE2 3.57Å; F298-F344 HydrophobicContact CE2-CE2 3.57Å; F298-F344 AromaticContact CZ-CE2 3.77Å; F298-F344 HydrophobicContact CZ-CE2 3.77Å; F298-F344 HydrophobicContact CZ-CZ 4.4Å; D325-F344 CarbonylContact O-C 3.6Å; D325-F344 WeakPolarHBondContact O-CA 3.34Å; K327-F344 VanDerWaalsContact CA-CD2 3.49Å; K327-F344 HydrophobicContact CB-CB 4.43Å; K327-F344 HydrophobicContact CB-CD1 4.4Å; K327-F344 HydrophobicContact CB-CD2 3.44Å; K327-F344 VanDerWaalsContact CB-CD2 3.44Å; K327-F344 HydrophobicContact CB-CE2 3.63Å; K327-F344 HydrophobicContact CB-CG 3.84Å; K327-F344 HydrophobicContact CB-CZ 4.2Å; K327-F344 HydrophobicContact CD-CD1 4.5Å; K327-F344 HydrophobicContact CD-CE1 4.42Å; K327-F344 HydrophobicContact CG-CD1 4.38Å; K327-F344 HydrophobicContact CG-CD2 4.23Å; K327-F344 HydrophobicContact CG-CG 4.13Å; M342-F344 PolarHBondContact O-N 3.41Å; F344-K346 PolarHBondContact O-N 3.29Å; F344-K346 VanDerWaalsContact O-N 3.16Å; F344-F514 HydrophobicContact CE1-CZ 4.05Å; F344-F514 HydrophobicContact CE2-CZ 4.35Å; F344-F514 HydrophobicContact CZ-CE1 4.25Å; F344-F514 HydrophobicContact CZ-CE2 4.03Å; F344-F514 AromaticContact CZ-CZ 3.49Å; F344-F514 HydrophobicContact CZ-CZ 3.49Å; F344-F514 VanDerWaalsContact CZ-CZ 3.49Å
345	G	90.3	Very high	95.2	Very high	12 Å²	12	47.5 Å²	47.5	12%	0.124	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	20.4	174.6	0	0	0	0	0	114.2	D325 P343 G347 R468	D325-G345 PolarHBondContact O-N 2.89Å; P343-G345 PolarHBondContact O-N 3.4Å; G345-G347 PolarHBondContact O-N 3.05Å; G345-G347 VanDerWaalsContact O-N 3.1Å; G345-R468 PolarHBondContact O-NH1 2.91Å; G345-R468 PolarHBondContact O-NH2 3.38Å
346	K	91.3	Very high	95.4	Very high	113 Å²	113	43.7 Å²	43.7	49%	0.491	22%	0.217	S	C	.	.			trans	-54.8	-31.4	-178.3	-172.7	63.8	174.9	-179	0	112.6	D325 M342 P343 F344 A350	D325-K346 PolarHBondContact OD2-N 2.62Å; M342-K346 HydrophobicContact CE-CB 3.86Å; M342-K346 HydrophobicContact CE-CG 3.73Å; P343-K346 HydrophobicContact CB-CB 4.47Å; P343-K346 VanDerWaalsContact O-CB 3.26Å; P343-K346 WeakPolarHBondContact O-CB 3.35Å; P343-K346 PolarHBondContact O-N 3.44Å; P343-K346 VanDerWaalsContact O-N 3.11Å; F344-K346 PolarHBondContact O-N 3.29Å; F344-K346 VanDerWaalsContact O-N 3.16Å; K346-A350 HydrophobicContact CG-CB 3.73Å
347	G	89.6	Confident	95.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.			trans	107.9	175.3	166.2	0	0	0	0	0	115.9	D325 G345 G351 S467	D325-G347 PolarHBondContact OD2-N 2.88Å; G345-G347 PolarHBondContact O-N 3.05Å; G345-G347 VanDerWaalsContact O-N 3.1Å; G347-G351 PolarHBondContact O-N 3.46Å; G347-S467 CarbonylContact C-O 3.56Å; G347-S467 WeakPolarHBondContact CA-O 3.24Å
348	W	88.3	Confident	95.5	Very high	41 Å²	41	43.7 Å²	43.7	16%	0.155	22%	0.223	C	C	.	.	H	α-helix	trans	-68.3	-53.3	-162	-170.3	63.2	0	0	0	112.5	A350 G351 R352 N448 S467 G470	W348-A350 PolarHBondContact O-N 3.42Å; W348-G351 PolarHBondContact O-N 3.37Å; W348-G351 VanDerWaalsContact O-N 3.1Å; W348-R352 WeakPolarHBondContact O-CG 3.46Å; W348-R352 PolarHBondContact O-N 3.2Å; W348-N448 WeakPolarHBondContact CH2-ND2 2.99Å; W348-N448 WeakPolarHBondContact CH2-OD1 3.3Å; W348-S467 PolarHBondContact N-O 3.39Å; W348-G470 WeakPolarHBondContact CZ3-O 3.26Å
349	F	93.1	Very high	95.5	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-64.2	-39.5	-178.6	-80.6	52.5	0	0	0	112.3	G351 R352 N353 F462 D463 L466	F349-G351 VanDerWaalsContact C-N 3.31Å; F349-G351 PolarHBondContact O-N 2.78Å; F349-R352 WeakPolarHBondContact O-CB 3.32Å; F349-R352 PolarHBondContact O-N 2.97Å; F349-N353 PolarHBondContact O-N 3.02Å; F349-F462 HydrophobicContact CB-CB 3.82Å; F349-F462 HydrophobicContact CD2-CB 3.6Å; F349-F462 HydrophobicContact CD2-CD1 4.24Å; F349-F462 HydrophobicContact CD2-CG 4.43Å; F349-F462 HydrophobicContact CE2-CB 4.44Å; F349-F462 HydrophobicContact CE2-CD1 4.36Å; F349-F462 HydrophobicContact CG-CB 3.94Å; F349-D463 VanDerWaalsContact CB-O 3.22Å; F349-D463 WeakPolarHBondContact CB-O 2.96Å; F349-D463 VanDerWaalsContact CD2-O 3.3Å; F349-D463 WeakPolarHBondContact CD2-O 3.46Å; F349-L466 HydrophobicContact CB-CB 4.44Å; F349-L466 WeakPolarHBondContact CB-O 3.07Å; F349-L466 HydrophobicContact CD1-CB 3.87Å; F349-L466 VanDerWaalsContact CD1-O 3.32Å; F349-L466 WeakPolarHBondContact CD1-O 3.42Å; F349-L466 HydrophobicContact CD2-CB 3.87Å; F349-L466 HydrophobicContact CD2-CD1 3.94Å; F349-L466 HydrophobicContact CE1-CB 4.03Å; F349-L466 HydrophobicContact CE1-CD1 4.42Å; F349-L466 HydrophobicContact CE2-CB 4.09Å; F349-L466 HydrophobicContact CE2-CD1 3.46Å; F349-L466 VanDerWaalsContact CE2-CD1 3.46Å; F349-L466 HydrophobicContact CE2-CG 4.42Å; F349-L466 HydrophobicContact CG-CB 3.82Å; F349-L466 WeakPolarHBondContact CG-O 3.49Å; F349-L466 HydrophobicContact CZ-CB 4.18Å; F349-L466 HydrophobicContact CZ-CD1 3.76Å
350	A	95.2	Very high	95.3	Very high	11 Å²	11	43 Å²	43	9%	0.091	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-40	174.2	0	0	0	0	0	111.9	M342 K346 W348 N353 L354 P464	M342-A350 VanDerWaalsContact CE-C 3.47Å; M342-A350 HydrophobicContact CE-CB 3.74Å; K346-A350 HydrophobicContact CG-CB 3.73Å; W348-A350 PolarHBondContact O-N 3.42Å; A350-N353 PolarHBondContact O-N 3.18Å; A350-L354 PolarHBondContact O-N 3.2Å; A350-P464 HydrophobicContact CB-CB 3.99Å
351	G	95.9	Very high	95.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-68.1	-36.6	175.2	0	0	0	0	0	113.4	A323 M342 G347 W348 F349 N353 L354 A355	A323-G351 VanDerWaalsContact CB-O 3.31Å; A323-G351 WeakPolarHBondContact CB-O 3.5Å; M342-G351 WeakPolarHBondContact SD-CA 3.48Å; G347-G351 PolarHBondContact O-N 3.46Å; W348-G351 PolarHBondContact O-N 3.37Å; W348-G351 VanDerWaalsContact O-N 3.1Å; F349-G351 VanDerWaalsContact C-N 3.31Å; F349-G351 PolarHBondContact O-N 2.78Å; G351-N353 PolarHBondContact O-N 3.46Å; G351-L354 PolarHBondContact O-N 2.88Å; G351-A355 PolarHBondContact O-N 3.04Å
352	R	96.1	Very high	95.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.3	-49.5	171.1	-61.9	-162.6	157.5	-178.2	-14.8	111.5	W348 F349 L354 A355 V356 W366 N448 F462	W348-R352 WeakPolarHBondContact O-CG 3.46Å; W348-R352 PolarHBondContact O-N 3.2Å; F349-R352 WeakPolarHBondContact O-CB 3.32Å; F349-R352 PolarHBondContact O-N 2.97Å; R352-L354 VanDerWaalsContact C-N 3.34Å; R352-L354 PolarHBondContact O-N 2.92Å; R352-A355 PolarHBondContact O-N 2.73Å; R352-V356 WeakPolarHBondContact O-CB 3.35Å; R352-V356 VanDerWaalsContact O-CG2 3.26Å; R352-V356 WeakPolarHBondContact O-CG2 3.27Å; R352-V356 PolarHBondContact O-N 2.9Å; R352-W366 HydrophobicContact CB-CE3 4.47Å; R352-W366 HydrophobicContact CB-CH2 4.08Å; R352-W366 HydrophobicContact CB-CZ3 3.95Å; R352-W366 HydrophobicContact CG-CD2 4.38Å; R352-W366 HydrophobicContact CG-CE3 4.18Å; R352-W366 HydrophobicContact CG-CH2 3.45Å; R352-W366 VanDerWaalsContact CG-CH2 3.45Å; R352-W366 HydrophobicContact CG-CZ2 3.63Å; R352-W366 HydrophobicContact CG-CZ3 3.73Å; R352-W366 VanDerWaalsContact NE-CE2 3.28Å; R352-N448 PolarHBondContact NH2-OD1 3.41Å; R352-F462 HydrophobicContact CB-CB 4.28Å; R352-F462 HydrophobicContact CB-CD1 4.3Å; R352-F462 HydrophobicContact CB-CD2 3.38Å; R352-F462 HydrophobicContact CB-CE2 3.69Å; R352-F462 HydrophobicContact CB-CG 3.72Å; R352-F462 HydrophobicContact CB-CZ 4.28Å; R352-F462 VanDerWaalsContact CD-CE1 3.47Å; R352-F462 HydrophobicContact CG-CD1 4.49Å; R352-F462 HydrophobicContact CG-CD2 4.35Å; R352-F462 HydrophobicContact CG-CE2 4.48Å; R352-F462 HydrophobicContact CG-CG 4.36Å
353	N	97.6	Very high	95.3	Very high	54 Å²	54	34.3 Å²	34.3	29%	0.289	19%	0.187	S	C	.	.	H	α-helix	trans	-59.6	-44.6	177.6	-75.3	-26.4	0	0	0	112.1	F349 A350 G351 S357 F462	F349-N353 PolarHBondContact O-N 3.02Å; A350-N353 PolarHBondContact O-N 3.18Å; G351-N353 PolarHBondContact O-N 3.46Å; N353-S357 VanDerWaalsContact O-CB 3.24Å; N353-S357 WeakPolarHBondContact O-CB 3.24Å; N353-S357 PolarHBondContact O-N 2.83Å; N353-S357 PolarHBondContact O-OG 2.95Å; N353-F462 PolarHBondContact ND2-O 3.43Å; N353-F462 WeakPolarHBondContact OD1-CD2 3.19Å; N353-F462 PolarHBondContact OD1-N 2.74Å
354	L	98.1	Very high	95.4	Very high	41 Å²	41	30 Å²	30	22%	0.215	16%	0.159	C	C	.	.	H	α-helix	trans	-59.6	-55.3	178	178	61.3	0	0	0	110.5	A323 M342 A350 G351 R352 V356 S357 Q358	A323-L354 HydrophobicContact CB-CB 4.49Å; A323-L354 HydrophobicContact CB-CD2 4.37Å; M342-L354 HydrophobicContact CG-CD2 3.19Å; M342-L354 HydrophobicContact SD-CB 4.32Å; M342-L354 HydrophobicContact SD-CD2 3.77Å; A350-L354 PolarHBondContact O-N 3.2Å; G351-L354 PolarHBondContact O-N 2.88Å; R352-L354 VanDerWaalsContact C-N 3.34Å; R352-L354 PolarHBondContact O-N 2.92Å; L354-V356 PolarHBondContact O-N 3.31Å; L354-S357 PolarHBondContact O-N 2.88Å; L354-S357 VanDerWaalsContact O-N 3.15Å; L354-S357 PolarHBondContact O-OG 3.38Å; L354-Q358 WeakPolarHBondContact O-CG 3.4Å; L354-Q358 PolarHBondContact O-N 2.84Å
355	A	98.4	Very high	95.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.7	-48.4	-178.8	0	0	0	0	0	111.8	A294 I321 A323 G351 R352 S357 Q358 W366	A294-A355 HydrophobicContact CB-CB 4Å; I321-A355 HydrophobicContact CG2-CB 3.97Å; A323-A355 HydrophobicContact CB-CB 4.16Å; G351-A355 PolarHBondContact O-N 3.04Å; R352-A355 PolarHBondContact O-N 2.73Å; A355-S357 VanDerWaalsContact C-N 3.28Å; A355-S357 PolarHBondContact O-N 2.8Å; A355-Q358 PolarHBondContact O-N 2.83Å; A355-Q358 VanDerWaalsContact O-N 3.1Å; A355-W366 HydrophobicContact CB-CZ3 4.36Å
356	V	98.2	Very high	96	Very high	5 Å²	5	25 Å²	25	3%	0.03	13%	0.133	C	C	.	.	H	α-helix	trans	-64.3	-30.8	179.4	173.9	0	0	0	0	112	R352 L354 Q358 V359 V364 V457 R458 F462	R352-V356 WeakPolarHBondContact O-CB 3.35Å; R352-V356 VanDerWaalsContact O-CG2 3.26Å; R352-V356 WeakPolarHBondContact O-CG2 3.27Å; R352-V356 PolarHBondContact O-N 2.9Å; L354-V356 PolarHBondContact O-N 3.31Å; V356-Q358 PolarHBondContact O-N 3.11Å; V356-V359 PolarHBondContact O-N 2.87Å; V356-V364 HydrophobicContact CG2-CG2 4.33Å; V356-V457 HydrophobicContact CG1-CB 4.35Å; V356-V457 HydrophobicContact CG1-CG1 4Å; V356-V457 HydrophobicContact CG2-CG1 4.22Å; V356-R458 HydrophobicContact CG1-CG 3.71Å; V356-R458 VanDerWaalsContact O-CZ 3.29Å; V356-R458 PolarHBondContact O-NE 2.94Å; V356-R458 PolarHBondContact O-NH2 2.93Å; V356-F462 HydrophobicContact CG2-CE2 4.39Å
357	S	97.9	Very high	96.3	Very high	58 Å²	58	19.6 Å²	19.6	41%	0.406	11%	0.11	S	C	.	.	H	α-helix	trans	-65.8	-20.8	176.6	73.3	0	0	0	0	113.6	N353 L354 A355 R458	N353-S357 VanDerWaalsContact O-CB 3.24Å; N353-S357 WeakPolarHBondContact O-CB 3.24Å; N353-S357 PolarHBondContact O-N 2.83Å; N353-S357 PolarHBondContact O-OG 2.95Å; L354-S357 PolarHBondContact O-N 2.88Å; L354-S357 VanDerWaalsContact O-N 3.15Å; L354-S357 PolarHBondContact O-OG 3.38Å; A355-S357 VanDerWaalsContact C-N 3.28Å; A355-S357 PolarHBondContact O-N 2.8Å; S357-R458 VanDerWaalsContact C-NH2 3.28Å; S357-R458 PolarHBondContact O-NH2 2.94Å
358	Q	98.3	Very high	96.6	Very high	65 Å²	65	20.9 Å²	20.9	30%	0.304	12%	0.117	S	C	.	.	H	α-helix	trans	-93.5	-14	180	-53.9	-53.1	-63.7	0	0	112.8	I321 Y340 L354 A355 V356 T360	I321-Q358 HydrophobicContact CD1-CB 3.77Å; I321-Q358 HydrophobicContact CG2-CB 4.21Å; Y340-Q358 HydrophobicContact CD1-CG 4.05Å; Y340-Q358 HydrophobicContact CD2-CG 4.05Å; Y340-Q358 HydrophobicContact CE1-CG 3.68Å; Y340-Q358 VanDerWaalsContact CE1-OE1 3.26Å; Y340-Q358 HydrophobicContact CE2-CB 3.91Å; Y340-Q358 HydrophobicContact CE2-CG 3.68Å; Y340-Q358 HydrophobicContact CG-CG 4.21Å; Y340-Q358 VanDerWaalsContact CZ-CG 3.48Å; Y340-Q358 PolarHBondContact OH-OE1 2.95Å; L354-Q358 WeakPolarHBondContact O-CG 3.4Å; L354-Q358 PolarHBondContact O-N 2.84Å; A355-Q358 PolarHBondContact O-N 2.83Å; A355-Q358 VanDerWaalsContact O-N 3.1Å; V356-Q358 PolarHBondContact O-N 3.11Å; Q358-T360 PolarHBondContact O-N 3.17Å
359	V	98	Very high	96.9	Very high	1 Å²	1	19 Å²	19	1%	0.006	11%	0.11	C	C	.	.			trans	-65.9	123.3	180	177.2	0	0	0	0	112.5	T292 I321 V356 T361 V364 T454 R458	T292-V359 HydrophobicContact CG2-CG1 4.4Å; T292-V359 HydrophobicContact CG2-CG2 3.94Å; I321-V359 HydrophobicContact CD1-CG2 4.06Å; V356-V359 PolarHBondContact O-N 2.87Å; V359-T361 WeakPolarHBondContact CG1-OG1 3.43Å; V359-V364 HydrophobicContact CG1-CB 4.22Å; V359-V364 HydrophobicContact CG2-CB 4.21Å; V359-V364 HydrophobicContact CG2-CG2 3.84Å; V359-T454 HydrophobicContact CB-CG2 3.89Å; V359-T454 HydrophobicContact CG1-CG2 3.72Å; V359-R458 VanDerWaalsContact O-CZ 3.26Å; V359-R458 PolarHBondContact O-NH1 2.72Å; V359-R458 PolarHBondContact O-NH2 2.9Å
360	T	95.3	Very high	97	Very high	111 Å²	111	19.9 Å²	19.9	68%	0.681	12%	0.115	S	C	*	.			trans	-101.9	-15.4	177.5	55.8	0	0	0	0	113.5	Q358	Q358-T360 PolarHBondContact O-N 3.17Å
361	T	96.1	Very high	97.1	Very high	16 Å²	16	19.5 Å²	19.5	10%	0.098	11%	0.111	C	C	.	.	S	Bend	trans	-77	160.9	-178.3	57.8	0	0	0	0	112.8	L290 T292 V359 Y363 T454	L290-T361 WeakPolarHBondContact O-CB 3.42Å; T292-T361 WeakPolarHBondContact CB-OG1 3.45Å; T292-T361 PolarHBondContact N-OG1 3.33Å; T292-T361 VanDerWaalsContact OG1-CG2 3.26Å; T292-T361 WeakPolarHBondContact OG1-CG2 3.24Å; T292-T361 PolarHBondContact OG1-OG1 3.06Å; V359-T361 WeakPolarHBondContact CG1-OG1 3.43Å; T361-Y363 PolarHBondContact O-N 3.11Å; T361-Y363 PolarHBondContact OG1-O 3.43Å; T361-T454 WeakPolarHBondContact O-CB 3.38Å; T361-T454 PolarHBondContact O-OG1 2.99Å
362	K	95.6	Very high	97.2	Very high	1 Å²	1	21.7 Å²	21.7	0%	0.004	12%	0.122	C	C	.	.	S	Bend	trans	-56.1	-38.4	179.6	-172.7	172.5	-177.5	-178.5	0	112.8	E137 Y277 L290 E387 T454	E137-K362 VanDerWaalsContact CD-NZ 3.35Å; E137-K362 IonicContact OE1-NZ 2.7Å; E137-K362 PolarHBondContact OE1-NZ 3.15Å; E137-K362 IonicContact OE2-NZ 2.96Å; E137-K362 PolarHBondContact OE2-NZ 3.31Å; Y277-K362 HydrophobicContact CD1-CB 3.9Å; Y277-K362 HydrophobicContact CD2-CB 3.91Å; Y277-K362 HydrophobicContact CD2-CD 4.21Å; Y277-K362 HydrophobicContact CD2-CG 3.62Å; Y277-K362 VanDerWaalsContact CE1-CA 3.48Å; Y277-K362 HydrophobicContact CE1-CB 4.31Å; Y277-K362 HydrophobicContact CE2-CB 4.31Å; Y277-K362 HydrophobicContact CE2-CG 4Å; Y277-K362 HydrophobicContact CG-CB 3.68Å; Y277-K362 HydrophobicContact CG-CD 4.41Å; Y277-K362 HydrophobicContact CG-CG 3.9Å; L290-K362 HydrophobicContact CD2-CD 4.41Å; L290-K362 PolarHBondContact O-N 2.81Å; K362-E387 VanDerWaalsContact CE-OE1 3.25Å; K362-E387 WeakPolarHBondContact CE-OE1 3.23Å; K362-E387 VanDerWaalsContact NZ-CD 3.28Å; K362-E387 IonicContact NZ-OE1 2.64Å; K362-E387 PolarHBondContact NZ-OE1 2.91Å; K362-E387 IonicContact NZ-OE2 3.72Å; K362-E387 PolarHBondContact NZ-OE2 2.86Å; K362-E387 VanDerWaalsContact NZ-OE2 3.07Å; K362-T454 PolarHBondContact O-N 2.86Å; K362-T454 PolarHBondContact O-OG1 3.45Å
363	Y	97.9	Very high	97.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.9	-178.6	-57.5	-71.6	0	0	0	111.9	L290 V291 T292 T361 V383 L386 E387 M451 A452 R453	L290-Y363 HydrophobicContact CB-CD2 4.45Å; L290-Y363 WeakPolarHBondContact O-CB 3.45Å; L290-Y363 PolarHBondContact O-N 3.43Å; V291-Y363 WeakPolarHBondContact CA-O 3.42Å; T292-Y363 PolarHBondContact N-O 2.89Å; T292-Y363 VanDerWaalsContact N-O 3.1Å; T361-Y363 PolarHBondContact O-N 3.11Å; T361-Y363 PolarHBondContact OG1-O 3.43Å; Y363-V383 HydrophobicContact CD2-CG2 4.31Å; Y363-V383 HydrophobicContact CE2-CG1 4.29Å; Y363-L386 HydrophobicContact CD1-CB 4.42Å; Y363-L386 HydrophobicContact CD1-CD1 3.51Å; Y363-L386 HydrophobicContact CE1-CB 3.6Å; Y363-L386 HydrophobicContact CE1-CD1 3.55Å; Y363-L386 HydrophobicContact CE1-CG 4.17Å; Y363-L386 HydrophobicContact CG-CD1 4.33Å; Y363-E387 VanDerWaalsContact CE2-OE1 3.31Å; Y363-E387 WeakPolarHBondContact CE2-OE1 3.34Å; Y363-E387 PolarHBondContact OH-OE1 2.88Å; Y363-M451 HydrophobicContact CG-CG 4.49Å; Y363-M451 HydrophobicContact CG-SD 4.31Å; Y363-A452 VanDerWaalsContact CA-O 3.29Å; Y363-A452 WeakPolarHBondContact CA-O 3.24Å; Y363-R453 HydrophobicContact CD1-CG 4.11Å; Y363-R453 HydrophobicContact CE1-CG 3.66Å; Y363-R453 PolarHBondContact OH-NH2 3.13Å
364	V	98.7	Very high	97.3	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.012	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.8	167.4	60.1	0	0	0	0	108.8	T292 A294 V356 V359 M451 A452 T454 V457	T292-V364 WeakPolarHBondContact O-CA 3.4Å; A294-V364 HydrophobicContact CB-CG2 3.65Å; V356-V364 HydrophobicContact CG2-CG2 4.33Å; V359-V364 HydrophobicContact CG1-CB 4.22Å; V359-V364 HydrophobicContact CG2-CB 4.21Å; V359-V364 HydrophobicContact CG2-CG2 3.84Å; V364-M451 CarbonylContact O-C 3.35Å; V364-M451 VanDerWaalsContact O-CA 3.32Å; V364-M451 WeakPolarHBondContact O-CA 3.4Å; V364-A452 PolarHBondContact N-O 2.81Å; V364-A452 PolarHBondContact O-N 3.12Å; V364-T454 PolarHBondContact N-OG1 3.32Å; V364-V457 HydrophobicContact CG1-CG2 4.11Å
365	L	98.8	Very high	97.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.4	165.8	-178.6	79.8	0	0	0	108.7	V291 T292 I293 A294 V367 F373 L379 M382 F449 F450 M451	V291-L365 HydrophobicContact CG1-CB 4.06Å; T292-L365 PolarHBondContact O-N 2.76Å; I293-L365 HydrophobicContact CD1-CD2 4.36Å; I293-L365 HydrophobicContact CG1-CB 4.32Å; I293-L365 HydrophobicContact CG1-CD2 3.92Å; I293-L365 HydrophobicContact CG2-CD2 4.46Å; A294-L365 PolarHBondContact N-O 3.35Å; L365-V367 HydrophobicContact CD2-CG1 3.71Å; L365-V367 HydrophobicContact CG-CG1 3.97Å; L365-F373 HydrophobicContact CD2-CE2 4.5Å; L365-F373 HydrophobicContact CD2-CZ 3.67Å; L365-L379 HydrophobicContact CD1-CD2 4.09Å; L365-L379 HydrophobicContact CD2-CD2 3.49Å; L365-L379 VanDerWaalsContact CD2-CD2 3.49Å; L365-L379 HydrophobicContact CG-CD2 4.34Å; L365-M382 HydrophobicContact CD1-CE 4.14Å; L365-M382 HydrophobicContact CD1-SD 3.81Å; L365-F449 HydrophobicContact CD1-CD2 4.38Å; L365-F449 HydrophobicContact CD1-CE2 3.89Å; L365-F449 HydrophobicContact CD2-CE2 4.22Å; L365-F449 HydrophobicContact CG-CE2 4.42Å; L365-F450 WeakPolarHBondContact CA-O 3.32Å; L365-M451 HydrophobicContact CD1-CB 3.95Å; L365-M451 HydrophobicContact CD1-CE 4.38Å
