A0A2K6BKJ1_MACNE Loading...

Zinc finger protein 436

AlphaFold DB , UniProt , Accession A0A2K6BKJ1, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene ZNF436, Length 469 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.6	Very low	31.4	Very low	248 Å²	248	138.6 Å²	138.6	100%	1.222	85%	0.85	S	S	*	*				0	119	0	-68.7	-178.3	-169.9	0	0	106.8
2	A	27.8	Very low	32.4	Very low	102 Å²	102	134.1 Å²	134.1	84%	0.843	84%	0.837	S	S	*	*			trans	-67.9	135.8	-174.4	0	0	0	0	0	111.1
3	A	26.6	Very low	34.2	Very low	102 Å²	102	131.5 Å²	131.5	84%	0.843	82%	0.823	S	S	*	*			trans	-95.9	109.5	166.2	0	0	0	0	0	108
4	T	28.3	Very low	35.3	Very low	126 Å²	126	128.3 Å²	128.3	77%	0.773	80%	0.801	S	S	*	*			trans	-64.8	126.2	179.2	-49.5	0	0	0	0	110.8	L6	T4-L6 PolarHBondContact O-N 3.35Å
5	L	32.2	Very low	36.8	Very low	134 Å²	134	123.7 Å²	123.7	70%	0.702	77%	0.772	S	S	*	*			trans	-62.4	125.5	163.3	-102	99.2	0	0	0	109.6	M7	L5-M7 HydrophobicContact CD2-CE 3.81Å; L5-M7 HydrophobicContact CD2-CG 4.29Å; L5-M7 HydrophobicContact CD2-SD 4.41Å
6	L	29.6	Very low	37.8	Very low	167 Å²	167	119.3 Å²	119.3	87%	0.874	74%	0.739	S	S	*	*			trans	-106.8	102.3	156.6	-80.6	169	0	0	0	107.7	T4	T4-L6 PolarHBondContact O-N 3.35Å
7	M	33.6	Very low	38.7	Very low	165 Å²	165	118.5 Å²	118.5	81%	0.813	72%	0.724	S	S	*	*			trans	-75.1	124.5	159.9	-70.5	-67.9	-165.6	0	0	107.9	L5	L5-M7 HydrophobicContact CD2-CE 3.81Å; L5-M7 HydrophobicContact CD2-CG 4.29Å; L5-M7 HydrophobicContact CD2-SD 4.41Å
8	A	29.1	Very low	39.8	Very low	104 Å²	104	118.3 Å²	118.3	86%	0.86	72%	0.718	S	S	*	*			trans	-147.2	124.6	164.5	0	0	0	0	0	106.8
9	G	29.8	Very low	40.6	Very low	65 Å²	65	115.3 Å²	115.3	67%	0.67	70%	0.696	S	S	*	*			cis	-170.2	128.6	-9.9	0	0	0	0	0	103.4	Q11	G9-Q11 PolarHBondContact O-N 2.91Å
10	S	34	Very low	41.3	Very low	125 Å²	125	110.3 Å²	110.3	87%	0.874	67%	0.667	S	S	*	*			trans	-62.3	107	176.3	46.9	0	0	0	0	108.6	A12	S10-A12 PolarHBondContact O-N 3.32Å
11	Q	38.6	Very low	42	Very low	187 Å²	187	111 Å²	111	87%	0.874	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-62.9	131	165	-75.5	-179.5	-7.3	0	0	107.5	G9	G9-Q11 PolarHBondContact O-N 2.91Å
12	A	43.3	Very low	43	Very low	84 Å²	84	105.8 Å²	105.8	69%	0.694	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-57.2	142.4	172.8	0	0	0	0	0	109.3	S10 V14	S10-A12 PolarHBondContact O-N 3.32Å; A12-V14 PolarHBondContact O-N 3.38Å
13	P	55.9	Low	44.2	Very low	101 Å²	101	104.1 Å²	104.1	66%	0.656	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-61.1	127.9	178	24.8	-31.8	0	0	0	109.3	T15	P13-T15 PolarHBondContact O-N 3.09Å
14	V	50	Low	45.5	Very low	86 Å²	86	102.9 Å²	102.9	52%	0.521	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-64.9	117.4	174.8	178.4	0	0	0	0	107.9	A12 D18 M19	A12-V14 PolarHBondContact O-N 3.38Å; V14-D18 HydrophobicContact CG1-CB 4.3Å; V14-M19 HydrophobicContact CG1-CG 3.86Å; V14-M19 HydrophobicContact CG1-SD 3.85Å
15	T	58.3	Low	46.1	Very low	59 Å²	59	106.3 Å²	106.3	36%	0.362	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-92.4	162.3	-178.9	68	0	0	0	0	110.9	P13 E17 D18	P13-T15 PolarHBondContact O-N 3.09Å; T15-E17 PolarHBondContact O-N 3.26Å; T15-D18 WeakPolarHBondContact CB-OD2 3.31Å; T15-D18 PolarHBondContact N-OD2 3.47Å; T15-D18 WeakPolarHBondContact O-CB 3.38Å; T15-D18 PolarHBondContact O-N 3.19Å; T15-D18 VanDerWaalsContact OG1-CG 3.24Å; T15-D18 PolarHBondContact OG1-OD2 3.33Å
16	F	52.6	Low	46.8	Very low	54 Å²	54	107.6 Å²	107.6	24%	0.237	59%	0.593	C	S	.	*	H	α-helix	trans	-61.4	-36.2	175.5	-177.7	-103.8	0	0	0	111.8	D18 M19 A20 N46 Y47 V50	F16-D18 PolarHBondContact O-N 3.34Å; F16-M19 CarbonylContact O-C 3.6Å; F16-M19 PolarHBondContact O-N 2.91Å; F16-A20 HydrophobicContact CD1-CB 4.1Å; F16-A20 HydrophobicContact CE1-CB 3.75Å; F16-A20 HydrophobicContact CZ-CB 4.02Å; F16-A20 VanDerWaalsContact O-CB 3.29Å; F16-A20 WeakPolarHBondContact O-CB 3