366	W	98.4	Very high	97.2	Very high	4 Å²	4	25 Å²	25	2%	0.015	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	130.3	169.7	-175.5	-88.6	0	0	0	110.7	A294 K296 R352 A355 D368 F450	A294-W366 HydrophobicContact CB-CE3 4.1Å; A294-W366 HydrophobicContact CB-CZ3 4.18Å; K296-W366 HydrophobicContact CB-CH2 3.73Å; K296-W366 HydrophobicContact CB-CZ2 4.12Å; R352-W366 HydrophobicContact CB-CE3 4.47Å; R352-W366 HydrophobicContact CB-CH2 4.08Å; R352-W366 HydrophobicContact CB-CZ3 3.95Å; R352-W366 HydrophobicContact CG-CD2 4.38Å; R352-W366 HydrophobicContact CG-CE3 4.18Å; R352-W366 HydrophobicContact CG-CH2 3.45Å; R352-W366 VanDerWaalsContact CG-CH2 3.45Å; R352-W366 HydrophobicContact CG-CZ2 3.63Å; R352-W366 HydrophobicContact CG-CZ3 3.73Å; R352-W366 VanDerWaalsContact NE-CE2 3.28Å; A355-W366 HydrophobicContact CB-CZ3 4.36Å; W366-D368 PolarHBondContact NE1-OD1 3.19Å; W366-F450 HydrophobicContact CB-CD1 4.45Å; W366-F450 HydrophobicContact CB-CD2 4.31Å; W366-F450 HydrophobicContact CB-CE1 4.02Å; W366-F450 HydrophobicContact CB-CE2 3.87Å; W366-F450 HydrophobicContact CB-CZ 3.71Å; W366-F450 HydrophobicContact CG-CE1 4.33Å; W366-F450 HydrophobicContact CG-CZ 4.2Å; W366-F450 PolarHBondContact N-O 2.83Å
367	V	98	Very high	97.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.148	C	C	.	.			trans	-134.4	142	173.1	-59.6	0	0	0	0	110.7	I293 A294 T295 L307 L365 F371 F373 F449	I293-V367 HydrophobicContact CG2-CG1 4.25Å; I293-V367 HydrophobicContact CG2-CG2 3.54Å; A294-V367 PolarHBondContact O-N 2.8Å; A294-V367 VanDerWaalsContact O-N 3.11Å; T295-V367 WeakPolarHBondContact CB-O 3.42Å; T295-V367 PolarHBondContact OG1-O 2.78Å; L307-V367 HydrophobicContact CD1-CG2 4.27Å; L307-V367 HydrophobicContact CD2-CG2 3.81Å; L365-V367 HydrophobicContact CD2-CG1 3.71Å; L365-V367 HydrophobicContact CG-CG1 3.97Å; V367-F371 HydrophobicContact CB-CD2 3.86Å; V367-F371 HydrophobicContact CG1-CD2 4.31Å; V367-F373 HydrophobicContact CG1-CE2 4Å; V367-F373 HydrophobicContact CG1-CZ 4.22Å; V367-F449 HydrophobicContact CG1-CD2 4.13Å; V367-F449 HydrophobicContact CG1-CE2 4.29Å
368	D	95.4	Very high	97.1	Very high	28 Å²	28	26.4 Å²	26.4	15%	0.15	15%	0.148	C	C	.	.			trans	-77.4	149.5	167.7	-67.7	-18.3	0	0	0	109.6	W366 D370 F371	W366-D368 PolarHBondContact NE1-OD1 3.19Å; D368-D370 PolarHBondContact O-N 3.04Å; D368-F371 HydrophobicContact CB-CD1 4.24Å; D368-F371 HydrophobicContact CB-CD2 4.45Å; D368-F371 HydrophobicContact CB-CE1 3.93Å; D368-F371 HydrophobicContact CB-CE2 4.14Å; D368-F371 HydrophobicContact CB-CG 4.49Å; D368-F371 HydrophobicContact CB-CZ 3.87Å; D368-F371 WeakPolarHBondContact O-CB 3.44Å; D368-F371 PolarHBondContact O-N 2.93Å; D368-F371 VanDerWaalsContact O-N 3.14Å
369	D	94.6	Very high	97.1	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	0.7	-172.6	65.3	-22.1	0	0	0	114.2	T297 R300 K303 L304	T297-D369 VanDerWaalsContact CA-OD2 3.31Å; T297-D369 WeakPolarHBondContact CA-OD2 3.29Å; T297-D369 WeakPolarHBondContact CB-OD2 3.37Å; T297-D369 PolarHBondContact OG1-OD2 3.37Å; R300-D369 IonicContact CZ-OD1 3.25Å; R300-D369 IonicContact CZ-OD2 3.24Å; R300-D369 IonicContact NE-OD1 3.89Å; R300-D369 PolarHBondContact NE-OD1 3.05Å; R300-D369 IonicContact NE-OD2 3.45Å; R300-D369 PolarHBondContact NE-OD2 3.35Å; R300-D369 IonicContact NH1-OD1 2.77Å; R300-D369 IonicContact NH2-OD1 3.05Å; R300-D369 PolarHBondContact NH2-OD1 3.01Å; R300-D369 IonicContact NH2-OD2 3.11Å; K303-D369 CarbonylContact C-O 3.46Å; K303-D369 VanDerWaalsContact CB-O 3.25Å; K303-D369 WeakPolarHBondContact CB-O 3.46Å; L304-D369 HydrophobicContact CB-CB 4.42Å; L304-D369 HydrophobicContact CD1-CB 4.38Å; L304-D369 PolarHBondContact N-O 3.29Å
370	D	94.3	Very high	97	Very high	19 Å²	19	27 Å²	27	10%	0.102	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	14.6	175.4	56.8	4.8	0	0	0	113.5	R300 K303 D368 H494 A495	R300-D370 IonicContact CZ-OD2 2.73Å; R300-D370 IonicContact NH1-OD2 3.6Å; R300-D370 PolarHBondContact NH1-OD2 2.94Å; K303-D370 HydrophobicContact CB-CB 4.18Å; K303-D370 HydrophobicContact CG-CB 4.38Å; D368-D370 PolarHBondContact O-N 3.04Å; D370-H494 IonicContact OD1-CE1 2.58Å; D370-H494 IonicContact OD1-NE2 3.43Å; D370-H494 PolarHBondContact OD1-NE2 3.23Å; D370-H494 IonicContact OD2-CE1 3.8Å; D370-H494 PolarHBondContact OD2-CE1 3.45Å; D370-H494 IonicContact OD2-NE2 3.48Å; D370-A495 HydrophobicContact CB-CB 4.27Å; D370-A495 VanDerWaalsContact O-CB 3.28Å; D370-A495 WeakPolarHBondContact O-CB 3.37Å; D370-A495 PolarHBondContact O-N 2.88Å
371	F	97.8	Very high	97	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.018	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	153.9	169.3	-70.3	-5	0	0	0	112.2	L307 V367 D368 V398 N448 F449 V492 S493 H494	L307-F371 WeakPolarHBondContact CA-O 3.49Å; L307-F371 WeakPolarHBondContact CB-O 3.36Å; L307-F371 HydrophobicContact CD1-CB 4.16Å; L307-F371 WeakPolarHBondContact CD1-O 3.44Å; V367-F371 HydrophobicContact CB-CD2 3.86Å; V367-F371 HydrophobicContact CG1-CD2 4.31Å; D368-F371 HydrophobicContact CB-CD1 4.24Å; D368-F371 HydrophobicContact CB-CD2 4.45Å; D368-F371 HydrophobicContact CB-CE1 3.93Å; D368-F371 HydrophobicContact CB-CE2 4.14Å; D368-F371 HydrophobicContact CB-CG 4.49Å; D368-F371 HydrophobicContact CB-CZ 3.87Å; D368-F371 WeakPolarHBondContact O-CB 3.44Å; D368-F371 PolarHBondContact O-N 2.93Å; D368-F371 VanDerWaalsContact O-N 3.14Å; F371-V398 HydrophobicContact CE1-CG1 4.13Å; F371-V398 HydrophobicContact CE1-CG2 4.3Å; F371-V398 HydrophobicContact CE2-CG2 4.48Å; F371-V398 HydrophobicContact CZ-CG2 3.96Å; F371-N448 VanDerWaalsContact CE2-O 3.25Å; F371-N448 WeakPolarHBondContact CE2-O 3.28Å; F371-F449 HydrophobicContact CD2-CD2 4.41Å; F371-F449 HydrophobicContact CE2-CB 3.76Å; F371-F449 HydrophobicContact CE2-CD2 4.4Å; F371-F449 HydrophobicContact CE2-CG 4.45Å; F371-F449 HydrophobicContact CZ-CB 4.4Å; F371-V492 HydrophobicContact CB-CG2 3.77Å; F371-V492 HydrophobicContact CD2-CG1 3.89Å; F371-V492 HydrophobicContact CD2-CG2 4.28Å; F371-V492 HydrophobicContact CE2-CG1 4.19Å; F371-V492 HydrophobicContact CG-CG1 4.14Å; F371-V492 HydrophobicContact CG-CG2 4.18Å; F371-S493 CarbonylContact C-O 3.57Å; F371-S493 WeakPolarHBondContact CA-O 3.36Å; F371-H494 AromaticContact CD1-CD2 3.91Å; F371-H494 AromaticContact CE1-CD2 3.63Å
372	I	98.1	Very high	97.1	Very high	46 Å²	46	24.4 Å²	24.4	24%	0.236	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	119.8	-179.9	-55.3	-65.1	0	0	0	108.3	D306 V492 S493 A495	D306-I372 HydrophobicContact CB-CD1 3.63Å; I372-V492 WeakPolarHBondContact O-CG2 3.48Å; I372-S493 PolarHBondContact N-O 3.38Å; I372-S493 WeakPolarHBondContact O-CB 3.46Å; I372-S493 PolarHBondContact O-N 3.44Å; I372-A495 HydrophobicContact CG1-CB 4.49Å
373	F	98.3	Very high	97.1	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.018	13%	0.13	C	C	.	.			trans	-72.5	144.7	176.6	-82.2	-158.4	0	0	0	110.5	I293 S310 I311 F314 Y315 L365 V367 T377 V492	I293-F373 HydrophobicContact CD1-CE1 3.8Å; I293-F373 HydrophobicContact CD1-CZ 3.98Å; S310-F373 PolarHBondContact OG-N 2.72Å; I311-F373 HydrophobicContact CB-CD1 4.2Å; I311-F373 HydrophobicContact CB-CE1 4.4Å; I311-F373 HydrophobicContact CG1-CD1 3.68Å; I311-F373 HydrophobicContact CG1-CD2 4.23Å; I311-F373 HydrophobicContact CG1-CE1 3.68Å; I311-F373 HydrophobicContact CG1-CE2 4.25Å; I311-F373 HydrophobicContact CG1-CG 3.97Å; I311-F373 HydrophobicContact CG1-CZ 3.98Å; I311-F373 HydrophobicContact CG2-CE1 4.4Å; F314-F373 HydrophobicContact CD2-CB 4.01Å; Y315-F373 AromaticContact CD2-CD1 3.84Å; Y315-F373 HydrophobicContact CD2-CD1 3.84Å; Y315-F373 AromaticContact CD2-CE1 3.87Å; Y315-F373 HydrophobicContact CD2-CE1 3.87Å; Y315-F373 HydrophobicContact CE2-CD1 4.01Å; Y315-F373 HydrophobicContact CE2-CE1 4.08Å; L365-F373 HydrophobicContact CD2-CE2 4.5Å; L365-F373 HydrophobicContact CD2-CZ 3.67Å; V367-F373 HydrophobicContact CG1-CE2 4Å; V367-F373 HydrophobicContact CG1-CZ 4.22Å; F373-T377 HydrophobicContact CD1-CG2 4.12Å; F373-T377 HydrophobicContact CD2-CG2 3.73Å; F373-T377 HydrophobicContact CE1-CG2 4.2Å; F373-T377 HydrophobicContact CE2-CG2 3.8Å; F373-T377 HydrophobicContact CG-CG2 3.9Å; F373-T377 HydrophobicContact CZ-CG2 4.04Å; F373-V492 HydrophobicContact CD2-CG2 3.74Å; F373-V492 HydrophobicContact CE2-CG2 4.03Å
374	T	97.7	Very high	96.9	Very high	31 Å²	31	27.3 Å²	27.3	19%	0.19	14%	0.144	C	C	.	.			trans	-137.7	177.5	178.4	70.3	0	0	0	0	109.8	N376 T377 S493	T374-N376 PolarHBondContact O-N 3.49Å; T374-N376 PolarHBondContact OG1-N 3.05Å; T374-T377 PolarHBondContact N-OG1 2.58Å; T374-T377 WeakPolarHBondContact O-CB 3.36Å; T374-T377 PolarHBondContact O-N 3.44Å; T374-T377 PolarHBondContact O-OG1 2.86Å; T374-S493 WeakPolarHBondContact CG2-OG 3.12Å
375	A	97.1	Very high	96.7	Very high	57 Å²	57	27.2 Å²	27.2	47%	0.471	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-20.9	171.9	0	0	0	0	0	113.8	F314 K378	F314-A375 HydrophobicContact CE1-CB 4.19Å; F314-A375 VanDerWaalsContact CZ-N 3.32Å; A375-K378 WeakPolarHBondContact O-CD 3.38Å; A375-K378 WeakPolarHBondContact O-CE 3.18Å; A375-K378 PolarHBondContact O-NZ 2.92Å
376	N	96.8	Very high	96.5	Very high	71 Å²	71	27.2 Å²	27.2	38%	0.38	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-5.1	177.6	-59.5	-50.5	0	0	0	113.9	T374 K378 R399 I491	T374-N376 PolarHBondContact O-N 3.49Å; T374-N376 PolarHBondContact OG1-N 3.05Å; N376-K378 PolarHBondContact O-N 3.41Å; N376-R399 PolarHBondContact ND2-NH1 2.91Å; N376-I491 CarbonylContact C-O 3.59Å; N376-I491 HydrophobicContact CB-CB 4.05Å; N376-I491 PolarHBondContact O-N 3.27Å
377	T	97.9	Very high	96.2	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	15%	0.151	C	C	.	.			trans	-89.6	77.4	179.9	-43.3	0	0	0	0	109.7	Y315 F373 T374 F449 I491 V492	Y315-T377 WeakPolarHBondContact CE2-O 3.37Å; Y315-T377 PolarHBondContact OH-O 2.92Å; F373-T377 HydrophobicContact CD1-CG2 4.12Å; F373-T377 HydrophobicContact CD2-CG2 3.73Å; F373-T377 HydrophobicContact CE1-CG2 4.2Å; F373-T377 HydrophobicContact CE2-CG2 3.8Å; F373-T377 HydrophobicContact CG-CG2 3.9Å; F373-T377 HydrophobicContact CZ-CG2 4.04Å; T374-T377 PolarHBondContact N-OG1 2.58Å; T374-T377 WeakPolarHBondContact O-CB 3.36Å; T374-T377 PolarHBondContact O-N 3.44Å; T374-T377 PolarHBondContact O-OG1 2.86Å; T377-F449 HydrophobicContact CG2-CE2 4.22Å; T377-F449 HydrophobicContact CG2-CZ 3.74Å; T377-I491 WeakPolarHBondContact CA-O 3.42Å; T377-I491 PolarHBondContact N-O 2.68Å; T377-I491 PolarHBondContact OG1-O 2.76Å; T377-V492 HydrophobicContact CG2-CB 4.33Å; T377-V492 HydrophobicContact CG2-CG2 4.39Å
378	K	96.8	Very high	95.8	Very high	93 Å²	93	33.7 Å²	33.7	40%	0.404	17%	0.172	S	C	.	.			trans	-94.4	101.2	-174.7	-60.9	-51.2	-163.9	-164.3	0	112.8	Y315 A375 N376 E380 K381	Y315-K378 WeakPolarHBondContact OH-CA 3.28Å; A375-K378 WeakPolarHBondContact O-CD 3.38Å; A375-K378 WeakPolarHBondContact O-CE 3.18Å; A375-K378 PolarHBondContact O-NZ 2.92Å; N376-K378 PolarHBondContact O-N 3.41Å; K378-E380 VanDerWaalsContact C-N 3.35Å; K378-K381 HydrophobicContact CB-CB 4.09Å; K378-K381 PolarHBondContact O-N 3.04Å
379	L	97.8	Very high	95.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-70.7	-33.6	179.4	-61	-174.5	0	0	0	111.6	I287 V291 I293 Y315 L365 K381 M382 V383 M451	I287-L379 HydrophobicContact CD1-CB 4.44Å; I287-L379 HydrophobicContact CG2-CB 4.04Å; I287-L379 HydrophobicContact CG2-CD1 4.01Å; V291-L379 HydrophobicContact CG1-CD1 4.39Å; I293-L379 HydrophobicContact CD1-CD1 4.41Å; Y315-L379 HydrophobicContact CD1-CD1 3.98Å; Y315-L379 HydrophobicContact CD2-CD1 3.87Å; Y315-L379 HydrophobicContact CD2-CG 4.31Å; Y315-L379 HydrophobicContact CE1-CB 4Å; Y315-L379 HydrophobicContact CE1-CD1 3.88Å; Y315-L379 HydrophobicContact CE1-CG 3.94Å; Y315-L379 HydrophobicContact CE2-CD1 3.78Å; Y315-L379 HydrophobicContact CE2-CG 3.71Å; Y315-L379 HydrophobicContact CG-CD1 3.97Å; Y315-L379 PolarHBondContact OH-N 3.4Å; L365-L379 HydrophobicContact CD1-CD2 4.09Å; L365-L379 HydrophobicContact CD2-CD2 3.49Å; L365-L379 VanDerWaalsContact CD2-CD2 3.49Å; L365-L379 HydrophobicContact CG-CD2 4.34Å; L379-K381 PolarHBondContact O-N 3.46Å; L379-M382 HydrophobicContact CD2-SD 4.38Å; L379-M382 PolarHBondContact O-N 2.53Å; L379-M382 VanDerWaalsContact O-N 3.1Å; L379-V383 WeakPolarHBondContact O-CG2 3.38Å; L379-V383 PolarHBondContact O-N 2.9Å; L379-M451 HydrophobicContact CB-CE 4.06Å; L379-M451 HydrophobicContact CD2-CE 3.98Å
380	E	95.9	Very high	95.5	Very high	78 Å²	78	34.2 Å²	34.2	36%	0.364	18%	0.177	S	C	.	.	H	α-helix	trans	-55.7	-39.7	176.5	-56.3	72.9	-165.2	0	0	111.1	I287 Y315 K378 V383 D384	I287-E380 HydrophobicContact CD1-CB 4.19Å; I287-E380 HydrophobicContact CD1-CG 3.84Å; I287-E380 HydrophobicContact CG1-CG 3.8Å; Y315-E380 WeakPolarHBondContact CE1-OE1 3.39Å; Y315-E380 PolarHBondContact OH-OE2 2.78Å; K378-E380 VanDerWaalsContact C-N 3.35Å; E380-V383 PolarHBondContact O-N 3.41Å; E380-D384 WeakPolarHBondContact O-CB 3.46Å; E380-D384 PolarHBondContact O-N 2.79Å
381	K	95.8	Very high	95.5	Very high	71 Å²	71	33.3 Å²	33.3	31%	0.309	17%	0.172	S	C	.	.	H	α-helix	trans	-67.5	-43.2	178.9	-176.5	161.2	179.8	154.7	0	112	K378 L379 V383 D384 I385 D489 V490	K378-K381 HydrophobicContact CB-CB 4.09Å; K378-K381 PolarHBondContact O-N 3.04Å; L379-K381 PolarHBondContact O-N 3.46Å; K381-V383 VanDerWaalsContact C-N 3.33Å; K381-D384 PolarHBondContact O-N 2.81Å; K381-I385 HydrophobicContact CG-CD1 4.06Å; K381-I385 VanDerWaalsContact O-CD1 3.24Å; K381-I385 WeakPolarHBondContact O-CD1 3.31Å; K381-I385 VanDerWaalsContact O-CG1 3.23Å; K381-I385 WeakPolarHBondContact O-CG1 3.49Å; K381-I385 PolarHBondContact O-N 2.7Å; K381-D489 VanDerWaalsContact CE-OD1 3.31Å; K381-D489 WeakPolarHBondContact CE-OD1 3.43Å; K381-D489 VanDerWaalsContact CE-OD2 3.3Å; K381-D489 WeakPolarHBondContact CE-OD2 3.27Å; K381-D489 IonicContact NZ-OD1 2.74Å; K381-D489 PolarHBondContact NZ-OD1 3.47Å; K381-D489 IonicContact NZ-OD2 3.46Å; K381-D489 PolarHBondContact NZ-OD2 2.03Å; K381-V490 HydrophobicContact CB-CG2 4.08Å; K381-V490 HydrophobicContact CD-CG2 3.78Å; K381-V490 HydrophobicContact CG-CG2 3.89Å
382	M	97.8	Very high	95.5	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-41.6	176.7	-59.7	-178.3	94.2	0	0	111	L365 L379 L386 V394 F449 M451 V490	L365-M382 HydrophobicContact CD1-CE 4.14Å; L365-M382 HydrophobicContact CD1-SD 3.81Å; L379-M382 HydrophobicContact CD2-SD 4.38Å; L379-M382 PolarHBondContact O-N 2.53Å; L379-M382 VanDerWaalsContact O-N 3.1Å; M382-L386 WeakPolarHBondContact O-CG 3.42Å; M382-L386 PolarHBondContact O-N 3.38Å; M382-L386 VanDerWaalsContact O-N 3.14Å; M382-V394 HydrophobicContact CB-CG1 3.88Å; M382-V394 HydrophobicContact CE-CG1 4.13Å; M382-V394 WeakPolarHBondContact CE-O 3.35Å; M382-V394 HydrophobicContact CG-CG1 4.31Å; M382-F449 HydrophobicContact SD-CZ 4.25Å; M382-M451 HydrophobicContact CB-CB 3.97Å; M382-M451 HydrophobicContact CB-CE 3.71Å; M382-M451 HydrophobicContact CB-CG 4.45Å; M382-M451 HydrophobicContact CB-SD 3.66Å; M382-M451 HydrophobicContact CE-CB 3.77Å; M382-M451 HydrophobicContact SD-CB 4Å; M382-M451 HydrophobicContact SD-CE 4.24Å; M382-V490 HydrophobicContact CG-CB 4.43Å; M382-V490 HydrophobicContact CG-CG1 3.92Å; M382-V490 HydrophobicContact CG-CG2 4.21Å; M382-V490 HydrophobicContact SD-CG1 3.91Å
383	V	96	Very high	95.5	Very high	6 Å²	6	31.7 Å²	31.7	4%	0.036	16%	0.164	C	C	.	.	H	α-helix	trans	-61.1	-50	173.2	172.3	0	0	0	0	110.6	I287 L290 V291 Y363 L379 E380 K381 I385 L386 E387 M451	I287-V383 HydrophobicContact CD1-CB 4.43Å; I287-V383 HydrophobicContact CD1-CG2 3.93Å; L290-V383 HydrophobicContact CD1-CG1 4.03Å; V291-V383 HydrophobicContact CG2-CG2 3.61Å; Y363-V383 HydrophobicContact CD2-CG2 4.31Å; Y363-V383 HydrophobicContact CE2-CG1 4.29Å; L379-V383 WeakPolarHBondContact O-CG2 3.38Å; L379-V383 PolarHBondContact O-N 2.9Å; E380-V383 PolarHBondContact O-N 3.41Å; K381-V383 VanDerWaalsContact C-N 3.33Å; V383-I385 VanDerWaalsContact C-N 3.26Å; V383-I385 PolarHBondContact O-N 3.24Å; V383-L386 CarbonylContact O-C 3.6Å; V383-L386 PolarHBondContact O-N 2.94Å; V383-E387 HydrophobicContact CG1-CG 3.88Å; V383-E387 WeakPolarHBondContact O-CB 3.47Å; V383-E387 VanDerWaalsContact O-CG 3.27Å; V383-E387 WeakPolarHBondContact O-CG 3.46Å; V383-E387 PolarHBondContact O-N 2.79Å; V383-M451 HydrophobicContact CG2-CE 4.06Å; V383-M451 HydrophobicContact CG2-SD 3.6Å
384	D	93.8	Very high	95.5	Very high	57 Å²	57	31.6 Å²	31.6	31%	0.305	16%	0.163	S	C	.	.	H	α-helix	trans	-56.2	-41.2	-178.5	-167.8	48.9	0	0	0	112.3	E380 K381 E387 K388	E380-D384 WeakPolarHBondContact O-CB 3.46Å; E380-D384 PolarHBondContact O-N 2.79Å; K381-D384 PolarHBondContact O-N 2.81Å; D384-E387 PolarHBondContact O-N 2.73Å; D384-K388 WeakPolarHBondContact O-CB 3.37Å; D384-K388 WeakPolarHBondContact O-CG 3.25Å; D384-K388 PolarHBondContact O-N 3.31Å; D384-K388 WeakPolarHBondContact OD1-CD 3.2Å; D384-K388 WeakPolarHBondContact OD1-CE 3.41Å; D384-K388 IonicContact OD1-NZ 3.5Å; D384-K388 PolarHBondContact OD1-NZ 3.21Å; D384-K388 IonicContact OD2-NZ 3.18Å; D384-K388 PolarHBondContact OD2-NZ 2.74Å
385	I	94.6	Very high	95.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.9	-50.2	174.6	-66.1	155.7	0	0	0	110.8	K381 V383 E387 K388 T389 L391 V394 F437 C487	K381-I385 HydrophobicContact CG-CD1 4.06Å; K381-I385 VanDerWaalsContact O-CD1 3.24Å; K381-I385 WeakPolarHBondContact O-CD1 3.31Å; K381-I385 VanDerWaalsContact O-CG1 3.23Å; K381-I385 WeakPolarHBondContact O-CG1 3.49Å; K381-I385 PolarHBondContact O-N 2.7Å; V383-I385 VanDerWaalsContact C-N 3.26Å; V383-I385 PolarHBondContact O-N 3.24Å; I385-E387 VanDerWaalsContact C-N 3.26Å; I385-E387 PolarHBondContact O-N 3.43Å; I385-K388 PolarHBondContact O-N 3.45Å; I385-T389 HydrophobicContact CG2-CG2 4.31Å; I385-T389 VanDerWaalsContact O-CB 3.31Å; I385-T389 WeakPolarHBondContact O-CB 3.49Å; I385-T389 WeakPolarHBondContact O-CG2 3.31Å; I385-T389 PolarHBondContact O-N 3.22Å; I385-T389 PolarHBondContact O-OG1 3.1Å; I385-L391 HydrophobicContact CG2-CD1 3.85Å; I385-V394 HydrophobicContact CD1-CG2 4.29Å; I385-V394 HydrophobicContact CG2-CB 4.43Å; I385-V394 HydrophobicContact CG2-CG2 4.25Å; I385-F437 HydrophobicContact CB-CE1 4.3Å; I385-F437 HydrophobicContact CB-CZ 4.39Å; I385-F437 HydrophobicContact CD1-CD1 4.33Å; I385-F437 HydrophobicContact CG1-CD1 3.48Å; I385-F437 VanDerWaalsContact CG1-CD1 3.48Å; I385-F437 HydrophobicContact CG1-CE1 3.38Å; I385-F437 HydrophobicContact CG1-CG 4.12Å; I385-F437 HydrophobicContact CG1-CZ 3.93Å; I385-C487 WeakPolarHBondContact CD1-SG 3.16Å
386	L	94.5	Very high	95.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68.9	-22.2	-178.4	-67.4	173.8	0	0	0	113.6	Y363 M382 V383 L391 V394 M451 R453	Y363-L386 HydrophobicContact CD1-CB 4.42Å; Y363-L386 HydrophobicContact CD1-CD1 3.51Å; Y363-L386 HydrophobicContact CE1-CB 3.6Å; Y363-L386 HydrophobicContact CE1-CD1 3.55Å; Y363-L386 HydrophobicContact CE1-CG 4.17Å; Y363-L386 HydrophobicContact CG-CD1 4.33Å; M382-L386 WeakPolarHBondContact O-CG 3.42Å; M382-L386 PolarHBondContact O-N 3.38Å; M382-L386 VanDerWaalsContact O-N 3.14Å; V383-L386 CarbonylContact O-C 3.6Å; V383-L386 PolarHBondContact O-N 2.94Å; L386-L391 HydrophobicContact CD2-CB 3.97Å; L386-L391 WeakPolarHBondContact CD2-O 3.42Å; L386-V394 HydrophobicContact CD1-CG1 4.11Å; L386-V394 HydrophobicContact CD2-CB 4.38Å; L386-V394 HydrophobicContact CD2-CG1 4.16Å; L386-V394 HydrophobicContact CG-CG1 3.91Å; L386-M451 HydrophobicContact CD1-CB 4.22Å; L386-M451 HydrophobicContact CD1-CG 3.76Å; L386-M451 HydrophobicContact CD1-SD 3.98Å; L386-R453 PolarHBondContact O-NH2 2.73Å
387	E	91.4	Very high	95.6	Very high	38 Å²	38	24 Å²	24	18%	0.178	11%	0.114	C	C	.	.	H	α-helix	trans	-84.5	-35.6	176.2	-68.9	-65.7	172.1	0	0	112.3	Q140 K362 Y363 V383 D384 I385	Q140-E387 PolarHBondContact NE2-OE2 2.99Å; Q140-E387 PolarHBondContact OE1-OE2 2.92Å; K362-E387 VanDerWaalsContact CE-OE1 3.25Å; K362-E387 WeakPolarHBondContact CE-OE1 3.23Å; K362-E387 VanDerWaalsContact NZ-CD 3.28Å; K362-E387 IonicContact NZ-OE1 2.64Å; K362-E387 PolarHBondContact NZ-OE1 2.91Å; K362-E387 IonicContact NZ-OE2 3.72Å; K362-E387 PolarHBondContact NZ-OE2 2.86Å; K362-E387 VanDerWaalsContact NZ-OE2 3.07Å; Y363-E387 VanDerWaalsContact CE2-OE1 3.31Å; Y363-E387 WeakPolarHBondContact CE2-OE1 3.34Å; Y363-E387 PolarHBondContact OH-OE1 2.88Å; V383-E387 HydrophobicContact CG1-CG 3.88Å; V383-E387 WeakPolarHBondContact O-CB 3.47Å; V383-E387 VanDerWaalsContact O-CG 3.27Å; V383-E387 WeakPolarHBondContact O-CG 3.46Å; V383-E387 PolarHBondContact O-N 2.79Å; D384-E387 PolarHBondContact O-N 2.73Å; I385-E387 VanDerWaalsContact C-N 3.26Å; I385-E387 PolarHBondContact O-N 3.43Å
388	K	90.6	Very high	95.5	Very high	102 Å²	102	24.2 Å²	24.2	44%	0.443	12%	0.115	S	C	.	.	H	α-helix	trans	-93.7	-17	-176.3	-70.4	175.1	177.8	158.9	0	114.5	Q48 D384 I385 F437	Q48-K388 VanDerWaalsContact CG-O 3.3Å; Q48-K388 WeakPolarHBondContact CG-O 3.49Å; Q48-K388 PolarHBondContact NE2-O 2.97Å; D384-K388 WeakPolarHBondContact O-CB 3.37Å; D384-K388 WeakPolarHBondContact O-CG 3.25Å; D384-K388 PolarHBondContact O-N 3.31Å; D384-K388 WeakPolarHBondContact OD1-CD 3.2Å; D384-K388 WeakPolarHBondContact OD1-CE 3.41Å; D384-K388 IonicContact OD1-NZ 3.5Å; D384-K388 PolarHBondContact OD1-NZ 3.21Å; D384-K388 IonicContact OD2-NZ 3.18Å; D384-K388 PolarHBondContact OD2-NZ 2.74Å; I385-K388 PolarHBondContact O-N 3.45Å; K388-F437 HydrophobicContact CB-CE2 4.2Å; K388-F437 HydrophobicContact CB-CZ 4.1Å; K388-F437 HydrophobicContact CD-CZ 4.08Å
389	T	91.2	Very high	95.5	Very high	9 Å²	9	23.4 Å²	23.4	6%	0.055	11%	0.11	C	C	.	.	S	Bend	trans	-112.1	177.7	-178.9	71	0	0	0	0	112.5	I47 I385 L391 I434 F437	I47-T389 HydrophobicContact CD1-CG2 4.05Å; I47-T389 HydrophobicContact CG1-CG2 4.12Å; I385-T389 HydrophobicContact CG2-CG2 4.31Å; I385-T389 VanDerWaalsContact O-CB 3.31Å; I385-T389 WeakPolarHBondContact O-CB 3.49Å; I385-T389 WeakPolarHBondContact O-CG2 3.31Å; I385-T389 PolarHBondContact O-N 3.22Å; I385-T389 PolarHBondContact O-OG1 3.1Å; T389-L391 VanDerWaalsContact C-N 3.29Å; T389-L391 WeakPolarHBondContact OG1-CB 3.47Å; T389-L391 WeakPolarHBondContact OG1-CG 3.4Å; T389-L391 PolarHBondContact OG1-N 3.14Å; T389-I434 HydrophobicContact CG2-CG2 4.18Å; T389-F437 HydrophobicContact CG2-CD2 4.01Å; T389-F437 HydrophobicContact CG2-CE2 3.69Å
390	T	91.4	Very high	95.2	Very high	31 Å²	31	25.9 Å²	25.9	19%	0.19	12%	0.121	C	C	.	.	S	Bend	trans	-87.4	5.9	170.7	51.2	0	0	0	0	113.2	I47 Q49 H483	I47-T390 WeakPolarHBondContact O-CB 3.49Å; I47-T390 WeakPolarHBondContact O-CG2 3.16Å; I47-T390 PolarHBondContact O-OG1 2.84Å; Q49-T390 HydrophobicContact CB-CG2 4.35Å; T390-H483 PolarHBondContact OG1-CE1 3.27Å; T390-H483 PolarHBondContact OG1-ND1 2.9Å
391	L	95.1	Very high	94.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.			trans	-65.5	140.4	178.9	-62.8	-176.4	0	0	0	111.5	I47 I385 L386 T389 I434 H483	I47-L391 HydrophobicContact CD1-CD1 4.32Å; I47-L391 HydrophobicContact CD1-CD2 3.82Å; I47-L391 HydrophobicContact CD1-CG 3.75Å; I385-L391 HydrophobicContact CG2-CD1 3.85Å; L386-L391 HydrophobicContact CD2-CB 3.97Å; L386-L391 WeakPolarHBondContact CD2-O 3.42Å; T389-L391 VanDerWaalsContact C-N 3.29Å; T389-L391 WeakPolarHBondContact OG1-CB 3.47Å; T389-L391 WeakPolarHBondContact OG1-CG 3.4Å; T389-L391 PolarHBondContact OG1-N 3.14Å; L391-I434 HydrophobicContact CD1-CD1 3.83Å; L391-H483 WeakPolarHBondContact CA-O 3.5Å; L391-H483 HydrophobicContact CD2-CB 4.35Å
392	D	96.8	Very high	94.3	Very high	16 Å²	16	28 Å²	28	9%	0.086	15%	0.145	C	C	.	.	S	Bend	trans	-96.5	-22.9	170.9	-66.3	-55.7	0	0	0	111.8	A452 R453 K456 M482 H483	D392-A452 CarbonylContact O-C 3.52Å; D392-A452 VanDerWaalsContact O-CA 3.28Å; D392-A452 WeakPolarHBondContact O-CA 3.49Å; D392-R453 PolarHBondContact O-N 2.83Å; D392-K456 HydrophobicContact CB-CB 4.3Å; D392-K456 HydrophobicContact CB-CG 4.02Å; D392-K456 WeakPolarHBondContact OD1-CE 3.28Å; D392-K456 IonicContact OD2-NZ 3.68Å; D392-M482 HydrophobicContact CB-CB 4.24Å; D392-M482 HydrophobicContact CB-CE 3.91Å; D392-M482 HydrophobicContact CB-CG 4.41Å; D392-M482 WeakPolarHBondContact OD2-CA 3.17Å; D392-H483 PolarHBondContact N-O 3.08Å; D392-H483 PolarHBondContact OD2-N 2.88Å
393	L	98.4	Very high	93.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	138.5	180	179.5	158.4	0	0	0	111	V446 F450 M451 A452 F474 F475 M482 H483 I484 G485	L393-V446 HydrophobicContact CD2-CG2 3.58Å; L393-F450 HydrophobicContact CD1-CD2 3.47Å; L393-F450 VanDerWaalsContact CD1-CD2 3.47Å; L393-F450 HydrophobicContact CD1-CE2 3.75Å; L393-F450 HydrophobicContact CD1-CG 3.98Å; L393-F450 HydrophobicContact CD1-CZ 4.46Å; L393-F450 HydrophobicContact CD2-CB 3.86Å; L393-F450 HydrophobicContact CD2-CD2 4.34Å; L393-F450 HydrophobicContact CD2-CG 4.16Å; L393-F450 HydrophobicContact CG-CB 4.13Å; L393-F450 HydrophobicContact CG-CD2 3.81Å; L393-F450 HydrophobicContact CG-CG 4.14Å; L393-M451 CarbonylContact C-O 3.55Å; L393-M451 WeakPolarHBondContact CA-O 3.43Å; L393-A452 HydrophobicContact CB-CB 3.76Å; L393-A452 HydrophobicContact CD1-CB 3.83Å; L393-A452 HydrophobicContact CG-CB 3.78Å; L393-F474 HydrophobicContact CD1-CE1 4.1Å; L393-F475 HydrophobicContact CD1-CE1 4.19Å; L393-F475 HydrophobicContact CD2-CE1 4.28Å; L393-M482 HydrophobicContact CB-CE 3.62Å; L393-M482 HydrophobicContact CD1-CE 3.96Å; L393-M482 HydrophobicContact CG-CE 4.47Å; L393-H483 PolarHBondContact N-O 3.3Å; L393-I484 HydrophobicContact CB-CG1 4.25Å; L393-I484 HydrophobicContact CD2-CG1 4.49Å; L393-I484 HydrophobicContact CD2-CG2 3.75Å; L393-I484 WeakPolarHBondContact O-CA 3.41Å; L393-G485 PolarHBondContact O-N 3.11Å
394	V	98.4	Very high	93.6	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.2	173.1	64.7	0	0	0	0	110.8	M382 I385 L386 F450 M451 G485 C487	M382-V394 HydrophobicContact CB-CG1 3.88Å; M382-V394 HydrophobicContact CE-CG1 4.13Å; M382-V394 WeakPolarHBondContact CE-O 3.35Å; M382-V394 HydrophobicContact CG-CG1 4.31Å; I385-V394 HydrophobicContact CD1-CG2 4.29Å; I385-V394 HydrophobicContact CG2-CB 4.43Å; I385-V394 HydrophobicContact CG2-CG2 4.25Å; L386-V394 HydrophobicContact CD1-CG1 4.11Å; L386-V394 HydrophobicContact CD2-CB 4.38Å; L386-V394 HydrophobicContact CD2-CG1 4.16Å; L386-V394 HydrophobicContact CG-CG1 3.91Å; V394-F450 CarbonylContact O-C 3.59Å; V394-F450 VanDerWaalsContact O-CA 3.27Å; V394-F450 WeakPolarHBondContact O-CA 3.49Å; V394-F450 WeakPolarHBondContact O-CB 3.39Å; V394-M451 HydrophobicContact CG1-CB 4.32Å; V394-M451 PolarHBondContact N-O 3.33Å; V394-M451 PolarHBondContact O-N 3.01Å; V394-G485 CarbonylContact C-O 3.58Å; V394-G485 VanDerWaalsContact CA-O 3.28Å; V394-G485 WeakPolarHBondContact CA-O 3.08Å; V394-C487 HydrophobicContact CG2-CB 4.47Å; V394-C487 VanDerWaalsContact CG2-SG 3.56Å
395	G	98.3	Very high	93.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	148.1	172.6	0	0	0	0	0	112.4	F449 G485 S486 C487	G395-F449 CarbonylContact C-O 2.94Å; G395-F449 WeakPolarHBondContact CA-O 3.14Å; G395-G485 PolarHBondContact N-O 3.2Å; G395-S486 CarbonylContact O-C 3.54Å; G395-S486 WeakPolarHBondContact O-CA 3.32Å; G395-C487 PolarHBondContact O-N 3.14Å
396	G	97.6	Very high	93.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-155.6	168.5	0	0	0	0	0	112.5	I447 F449 C487 V490	G396-I447 WeakPolarHBondContact O-CG2 3.33Å; G396-F449 PolarHBondContact N-O 3.04Å; G396-C487 CarbonylContact C-O 3.48Å; G396-C487 WeakPolarHBondContact CA-O 3.39Å; G396-V490 CarbonylContact C-O 3.55Å; G396-V490 VanDerWaalsContact CA-O 3.29Å; G396-V490 WeakPolarHBondContact CA-O 3.2Å
397	A	97.3	Very high	93.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	151.5	169.7	0	0	0	0	0	111.4	T405 A406 T407 V490 I491 V492	A397-T405 HydrophobicContact CB-CG2 3.54Å; A397-A406 CarbonylContact C-O 3.6Å; A397-A406 WeakPolarHBondContact CA-O 3.26Å; A397-T407 HydrophobicContact CB-CG2 3.7Å; A397-V490 PolarHBondContact N-O 3.43Å; A397-I491 HydrophobicContact CB-CG1 4.26Å; A397-I491 WeakPolarHBondContact O-CA 3.39Å; A397-V492 PolarHBondContact O-N 3.22Å
398	V	97	Very high	93.5	Very high	6 Å²	6	43 Å²	43	4%	0.036	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.3	176.6	-179.4	0	0	0	0	109	F371 T405 A406 I447 F449 V492 H494	F371-V398 HydrophobicContact CE1-CG1 4.13Å; F371-V398 HydrophobicContact CE1-CG2 4.3Å; F371-V398 HydrophobicContact CE2-CG2 4.48Å; F371-V398 HydrophobicContact CZ-CG2 3.96Å; V398-T405 CarbonylContact O-C 3.59Å; V398-T405 WeakPolarHBondContact O-CA 3.29Å; V398-A406 PolarHBondContact N-O 2.78Å; V398-A406 PolarHBondContact O-N 3.13Å; V398-I447 HydrophobicContact CB-CD1 3.67Å; V398-I447 HydrophobicContact CG2-CD1 3.49Å; V398-I447 VanDerWaalsContact CG2-CD1 3.49Å; V398-I447 HydrophobicContact CG2-CG1 3.83Å; V398-I447 HydrophobicContact CG2-CG2 4.06Å; V398-F449 HydrophobicContact CG2-CB 3.91Å; V398-V492 CarbonylContact C-O 3.44Å; V398-V492 VanDerWaalsContact CA-O 3.32Å; V398-V492 WeakPolarHBondContact CA-O 3.27Å; V398-V492 HydrophobicContact CB-CG1 4.4Å; V398-V492 HydrophobicContact CG1-CG1 4.47Å; V398-V492 HydrophobicContact CG2-CG1 3.81Å; V398-H494 HydrophobicContact CG1-CB 3.87Å
399	R	96.3	Very high	93.8	Very high	76 Å²	76	41.5 Å²	41.5	29%	0.287	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	116.5	178	-176.8	178.5	-64.9	154.4	-1.8	110.5	N376 Y404 T405 I491 V492 S493 H494	N376-R399 PolarHBondContact ND2-NH1 2.91Å; R399-Y404 CarbonylContact C-O 3.57Å; R399-Y404 WeakPolarHBondContact CA-O 3.33Å; R399-T405 PolarHBondContact NE-OG1 3.03Å; R399-I491 HydrophobicContact CB-CG2 3.73Å; R399-V492 PolarHBondContact N-O 3.26Å; R399-S493 CarbonylContact O-C 3.59Å; R399-S493 WeakPolarHBondContact O-CA 3.18Å; R399-H494 PolarHBondContact O-N 3.11Å
400	E	91.6	Very high	94	Very high	52 Å²	52	41.2 Å²	41.2	24%	0.243	22%	0.215	C	C	.	.			trans	-72.4	159.2	172.1	-67.9	-72.6	176.9	0	0	110.6	T402 G403 Y404 H494 K497	E400-T402 PolarHBondContact O-N 3.38Å; E400-T402 VanDerWaalsContact O-N 3.09Å; E400-G403 PolarHBondContact O-N 3.4Å; E400-Y404 PolarHBondContact N-O 3.44Å; E400-H494 IonicContact OE2-CG 3.52Å; E400-K497 IonicContact OE1-NZ 3.78Å; E400-K497 PolarHBondContact OE1-NZ 2.86Å; E400-K497 IonicContact OE2-NZ 4Å
401	V	86	Confident	94.3	Very high	91 Å²	91	41.1 Å²	41.1	55%	0.552	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.2	179.8	179.1	0	0	0	0	112.8	G403 H494	V401-G403 PolarHBondContact O-N 2.88Å; V401-H494 VanDerWaalsContact CG2-O 3.24Å; V401-H494 WeakPolarHBondContact CG2-O 3.48Å
402	T	85.9	Confident	94.4	Very high	101 Å²	101	41.6 Å²	41.6	62%	0.62	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-7.5	173.4	59.3	0	0	0	0	113.7	E400 Y404 I498	E400-T402 PolarHBondContact O-N 3.38Å; E400-T402 VanDerWaalsContact O-N 3.09Å; T402-Y404 VanDerWaalsContact C-N 3.32Å; T402-I498 HydrophobicContact CG2-CD1 3.92Å
403	G	88.6	Confident	94.4	Very high	47 Å²	47	43.7 Å²	43.7	49%	0.485	23%	0.233	S	C	.	.	S	Bend	trans	89.7	-12	-173.6	0	0	0	0	0	114	E400 V401 T405	E400-G403 PolarHBondContact O-N 3.4Å; V401-G403 PolarHBondContact O-N 2.88Å; G403-T405 PolarHBondContact O-N 2.93Å; G403-T405 PolarHBondContact O-OG1 2.94Å
404	Y	91.1	Very high	94.3	Very high	159 Å²	159	46.5 Å²	46.5	62%	0.624	25%	0.25	S	S	*	.			trans	-63.6	129.9	175.5	179.7	-105.2	0	0	0	110.9	R399 E400 T402 A406	R399-Y404 CarbonylContact C-O 3.57Å; R399-Y404 WeakPolarHBondContact CA-O 3.33Å; E400-Y404 PolarHBondContact N-O 3.44Å; T402-Y404 VanDerWaalsContact C-N 3.32Å; Y404-A406 HydrophobicContact CD1-CB 4.44Å; Y404-A406 HydrophobicContact CE1-CB 3.82Å
405	T	93.9	Very high	94.2	Very high	52 Å²	52	52 Å²	52	32%	0.319	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.1	-178.6	-58.7	0	0	0	0	109.8	A397 V398 R399 G403 I491	A397-T405 HydrophobicContact CB-CG2 3.54Å; V398-T405 CarbonylContact O-C 3.59Å; V398-T405 WeakPolarHBondContact O-CA 3.29Å; R399-T405 PolarHBondContact NE-OG1 3.03Å; G403-T405 PolarHBondContact O-N 2.93Å; G403-T405 PolarHBondContact O-OG1 2.94Å; T405-I491 HydrophobicContact CG2-CD1 4.36Å; T405-I491 HydrophobicContact CG2-CG2 4.29Å
406	A	93.7	Very high	94	Very high	22 Å²	22	61 Å²	61	18%	0.182	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.2	-176	0	0	0	0	0	111.5	A397 V398 Y404 I447	A397-A406 CarbonylContact C-O 3.6Å; A397-A406 WeakPolarHBondContact CA-O 3.26Å; V398-A406 PolarHBondContact N-O 2.78Å; V398-A406 PolarHBondContact O-N 3.13Å; Y404-A406 HydrophobicContact CD1-CB 4.44Å; Y404-A406 HydrophobicContact CE1-CB 3.82Å; A406-I447 HydrophobicContact CB-CD1 4.15Å; A406-I447 WeakPolarHBondContact O-CD1 3.3Å
407	T	92.1	Very high	93.7	Very high	30 Å²	30	62.4 Å²	62.4	18%	0.184	33%	0.332	C	S	.	.			trans	-101.4	-17	171.2	50.7	0	0	0	0	113.2	A397 R409 I447	A397-T407 HydrophobicContact CB-CG2 3.7Å; T407-R409 VanDerWaalsContact C-N 3.3Å; T407-R409 PolarHBondContact O-N 3.24Å; T407-I447 VanDerWaalsContact O-CB 3.3Å; T407-I447 WeakPolarHBondContact O-CB 3.34Å; T407-I447 PolarHBondContact O-N 3.24Å; T407-I447 VanDerWaalsContact O-N 3.1Å
408	Y	92.6	Very high	93.5	Very high	107 Å²	107	64.6 Å²	64.6	42%	0.42	35%	0.354	S	S	.	.			trans	41.3	53.4	-179.1	-163.7	-98	0	0	0	113.3	H410 V446 I447 H471 L472	Y408-H410 AromaticContact CD1-CE1 3.58Å; Y408-H410 AromaticContact CD1-ND1 4Å; Y408-H410 AromaticContact CE1-CE1 3.27Å; Y408-H410 WeakPolarHBondContact CE1-CE1 3.13Å; Y408-H410 AromaticContact CE1-ND1 3.93Å; Y408-H410 AromaticContact CE2-CE1 3.8Å; Y408-H410 AromaticContact CG-CE1 3.97Å; Y408-H410 AromaticContact CZ-CE1 3.4Å; Y408-H410 VanDerWaalsContact CZ-CE1 3.4Å; Y408-H410 AromaticContact CZ-NE2 3.95Å; Y408-H410 PolarHBondContact O-ND1 3.03Å; Y408-V446 CarbonylContact O-C 3.59Å; Y408-I447 PolarHBondContact O-N 3.49Å; Y408-H471 AromaticContact CD1-CE1 3.28Å; Y408-H471 WeakPolarHBondContact CD1-CE1 3.36Å; Y408-H471 AromaticContact CD1-ND1 3.52Å; Y408-H471 AromaticContact CE1-CE1 3.49Å; Y408-H471 VanDerWaalsContact CE1-CE1 3.49Å; Y408-H471 WeakPolarHBondContact CE1-CE1 3.3Å; Y408-H471 AromaticContact CE1-ND1 3.2Å; Y408-H471 WeakPolarHBondContact CE1-ND1 3.24Å; Y408-L472 HydrophobicContact CE1-CD2 4.17Å
409	R	95.6	Very high	93.3	Very high	71 Å²	71	71.7 Å²	71.7	27%	0.268	39%	0.392	S	S	.	.			trans	-93.3	139.9	-177.3	58.5	-179	-174.4	-174.5	0.7	112.3	T407 G429 H430 A443 A445	T407-R409 VanDerWaalsContact C-N 3.3Å; T407-R409 PolarHBondContact O-N 3.24Å; R409-G429 CarbonylContact C-O 3.59Å; R409-G429 VanDerWaalsContact CG-O 3.29Å; R409-G429 WeakPolarHBondContact CG-O 3.28Å; R409-G429 PolarHBondContact O-N 3.34Å; R409-H430 VanDerWaalsContact CZ-ND1 3.28Å; R409-H430 PolarHBondContact NH2-CE1 3.09Å; R409-H430 PolarHBondContact NH2-ND1 3.32Å; R409-A443 HydrophobicContact CB-CB 4.22Å; R409-A445 CarbonylContact C-O 3.5Å; R409-A445 VanDerWaalsContact CA-O 3.26Å; R409-A445 WeakPolarHBondContact CA-O 3.48Å
410	H	97	Very high	93.2	Very high	3 Å²	3	74.6 Å²	74.6	1%	0.014	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.5	177.7	-59.7	63.3	0	0	0	111.9	Y408 I412 R427 D444 A445	Y408-H410 AromaticContact CD1-CE1 3.58Å; Y408-H410 AromaticContact CD1-ND1 4Å; Y408-H410 AromaticContact CE1-CE1 3.27Å; Y408-H410 WeakPolarHBondContact CE1-CE1 3.13Å; Y408-H410 AromaticContact CE1-ND1 3.93Å; Y408-H410 AromaticContact CE2-CE1 3.8Å; Y408-H410 AromaticContact CG-CE1 3.97Å; Y408-H410 AromaticContact CZ-CE1 3.4Å; Y408-H410 VanDerWaalsContact CZ-CE1 3.4Å; Y408-H410 AromaticContact CZ-NE2 3.95Å; Y408-H410 PolarHBondContact O-ND1 3.03Å; H410-I412 HydrophobicContact CB-CG1 4.43Å; H410-R427 CarbonylContact C-O 3.58Å; H410-R427 WeakPolarHBondContact CA-O 3.25Å; H410-R427 WeakPolarHBondContact CB-O 3.33Å; H410-D444 PolarHBondContact O-N 3.04Å; H410-A445 HydrophobicContact CB-CB 4.08Å; H410-A445 PolarHBondContact N-O 2.77Å; H410-A445 PolarHBondContact O-N 3.05Å
411	T	97.5	Very high	93.4	Very high	30 Å²	30	72.1 Å²	72.1	18%	0.184	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	136.7	157.5	58.1	0	0	0	0	108.9	R427 D444	T411-R427 PolarHBondContact N-O 3.39Å; T411-R427 PolarHBondContact O-N 2.92Å; T411-D444 VanDerWaalsContact CA-OD2 3.24Å; T411-D444 WeakPolarHBondContact CA-OD2 3.21Å
412	I	97.3	Very high	93.9	Very high	10 Å²	10	69.3 Å²	69.3	5%	0.051	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.8	-178.7	-54	178.3	0	0	0	108.4	H410 L424 N425 M426 D444 A445 F475 V476 L479	H410-I412 HydrophobicContact CB-CG1 4.43Å; I412-L424 HydrophobicContact CG2-CD1 3.48Å; I412-L424 VanDerWaalsContact CG2-CD1 3.48Å; I412-N425 CarbonylContact C-O 3.47Å; I412-N425 VanDerWaalsContact CA-O 3.3Å; I412-N425 WeakPolarHBondContact CA-O 3.39Å; I412-M426 HydrophobicContact CD1-CG 4.48Å; I412-M426 HydrophobicContact CG1-CG 4.07Å; I412-M426 HydrophobicContact CG2-CG 4.07Å; I412-D444 HydrophobicContact CB-CB 3.82Å; I412-D444 HydrophobicContact CD1-CB 4.17Å; I412-D444 HydrophobicContact CG1-CB 3.82Å; I412-D444 PolarHBondContact N-OD2 3.25Å; I412-A445 HydrophobicContact CD1-CB 4.09Å; I412-F475 HydrophobicContact CD1-CB 4.15Å; I412-V476 HydrophobicContact CD1-CG2 4.27Å; I412-L479 HydrophobicContact CB-CD2 4.27Å; I412-L479 HydrophobicContact CG2-CD1 3.79Å; I412-L479 HydrophobicContact CG2-CD2 4.44Å
413	S	96	Very high	94.5	Very high	60 Å²	60	65.3 Å²	65.3	42%	0.42	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	150.4	173.7	70.5	0	0	0	0	110.9	N425	S413-N425 PolarHBondContact N-O 2.8Å; S413-N425 PolarHBondContact O-N 3.06Å
414	V	96.5	Very high	94.9	Very high	59 Å²	59	63.1 Å²	63.1	36%	0.358	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.4	174.9	177	0	0	0	0	108.1	D422 C423 L424 L479 F535	V414-D422 HydrophobicContact CG1-CB 3.73Å; V414-C423 WeakPolarHBondContact CA-O 3.35Å; V414-L424 HydrophobicContact CG2-CD1 3.95Å; V414-L479 HydrophobicContact CG2-CD1 3.94Å; V414-F535 HydrophobicContact CB-CE1 4.49Å; V414-F535 HydrophobicContact CG1-CE1 3.73Å; V414-F535 HydrophobicContact CG2-CE1 3.88Å; V414-F535 HydrophobicContact CG2-CZ 3.91Å
415	E	95.9	Very high	95.1	Very high	117 Å²	117	56.6 Å²	56.6	55%	0.547	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.6	173	-69.1	174	-161.6	0	0	109.3	G417 D422 C423 N425	E415-G417 PolarHBondContact O-N 3.23Å; E415-D422 WeakPolarHBondContact O-CA 3.44Å; E415-D422 WeakPolarHBondContact O-CB 3.37Å; E415-C423 HydrophobicContact CB-CB 4.32Å; E415-C423 PolarHBondContact N-O 2.56Å; E415-C423 PolarHBondContact O-N 3.35Å; E415-N425 PolarHBondContact OE1-ND2 3.06Å
416	E	94.1	Very high	95.2	Very high	188 Å²	188	54.1 Å²	54.1	88%	0.879	29%	0.293	S	S	*	.			trans	-60.6	128.2	177.4	-67.7	-175.9	-179.2	0	0	110.7
417	G	92.4	Very high	95.4	Very high	30 Å²	30	57.5 Å²	57.5	31%	0.309	30%	0.301	S	S	.	.			trans	-109.1	-178.8	174.6	0	0	0	0	0	113	E415 G421 D422	E415-G417 PolarHBondContact O-N 3.23Å; G417-G421 WeakPolarHBondContact CA-O 3.4Å; G417-D422 PolarHBondContact N-OD1 2.66Å
418	G	92.6	Very high	95.5	Very high	45 Å²	45	60.9 Å²	60.9	46%	0.464	32%	0.317	S	S	.	.	S	Bend	trans	-78.4	-153.1	172	0	0	0	0	0	112.9	E420 G421 R534	G418-E420 PolarHBondContact O-N 3.43Å; G418-E420 VanDerWaalsContact O-N 3.09Å; G418-G421 PolarHBondContact O-N 2.82Å; G418-G421 VanDerWaalsContact O-N 3.15Å; G418-R534 PolarHBondContact O-NH2 3.02Å
419	N	93.1	Very high	95.6	Very high	155 Å²	155	56.6 Å²	56.6	83%	0.829	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-30	-175.5	-63.9	-13.8	0	0	0	114.1	G421 R534	N419-G421 VanDerWaalsContact C-N 3.32Å; N419-G421 PolarHBondContact O-N 3.46Å; N419-R534 PolarHBondContact O-NH2 2.86Å
420	E	93.5	Very high	95.7	Very high	137 Å²	137	56 Å²	56	64%	0.64	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.1	-178.2	-58.5	-55.6	124.2	0	0	114.8	G418 K536	G418-E420 PolarHBondContact O-N 3.43Å; G418-E420 VanDerWaalsContact O-N 3.09Å; E420-K536 HydrophobicContact CB-CD 3.93Å
421	G	95.7	Very high	95.6	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.327	C	S	.	.			trans	119.7	173.3	-177	0	0	0	0	0	114.7	G417 G418 N419 R534 K536	G417-G421 WeakPolarHBondContact CA-O 3.4Å; G418-G421 PolarHBondContact O-N 2.82Å; G418-G421 VanDerWaalsContact O-N 3.15Å; N419-G421 VanDerWaalsContact C-N 3.32Å; N419-G421 PolarHBondContact O-N 3.46Å; G421-R534 CarbonylContact C-O 3.47Å; G421-R534 WeakPolarHBondContact CA-O 3.31Å; G421-K536 WeakPolarHBondContact O-CD 3.25Å; G421-K536 WeakPolarHBondContact O-CE 3.4Å; G421-K536 WeakPolarHBondContact O-CG 3.31Å
422	D	97.5	Very high	95.5	Very high	33 Å²	33	61 Å²	61	18%	0.176	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	173	-173.3	-53.5	-38.4	0	0	0	111.3	V414 E415 G417 R534 F535 K536	V414-D422 HydrophobicContact CG1-CB 3.73Å; E415-D422 WeakPolarHBondContact O-CA 3.44Å; E415-D422 WeakPolarHBondContact O-CB 3.37Å; G417-D422 PolarHBondContact N-OD1 2.66Å; D422-R534 PolarHBondContact N-O 3Å; D422-R534 IonicContact OD1-NH1 3.13Å; D422-R534 PolarHBondContact OD1-NH1 3.41Å; D422-R534 IonicContact OD2-NH1 2.83Å; D422-F535 HydrophobicContact CB-CD1 3.94Å; D422-F535 HydrophobicContact CB-CE1 4.24Å; D422-F535 CarbonylContact O-C 3.55Å; D422-F535 VanDerWaalsContact O-CA 3.24Å; D422-F535 WeakPolarHBondContact O-CA 3.31Å; D422-K536 PolarHBondContact O-N 2.96Å
423	C	97.2	Very high	95.4	Very high	17 Å²	17	60.9 Å²	60.9	12%	0.115	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.2	-178	-83.9	0	0	0	0	112	V414 E415 C537	V414-C423 WeakPolarHBondContact CA-O 3.35Å; E415-C423 HydrophobicContact CB-CB 4.32Å; E415-C423 PolarHBondContact N-O 2.56Å; E415-C423 PolarHBondContact O-N 3.35Å; C423-C537 WeakPolarHBondContact CA-O 2.99Å; C423-C537 HydrophobicContact CB-CB 4.38Å; C423-C537 WeakPolarHBondContact CB-SG 3.49Å; C423-C537 WeakPolarHBondContact SG-CB 3.4Å; C423-C537 CovalentContact SG-SG 2.03Å; C423-C537 PolarHBondContact SG-SG 3.07Å
424	L	97.3	Very high	95.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.2	-176.3	179.6	66.8	0	0	0	111.3	I412 V414 M426 V476 F529 F535 C537 M538 T539	I412-L424 HydrophobicContact CG2-CD1 3.48Å; I412-L424 VanDerWaalsContact CG2-CD1 3.48Å; V414-L424 HydrophobicContact CG2-CD1 3.95Å; L424-M426 HydrophobicContact CD1-CG 4.43Å; L424-M426 HydrophobicContact CD2-CE 4.06Å; L424-M426 HydrophobicContact CD2-CG 4.33Å; L424-M426 HydrophobicContact CD2-SD 4.04Å; L424-M426 HydrophobicContact CG-CG 4.16Å; L424-V476 HydrophobicContact CD1-CG2 4.26Å; L424-V476 HydrophobicContact CD2-CG2 4Å; L424-F529 HydrophobicContact CD2-CE1 4.41Å; L424-F529 HydrophobicContact CD2-CE2 4.31Å; L424-F529 HydrophobicContact CD2-CZ 4.23Å; L424-F535 HydrophobicContact CB-CD1 4.43Å; L424-F535 HydrophobicContact CB-CD2 4.09Å; L424-F535 HydrophobicContact CB-CE2 4.21Å; L424-F535 HydrophobicContact CB-CG 4.22Å; L424-F535 HydrophobicContact CB-CZ 4.47Å; L424-F535 HydrophobicContact CD1-CE2 4.26Å; L424-F535 HydrophobicContact CD1-CZ 4.26Å; L424-F535 HydrophobicContact CD2-CD2 4.18Å; L424-F535 HydrophobicContact CD2-CE2 4.01Å; L424-F535 HydrophobicContact CG-CE2 4.4Å; L424-C537 PolarHBondContact N-O 3.1Å; L424-M538 HydrophobicContact CB-CB 4.44Å; L424-M538 HydrophobicContact CB-CG 4.28Å; L424-M538 HydrophobicContact CD2-CG 4.16Å; L424-M538 HydrophobicContact CD2-SD 4.17Å; L424-M538 HydrophobicContact CG-CG 4.37Å; L424-M538 CarbonylContact O-C 3.59Å; L424-M538 WeakPolarHBondContact O-CA 3.31Å; L424-T539 PolarHBondContact O-N 2.96Å
425	N	96.6	Very high	95.2	Very high	23 Å²	23	59.8 Å²	59.8	12%	0.123	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.7	174.2	-63.2	-42.1	0	0	0	110	I412 S413 E415 T539	I412-N425 CarbonylContact C-O 3.47Å; I412-N425 VanDerWaalsContact CA-O 3.3Å; I412-N425 WeakPolarHBondContact CA-O 3.39Å; S413-N425 PolarHBondContact N-O 2.8Å; S413-N425 PolarHBondContact O-N 3.06Å; E415-N425 PolarHBondContact OE1-ND2 3.06Å; N425-T539 PolarHBondContact OD1-OG1 2.95Å
426	M	95.8	Very high	94.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.4	175.9	-61.9	179	-68.4	0	0	109.4	I412 L424 L472 V476 M538 T539 S540 Q541	I412-M426 HydrophobicContact CD1-CG 4.48Å; I412-M426 HydrophobicContact CG1-CG 4.07Å; I412-M426 HydrophobicContact CG2-CG 4.07Å; L424-M426 HydrophobicContact CD1-CG 4.43Å; L424-M426 HydrophobicContact CD2-CE 4.06Å; L424-M426 HydrophobicContact CD2-CG 4.33Å; L424-M426 HydrophobicContact CD2-SD 4.04Å; L424-M426 HydrophobicContact CG-CG 4.16Å; M426-L472 HydrophobicContact CE-CD1 4.42Å; M426-L472 HydrophobicContact SD-CB 4.11Å; M426-L472 HydrophobicContact SD-CD1 3.72Å; M426-V476 HydrophobicContact SD-CG2 4.42Å; M426-M538 HydrophobicContact CE-CG 3.87Å; M426-M538 HydrophobicContact CE-SD 3.32Å; M426-M538 WeakPolarHBondContact CE-SD 3.32Å; M426-T539 PolarHBondContact N-O 3.32Å; M426-S540 WeakPolarHBondContact O-CA 3.09Å; M426-Q541 PolarHBondContact O-N 3.38Å
427	R	96.1	Very high	94.9	Very high	93 Å²	93	49.6 Å²	49.6	35%	0.351	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140.5	178.8	-62.1	-65.8	179.9	-88.1	-5	110	H410 T411 G429 T539	H410-R427 CarbonylContact C-O 3.58Å; H410-R427 WeakPolarHBondContact CA-O 3.25Å; H410-R427 WeakPolarHBondContact CB-O 3.33Å; T411-R427 PolarHBondContact N-O 3.39Å; T411-R427 PolarHBondContact O-N 2.92Å; R427-G429 PolarHBondContact O-N 3.19Å; R427-T539 VanDerWaalsContact CZ-OG1 3.3Å; R427-T539 PolarHBondContact NH1-O 3.24Å; R427-T539 PolarHBondContact NH1-OG1 3.11Å; R427-T539 PolarHBondContact NH2-OG1 3.38Å
428	I	95.8	Very high	94.8	Very high	100 Å²	100	53 Å²	53	51%	0.513	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	124.6	170.2	-62.4	172.4	0	0	0	107.6
429	G	95	Very high	94.9	Very high	18 Å²	18	54.5 Å²	54.5	19%	0.186	30%	0.295	C	S	.	.			trans	161.8	-169.2	-173	0	0	0	0	0	114.5	R409 R427	R409-G429 CarbonylContact C-O 3.59Å; R409-G429 VanDerWaalsContact CG-O 3.29Å; R409-G429 WeakPolarHBondContact CG-O 3.28Å; R409-G429 PolarHBondContact O-N 3.34Å; R427-G429 PolarHBondContact O-N 3.19Å
430	H	96.4	Very high	95.1	Very high	59 Å²	59	47.1 Å²	47.1	27%	0.273	26%	0.256	S	S	.	.			trans	-151	163.6	175.7	62.5	-70.6	0	0	0	109.1	R409 V441 V442	R409-H430 VanDerWaalsContact CZ-ND1 3.28Å; R409-H430 PolarHBondContact NH2-CE1 3.09Å; R409-H430 PolarHBondContact NH2-ND1 3.32Å; H430-V441 HydrophobicContact CB-CB 3.88Å; H430-V441 HydrophobicContact CB-CG2 3.54Å; H430-V441 VanDerWaalsContact CD2-CG1 3.42Å; H430-V441 WeakPolarHBondContact CD2-CG1 3.44Å; H430-V442 WeakPolarHBondContact CB-O 3.5Å
431	H	95.6	Very high	95.3	Very high	96 Å²	96	41.2 Å²	41.2	44%	0.444	23%	0.229	S	C	.	.	S	Bend	trans	-85	-59.9	-179	-66	-68.4	0	0	0	111.9	V442 D444	H431-V442 HydrophobicContact CB-CB 4.43Å; H431-V442 PolarHBondContact N-O 3.45Å; H431-D444 IonicContact CD2-OD2 2.79Å; H431-D444 IonicContact CE1-OD2 3.06Å; H431-D444 IonicContact NE2-OD1 2.67Å; H431-D444 IonicContact NE2-OD2 3.07Å; H431-D444 PolarHBondContact NE2-OD2 2.85Å
432	H	95.2	Very high	95.4	Very high	42 Å²	42	41.6 Å²	41.6	19%	0.194	23%	0.231	C	C	.	.			trans	-159.4	166	-175.5	61.1	70.1	0	0	0	111.6	L43 V45 V441 V442	L43-H432 WeakPolarHBondContact O-CB 3.46Å; V45-H432 VanDerWaalsContact CB-CE1 3.44Å; V45-H432 WeakPolarHBondContact CB-CE1 3.22Å; V45-H432 WeakPolarHBondContact CB-ND1 3.38Å; V45-H432 HydrophobicContact CG2-CB 4Å; V45-H432 WeakPolarHBondContact CG2-ND1 3.3Å; H432-V441 CarbonylContact O-C 3.57Å; H432-V441 VanDerWaalsContact O-CA 3.24Å; H432-V441 WeakPolarHBondContact O-CA 3.24Å; H432-V441 WeakPolarHBondContact O-CB 3.42Å; H432-V442 WeakPolarHBondContact CE1-CG2 3.47Å; H432-V442 PolarHBondContact O-N 2.77Å
433	A	95.5	Very high	95.4	Very high	6 Å²	6	40 Å²	40	5%	0.05	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	158	175.4	0	0	0	0	0	111.2	L43 E44 V45	L43-A433 PolarHBondContact O-N 2.96Å; E44-A433 HydrophobicContact CG-CB 3.98Å; V45-A433 PolarHBondContact N-O 2.64Å
434	I	94.7	Very high	95.5	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	117.8	179.7	-61.9	176.1	0	0	0	109	I47 T389 L391 G436 F437 C440 V442	I47-I434 HydrophobicContact CD1-CD1 3.88Å; I47-I434 HydrophobicContact CD1-CG1 4Å; I47-I434 HydrophobicContact CD1-CG2 3.9Å; I47-I434 HydrophobicContact CG1-CG2 3.97Å; T389-I434 HydrophobicContact CG2-CG2 4.18Å; L391-I434 HydrophobicContact CD1-CD1 3.83Å; I434-G436 PolarHBondContact O-N 2.84Å; I434-F437 HydrophobicContact CB-CB 4.3Å; I434-F437 HydrophobicContact CG2-CB 4.09Å; I434-F437 HydrophobicContact CG2-CD2 3.88Å; I434-F437 HydrophobicContact CG2-CG 4.46Å; I434-F437 CarbonylContact O-C 3.54Å; I434-F437 PolarHBondContact O-N 3.35Å; I434-C440 HydrophobicContact CB-CB 4.39Å; I434-C440 HydrophobicContact CD1-CB 4Å; I434-C440 PolarHBondContact N-O 3.28Å; I434-V442 HydrophobicContact CD1-CG2 4.16Å; I434-V442 HydrophobicContact CG1-CG2 3.94Å
435	E	92.3	Very high	95.5	Very high	95 Å²	95	40.7 Å²	40.7	44%	0.444	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	133.2	176.9	-170.5	-174.1	171.7	0	0	110.6	V45 N46 F437	V45-E435 PolarHBondContact O-N 3.35Å; V45-E435 VanDerWaalsContact O-N 3.09Å; N46-E435 HydrophobicContact CB-CB 4.45Å; N46-E435 WeakPolarHBondContact CB-OE2 3.41Å; N46-E435 PolarHBondContact ND2-OE2 2.96Å; E435-F437 VanDerWaalsContact C-N 3.25Å; E435-F437 PolarHBondContact O-N 2.7Å
436	G	91.4	Very high	95.5	Very high	64 Å²	64	39.6 Å²	39.6	66%	0.66	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.4	-6.7	-176.8	0	0	0	0	0	115.1	I434	I434-G436 PolarHBondContact O-N 2.84Å
437	F	93.9	Very high	95.5	Very high	27 Å²	27	40.7 Å²	40.7	12%	0.118	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	79	177.5	-65.4	-80	0	0	0	110.8	I385 K388 T389 I434 E435 N439 C440	I385-F437 HydrophobicContact CB-CE1 4.3Å; I385-F437 HydrophobicContact CB-CZ 4.39Å; I385-F437 HydrophobicContact CD1-CD1 4.33Å; I385-F437 HydrophobicContact CG1-CD1 3.48Å; I385-F437 VanDerWaalsContact CG1-CD1 3.48Å; I385-F437 HydrophobicContact CG1-CE1 3.38Å; I385-F437 HydrophobicContact CG1-CG 4.12Å; I385-F437 HydrophobicContact CG1-CZ 3.93Å; K388-F437 HydrophobicContact CB-CE2 4.2Å; K388-F437 HydrophobicContact CB-CZ 4.1Å; K388-F437 HydrophobicContact CD-CZ 4.08Å; T389-F437 HydrophobicContact CG2-CD2 4.01Å; T389-F437 HydrophobicContact CG2-CE2 3.69Å; I434-F437 HydrophobicContact CB-CB 4.3Å; I434-F437 HydrophobicContact CG2-CB 4.09Å; I434-F437 HydrophobicContact CG2-CD2 3.88Å; I434-F437 HydrophobicContact CG2-CG 4.46Å; I434-F437 CarbonylContact O-C 3.54Å; I434-F437 PolarHBondContact O-N 3.35Å; E435-F437 VanDerWaalsContact C-N 3.25Å; E435-F437 PolarHBondContact O-N 2.7Å; F437-N439 VanDerWaalsContact C-N 3.26Å; F437-N439 PolarHBondContact O-N 3.16Å; F437-N439 VanDerWaalsContact O-N 3.1Å; F437-C440 HydrophobicContact CB-CB 3.84Å; F437-C440 WeakPolarHBondContact O-CB 3.22Å; F437-C440 PolarHBondContact O-N 3.11Å
438	P	90.3	Very high	95.4	Very high	101 Å²	101	37.3 Å²	37.3	66%	0.656	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	-24.7	-164.8	24.3	-35.3	0	0	0	115	C440	P438-C440 VanDerWaalsContact C-N 3.32Å
439	N	95.1	Very high	95.5	Very high	76 Å²	76	32.6 Å²	32.6	41%	0.406	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	7.9	179.3	-64.9	-46.6	0	0	0	113.1	F437 C487 S488 D489	F437-N439 VanDerWaalsContact C-N 3.26Å; F437-N439 PolarHBondContact O-N 3.16Å; F437-N439 VanDerWaalsContact O-N 3.1Å; N439-C487 WeakPolarHBondContact O-CA 3.4Å; N439-S488 PolarHBondContact O-N 2.83Å; N439-S488 PolarHBondContact O-OG 2.91Å; N439-D489 HydrophobicContact CB-CB 3.92Å; N439-D489 WeakPolarHBondContact CB-OD2 3.45Å; N439-D489 PolarHBondContact ND2-OD2 2.92Å
440	C	97.1	Very high	95.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	142	-174	-57.8	0	0	0	0	112	I434 F437 P438 S486 C487	I434-C440 HydrophobicContact CB-CB 4.39Å; I434-C440 HydrophobicContact CD1-CB 4Å; I434-C440 PolarHBondContact N-O 3.28Å; F437-C440 HydrophobicContact CB-CB 3.84Å; F437-C440 WeakPolarHBondContact O-CB 3.22Å; F437-C440 PolarHBondContact O-N 3.11Å; P438-C440 VanDerWaalsContact C-N 3.32Å; C440-S486 CarbonylContact C-O 3.47Å; C440-S486 VanDerWaalsContact CA-O 3.27Å; C440-S486 WeakPolarHBondContact CA-O 3.22Å; C440-C487 HydrophobicContact CB-CB 4.13Å; C440-C487 WeakPolarHBondContact CB-SG 3.23Å; C440-C487 WeakPolarHBondContact SG-CB 3.36Å; C440-C487 CovalentContact SG-SG 2.03Å; C440-C487 PolarHBondContact SG-SG 2.85Å
441	V	97.5	Very high	95.8	Very high	13 Å²	13	29 Å²	29	8%	0.079	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	158	-179.4	-60.6	0	0	0	0	110.8	H430 H432 G485 S486	H430-V441 HydrophobicContact CB-CB 3.88Å; H430-V441 HydrophobicContact CB-CG2 3.54Å; H430-V441 VanDerWaalsContact CD2-CG1 3.42Å; H430-V441 WeakPolarHBondContact CD2-CG1 3.44Å; H432-V441 CarbonylContact O-C 3.57Å; H432-V441 VanDerWaalsContact O-CA 3.24Å; H432-V441 WeakPolarHBondContact O-CA 3.24Å; H432-V441 WeakPolarHBondContact O-CB 3.42Å; V441-G485 CarbonylContact O-C 3.44Å; V441-G485 WeakPolarHBondContact O-CA 3.06Å; V441-S486 PolarHBondContact N-O 3.1Å; V441-S486 PolarHBondContact O-N 3.21Å
442	V	97.7	Very high	95.9	Very high	8 Å²	8	24.4 Å²	24.4	5%	0.048	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	134.7	168.6	178.7	0	0	0	0	109.9	I47 H430 H431 H432 I434	I47-V442 HydrophobicContact CD1-CG2 4.36Å; I47-V442 HydrophobicContact CG2-CG2 4.32Å; H430-V442 WeakPolarHBondContact CB-O 3.5Å; H431-V442 HydrophobicContact CB-CB 4.43Å; H431-V442 PolarHBondContact N-O 3.45Å; H432-V442 WeakPolarHBondContact CE1-CG2 3.47Å; H432-V442 PolarHBondContact O-N 2.77Å; I434-V442 HydrophobicContact CD1-CG2 4.16Å; I434-V442 HydrophobicContact CG1-CG2 3.94Å
443	A	97.5	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.14	C	C	.	.			trans	-147.8	167.6	179.3	0	0	0	0	0	109.5	R409 I484	R409-A443 HydrophobicContact CB-CB 4.22Å; A443-I484 PolarHBondContact N-O 3.22Å; A443-I484 VanDerWaalsContact N-O 3.11Å; A443-I484 CarbonylContact O-C 3.52Å; A443-I484 WeakPolarHBondContact O-CB 3.31Å; A443-I484 WeakPolarHBondContact O-CG2 3.49Å
444	D	97.9	Very high	96.1	Very high	31 Å²	31	22.7 Å²	22.7	17%	0.166	14%	0.137	C	C	.	.	S	Bend	trans	-101.3	-23.4	178.7	-58.7	-55.3	0	0	0	112.5	H410 T411 I412 H431 F475 L479 I484	H410-D444 PolarHBondContact O-N 3.04Å; T411-D444 VanDerWaalsContact CA-OD2 3.24Å; T411-D444 WeakPolarHBondContact CA-OD2 3.21Å; I412-D444 HydrophobicContact CB-CB 3.82Å; I412-D444 HydrophobicContact CD1-CB 4.17Å; I412-D444 HydrophobicContact CG1-CB 3.82Å; I412-D444 PolarHBondContact N-OD2 3.25Å; H431-D444 IonicContact CD2-OD2 2.79Å; H431-D444 IonicContact CE1-OD2 3.06Å; H431-D444 IonicContact NE2-OD1 2.67Å; H431-D444 IonicContact NE2-OD2 3.07Å; H431-D444 PolarHBondContact NE2-OD2 2.85Å; D444-F475 WeakPolarHBondContact O-CB 3.41Å; D444-F475 VanDerWaalsContact O-CD1 3.31Å; D444-F475 WeakPolarHBondContact O-CD1 3.12Å; D444-L479 HydrophobicContact CB-CD2 4.31Å; D444-I484 WeakPolarHBondContact O-CD1 3.26Å
445	A	97.6	Very high	96.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-139.1	151.8	171	0	0	0	0	0	111.2	R409 H410 I412 L472 F475	R409-A445 CarbonylContact C-O 3.5Å; R409-A445 VanDerWaalsContact CA-O 3.26Å; R409-A445 WeakPolarHBondContact CA-O 3.48Å; H410-A445 HydrophobicContact CB-CB 4.08Å; H410-A445 PolarHBondContact N-O 2.77Å; H410-A445 PolarHBondContact O-N 3.05Å; I412-A445 HydrophobicContact CD1-CB 4.09Å; A445-L472 HydrophobicContact CB-CD2 3.61Å; A445-F475 HydrophobicContact CB-CB 3.63Å; A445-F475 HydrophobicContact CB-CD1 4.1Å; A445-F475 HydrophobicContact CB-CD2 3.44Å; A445-F475 VanDerWaalsContact CB-CD2 3.44Å; A445-F475 HydrophobicContact CB-CE2 4.07Å; A445-F475 HydrophobicContact CB-CG 3.44Å; A445-F475 VanDerWaalsContact CB-CG 3.44Å
446	V	97.6	Very high	96.3	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.134	C	C	.	.			trans	-136.7	166.5	-179	-59.7	0	0	0	0	111	L393 Y408 F450 H471 F475 I484 G485	L393-V446 HydrophobicContact CD2-CG2 3.58Å; Y408-V446 CarbonylContact O-C 3.59Å; V446-F450 HydrophobicContact CG2-CB 4Å; V446-F450 HydrophobicContact CG2-CD1 4.4Å; V446-F450 HydrophobicContact CG2-CG 4.5Å; V446-H471 PolarHBondContact O-CE1 3.26Å; V446-H471 VanDerWaalsContact O-CE1 3.31Å; V446-H471 PolarHBondContact O-NE2 3.14Å; V446-F475 HydrophobicContact CG2-CE1 4.06Å; V446-F475 HydrophobicContact CG2-CZ 3.68Å; V446-F475 WeakPolarHBondContact O-CE2 3.26Å; V446-I484 HydrophobicContact CG1-CG2 3.92Å; V446-G485 WeakPolarHBondContact CG1-O 3.46Å
447	I	95.4	Very high	96.6	Very high	23 Å²	23	19 Å²	19	12%	0.118	10%	0.103	C	C	.	.			trans	-58	158.5	173.8	-160.3	155.6	0	0	0	112.7	G396 V398 A406 T407 Y408 F449	G396-I447 WeakPolarHBondContact O-CG2 3.33Å; V398-I447 HydrophobicContact CB-CD1 3.67Å; V398-I447 HydrophobicContact CG2-CD1 3.49Å; V398-I447 VanDerWaalsContact CG2-CD1 3.49Å; V398-I447 HydrophobicContact CG2-CG1 3.83Å; V398-I447 HydrophobicContact CG2-CG2 4.06Å; A406-I447 HydrophobicContact CB-CD1 4.15Å; A406-I447 WeakPolarHBondContact O-CD1 3.3Å; T407-I447 VanDerWaalsContact O-CB 3.3Å; T407-I447 WeakPolarHBondContact O-CB 3.34Å; T407-I447 PolarHBondContact O-N 3.24Å; T407-I447 VanDerWaalsContact O-N 3.1Å; Y408-I447 PolarHBondContact O-N 3.49Å; I447-F449 HydrophobicContact CG2-CB 4.21Å; I447-F449 PolarHBondContact O-N 2.83Å
448	N	93.9	Very high	96.7	Very high	22 Å²	22	22.8 Å²	22.8	12%	0.118	12%	0.117	C	C	.	.	S	Bend	trans	-67.4	32.7	178.4	-73.5	-45.5	0	0	0	115	W348 R352 F371 H471	W348-N448 WeakPolarHBondContact CH2-ND2 2.99Å; W348-N448 WeakPolarHBondContact CH2-OD1 3.3Å; R352-N448 PolarHBondContact NH2-OD1 3.41Å; F371-N448 VanDerWaalsContact CE2-O 3.25Å; F371-N448 WeakPolarHBondContact CE2-O 3.28Å; N448-H471 PolarHBondContact OD1-CD2 3.09Å; N448-H471 PolarHBondContact OD1-NE2 2.79Å; N448-H471 VanDerWaalsContact OD1-NE2 3.13Å
449	F	97.8	Very high	97	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.113	C	C	.	.			trans	-131	94.9	168.6	174.3	-122.7	0	0	0	107.3	L365 V367 F371 T377 M382 G395 G396 V398 I447 V490 V492	L365-F449 HydrophobicContact CD1-CD2 4.38Å; L365-F449 HydrophobicContact CD1-CE2 3.89Å; L365-F449 HydrophobicContact CD2-CE2 4.22Å; L365-F449 HydrophobicContact CG-CE2 4.42Å; V367-F449 HydrophobicContact CG1-CD2 4.13Å; V367-F449 HydrophobicContact CG1-CE2 4.29Å; F371-F449 HydrophobicContact CD2-CD2 4.41Å; F371-F449 HydrophobicContact CE2-CB 3.76Å; F371-F449 HydrophobicContact CE2-CD2 4.4Å; F371-F449 HydrophobicContact CE2-CG 4.45Å; F371-F449 HydrophobicContact CZ-CB 4.4Å; T377-F449 HydrophobicContact CG2-CE2 4.22Å; T377-F449 HydrophobicContact CG2-CZ 3.74Å; M382-F449 HydrophobicContact SD-CZ 4.25Å; G395-F449 CarbonylContact C-O 2.94Å; G395-F449 WeakPolarHBondContact CA-O 3.14Å; G396-F449 PolarHBondContact N-O 3.04Å; V398-F449 HydrophobicContact CG2-CB 3.91Å; I447-F449 HydrophobicContact CG2-CB 4.21Å; I447-F449 PolarHBondContact O-N 2.83Å; F449-V490 HydrophobicContact CE1-CG1 4.05Å; F449-V490 HydrophobicContact CZ-CG1 4.23Å; F449-V492 HydrophobicContact CB-CG1 3.95Å; F449-V492 HydrophobicContact CD1-CB 4.09Å; F449-V492 HydrophobicContact CD1-CG1 3.61Å; F449-V492 HydrophobicContact CD2-CB 4.13Å; F449-V492 HydrophobicContact CD2-CG1 3.77Å; F449-V492 HydrophobicContact CE1-CB 3.98Å; F449-V492 HydrophobicContact CE1-CG1 4.03Å; F449-V492 HydrophobicContact CE2-CB 4Å; F449-V492 HydrophobicContact CE2-CG1 4.17Å; F449-V492 HydrophobicContact CE2-CG2 4.49Å; F449-V492 HydrophobicContact CG-CB 4.18Å; F449-V492 HydrophobicContact CG-CG1 3.48Å; F449-V492 VanDerWaalsContact CG-CG1 3.48Å; F449-V492 HydrophobicContact CZ-CB 3.95Å; F449-V492 HydrophobicContact CZ-CG1 4.31Å
450	F	98.4	Very high	97.1	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.009	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	148.7	-176.1	63.3	-100.8	0	0	0	112.3	L365 W366 L393 V394 V446 A452 F462	L365-F450 WeakPolarHBondContact CA-O 3.32Å; W366-F450 HydrophobicContact CB-CD1 4.45Å; W366-F450 HydrophobicContact CB-CD2 4.31Å; W366-F450 HydrophobicContact CB-CE1 4.02Å; W366-F450 HydrophobicContact CB-CE2 3.87Å; W366-F450 HydrophobicContact CB-CZ 3.71Å; W366-F450 HydrophobicContact CG-CE1 4.33Å; W366-F450 HydrophobicContact CG-CZ 4.2Å; W366-F450 PolarHBondContact N-O 2.83Å; L393-F450 HydrophobicContact CD1-CD2 3.47Å; L393-F450 VanDerWaalsContact CD1-CD2 3.47Å; L393-F450 HydrophobicContact CD1-CE2 3.75Å; L393-F450 HydrophobicContact CD1-CG 3.98Å; L393-F450 HydrophobicContact CD1-CZ 4.46Å; L393-F450 HydrophobicContact CD2-CB 3.86Å; L393-F450 HydrophobicContact CD2-CD2 4.34Å; L393-F450 HydrophobicContact CD2-CG 4.16Å; L393-F450 HydrophobicContact CG-CB 4.13Å; L393-F450 HydrophobicContact CG-CD2 3.81Å; L393-F450 HydrophobicContact CG-CG 4.14Å; V394-F450 CarbonylContact O-C 3.59Å; V394-F450 VanDerWaalsContact O-CA 3.27Å; V394-F450 WeakPolarHBondContact O-CA 3.49Å; V394-F450 WeakPolarHBondContact O-CB 3.39Å; V446-F450 HydrophobicContact CG2-CB 4Å; V446-F450 HydrophobicContact CG2-CD1 4.4Å; V446-F450 HydrophobicContact CG2-CG 4.5Å; F450-A452 HydrophobicContact CD2-CB 4.23Å; F450-A452 HydrophobicContact CE2-CB 4.45Å; F450-F462 HydrophobicContact CZ-CZ 4.3Å
451	M	98.8	Very high	97	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.4	169	-174.7	-179.3	-68.4	0	0	108.9	V291 Y363 V364 L365 L379 M382 V383 L386 L393 V394	V291-M451 HydrophobicContact CB-CE 4.45Å; V291-M451 HydrophobicContact CG1-CE 3.87Å; V291-M451 HydrophobicContact CG2-CE 3.65Å; V291-M451 HydrophobicContact CG2-SD 4.06Å; Y363-M451 HydrophobicContact CG-CG 4.49Å; Y363-M451 HydrophobicContact CG-SD 4.31Å; V364-M451 CarbonylContact O-C 3.35Å; V364-M451 VanDerWaalsContact O-CA 3.32Å; V364-M451 WeakPolarHBondContact O-CA 3.4Å; L365-M451 HydrophobicContact CD1-CB 3.95Å; L365-M451 HydrophobicContact CD1-CE 4.38Å; L379-M451 HydrophobicContact CB-CE 4.06Å; L379-M451 HydrophobicContact CD2-CE 3.98Å; M382-M451 HydrophobicContact CB-CB 3.97Å; M382-M451 HydrophobicContact CB-CE 3.71Å; M382-M451 HydrophobicContact CB-CG 4.45Å; M382-M451 HydrophobicContact CB-SD 3.66Å; M382-M451 HydrophobicContact CE-CB 3.77Å; M382-M451 HydrophobicContact SD-CB 4Å; M382-M451 HydrophobicContact SD-CE 4.24Å; V383-M451 HydrophobicContact CG2-CE 4.06Å; V383-M451 HydrophobicContact CG2-SD 3.6Å; L386-M451 HydrophobicContact CD1-CB 4.22Å; L386-M451 HydrophobicContact CD1-CG 3.76Å; L386-M451 HydrophobicContact CD1-SD 3.98Å; L393-M451 CarbonylContact C-O 3.55Å; L393-M451 WeakPolarHBondContact CA-O 3.43Å; V394-M451 HydrophobicContact CG1-CB 4.32Å; V394-M451 PolarHBondContact N-O 3.33Å; V394-M451 PolarHBondContact O-N 3.01Å
452	A	98.4	Very high	96.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	157.8	-178.1	0	0	0	0	0	112	Y363 V364 D392 L393 F450 T454 V457	Y363-A452 VanDerWaalsContact CA-O 3.29Å; Y363-A452 WeakPolarHBondContact CA-O 3.24Å; V364-A452 PolarHBondContact N-O 2.81Å; V364-A452 PolarHBondContact O-N 3.12Å; D392-A452 CarbonylContact O-C 3.52Å; D392-A452 VanDerWaalsContact O-CA 3.28Å; D392-A452 WeakPolarHBondContact O-CA 3.49Å; L393-A452 HydrophobicContact CB-CB 3.76Å; L393-A452 HydrophobicContact CD1-CB 3.83Å; L393-A452 HydrophobicContact CG-CB 3.78Å; F450-A452 HydrophobicContact CD2-CB 4.23Å; F450-A452 HydrophobicContact CE2-CB 4.45Å; A452-T454 PolarHBondContact O-N 3.48Å; A452-V457 HydrophobicContact CB-CG2 3.3Å
453	R	97	Very high	96.6	Very high	11 Å²	11	22.2 Å²	22.2	4%	0.042	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	124	169.1	-70.7	-179.1	177.2	-76.1	-17.9	109.6	R144 Y363 L386 D392 D455 K456 V457	R144-R453 VanDerWaalsContact NE-CZ 3.31Å; Y363-R453 HydrophobicContact CD1-CG 4.11Å; Y363-R453 HydrophobicContact CE1-CG 3.66Å; Y363-R453 PolarHBondContact OH-NH2 3.13Å; L386-R453 PolarHBondContact O-NH2 2.73Å; D392-R453 PolarHBondContact O-N 2.83Å; R453-D455 VanDerWaalsContact C-N 3.27Å; R453-D455 PolarHBondContact O-N 2.93Å; R453-K456 HydrophobicContact CB-CB 4.07Å; R453-K456 HydrophobicContact CB-CG 3.97Å; R453-K456 PolarHBondContact O-N 2.86Å; R453-K456 VanDerWaalsContact O-N 3.1Å; R453-V457 PolarHBondContact O-N 2.87Å; R453-V457 VanDerWaalsContact O-N 3.13Å
454	T	97.5	Very high	96.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.3	-40.6	-173.5	-58.9	0	0	0	0	112.1	V359 T361 K362 V364 A452 K456 R458	V359-T454 HydrophobicContact CB-CG2 3.89Å; V359-T454 HydrophobicContact CG1-CG2 3.72Å; T361-T454 WeakPolarHBondContact O-CB 3.38Å; T361-T454 PolarHBondContact O-OG1 2.99Å; K362-T454 PolarHBondContact O-N 2.86Å; K362-T454 PolarHBondContact O-OG1 3.45Å; V364-T454 PolarHBondContact N-OG1 3.32Å; A452-T454 PolarHBondContact O-N 3.48Å; T454-K456 PolarHBondContact O-N 3.48Å; T454-R458 WeakPolarHBondContact O-CB 3.2Å; T454-R458 WeakPolarHBondContact O-CD 3.27Å; T454-R458 VanDerWaalsContact O-CG 3.23Å; T454-R458 WeakPolarHBondContact O-CG 3.49Å; T454-R458 PolarHBondContact O-N 3.06Å; T454-R458 VanDerWaalsContact O-N 3.15Å
455	D	95.6	Very high	95.8	Very high	36 Å²	36	28.5 Å²	28.5	19%	0.193	14%	0.139	C	C	.	.	H	α-helix	trans	-69.3	-31.7	-179.9	65.3	-45	0	0	0	113.3	K275 R453 Q459	K275-D455 HydrophobicContact CD-CB 3.97Å; R453-D455 VanDerWaalsContact C-N 3.27Å; R453-D455 PolarHBondContact O-N 2.93Å; D455-Q459 WeakPolarHBondContact O-CB 3.07Å; D455-Q459 PolarHBondContact O-N 3.37Å
456	K	95.9	Very high	95.3	Very high	46 Å²	46	29 Å²	29	20%	0.2	14%	0.141	C	C	.	.	H	α-helix	trans	-72.7	-44.1	176.9	-71.1	-69.4	-165.3	164.3	0	112.6	D392 R453 T454 R458 Q459 V460 T481 M482	D392-K456 HydrophobicContact CB-CB 4.3Å; D392-K456 HydrophobicContact CB-CG 4.02Å; D392-K456 WeakPolarHBondContact OD1-CE 3.28Å; D392-K456 IonicContact OD2-NZ 3.68Å; R453-K456 HydrophobicContact CB-CB 4.07Å; R453-K456 HydrophobicContact CB-CG 3.97Å; R453-K456 PolarHBondContact O-N 2.86Å; R453-K456 VanDerWaalsContact O-N 3.1Å; T454-K456 PolarHBondContact O-N 3.48Å; K456-R458 VanDerWaalsContact C-N 3.25Å; K456-R458 PolarHBondContact O-N 2.84Å; K456-Q459 WeakPolarHBondContact O-CB 3.13Å; K456-Q459 PolarHBondContact O-N 3.18Å; K456-Q459 VanDerWaalsContact O-N 3.12Å; K456-V460 PolarHBondContact O-N 3.31Å; K456-T481 PolarHBondContact NZ-O 2.77Å; K456-M482 HydrophobicContact CB-CE 3.98Å; K456-M482 HydrophobicContact CB-CG 4.34Å; K456-M482 HydrophobicContact CB-SD 4.3Å
457	V	97.4	Very high	94.6	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.012	15%	0.148	C	C	.	.	H	α-helix	trans	-61	-39.3	174	-178.7	0	0	0	0	110.8	V356 V364 A452 R453 G461 F462 F474	V356-V457 HydrophobicContact CG1-CB 4.35Å; V356-V457 HydrophobicContact CG1-CG1 4Å; V356-V457 HydrophobicContact CG2-CG1 4.22Å; V364-V457 HydrophobicContact CG1-CG2 4.11Å; A452-V457 HydrophobicContact CB-CG2 3.3Å; R453-V457 PolarHBondContact O-N 2.87Å; R453-V457 VanDerWaalsContact O-N 3.13Å; V457-G461 WeakPolarHBondContact O-CA 3.34Å; V457-G461 PolarHBondContact O-N 2.82Å; V457-F462 HydrophobicContact CG1-CE2 3.52Å; V457-F462 HydrophobicContact CG1-CZ 3.83Å; V457-F474 HydrophobicContact CG1-CE2 4.4Å; V457-F474 HydrophobicContact CG1-CZ 4.37Å
458	R	96.8	Very high	93.8	Very high	106 Å²	106	31.8 Å²	31.8	40%	0.4	15%	0.153	S	C	.	.	H	α-helix	trans	-67.1	-35.8	174.5	-72.5	170.6	173.2	171.7	-8.8	113.3	V356 S357 V359 T454 K456	V356-R458 HydrophobicContact CG1-CG 3.71Å; V356-R458 VanDerWaalsContact O-CZ 3.29Å; V356-R458 PolarHBondContact O-NE 2.94Å; V356-R458 PolarHBondContact O-NH2 2.93Å; S357-R458 VanDerWaalsContact C-NH2 3.28Å; S357-R458 PolarHBondContact O-NH2 2.94Å; V359-R458 VanDerWaalsContact O-CZ 3.26Å; V359-R458 PolarHBondContact O-NH1 2.72Å; V359-R458 PolarHBondContact O-NH2 2.9Å; T454-R458 WeakPolarHBondContact O-CB 3.2Å; T454-R458 WeakPolarHBondContact O-CD 3.27Å; T454-R458 VanDerWaalsContact O-CG 3.23Å; T454-R458 WeakPolarHBondContact O-CG 3.49Å; T454-R458 PolarHBondContact O-N 3.06Å; T454-R458 VanDerWaalsContact O-N 3.15Å; K456-R458 VanDerWaalsContact C-N 3.25Å; K456-R458 PolarHBondContact O-N 2.84Å
459	Q	95.8	Very high	92.9	Very high	122 Å²	122	35.6 Å²	35.6	57%	0.57	18%	0.177	S	C	*	.	H	α-helix	trans	-65.1	-43.5	178.1	-178.5	-179.4	7.6	0	0	111.4	D455 K456 T481	D455-Q459 WeakPolarHBondContact O-CB 3.07Å; D455-Q459 PolarHBondContact O-N 3.37Å; K456-Q459 WeakPolarHBondContact O-CB 3.13Å; K456-Q459 PolarHBondContact O-N 3.18Å; K456-Q459 VanDerWaalsContact O-N 3.12Å; Q459-T481 HydrophobicContact CG-CG2 4.27Å
460	V	96.9	Very high	92	Very high	30 Å²	30	36.2 Å²	36.2	18%	0.182	18%	0.184	C	C	.	.	H	α-helix	trans	-73.8	-50.1	176.8	177.9	0	0	0	0	110.4	K456 F474 D477 A478 T481 M482	K456-V460 PolarHBondContact O-N 3.31Å; V460-F474 HydrophobicContact CB-CE2 3.84Å; V460-F474 HydrophobicContact CB-CZ 4.43Å; V460-F474 HydrophobicContact CG1-CD2 3.79Å; V460-F474 HydrophobicContact CG1-CE2 3.58Å; V460-F474 HydrophobicContact CG1-CZ 4.31Å; V460-D477 HydrophobicContact CG1-CB 3.93Å; V460-A478 HydrophobicContact CG1-CB 4.08Å; V460-A478 HydrophobicContact CG2-CB 4.03Å; V460-T481 HydrophobicContact CG2-CG2 4.2Å; V460-M482 HydrophobicContact CB-SD 4.45Å; V460-M482 HydrophobicContact CG2-CG 3.88Å; V460-M482 HydrophobicContact CG2-SD 3.58Å; V460-M482 VanDerWaalsContact CG2-SD 3.58Å
461	G	95.3	Very high	91.4	Very high	16 Å²	16	37.3 Å²	37.3	17%	0.165	19%	0.189	C	C	.	.			trans	70.1	161	-177.2	0	0	0	0	0	113.5	V457 F474	V457-G461 WeakPolarHBondContact O-CA 3.34Å; V457-G461 PolarHBondContact O-N 2.82Å; G461-F474 WeakPolarHBondContact O-CD2 3.18Å
462	F	94.7	Very high	91.1	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.018	19%	0.191	C	C	.	.			trans	-102.4	121	174.2	-61.9	-82.6	0	0	0	109.1	F349 R352 N353 V356 F450 V457 P464 F474	F349-F462 HydrophobicContact CB-CB 3.82Å; F349-F462 HydrophobicContact CD2-CB 3.6Å; F349-F462 HydrophobicContact CD2-CD1 4.24Å; F349-F462 HydrophobicContact CD2-CG 4.43Å; F349-F462 HydrophobicContact CE2-CB 4.44Å; F349-F462 HydrophobicContact CE2-CD1 4.36Å; F349-F462 HydrophobicContact CG-CB 3.94Å; R352-F462 HydrophobicContact CB-CB 4.28Å; R352-F462 HydrophobicContact CB-CD1 4.3Å; R352-F462 HydrophobicContact CB-CD2 3.38Å; R352-F462 HydrophobicContact CB-CE2 3.69Å; R352-F462 HydrophobicContact CB-CG 3.72Å; R352-F462 HydrophobicContact CB-CZ 4.28Å; R352-F462 VanDerWaalsContact CD-CE1 3.47Å; R352-F462 HydrophobicContact CG-CD1 4.49Å; R352-F462 HydrophobicContact CG-CD2 4.35Å; R352-F462 HydrophobicContact CG-CE2 4.48Å; R352-F462 HydrophobicContact CG-CG 4.36Å; N353-F462 PolarHBondContact ND2-O 3.43Å; N353-F462 WeakPolarHBondContact OD1-CD2 3.19Å; N353-F462 PolarHBondContact OD1-N 2.74Å; V356-F462 HydrophobicContact CG2-CE2 4.39Å; F450-F462 HydrophobicContact CZ-CZ 4.3Å; V457-F462 HydrophobicContact CG1-CE2 3.52Å; V457-F462 HydrophobicContact CG1-CZ 3.83Å; F462-P464 WeakPolarHBondContact O-CD 3.32Å; F462-F474 HydrophobicContact CD1-CB 3.97Å; F462-F474 AromaticContact CD1-CD2 3.51Å; F462-F474 HydrophobicContact CD1-CD2 3.51Å; F462-F474 HydrophobicContact CD1-CE2 4.22Å; F462-F474 AromaticContact CD1-CG 3.85Å; F462-F474 HydrophobicContact CD1-CG 3.85Å; F462-F474 HydrophobicContact CE1-CB 3.96Å; F462-F474 HydrophobicContact CE1-CD1 4.04Å; F462-F474 AromaticContact CE1-CD2 3.29Å; F462-F474 HydrophobicContact CE1-CD2 3.29Å; F462-F474 HydrophobicContact CE1-CE1 4.4Å; F462-F474 AromaticContact CE1-CE2 3.72Å; F462-F474 HydrophobicContact CE1-CE2 3.72Å; F462-F474 AromaticContact CE1-CG 3.47Å; F462-F474 HydrophobicContact CE1-CG 3.47Å; F462-F474 VanDerWaalsContact CE1-CG 3.47Å; F462-F474 HydrophobicContact CE1-CZ 4.26Å; F462-F474 HydrophobicContact CE2-CE2 4.35Å; F462-F474 HydrophobicContact CG-CD2 4.23Å; F462-F474 AromaticContact CZ-CD2 3.88Å; F462-F474 HydrophobicContact CZ-CD2 3.88Å; F462-F474 AromaticContact CZ-CE2 3.79Å; F462-F474 HydrophobicContact CZ-CE2 3.79Å; F462-F474 HydrophobicContact CZ-CG 4.32Å; F462-F474 HydrophobicContact CZ-CZ 4.18Å
463	D	92.4	Very high	90.8	Very high	16 Å²	16	38.1 Å²	38.1	9%	0.086	19%	0.193	C	C	.	.			trans	-58.4	108.8	176.6	-166	-31.2	0	0	0	112.3	F349 R465 L466 K532	F349-D463 VanDerWaalsContact CB-O 3.22Å; F349-D463 WeakPolarHBondContact CB-O 2.96Å; F349-D463 VanDerWaalsContact CD2-O 3.3Å; F349-D463 WeakPolarHBondContact CD2-O 3.46Å; D463-R465 PolarHBondContact O-N 2.71Å; D463-R465 WeakPolarHBondContact OD1-CB 3.36Å; D463-R465 VanDerWaalsContact OD1-CG 3.26Å; D463-R465 WeakPolarHBondContact OD1-CG 3.41Å; D463-R465 PolarHBondContact OD1-N 3.04Å; D463-R465 IonicContact OD1-NE 2.72Å; D463-R465 PolarHBondContact OD1-NE 2.75Å; D463-R465 IonicContact OD2-CZ 2.53Å; D463-R465 IonicContact OD2-NE 3.48Å; D463-R465 PolarHBondContact OD2-NE 3.06Å; D463-R465 IonicContact OD2-NH2 3.5Å; D463-R465 PolarHBondContact OD2-NH2 2.87Å; D463-L466 HydrophobicContact CB-CD1 4.31Å; D463-L466 WeakPolarHBondContact O-CB 3.45Å; D463-L466 PolarHBondContact O-N 2.81Å; D463-K532 IonicContact OD2-NZ 3.96Å; D463-K532 PolarHBondContact OD2-NZ 3.33Å; D463-K532 VanDerWaalsContact OD2-NZ 3.11Å
464	P	91	Very high	90.7	Very high	69 Å²	69	37.6 Å²	37.6	45%	0.448	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-6.8	-174.4	30.5	-35.8	0	0	0	113.3	A350 F462 L466	A350-P464 HydrophobicContact CB-CB 3.99Å; F462-P464 WeakPolarHBondContact O-CD 3.32Å; P464-L466 PolarHBondContact O-N 2.93Å
465	R	87.6	Confident	90.7	Very high	94 Å²	94	37.7 Å²	37.7	36%	0.355	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-19.7	171.7	-58.6	178.7	-59.6	157.5	0.8	111.9	D463 S467 V523	D463-R465 PolarHBondContact O-N 2.71Å; D463-R465 WeakPolarHBondContact OD1-CB 3.36Å; D463-R465 VanDerWaalsContact OD1-CG 3.26Å; D463-R465 WeakPolarHBondContact OD1-CG 3.41Å; D463-R465 PolarHBondContact OD1-N 3.04Å; D463-R465 IonicContact OD1-NE 2.72Å; D463-R465 PolarHBondContact OD1-NE 2.75Å; D463-R465 IonicContact OD2-CZ 2.53Å; D463-R465 IonicContact OD2-NE 3.48Å; D463-R465 PolarHBondContact OD2-NE 3.06Å; D463-R465 IonicContact OD2-NH2 3.5Å; D463-R465 PolarHBondContact OD2-NH2 2.87Å; R465-S467 PolarHBondContact O-N 3.42Å; R465-V523 HydrophobicContact CB-CB 4.22Å; R465-V523 HydrophobicContact CB-CG2 3.89Å; R465-V523 HydrophobicContact CG-CG2 4.33Å
466	L	86.8	Confident	90.7	Very high	9 Å²	9	36.3 Å²	36.3	5%	0.047	18%	0.184	C	C	.	.			trans	-86.8	84.7	173.4	-66.9	170.5	0	0	0	110.6	F349 D463 P464 E473 I528	F349-L466 HydrophobicContact CB-CB 4.44Å; F349-L466 WeakPolarHBondContact CB-O 3.07Å; F349-L466 HydrophobicContact CD1-CB 3.87Å; F349-L466 VanDerWaalsContact CD1-O 3.32Å; F349-L466 WeakPolarHBondContact CD1-O 3.42Å; F349-L466 HydrophobicContact CD2-CB 3.87Å; F349-L466 HydrophobicContact CD2-CD1 3.94Å; F349-L466 HydrophobicContact CE1-CB 4.03Å; F349-L466 HydrophobicContact CE1-CD1 4.42Å; F349-L466 HydrophobicContact CE2-CB 4.09Å; F349-L466 HydrophobicContact CE2-CD1 3.46Å; F349-L466 VanDerWaalsContact CE2-CD1 3.46Å; F349-L466 HydrophobicContact CE2-CG 4.42Å; F349-L466 HydrophobicContact CG-CB 3.82Å; F349-L466 WeakPolarHBondContact CG-O 3.49Å; F349-L466 HydrophobicContact CZ-CB 4.18Å; F349-L466 HydrophobicContact CZ-CD1 3.76Å; D463-L466 HydrophobicContact CB-CD1 4.31Å; D463-L466 WeakPolarHBondContact O-CB 3.45Å; D463-L466 PolarHBondContact O-N 2.81Å; P464-L466 PolarHBondContact O-N 2.93Å; L466-E473 HydrophobicContact CD1-CB 3.53Å; L466-E473 HydrophobicContact CD1-CG 3.65Å; L466-I528 HydrophobicContact CD1-CD1 3.98Å; L466-I528 HydrophobicContact CD2-CD1 3.3Å; L466-I528 HydrophobicContact CG-CD1 3.51Å
467	S	82.3	Confident	90.7	Very high	20 Å²	20	35.9 Å²	35.9	14%	0.14	18%	0.184	C	C	.	.	S	Bend	trans	-81.6	-27.5	-170.7	61	0	0	0	0	114.9	G347 W348 R465	G347-S467 CarbonylContact C-O 3.56Å; G347-S467 WeakPolarHBondContact CA-O 3.24Å; W348-S467 PolarHBondContact N-O 3.39Å; R465-S467 PolarHBondContact O-N 3.42Å
468	R	79.3	Confident	90.7	Very high	62 Å²	62	35.9 Å²	35.9	23%	0.234	18%	0.184	C	C	.	.	S	Bend	trans	-137.1	-37.5	-170.1	-62.3	-63.3	-177.7	-94.9	-1.5	115	G345 F514	G345-R468 PolarHBondContact O-NH1 2.91Å; G345-R468 PolarHBondContact O-NH2 3.38Å; R468-F514 WeakPolarHBondContact CD-O 3.2Å; R468-F514 PolarHBondContact NE-O 2.91Å
469	T	74.8	Confident	90.6	Very high	102 Å²	102	33.4 Å²	33.4	63%	0.626	18%	0.179	S	C	*	.			trans	-120.3	130.6	179.5	-56.2	0	0	0	0	108.1
470	G	78.9	Confident	90.4	Very high	13 Å²	13	32 Å²	32	13%	0.134	20%	0.197	C	C	.	.			trans	165.7	150.3	173.7	0	0	0	0	0	108.1	W348 E473	W348-G470 WeakPolarHBondContact CZ3-O 3.26Å; G470-E473 WeakPolarHBondContact CA-OE2 3.39Å
471	H	85.9	Confident	90.2	Very high	25 Å²	25	33 Å²	33	12%	0.116	20%	0.203	C	C	.	.	S	Bend	trans	-162.2	-58.9	172.5	-176.3	-168.7	0	0	0	108.5	Y408 V446 N448 E473 F475	Y408-H471 AromaticContact CD1-CE1 3.28Å; Y408-H471 WeakPolarHBondContact CD1-CE1 3.36Å; Y408-H471 AromaticContact CD1-ND1 3.52Å; Y408-H471 AromaticContact CE1-CE1 3.49Å; Y408-H471 VanDerWaalsContact CE1-CE1 3.49Å; Y408-H471 WeakPolarHBondContact CE1-CE1 3.3Å; Y408-H471 AromaticContact CE1-ND1 3.2Å; Y408-H471 WeakPolarHBondContact CE1-ND1 3.24Å; V446-H471 PolarHBondContact O-CE1 3.26Å; V446-H471 VanDerWaalsContact O-CE1 3.31Å; V446-H471 PolarHBondContact O-NE2 3.14Å; N448-H471 PolarHBondContact OD1-CD2 3.09Å; N448-H471 PolarHBondContact OD1-NE2 2.79Å; N448-H471 VanDerWaalsContact OD1-NE2 3.13Å; H471-E473 VanDerWaalsContact C-N 3.25Å; H471-E473 PolarHBondContact N-OE2 2.82Å; H471-E473 PolarHBondContact O-N 2.83Å; H471-F475 AromaticContact CD2-CE2 3.81Å; H471-F475 AromaticContact NE2-CE2 3.83Å; H471-F475 WeakPolarHBondContact O-CD2 3.28Å
472	L	91.9	Very high	90.3	Very high	9 Å²	9	33.2 Å²	33.2	5%	0.047	20%	0.2	C	C	.	.	H	α-helix	trans	-69.7	-22.9	-178.5	-62	178.2	0	0	0	112.4	Y408 M426 A445 F474 F475 V476	Y408-L472 HydrophobicContact CE1-CD2 4.17Å; M426-L472 HydrophobicContact CE-CD1 4.42Å; M426-L472 HydrophobicContact SD-CB 4.11Å; M426-L472 HydrophobicContact SD-CD1 3.72Å; A445-L472 HydrophobicContact CB-CD2 3.61Å; L472-F474 VanDerWaalsContact C-N 3.33Å; L472-F474 PolarHBondContact O-N 3.39Å; L472-F475 CarbonylContact O-C 3.47Å; L472-F475 WeakPolarHBondContact O-CA 3.46Å; L472-F475 WeakPolarHBondContact O-CB 3.33Å; L472-F475 PolarHBondContact O-N 3.15Å; L472-V476 WeakPolarHBondContact O-CG2 3.18Å; L472-V476 PolarHBondContact O-N 3.09Å
473	E	93.2	Very high	90.3	Very high	9 Å²	9	35.6 Å²	35.6	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-39.2	-177.7	-65.7	71	-156.4	0	0	112.3	L466 G470 H471 F475 V476 D477 R525 F529	L466-E473 HydrophobicContact CD1-CB 3.53Å; L466-E473 HydrophobicContact CD1-CG 3.65Å; G470-E473 WeakPolarHBondContact CA-OE2 3.39Å; H471-E473 VanDerWaalsContact C-N 3.25Å; H471-E473 PolarHBondContact N-OE2 2.82Å; H471-E473 PolarHBondContact O-N 2.83Å; E473-F475 VanDerWaalsContact C-N 3.28Å; E473-F475 PolarHBondContact O-N 3.2Å; E473-V476 PolarHBondContact O-N 3.15Å; E473-D477 PolarHBondContact O-N 2.71Å; E473-R525 IonicContact OE1-CZ 3.39Å; E473-R525 IonicContact OE1-NE 2.71Å; E473-R525 PolarHBondContact OE1-NE 2.79Å; E473-R525 IonicContact OE1-NH2 3.51Å; E473-R525 PolarHBondContact OE1-NH2 2.92Å; E473-F529 HydrophobicContact CG-CE1 3.94Å; E473-F529 HydrophobicContact CG-CZ 3.92Å
474	F	94.8	Very high	90.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-41.5	173	168.5	-101.9	0	0	0	111.4	L393 V457 V460 G461 F462 L472 D477 A478 M482	L393-F474 HydrophobicContact CD1-CE1 4.1Å; V457-F474 HydrophobicContact CG1-CE2 4.4Å; V457-F474 HydrophobicContact CG1-CZ 4.37Å; V460-F474 HydrophobicContact CB-CE2 3.84Å; V460-F474 HydrophobicContact CB-CZ 4.43Å; V460-F474 HydrophobicContact CG1-CD2 3.79Å; V460-F474 HydrophobicContact CG1-CE2 3.58Å; V460-F474 HydrophobicContact CG1-CZ 4.31Å; G461-F474 WeakPolarHBondContact O-CD2 3.18Å; F462-F474 HydrophobicContact CD1-CB 3.97Å; F462-F474 AromaticContact CD1-CD2 3.51Å; F462-F474 HydrophobicContact CD1-CD2 3.51Å; F462-F474 HydrophobicContact CD1-CE2 4.22Å; F462-F474 AromaticContact CD1-CG 3.85Å; F462-F474 HydrophobicContact CD1-CG 3.85Å; F462-F474 HydrophobicContact CE1-CB 3.96Å; F462-F474 HydrophobicContact CE1-CD1 4.04Å; F462-F474 AromaticContact CE1-CD2 3.29Å; F462-F474 HydrophobicContact CE1-CD2 3.29Å; F462-F474 HydrophobicContact CE1-CE1 4.4Å; F462-F474 AromaticContact CE1-CE2 3.72Å; F462-F474 HydrophobicContact CE1-CE2 3.72Å; F462-F474 AromaticContact CE1-CG 3.47Å; F462-F474 HydrophobicContact CE1-CG 3.47Å; F462-F474 VanDerWaalsContact CE1-CG 3.47Å; F462-F474 HydrophobicContact CE1-CZ 4.26Å; F462-F474 HydrophobicContact CE2-CE2 4.35Å; F462-F474 HydrophobicContact CG-CD2 4.23Å; F462-F474 AromaticContact CZ-CD2 3.88Å; F462-F474 HydrophobicContact CZ-CD2 3.88Å; F462-F474 AromaticContact CZ-CE2 3.79Å; F462-F474 HydrophobicContact CZ-CE2 3.79Å; F462-F474 HydrophobicContact CZ-CG 4.32Å; F462-F474 HydrophobicContact CZ-CZ 4.18Å; L472-F474 VanDerWaalsContact C-N 3.33Å; L472-F474 PolarHBondContact O-N 3.39Å; F474-D477 PolarHBondContact O-N 2.97Å; F474-A478 WeakPolarHBondContact O-CB 3.36Å; F474-A478 PolarHBondContact O-N 3.3Å; F474-M482 HydrophobicContact CZ-SD 4.16Å
475	F	96.9	Very high	90.9	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-73.4	-33.6	-178.5	-67.2	-66.9	0	0	0	112.6	L393 I412 D444 A445 V446 H471 L472 E473 A478 L479 I484	L393-F475 HydrophobicContact CD1-CE1 4.19Å; L393-F475 HydrophobicContact CD2-CE1 4.28Å; I412-F475 HydrophobicContact CD1-CB 4.15Å; D444-F475 WeakPolarHBondContact O-CB 3.41Å; D444-F475 VanDerWaalsContact O-CD1 3.31Å; D444-F475 WeakPolarHBondContact O-CD1 3.12Å; A445-F475 HydrophobicContact CB-CB 3.63Å; A445-F475 HydrophobicContact CB-CD1 4.1Å; A445-F475 HydrophobicContact CB-CD2 3.44Å; A445-F475 VanDerWaalsContact CB-CD2 3.44Å; A445-F475 HydrophobicContact CB-CE2 4.07Å; A445-F475 HydrophobicContact CB-CG 3.44Å; A445-F475 VanDerWaalsContact CB-CG 3.44Å; V446-F475 HydrophobicContact CG2-CE1 4.06Å; V446-F475 HydrophobicContact CG2-CZ 3.68Å; V446-F475 WeakPolarHBondContact O-CE2 3.26Å; H471-F475 AromaticContact CD2-CE2 3.81Å; H471-F475 AromaticContact NE2-CE2 3.83Å; H471-F475 WeakPolarHBondContact O-CD2 3.28Å; L472-F475 CarbonylContact O-C 3.47Å; L472-F475 WeakPolarHBondContact O-CA 3.46Å; L472-F475 WeakPolarHBondContact O-CB 3.33Å; L472-F475 PolarHBondContact O-N 3.15Å; E473-F475 VanDerWaalsContact C-N 3.28Å; E473-F475 PolarHBondContact O-N 3.2Å; F475-A478 WeakPolarHBondContact O-CB 3.16Å; F475-A478 PolarHBondContact O-N 2.84Å; F475-L479 PolarHBondContact O-N 3.32Å; F475-I484 HydrophobicContact CD1-CD1 3.63Å; F475-I484 HydrophobicContact CE1-CD1 4.02Å
476	V	96.4	Very high	91.4	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-61.6	-45.4	169.9	170.1	0	0	0	0	110.6	I412 L424 M426 L472 E473 A478 L479 F529 F535	I412-V476 HydrophobicContact CD1-CG2 4.27Å; L424-V476 HydrophobicContact CD1-CG2 4.26Å; L424-V476 HydrophobicContact CD2-CG2 4Å; M426-V476 HydrophobicContact SD-CG2 4.42Å; L472-V476 WeakPolarHBondContact O-CG2 3.18Å; L472-V476 PolarHBondContact O-N 3.09Å; E473-V476 PolarHBondContact O-N 3.15Å; V476-A478 PolarHBondContact O-N 3.24Å; V476-L479 WeakPolarHBondContact O-CB 3.24Å; V476-L479 WeakPolarHBondContact O-CG 3.41Å; V476-L479 PolarHBondContact O-N 2.78Å; V476-F529 HydrophobicContact CG1-CE1 4.34Å; V476-F529 HydrophobicContact CG2-CE1 4.39Å; V476-F535 HydrophobicContact CG1-CE2 3.68Å; V476-F535 HydrophobicContact CG1-CZ 4.11Å
477	D	95.6	Very high	91.9	Very high	37 Å²	37	27.1 Å²	27.1	20%	0.198	17%	0.17	C	C	.	.	H	α-helix	trans	-67.9	-22.1	175.9	-67.6	-24.6	0	0	0	112.7	V460 E473 F474 K532 N533	V460-D477 HydrophobicContact CG1-CB 3.93Å; E473-D477 PolarHBondContact O-N 2.71Å; F474-D477 PolarHBondContact O-N 2.97Å; D477-K532 VanDerWaalsContact CG-NZ 3.28Å; D477-K532 WeakPolarHBondContact OD1-CE 3.37Å; D477-K532 IonicContact OD1-NZ 2.8Å; D477-K532 PolarHBondContact OD1-NZ 2.92Å; D477-K532 IonicContact OD2-NZ 3Å; D477-K532 PolarHBondContact OD2-NZ 3.38Å; D477-N533 PolarHBondContact OD1-ND2 3.42Å
478	A	96.9	Very high	92.6	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.017	18%	0.181	C	C	.	.	H	α-helix	trans	-82.1	-13.1	179.1	0	0	0	0	0	114	V460 F474 F475 V476 G480 T481 M482 I484	V460-A478 HydrophobicContact CG1-CB 4.08Å; V460-A478 HydrophobicContact CG2-CB 4.03Å; F474-A478 WeakPolarHBondContact O-CB 3.36Å; F474-A478 PolarHBondContact O-N 3.3Å; F475-A478 WeakPolarHBondContact O-CB 3.16Å; F475-A478 PolarHBondContact O-N 2.84Å; V476-A478 PolarHBondContact O-N 3.24Å; A478-G480 PolarHBondContact O-N 2.69Å; A478-T481 PolarHBondContact O-N 2.78Å; A478-M482 HydrophobicContact CB-CB 4.22Å; A478-M482 HydrophobicContact CB-CG 4.23Å; A478-M482 HydrophobicContact CB-SD 4.07Å; A478-M482 PolarHBondContact O-N 3.27Å; A478-I484 HydrophobicContact CB-CD1 4.37Å
479	L	95.8	Very high	93.3	Very high	55 Å²	55	27.9 Å²	27.9	29%	0.288	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	134.5	-179.9	-68.6	176	0	0	0	111.2	I412 V414 D444 F475 V476 T481	I412-L479 HydrophobicContact CB-CD2 4.27Å; I412-L479 HydrophobicContact CG2-CD1 3.79Å; I412-L479 HydrophobicContact CG2-CD2 4.44Å; V414-L479 HydrophobicContact CG2-CD1 3.94Å; D444-L479 HydrophobicContact CB-CD2 4.31Å; F475-L479 PolarHBondContact O-N 3.32Å; V476-L479 WeakPolarHBondContact O-CB 3.24Å; V476-L479 WeakPolarHBondContact O-CG 3.41Å; V476-L479 PolarHBondContact O-N 2.78Å; L479-T481 PolarHBondContact O-N 3.26Å; L479-T481 VanDerWaalsContact O-N 3.15Å
480	G	91.8	Very high	94.3	Very high	92 Å²	92	23.1 Å²	23.1	95%	0.948	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.9	-6.8	-176.9	0	0	0	0	0	115.5	A478	A478-G480 PolarHBondContact O-N 2.69Å
481	T	93	Very high	95.3	Very high	52 Å²	52	23.3 Å²	23.3	32%	0.319	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-33.5	-178.1	-58.7	0	0	0	0	113.4	K456 Q459 V460 A478 L479	K456-T481 PolarHBondContact NZ-O 2.77Å; Q459-T481 HydrophobicContact CG-CG2 4.27Å; V460-T481 HydrophobicContact CG2-CG2 4.2Å; A478-T481 PolarHBondContact O-N 2.78Å; L479-T481 PolarHBondContact O-N 3.26Å; L479-T481 VanDerWaalsContact O-N 3.15Å
482	M	95.6	Very high	95.8	Very high	20 Å²	20	22.1 Å²	22.1	10%	0.099	14%	0.144	C	C	.	.			trans	-121.5	141	-178.7	-64.5	-173.8	66.1	0	0	112.1	D392 L393 K456 V460 F474 A478 I484	D392-M482 HydrophobicContact CB-CB 4.24Å; D392-M482 HydrophobicContact CB-CE 3.91Å; D392-M482 HydrophobicContact CB-CG 4.41Å; D392-M482 WeakPolarHBondContact OD2-CA 3.17Å; L393-M482 HydrophobicContact CB-CE 3.62Å; L393-M482 HydrophobicContact CD1-CE 3.96Å; L393-M482 HydrophobicContact CG-CE 4.47Å; K456-M482 HydrophobicContact CB-CE 3.98Å; K456-M482 HydrophobicContact CB-CG 4.34Å; K456-M482 HydrophobicContact CB-SD 4.3Å; V460-M482 HydrophobicContact CB-SD 4.45Å; V460-M482 HydrophobicContact CG2-CG 3.88Å; V460-M482 HydrophobicContact CG2-SD 3.58Å; V460-M482 VanDerWaalsContact CG2-SD 3.58Å; F474-M482 HydrophobicContact CZ-SD 4.16Å; A478-M482 HydrophobicContact CB-CB 4.22Å; A478-M482 HydrophobicContact CB-CG 4.23Å; A478-M482 HydrophobicContact CB-SD 4.07Å; A478-M482 PolarHBondContact O-N 3.27Å; M482-I484 HydrophobicContact CB-CD1 4.27Å; M482-I484 HydrophobicContact CB-CG1 4.09Å
483	H	95.9	Very high	96.1	Very high	54 Å²	54	22.9 Å²	22.9	25%	0.25	15%	0.15	C	C	.	.			trans	-97.2	122.4	167.1	-168.4	-169.8	0	0	0	109.9	T390 L391 D392 L393	T390-H483 PolarHBondContact OG1-CE1 3.27Å; T390-H483 PolarHBondContact OG1-ND1 2.9Å; L391-H483 WeakPolarHBondContact CA-O 3.5Å; L391-H483 HydrophobicContact CD2-CB 4.35Å; D392-H483 PolarHBondContact N-O 3.08Å; D392-H483 PolarHBondContact OD2-N 2.88Å; L393-H483 PolarHBondContact N-O 3.3Å
484	I	98.3	Very high	96	Very high	7 Å²	7	23.1 Å²	23.1	4%	0.036	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.4	-166.3	-62.4	175.1	0	0	0	111.1	L393 A443 D444 V446 F475 A478 M482	L393-I484 HydrophobicContact CB-CG1 4.25Å; L393-I484 HydrophobicContact CD2-CG1 4.49Å; L393-I484 HydrophobicContact CD2-CG2 3.75Å; L393-I484 WeakPolarHBondContact O-CA 3.41Å; A443-I484 PolarHBondContact N-O 3.22Å; A443-I484 VanDerWaalsContact N-O 3.11Å; A443-I484 CarbonylContact O-C 3.52Å; A443-I484 WeakPolarHBondContact O-CB 3.31Å; A443-I484 WeakPolarHBondContact O-CG2 3.49Å; D444-I484 WeakPolarHBondContact O-CD1 3.26Å; V446-I484 HydrophobicContact CG1-CG2 3.92Å; F475-I484 HydrophobicContact CD1-CD1 3.63Å; F475-I484 HydrophobicContact CE1-CD1 4.02Å; A478-I484 HydrophobicContact CB-CD1 4.37Å; M482-I484 HydrophobicContact CB-CD1 4.27Å; M482-I484 HydrophobicContact CB-CG1 4.09Å
485	G	97.8	Very high	95.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	166.7	174.4	0	0	0	0	0	113.1	L393 V394 G395 V441 V446	L393-G485 PolarHBondContact O-N 3.11Å; V394-G485 CarbonylContact C-O 3.58Å; V394-G485 VanDerWaalsContact CA-O 3.28Å; V394-G485 WeakPolarHBondContact CA-O 3.08Å; G395-G485 PolarHBondContact N-O 3.2Å; V441-G485 CarbonylContact O-C 3.44Å; V441-G485 WeakPolarHBondContact O-CA 3.06Å; V446-G485 WeakPolarHBondContact CG1-O 3.46Å
486	S	97.9	Very high	94.6	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.014	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	133.6	177.4	-179.3	0	0	0	0	110.4	G395 C440 V441	G395-S486 CarbonylContact O-C 3.54Å; G395-S486 WeakPolarHBondContact O-CA 3.32Å; C440-S486 CarbonylContact C-O 3.47Å; C440-S486 VanDerWaalsContact CA-O 3.27Å; C440-S486 WeakPolarHBondContact CA-O 3.22Å; V441-S486 PolarHBondContact N-O 3.1Å; V441-S486 PolarHBondContact O-N 3.21Å
487	C	97.3	Very high	93.5	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.007	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.2	178	-59.2	0	0	0	0	110.6	I385 V394 G395 G396 N439 C440 D489	I385-C487 WeakPolarHBondContact CD1-SG 3.16Å; V394-C487 HydrophobicContact CG2-CB 4.47Å; V394-C487 VanDerWaalsContact CG2-SG 3.56Å; G395-C487 PolarHBondContact O-N 3.14Å; G396-C487 CarbonylContact C-O 3.48Å; G396-C487 WeakPolarHBondContact CA-O 3.39Å; N439-C487 WeakPolarHBondContact O-CA 3.4Å; C440-C487 HydrophobicContact CB-CB 4.13Å; C440-C487 WeakPolarHBondContact CB-SG 3.23Å; C440-C487 WeakPolarHBondContact SG-CB 3.36Å; C440-C487 CovalentContact SG-SG 2.03Å; C440-C487 PolarHBondContact SG-SG 2.85Å; C487-D489 VanDerWaalsContact C-N 3.31Å; C487-D489 PolarHBondContact O-N 2.65Å
488	S	96.1	Very high	92.1	Very high	55 Å²	55	35.7 Å²	35.7	39%	0.385	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-11.1	-175.2	56.1	0	0	0	0	114.4	N439	N439-S488 PolarHBondContact O-N 2.83Å; N439-S488 PolarHBondContact O-OG 2.91Å
489	D	94.6	Very high	90.5	Very high	43 Å²	43	39.9 Å²	39.9	23%	0.23	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	1.6	-171.3	63.7	-8.6	0	0	0	114.6	K381 N439 C487	K381-D489 VanDerWaalsContact CE-OD1 3.31Å; K381-D489 WeakPolarHBondContact CE-OD1 3.43Å; K381-D489 VanDerWaalsContact CE-OD2 3.3Å; K381-D489 WeakPolarHBondContact CE-OD2 3.27Å; K381-D489 IonicContact NZ-OD1 2.74Å; K381-D489 PolarHBondContact NZ-OD1 3.47Å; K381-D489 IonicContact NZ-OD2 3.46Å; K381-D489 PolarHBondContact NZ-OD2 2.03Å; N439-D489 HydrophobicContact CB-CB 3.92Å; N439-D489 WeakPolarHBondContact CB-OD2 3.45Å; N439-D489 PolarHBondContact ND2-OD2 2.92Å; C487-D489 VanDerWaalsContact C-N 3.31Å; C487-D489 PolarHBondContact O-N 2.65Å
490	V	96.9	Very high	89.1	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	107.2	163.2	-174.5	0	0	0	0	107.3	K381 M382 G396 A397 F449	K381-V490 HydrophobicContact CB-CG2 4.08Å; K381-V490 HydrophobicContact CD-CG2 3.78Å; K381-V490 HydrophobicContact CG-CG2 3.89Å; M382-V490 HydrophobicContact CG-CB 4.43Å; M382-V490 HydrophobicContact CG-CG1 3.92Å; M382-V490 HydrophobicContact CG-CG2 4.21Å; M382-V490 HydrophobicContact SD-CG1 3.91Å; G396-V490 CarbonylContact C-O 3.55Å; G396-V490 VanDerWaalsContact CA-O 3.29Å; G396-V490 WeakPolarHBondContact CA-O 3.2Å; A397-V490 PolarHBondContact N-O 3.43Å; F449-V490 HydrophobicContact CE1-CG1 4.05Å; F449-V490 HydrophobicContact CZ-CG1 4.23Å
491	I	97.9	Very high	87.6	Confident	17 Å²	17	41.7 Å²	41.7	9%	0.087	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.7	-165.2	-50.6	177.5	0	0	0	110.1	N376 T377 A397 R399 T405	N376-I491 CarbonylContact C-O 3.59Å; N376-I491 HydrophobicContact CB-CB 4.05Å; N376-I491 PolarHBondContact O-N 3.27Å; T377-I491 WeakPolarHBondContact CA-O 3.42Å; T377-I491 PolarHBondContact N-O 2.68Å; T377-I491 PolarHBondContact OG1-O 2.76Å; A397-I491 HydrophobicContact CB-CG1 4.26Å; A397-I491 WeakPolarHBondContact O-CA 3.39Å; R399-I491 HydrophobicContact CB-CG2 3.73Å; T405-I491 HydrophobicContact CG2-CD1 4.36Å; T405-I491 HydrophobicContact CG2-CG2 4.29Å
492	V	97.9	Very high	86.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	143.9	167.7	72.1	0	0	0	0	109.4	F371 I372 F373 T377 A397 V398 R399 F449	F371-V492 HydrophobicContact CB-CG2 3.77Å; F371-V492 HydrophobicContact CD2-CG1 3.89Å; F371-V492 HydrophobicContact CD2-CG2 4.28Å; F371-V492 HydrophobicContact CE2-CG1 4.19Å; F371-V492 HydrophobicContact CG-CG1 4.14Å; F371-V492 HydrophobicContact CG-CG2 4.18Å; I372-V492 WeakPolarHBondContact O-CG2 3.48Å; F373-V492 HydrophobicContact CD2-CG2 3.74Å; F373-V492 HydrophobicContact CE2-CG2 4.03Å; T377-V492 HydrophobicContact CG2-CB 4.33Å; T377-V492 HydrophobicContact CG2-CG2 4.39Å; A397-V492 PolarHBondContact O-N 3.22Å; V398-V492 CarbonylContact C-O 3.44Å; V398-V492 VanDerWaalsContact CA-O 3.32Å; V398-V492 WeakPolarHBondContact CA-O 3.27Å; V398-V492 HydrophobicContact CB-CG1 4.4Å; V398-V492 HydrophobicContact CG1-CG1 4.47Å; V398-V492 HydrophobicContact CG2-CG1 3.81Å; R399-V492 PolarHBondContact N-O 3.26Å; F449-V492 HydrophobicContact CB-CG1 3.95Å; F449-V492 HydrophobicContact CD1-CB 4.09Å; F449-V492 HydrophobicContact CD1-CG1 3.61Å; F449-V492 HydrophobicContact CD2-CB 4.13Å; F449-V492 HydrophobicContact CD2-CG1 3.77Å; F449-V492 HydrophobicContact CE1-CB 3.98Å; F449-V492 HydrophobicContact CE1-CG1 4.03Å; F449-V492 HydrophobicContact CE2-CB 4Å; F449-V492 HydrophobicContact CE2-CG1 4.17Å; F449-V492 HydrophobicContact CE2-CG2 4.49Å; F449-V492 HydrophobicContact CG-CB 4.18Å; F449-V492 HydrophobicContact CG-CG1 3.48Å; F449-V492 VanDerWaalsContact CG-CG1 3.48Å; F449-V492 HydrophobicContact CZ-CB 3.95Å; F449-V492 HydrophobicContact CZ-CG1 4.31Å
493	S	96.7	Very high	85.4	Confident	26 Å²	26	51.1 Å²	51.1	18%	0.182	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	155.4	175.5	-68.8	0	0	0	0	110.6	F371 I372 T374 R399	F371-S493 CarbonylContact C-O 3.57Å; F371-S493 WeakPolarHBondContact CA-O 3.36Å; I372-S493 PolarHBondContact N-O 3.38Å; I372-S493 WeakPolarHBondContact O-CB 3.46Å; I372-S493 PolarHBondContact O-N 3.44Å; T374-S493 WeakPolarHBondContact CG2-OG 3.12Å; R399-S493 CarbonylContact O-C 3.59Å; R399-S493 WeakPolarHBondContact O-CA 3.18Å
494	H	91.9	Very high	84.6	Confident	13 Å²	13	51.6 Å²	51.6	6%	0.06	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.5	174.5	-160.2	-59.4	0	0	0	109.9	D370 F371 V398 R399 E400 V401 K497	D370-H494 IonicContact OD1-CE1 2.58Å; D370-H494 IonicContact OD1-NE2 3.43Å; D370-H494 PolarHBondContact OD1-NE2 3.23Å; D370-H494 IonicContact OD2-CE1 3.8Å; D370-H494 PolarHBondContact OD2-CE1 3.45Å; D370-H494 IonicContact OD2-NE2 3.48Å; F371-H494 AromaticContact CD1-CD2 3.91Å; F371-H494 AromaticContact CE1-CD2 3.63Å; V398-H494 HydrophobicContact CG1-CB 3.87Å; R399-H494 PolarHBondContact O-N 3.11Å; E400-H494 IonicContact OE2-CG 3.52Å; V401-H494 VanDerWaalsContact CG2-O 3.24Å; V401-H494 WeakPolarHBondContact CG2-O 3.48Å; H494-K497 PolarHBondContact CD2-NZ 2.86Å; H494-K497 WeakPolarHBondContact CE1-CE 3.48Å; H494-K497 WeakPolarHBondContact NE2-CE 3.37Å; H494-K497 PolarHBondContact NE2-NZ 2.84Å
495	A	85.9	Confident	83.9	Confident	13 Å²	13	54.4 Å²	54.4	11%	0.107	28%	0.283	C	S	.	.			trans	-61.5	145.8	172	0	0	0	0	0	110.8	K303 D370 I372 K497	K303-A495 HydrophobicContact CD-CB 4.21Å; D370-A495 HydrophobicContact CB-CB 4.27Å; D370-A495 VanDerWaalsContact O-CB 3.28Å; D370-A495 WeakPolarHBondContact O-CB 3.37Å; D370-A495 PolarHBondContact O-N 2.88Å; I372-A495 HydrophobicContact CG1-CB 4.49Å; A495-K497 PolarHBondContact O-N 3.43Å; A495-K497 VanDerWaalsContact O-N 3.12Å
496	S	76.7	Confident	83.3	Confident	47 Å²	47	62.4 Å²	62.4	33%	0.329	32%	0.32	S	S	.	.			trans	-57.6	120	-175.6	-174.5	0	0	0	0	112.3	I498	S496-I498 VanDerWaalsContact C-N 3.3Å; S496-I498 PolarHBondContact OG-N 3.4Å; S496-I498 VanDerWaalsContact OG-N 3.11Å; S496-I498 PolarHBondContact OG-O 3.13Å
497	K	72.9	Confident	82.7	Confident	127 Å²	127	66.1 Å²	66.1	55%	0.552	34%	0.343	S	S	*	.			trans	-80.3	-14.9	165.3	-64.7	172.6	-174.4	146.2	0	112.3	E400 H494 A495 K499	E400-K497 IonicContact OE1-NZ 3.78Å; E400-K497 PolarHBondContact OE1-NZ 2.86Å; E400-K497 IonicContact OE2-NZ 4Å; H494-K497 PolarHBondContact CD2-NZ 2.86Å; H494-K497 WeakPolarHBondContact CE1-CE 3.48Å; H494-K497 WeakPolarHBondContact NE2-CE 3.37Å; H494-K497 PolarHBondContact NE2-NZ 2.84Å; A495-K497 PolarHBondContact O-N 3.43Å; A495-K497 VanDerWaalsContact O-N 3.12Å; K497-K499 PolarHBondContact O-N 3.29Å
498	I	66.3	Low	82.1	Confident	123 Å²	123	67.8 Å²	67.8	63%	0.631	35%	0.35	S	S	*	.			trans	-79.2	105	-178.2	-56	174.4	0	0	0	107.9	T402 S496	T402-I498 HydrophobicContact CG2-CD1 3.92Å; S496-I498 VanDerWaalsContact C-N 3.3Å; S496-I498 PolarHBondContact OG-N 3.4Å; S496-I498 VanDerWaalsContact OG-N 3.11Å; S496-I498 PolarHBondContact OG-O 3.13Å
499	K	62.7	Low	81.6	Confident	90 Å²	90	71 Å²	71	39%	0.391	36%	0.357	S	S	.	.			trans	-134.8	142.3	170.6	-68.8	-164	178.6	-172.3	0	110.7	K497	K497-K499 PolarHBondContact O-N 3.29Å
500	L	67.1	Low	81.3	Confident	96 Å²	96	70.5 Å²	70.5	50%	0.503	36%	0.359	S	S	.	.			trans	-67.5	134.4	175.1	-65.5	167.7	0	0	0	109.4	W502 T503	L500-W502 HydrophobicContact CB-CD2 4.01Å; L500-W502 HydrophobicContact CB-CH2 4.28Å; L500-W502 HydrophobicContact CB-CZ2 3.75Å; L500-W502 HydrophobicContact CD1-CZ2 3.71Å; L500-W502 HydrophobicContact CD2-CH2 3.81Å; L500-W502 HydrophobicContact CD2-CZ2 3.65Å; L500-W502 HydrophobicContact CG-CH2 4.46Å; L500-W502 HydrophobicContact CG-CZ2 3.89Å; L500-W502 PolarHBondContact O-N 3.47Å; L500-T503 HydrophobicContact CB-CG2 4.17Å; L500-T503 PolarHBondContact O-N 2.91Å; L500-T503 PolarHBondContact O-OG1 3.24Å
501	P	60.6	Low	80.9	Confident	88 Å²	88	72.5 Å²	72.5	57%	0.571	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-52.7	-34.4	-172.2	-27	31.7	0	0	0	114.8	T503	P501-T503 VanDerWaalsContact C-N 3.29Å; P501-T503 PolarHBondContact O-N 3.38Å
502	W	67.9	Low	80.3	Confident	198 Å²	198	74.7 Å²	74.7	75%	0.75	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-77.5	-6.5	-179.6	49.9	91.5	0	0	0	114.8	L500	L500-W502 HydrophobicContact CB-CD2 4.01Å; L500-W502 HydrophobicContact CB-CH2 4.28Å; L500-W502 HydrophobicContact CB-CZ2 3.75Å; L500-W502 HydrophobicContact CD1-CZ2 3.71Å; L500-W502 HydrophobicContact CD2-CH2 3.81Å; L500-W502 HydrophobicContact CD2-CZ2 3.65Å; L500-W502 HydrophobicContact CG-CH2 4.46Å; L500-W502 HydrophobicContact CG-CZ2 3.89Å; L500-W502 PolarHBondContact O-N 3.47Å
503	T	74.9	Confident	79.7	Confident	72 Å²	72	80.9 Å²	80.9	44%	0.442	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-97.3	3.4	178.8	62.8	0	0	0	0	113.4	L500 P501 T505	L500-T503 HydrophobicContact CB-CG2 4.17Å; L500-T503 PolarHBondContact O-N 2.91Å; L500-T503 PolarHBondContact O-OG1 3.24Å; P501-T503 VanDerWaalsContact C-N 3.29Å; P501-T503 PolarHBondContact O-N 3.38Å; T503-T505 PolarHBondContact O-N 3.22Å
504	K	77.8	Confident	79.1	Confident	65 Å²	65	82.7 Å²	82.7	28%	0.283	41%	0.411	S	S	.	.			trans	-76.3	121.7	-176.6	-66.2	-173.7	-178.8	-170.8	0	111.8	K509 E512	K504-K509 HydrophobicContact CB-CG 4.26Å; K504-E512 VanDerWaalsContact CE-OE1 3.24Å; K504-E512 WeakPolarHBondContact CE-OE1 3.31Å; K504-E512 IonicContact NZ-OE1 2.72Å; K504-E512 PolarHBondContact NZ-OE1 3.07Å; K504-E512 IonicContact NZ-OE2 2.72Å; K504-E512 PolarHBondContact NZ-OE2 3.23Å
505	T	83.8	Confident	78.7	Confident	66 Å²	66	86.8 Å²	86.8	41%	0.405	43%	0.425	S	S	.	.			trans	-67.7	161.5	170.9	59.6	0	0	0	0	111.7	T503 T507 Q508 K509	T503-T505 PolarHBondContact O-N 3.22Å; T505-T507 VanDerWaalsContact C-N 3.34Å; T505-T507 PolarHBondContact O-N 3.11Å; T505-T507 PolarHBondContact OG1-OG1 3.38Å; T505-Q508 PolarHBondContact O-N 2.84Å; T505-Q508 WeakPolarHBondContact OG1-CB 3.37Å; T505-Q508 VanDerWaalsContact OG1-CG 3.27Å; T505-Q508 WeakPolarHBondContact OG1-CG 3.44Å; T505-Q508 PolarHBondContact OG1-N 3.35Å; T505-Q508 PolarHBondContact OG1-OE1 3.35Å; T505-K509 WeakPolarHBondContact O-CG 3.4Å; T505-K509 PolarHBondContact O-N 2.74Å
506	E	85.1	Confident	78.4	Confident	168 Å²	168	94.2 Å²	94.2	79%	0.785	45%	0.452	S	S	*	.	H	α-helix	trans	-62.1	-39.3	178.2	-65.6	-175.3	164.1	0	0	112.8	Q508 K509 A510	E506-Q508 VanDerWaalsContact C-N 3.32Å; E506-Q508 PolarHBondContact O-N 2.67Å; E506-K509 PolarHBondContact O-N 3.45Å; E506-A510 PolarHBondContact O-N 2.76Å
507	T	85.3	Confident	77.9	Confident	80 Å²	80	95.3 Å²	95.3	49%	0.491	46%	0.459	S	S	.	.	H	α-helix	trans	-62.5	-38.7	175.9	49.3	0	0	0	0	112	T505 A510 Y511	T505-T507 VanDerWaalsContact C-N 3.34Å; T505-T507 PolarHBondContact O-N 3.11Å; T505-T507 PolarHBondContact OG1-OG1 3.38Å; T507-A510 PolarHBondContact O-N 3.01Å; T507-Y511 WeakPolarHBondContact O-CB 3.41Å; T507-Y511 PolarHBondContact O-N 2.89Å
508	Q	85.1	Confident	77	Confident	36 Å²	36	95.1 Å²	95.1	17%	0.168	47%	0.474	C	S	.	.	H	α-helix	trans	-66.5	-42	174.3	-76.8	159.6	-11.3	0	0	111.9	T505 E506 A510 Y511 E512	T505-Q508 PolarHBondContact O-N 2.84Å; T505-Q508 WeakPolarHBondContact OG1-CB 3.37Å; T505-Q508 VanDerWaalsContact OG1-CG 3.27Å; T505-Q508 WeakPolarHBondContact OG1-CG 3.44Å; T505-Q508 PolarHBondContact OG1-N 3.35Å; T505-Q508 PolarHBondContact OG1-OE1 3.35Å; E506-Q508 VanDerWaalsContact C-N 3.32Å; E506-Q508 PolarHBondContact O-N 2.67Å; Q508-A510 VanDerWaalsContact C-N 3.32Å; Q508-A510 PolarHBondContact O-N 2.8Å; Q508-Y511 PolarHBondContact O-N 2.81Å; Q508-E512 WeakPolarHBondContact O-CB 3.42Å; Q508-E512 WeakPolarHBondContact O-CG 3.19Å; Q508-E512 PolarHBondContact O-N 2.72Å
509	K	86.3	Confident	76.2	Confident	121 Å²	121	91.3 Å²	91.3	53%	0.526	47%	0.465	S	S	.	.	H	α-helix	trans	-61	-42.7	174.5	-68.1	175.2	-175.2	174.7	0	111.1	K504 T505 E506 E512 Q513	K504-K509 HydrophobicContact CB-CG 4.26Å; T505-K509 WeakPolarHBondContact O-CG 3.4Å; T505-K509 PolarHBondContact O-N 2.74Å; E506-K509 PolarHBondContact O-N 3.45Å; K509-E512 PolarHBondContact O-N 2.72Å; K509-Q513 WeakPolarHBondContact O-CB 3.21Å; K509-Q513 PolarHBondContact O-N 2.94Å
510	A	87.4	Confident	75.5	Confident	33 Å²	33	92.7 Å²	92.7	27%	0.273	49%	0.486	S	S	.	.	H	α-helix	trans	-63.2	-44.8	175.2	0	0	0	0	0	111.9	L299 E506 T507 Q508 Q513 F514	L299-A510 HydrophobicContact CD1-CB 4.03Å; E506-A510 PolarHBondContact O-N 2.76Å; T507-A510 PolarHBondContact O-N 3.01Å; Q508-A510 VanDerWaalsContact C-N 3.32Å; Q508-A510 PolarHBondContact O-N 2.8Å; A510-Q513 WeakPolarHBondContact O-CB 3.49Å; A510-Q513 PolarHBondContact O-N 3.31Å; A510-F514 VanDerWaalsContact O-CD2 3.31Å; A510-F514 WeakPolarHBondContact O-CD2 3.32Å; A510-F514 PolarHBondContact O-N 3.31Å
511	Y	88	Confident	74.7	Confident	44 Å²	44	93.9 Å²	93.9	17%	0.173	50%	0.497	C	S	.	.	H	α-helix	trans	-58.3	-49	174.6	172.7	-94.2	0	0	0	112	F298 R300 T507 Q508 Q513 F514 R515	F298-Y511 HydrophobicContact CD1-CD2 4.08Å; F298-Y511 VanDerWaalsContact O-CD2 3.28Å; F298-Y511 WeakPolarHBondContact O-CD2 3.25Å; R300-Y511 HydrophobicContact CG-CD2 3.85Å; R300-Y511 HydrophobicContact CG-CE2 4.03Å; R300-Y511 HydrophobicContact CG-CG 4.19Å; R300-Y511 PolarHBondContact NH1-OH 3.1Å; R300-Y511 PolarHBondContact NH2-OH 2.92Å; T507-Y511 WeakPolarHBondContact O-CB 3.41Å; T507-Y511 PolarHBondContact O-N 2.89Å; Q508-Y511 PolarHBondContact O-N 2.81Å; Y511-Q513 VanDerWaalsContact C-N 3.29Å; Y511-Q513 PolarHBondContact O-N 2.69Å; Y511-F514 PolarHBondContact O-N 3.2Å; Y511-F514 VanDerWaalsContact O-N 3.13Å; Y511-R515 HydrophobicContact CE1-CB 4.18Å; Y511-R515 HydrophobicContact CE1-CG 4.39Å; Y511-R515 WeakPolarHBondContact O-CB 3.3Å; Y511-R515 PolarHBondContact O-N 3.45Å
512	E	86.4	Confident	74.6	Confident	62 Å²	62	91.8 Å²	91.8	29%	0.29	49%	0.492	S	S	.	.	H	α-helix	trans	-61	-40	178.6	-75.2	178.1	178	0	0	111.7	K504 Q508 K509 R515 Y516	K504-E512 VanDerWaalsContact CE-OE1 3.24Å; K504-E512 WeakPolarHBondContact CE-OE1 3.31Å; K504-E512 IonicContact NZ-OE1 2.72Å; K504-E512 PolarHBondContact NZ-OE1 3.07Å; K504-E512 IonicContact NZ-OE2 2.72Å; K504-E512 PolarHBondContact NZ-OE2 3.23Å; Q508-E512 WeakPolarHBondContact O-CB 3.42Å; Q508-E512 WeakPolarHBondContact O-CG 3.19Å; Q508-E512 PolarHBondContact O-N 2.72Å; K509-E512 PolarHBondContact O-N 2.72Å; E512-R515 PolarHBondContact O-N 2.75Å; E512-Y516 HydrophobicContact CB-CD2 4.15Å; E512-Y516 HydrophobicContact CB-CE2 4.43Å; E512-Y516 HydrophobicContact CG-CD2 4.48Å; E512-Y516 HydrophobicContact CG-CE2 4.27Å; E512-Y516 WeakPolarHBondContact O-CB 3.24Å; E512-Y516 VanDerWaalsContact O-CD2 3.27Å; E512-Y516 WeakPolarHBondContact O-CD2 3.37Å; E512-Y516 PolarHBondContact O-N 2.71Å
513	Q	85.9	Confident	74.5	Confident	130 Å²	130	84.3 Å²	84.3	61%	0.607	47%	0.468	S	S	*	.	H	α-helix	trans	-56.1	-55.4	171.9	-171.2	178	4.1	0	0	109.5	K509 A510 Y511 R515 Y516 S517	K509-Q513 WeakPolarHBondContact O-CB 3.21Å; K509-Q513 PolarHBondContact O-N 2.94Å; A510-Q513 WeakPolarHBondContact O-CB 3.49Å; A510-Q513 PolarHBondContact O-N 3.31Å; Y511-Q513 VanDerWaalsContact C-N 3.29Å; Y511-Q513 PolarHBondContact O-N 2.69Å; Q513-R515 VanDerWaalsContact C-N 3.27Å; Q513-R515 PolarHBondContact O-N 3.14Å; Q513-Y516 PolarHBondContact O-N 3.03Å; Q513-S517 WeakPolarHBondContact O-CA 3.41Å; Q513-S517 WeakPolarHBondContact O-CB 3.27Å; Q513-S517 PolarHBondContact O-N 2.89Å; Q513-S517 PolarHBondContact O-OG 2.85Å
514	F	83.8	Confident	74.6	Confident	65 Å²	65	83.9 Å²	83.9	29%	0.285	47%	0.468	S	S	.	.	H	α-helix	trans	-61.1	-30.9	178	-85.4	-79.4	0	0	0	114.9	F298 L299 F344 R468 A510 Y511	F298-F514 HydrophobicContact CD1-CB 4.5Å; F298-F514 HydrophobicContact CE1-CB 3.64Å; F298-F514 HydrophobicContact CE1-CD1 4.19Å; F298-F514 AromaticContact CE1-CD2 3.62Å; F298-F514 HydrophobicContact CE1-CD2 3.62Å; F298-F514 HydrophobicContact CE1-CE2 4.34Å; F298-F514 AromaticContact CE1-CG 3.54Å; F298-F514 HydrophobicContact CE1-CG 3.54Å; F298-F514 HydrophobicContact CZ-CB 4.37Å; F298-F514 HydrophobicContact CZ-CD1 4.09Å; F298-F514 AromaticContact CZ-CD2 3.72Å; F298-F514 HydrophobicContact CZ-CD2 3.72Å; F298-F514 HydrophobicContact CZ-CE1 4.3Å; F298-F514 AromaticContact CZ-CE2 3.99Å; F298-F514 HydrophobicContact CZ-CE2 3.99Å; F298-F514 AromaticContact CZ-CG 3.79Å; F298-F514 HydrophobicContact CZ-CG 3.79Å; F298-F514 HydrophobicContact CZ-CZ 4.27Å; L299-F514 HydrophobicContact CD1-CD2 4.33Å; F344-F514 HydrophobicContact CE1-CZ 4.05Å; F344-F514 HydrophobicContact CE2-CZ 4.35Å; F344-F514 HydrophobicContact CZ-CE1 4.25Å; F344-F514 HydrophobicContact CZ-CE2 4.03Å; F344-F514 AromaticContact CZ-CZ 3.49Å; F344-F514 HydrophobicContact CZ-CZ 3.49Å; F344-F514 VanDerWaalsContact CZ-CZ 3.49Å; R468-F514 WeakPolarHBondContact CD-O 3.2Å; R468-F514 PolarHBondContact NE-O 2.91Å; A510-F514 VanDerWaalsContact O-CD2 3.31Å; A510-F514 WeakPolarHBondContact O-CD2 3.32Å; A510-F514 PolarHBondContact O-N 3.31Å; Y511-F514 PolarHBondContact O-N 3.2Å; Y511-F514 VanDerWaalsContact O-N 3.13Å
515	R	82.1	Confident	74.9	Confident	99 Å²	99	84.8 Å²	84.8	37%	0.374	47%	0.47	S	S	.	.	H	α-helix	trans	-77.8	-35.1	-177.6	-179.2	61	-175.2	88.3	-5.5	113	Y511 E512 Q513	Y511-R515 HydrophobicContact CE1-CB 4.18Å; Y511-R515 HydrophobicContact CE1-CG 4.39Å; Y511-R515 WeakPolarHBondContact O-CB 3.3Å; Y511-R515 PolarHBondContact O-N 3.45Å; E512-R515 PolarHBondContact O-N 2.75Å; Q513-R515 VanDerWaalsContact C-N 3.27Å; Q513-R515 PolarHBondContact O-N 3.14Å
516	Y	80	Confident	75	Confident	168 Å²	168	86.9 Å²	86.9	66%	0.659	48%	0.479	S	S	*	.	H	α-helix	trans	-118.2	-14.7	-170.8	-59.5	-64	0	0	0	114.4	E512 Q513 S518	E512-Y516 HydrophobicContact CB-CD2 4.15Å; E512-Y516 HydrophobicContact CB-CE2 4.43Å; E512-Y516 HydrophobicContact CG-CD2 4.48Å; E512-Y516 HydrophobicContact CG-CE2 4.27Å; E512-Y516 WeakPolarHBondContact O-CB 3.24Å; E512-Y516 VanDerWaalsContact O-CD2 3.27Å; E512-Y516 WeakPolarHBondContact O-CD2 3.37Å; E512-Y516 PolarHBondContact O-N 2.71Å; Q513-Y516 PolarHBondContact O-N 3.03Å; Y516-S518 PolarHBondContact O-N 2.96Å; Y516-S518 VanDerWaalsContact O-N 3.14Å
517	S	66.6	Low	75.3	Confident	70 Å²	70	82.9 Å²	82.9	49%	0.49	46%	0.46	S	S	.	.			trans	-67.6	115.8	177.8	65.9	0	0	0	0	110	Q513 G519	Q513-S517 WeakPolarHBondContact O-CA 3.41Å; Q513-S517 WeakPolarHBondContact O-CB 3.27Å; Q513-S517 PolarHBondContact O-N 2.89Å; Q513-S517 PolarHBondContact O-OG 2.85Å; S517-G519 PolarHBondContact O-N 3.4Å
518	S	53.6	Low	75.5	Confident	124 Å²	124	79.1 Å²	79.1	87%	0.867	44%	0.437	S	S	*	.			trans	-74.8	23.8	-178.9	53.1	0	0	0	0	114.3	Y516 S520	Y516-S518 PolarHBondContact O-N 2.96Å; Y516-S518 VanDerWaalsContact O-N 3.14Å; S518-S520 PolarHBondContact O-N 3.41Å
519	G	49.6	Very low	75.8	Confident	42 Å²	42	77.9 Å²	77.9	43%	0.433	43%	0.431	S	S	.	.			trans	-74.3	89.5	-179.2	0	0	0	0	0	111.4	S517 T521	S517-G519 PolarHBondContact O-N 3.4Å; G519-T521 WeakPolarHBondContact O-CB 3.49Å; G519-T521 WeakPolarHBondContact O-CG2 3.45Å; G519-T521 PolarHBondContact O-N 2.88Å; G519-T521 PolarHBondContact O-OG1 3.38Å
520	S	49	Very low	76.2	Confident	119 Å²	119	77.7 Å²	77.7	83%	0.832	43%	0.427	S	S	*	.	S	Bend	trans	26.1	33.1	145.3	72.7	0	0	0	0	120.3	S518	S518-S520 PolarHBondContact O-N 3.41Å
521	T	50.4	Low	76.5	Confident	121 Å²	121	83.3 Å²	83.3	74%	0.742	45%	0.446	S	S	*	.			trans	-116.3	11.5	-175.9	49.5	0	0	0	0	112.5	G519	G519-T521 WeakPolarHBondContact O-CB 3.49Å; G519-T521 WeakPolarHBondContact O-CG2 3.45Å; G519-T521 PolarHBondContact O-N 2.88Å; G519-T521 PolarHBondContact O-OG1 3.38Å
522	G	58.1	Low	76.7	Confident	44 Å²	44	85.1 Å²	85.1	45%	0.454	46%	0.455	S	S	.	.	S	Bend	trans	-132.7	149.1	175.2	0	0	0	0	0	111.1
523	V	66.2	Low	77.1	Confident	41 Å²	41	83.7 Å²	83.7	25%	0.248	45%	0.449	C	S	.	.			trans	-59.1	137.4	170.4	173.1	0	0	0	0	109	R465 E527 I528	R465-V523 HydrophobicContact CB-CB 4.22Å; R465-V523 HydrophobicContact CB-CG2 3.89Å; R465-V523 HydrophobicContact CG-CG2 4.33Å; V523-E527 HydrophobicContact CG1-CB 3.77Å; V523-E527 HydrophobicContact CG1-CG 3.97Å; V523-E527 WeakPolarHBondContact CG1-OE1 3.44Å; V523-E527 WeakPolarHBondContact CG1-OE2 2.97Å; V523-I528 HydrophobicContact CB-CG1 4.4Å; V523-I528 HydrophobicContact CG1-CD1 4.22Å; V523-I528 HydrophobicContact CG1-CG1 3.62Å
524	S	76.6	Confident	77.5	Confident	64 Å²	64	82.6 Å²	82.6	45%	0.448	44%	0.439	S	S	.	.			trans	-61.9	138.5	176.8	176.9	0	0	0	0	110.2	N526 E527 I528	S524-N526 PolarHBondContact O-N 3.41Å; S524-N526 VanDerWaalsContact O-N 3.11Å; S524-N526 PolarHBondContact OG-N 2.94Å; S524-E527 WeakPolarHBondContact O-CB 3.39Å; S524-E527 PolarHBondContact O-N 2.8Å; S524-I528 PolarHBondContact O-N 3.5Å
525	R	82.7	Confident	78.2	Confident	84 Å²	84	80.4 Å²	80.4	32%	0.317	43%	0.43	S	S	.	.	H	α-helix	trans	-50.9	-37.2	173	-170.9	-177.4	-169.2	-159.4	-6.1	111.5	E473 I528 F529	E473-R525 IonicContact OE1-CZ 3.39Å; E473-R525 IonicContact OE1-NE 2.71Å; E473-R525 PolarHBondContact OE1-NE 2.79Å; E473-R525 IonicContact OE1-NH2 3.51Å; E473-R525 PolarHBondContact OE1-NH2 2.92Å; R525-I528 PolarHBondContact O-N 3.05Å; R525-F529 HydrophobicContact CG-CD2 3.98Å; R525-F529 HydrophobicContact CG-CE2 3.63Å; R525-F529 HydrophobicContact CG-CZ 4.18Å; R525-F529 VanDerWaalsContact NE-CE2 3.29Å; R525-F529 PolarHBondContact O-N 2.88Å
526	N	87.7	Confident	78.8	Confident	110 Å²	110	80.8 Å²	80.8	59%	0.588	43%	0.434	S	S	*	.	H	α-helix	trans	-65.7	-37	177.1	-65.8	-7.7	0	0	0	112.3	S524 Y530	S524-N526 PolarHBondContact O-N 3.41Å; S524-N526 VanDerWaalsContact O-N 3.11Å; S524-N526 PolarHBondContact OG-N 2.94Å; N526-Y530 WeakPolarHBondContact O-CB 3.28Å; N526-Y530 PolarHBondContact O-N 3.47Å
527	E	89.8	Confident	79.6	Confident	84 Å²	84	75.4 Å²	75.4	39%	0.393	42%	0.421	S	S	.	.	H	α-helix	trans	-67	-40.7	177.4	-174	-165.3	132.6	0	0	110.9	V523 S524 F531	V523-E527 HydrophobicContact CG1-CB 3.77Å; V523-E527 HydrophobicContact CG1-CG 3.97Å; V523-E527 WeakPolarHBondContact CG1-OE1 3.44Å; V523-E527 WeakPolarHBondContact CG1-OE2 2.97Å; S524-E527 WeakPolarHBondContact O-CB 3.39Å; S524-E527 PolarHBondContact O-N 2.8Å; E527-F531 HydrophobicContact CG-CD2 3.69Å; E527-F531 HydrophobicContact CG-CE2 4.3Å; E527-F531 WeakPolarHBondContact O-CB 3.43Å; E527-F531 PolarHBondContact O-N 3.45Å
528	I	89.8	Confident	80.9	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.005	41%	0.414	C	S	.	.	I	π-helix	trans	-61.7	-54.4	176.3	-62.3	-178.5	0	0	0	109.7	L466 V523 S524 R525 Y530 K532 N533	L466-I528 HydrophobicContact CD1-CD1 3.98Å; L466-I528 HydrophobicContact CD2-CD1 3.3Å; L466-I528 HydrophobicContact CG-CD1 3.51Å; V523-I528 HydrophobicContact CB-CG1 4.4Å; V523-I528 HydrophobicContact CG1-CD1 4.22Å; V523-I528 HydrophobicContact CG1-CG1 3.62Å; S524-I528 PolarHBondContact O-N 3.5Å; R525-I528 PolarHBondContact O-N 3.05Å; I528-Y530 PolarHBondContact O-N 3.38Å; I528-K532 HydrophobicContact CG2-CB 4.43Å; I528-K532 HydrophobicContact CG2-CD 3.97Å; I528-K532 WeakPolarHBondContact O-CA 3.24Å; I528-K532 VanDerWaalsContact O-CB 3.24Å; I528-K532 WeakPolarHBondContact O-CB 3.22Å; I528-K532 PolarHBondContact O-N 3.2Å; I528-N533 PolarHBondContact O-N 2.98Å; I528-N533 VanDerWaalsContact O-N 3.09Å; I528-N533 PolarHBondContact O-OD1 3.28Å
529	F	92.7	Very high	82.8	Confident	9 Å²	9	72.1 Å²	72.1	4%	0.039	39%	0.388	C	S	.	.	I	π-helix	trans	-63.2	-41.7	-179.3	-69.7	-23.4	0	0	0	112.6	L424 E473 V476 R525 N533 R534 F535 M538	L424-F529 HydrophobicContact CD2-CE1 4.41Å; L424-F529 HydrophobicContact CD2-CE2 4.31Å; L424-F529 HydrophobicContact CD2-CZ 4.23Å; E473-F529 HydrophobicContact CG-CE1 3.94Å; E473-F529 HydrophobicContact CG-CZ 3.92Å; V476-F529 HydrophobicContact CG1-CE1 4.34Å; V476-F529 HydrophobicContact CG2-CE1 4.39Å; R525-F529 HydrophobicContact CG-CD2 3.98Å; R525-F529 HydrophobicContact CG-CE2 3.63Å; R525-F529 HydrophobicContact CG-CZ 4.18Å; R525-F529 VanDerWaalsContact NE-CE2 3.29Å; R525-F529 PolarHBondContact O-N 2.88Å; F529-N533 CarbonylContact O-C 3.56Å; F529-R534 PolarHBondContact O-N 3.48Å; F529-F535 HydrophobicContact CB-CB 4.38Å; F529-F535 HydrophobicContact CB-CD2 3.96Å; F529-F535 HydrophobicContact CD1-CD2 4.17Å; F529-F535 HydrophobicContact CD1-CE2 4.41Å; F529-F535 HydrophobicContact CG-CD2 4.22Å; F529-F535 WeakPolarHBondContact O-CB 3.48Å; F529-F535 PolarHBondContact O-N 2.88Å; F529-M538 HydrophobicContact CD2-SD 3.77Å; F529-M538 HydrophobicContact CE2-CE 4.49Å; F529-M538 HydrophobicContact CE2-SD 3.49Å; F529-M538 WeakPolarHBondContact CE2-SD 3.4Å
530	Y	94.2	Very high	84.7	Confident	117 Å²	117	73.1 Å²	73.1	46%	0.459	39%	0.389	S	S	.	.	I	π-helix	trans	-70.3	-53.2	-179.7	-176.7	-97.8	0	0	0	113.3	N526 I528 R534 F535	N526-Y530 WeakPolarHBondContact O-CB 3.28Å; N526-Y530 PolarHBondContact O-N 3.47Å; I528-Y530 PolarHBondContact O-N 3.38Å; Y530-R534 VanDerWaalsContact O-CA 3.22Å; Y530-R534 WeakPolarHBondContact O-CA 3.28Å; Y530-R534 PolarHBondContact O-N 2.8Å; Y530-F535 VanDerWaalsContact CA-O 3.31Å; Y530-F535 WeakPolarHBondContact CA-O 3.32Å; Y530-F535 WeakPolarHBondContact CD2-O 3.38Å
531	F	92.8	Very high	86	Confident	151 Å²	151	75.1 Å²	75.1	66%	0.662	39%	0.385	S	S	*	.	I	π-helix	trans	-87.5	-49.1	-174.1	-75.3	-74.3	0	0	0	113.5	E527	E527-F531 HydrophobicContact CG-CD2 3.69Å; E527-F531 HydrophobicContact CG-CE2 4.3Å; E527-F531 WeakPolarHBondContact O-CB 3.43Å; E527-F531 PolarHBondContact O-N 3.45Å
532	K	92.6	Very high	87.8	Confident	83 Å²	83	72.9 Å²	72.9	36%	0.361	37%	0.367	S	S	.	.	I	π-helix	trans	-73.8	-48	-176.2	172.7	-166.6	170.2	-170.9	0	110.8	D463 D477 I528	D463-K532 IonicContact OD2-NZ 3.96Å; D463-K532 PolarHBondContact OD2-NZ 3.33Å; D463-K532 VanDerWaalsContact OD2-NZ 3.11Å; D477-K532 VanDerWaalsContact CG-NZ 3.28Å; D477-K532 WeakPolarHBondContact OD1-CE 3.37Å; D477-K532 IonicContact OD1-NZ 2.8Å; D477-K532 PolarHBondContact OD1-NZ 2.92Å; D477-K532 IonicContact OD2-NZ 3Å; D477-K532 PolarHBondContact OD2-NZ 3.38Å; I528-K532 HydrophobicContact CG2-CB 4.43Å; I528-K532 HydrophobicContact CG2-CD 3.97Å; I528-K532 WeakPolarHBondContact O-CA 3.24Å; I528-K532 VanDerWaalsContact O-CB 3.24Å; I528-K532 WeakPolarHBondContact O-CB 3.22Å; I528-K532 PolarHBondContact O-N 3.2Å
533	N	94.3	Very high	89.4	Confident	31 Å²	31	74.4 Å²	74.4	17%	0.166	36%	0.363	C	S	.	.	S	Bend	trans	-95.2	-0.8	-175.4	-55.5	101.8	0	0	0	113.6	D477 I528 F529 F535	D477-N533 PolarHBondContact OD1-ND2 3.42Å; I528-N533 PolarHBondContact O-N 2.98Å; I528-N533 VanDerWaalsContact O-N 3.09Å; I528-N533 PolarHBondContact O-OD1 3.28Å; F529-N533 CarbonylContact O-C 3.56Å; N533-F535 VanDerWaalsContact C-N 3.27Å; N533-F535 HydrophobicContact CB-CD2 3.49Å; N533-F535 VanDerWaalsContact CB-CD2 3.49Å; N533-F535 HydrophobicContact CB-CE1 4.5Å; N533-F535 HydrophobicContact CB-CE2 3.28Å; N533-F535 HydrophobicContact CB-CG 4.21Å; N533-F535 HydrophobicContact CB-CZ 3.84Å; N533-F535 PolarHBondContact O-N 3.04Å
534	R	95.8	Very high	90.7	Very high	108 Å²	108	76.2 Å²	76.2	41%	0.408	37%	0.369	S	S	.	.			trans	56.7	36.8	178.7	-159.1	-170.5	163.1	-94.8	-6.1	113.3	G418 N419 G421 D422 F529 Y530	G418-R534 PolarHBondContact O-NH2 3.02Å; N419-R534 PolarHBondContact O-NH2 2.86Å; G421-R534 CarbonylContact C-O 3.47Å; G421-R534 WeakPolarHBondContact CA-O 3.31Å; D422-R534 PolarHBondContact N-O 3Å; D422-R534 IonicContact OD1-NH1 3.13Å; D422-R534 PolarHBondContact OD1-NH1 3.41Å; D422-R534 IonicContact OD2-NH1 2.83Å; F529-R534 PolarHBondContact O-N 3.48Å; Y530-R534 VanDerWaalsContact O-CA 3.22Å; Y530-R534 WeakPolarHBondContact O-CA 3.28Å; Y530-R534 PolarHBondContact O-N 2.8Å
535	F	97	Very high	91.5	Very high	19 Å²	19	76.9 Å²	76.9	8%	0.083	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129	175.9	-59.1	-43.3	0	0	0	112.1	V414 D422 L424 V476 F529 Y530 N533	V414-F535 HydrophobicContact CB-CE1 4.49Å; V414-F535 HydrophobicContact CG1-CE1 3.73Å; V414-F535 HydrophobicContact CG2-CE1 3.88Å; V414-F535 HydrophobicContact CG2-CZ 3.91Å; D422-F535 HydrophobicContact CB-CD1 3.94Å; D422-F535 HydrophobicContact CB-CE1 4.24Å; D422-F535 CarbonylContact O-C 3.55Å; D422-F535 VanDerWaalsContact O-CA 3.24Å; D422-F535 WeakPolarHBondContact O-CA 3.31Å; L424-F535 HydrophobicContact CB-CD1 4.43Å; L424-F535 HydrophobicContact CB-CD2 4.09Å; L424-F535 HydrophobicContact CB-CE2 4.21Å; L424-F535 HydrophobicContact CB-CG 4.22Å; L424-F535 HydrophobicContact CB-CZ 4.47Å; L424-F535 HydrophobicContact CD1-CE2 4.26Å; L424-F535 HydrophobicContact CD1-CZ 4.26Å; L424-F535 HydrophobicContact CD2-CD2 4.18Å; L424-F535 HydrophobicContact CD2-CE2 4.01Å; L424-F535 HydrophobicContact CG-CE2 4.4Å; V476-F535 HydrophobicContact CG1-CE2 3.68Å; V476-F535 HydrophobicContact CG1-CZ 4.11Å; F529-F535 HydrophobicContact CB-CB 4.38Å; F529-F535 HydrophobicContact CB-CD2 3.96Å; F529-F535 HydrophobicContact CD1-CD2 4.17Å; F529-F535 HydrophobicContact CD1-CE2 4.41Å; F529-F535 HydrophobicContact CG-CD2 4.22Å; F529-F535 WeakPolarHBondContact O-CB 3.48Å; F529-F535 PolarHBondContact O-N 2.88Å; Y530-F535 VanDerWaalsContact CA-O 3.31Å; Y530-F535 WeakPolarHBondContact CA-O 3.32Å; Y530-F535 WeakPolarHBondContact CD2-O 3.38Å; N533-F535 VanDerWaalsContact C-N 3.27Å; N533-F535 HydrophobicContact CB-CD2 3.49Å; N533-F535 VanDerWaalsContact CB-CD2 3.49Å; N533-F535 HydrophobicContact CB-CE1 4.5Å; N533-F535 HydrophobicContact CB-CE2 3.28Å; N533-F535 HydrophobicContact CB-CG 4.21Å; N533-F535 HydrophobicContact CB-CZ 3.84Å; N533-F535 PolarHBondContact O-N 3.04Å
536	K	96.2	Very high	92	Very high	106 Å²	106	76.5 Å²	76.5	46%	0.461	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-20.9	172.8	70.2	-179.2	176	-172.2	0	113.3	E420 G421 D422	E420-K536 HydrophobicContact CB-CD 3.93Å; G421-K536 WeakPolarHBondContact O-CD 3.25Å; G421-K536 WeakPolarHBondContact O-CE 3.4Å; G421-K536 WeakPolarHBondContact O-CG 3.31Å; D422-K536 PolarHBondContact O-N 2.96Å
537	C	95	Very high	92.3	Very high	56 Å²	56	74.3 Å²	74.3	38%	0.378	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	156.8	-178.9	93.1	0	0	0	0	112.5	C423 L424	C423-C537 WeakPolarHBondContact CA-O 2.99Å; C423-C537 HydrophobicContact CB-CB 4.38Å; C423-C537 WeakPolarHBondContact CB-SG 3.49Å; C423-C537 WeakPolarHBondContact SG-CB 3.4Å; C423-C537 CovalentContact SG-SG 2.03Å; C423-C537 PolarHBondContact SG-SG 3.07Å; L424-C537 PolarHBondContact N-O 3.1Å
538	M	94.9	Very high	92.5	Very high	71 Å²	71	73.6 Å²	73.6	35%	0.35	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	137.3	178.7	-178.9	-177.1	68.4	0	0	110.5	L424 M426 F529	L424-M538 HydrophobicContact CB-CB 4.44Å; L424-M538 HydrophobicContact CB-CG 4.28Å; L424-M538 HydrophobicContact CD2-CG 4.16Å; L424-M538 HydrophobicContact CD2-SD 4.17Å; L424-M538 HydrophobicContact CG-CG 4.37Å; L424-M538 CarbonylContact O-C 3.59Å; L424-M538 WeakPolarHBondContact O-CA 3.31Å; M426-M538 HydrophobicContact CE-CG 3.87Å; M426-M538 HydrophobicContact CE-SD 3.32Å; M426-M538 WeakPolarHBondContact CE-SD 3.32Å; F529-M538 HydrophobicContact CD2-SD 3.77Å; F529-M538 HydrophobicContact CE2-CE 4.49Å; F529-M538 HydrophobicContact CE2-SD 3.49Å; F529-M538 WeakPolarHBondContact CE2-SD 3.4Å
539	T	94.3	Very high	92.7	Very high	53 Å²	53	79.2 Å²	79.2	33%	0.325	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.8	165.2	72.3	0	0	0	0	109.6	L424 N425 M426 R427	L424-T539 PolarHBondContact O-N 2.96Å; N425-T539 PolarHBondContact OD1-OG1 2.95Å; M426-T539 PolarHBondContact N-O 3.32Å; R427-T539 VanDerWaalsContact CZ-OG1 3.3Å; R427-T539 PolarHBondContact NH1-O 3.24Å; R427-T539 PolarHBondContact NH1-OG1 3.11Å; R427-T539 PolarHBondContact NH2-OG1 3.38Å
540	S	89.1	Confident	92.7	Very high	63 Å²	63	85 Å²	85	44%	0.441	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	139.3	-179.7	-166.9	0	0	0	0	109.4	M426	M426-S540 WeakPolarHBondContact O-CA 3.09Å
541	Q	76.8	Confident	92.6	Very high	162 Å²	162	82.1 Å²	82.1	76%	0.757	40%	0.399	S	S	*	.			trans	-103.5	0	168.9	-175.2	175.1	10	0	0	110.6	M426	M426-Q541 PolarHBondContact O-N 3.38Å

Retrieved 541 of 541 residues in 738.5 ms (Link to these results)

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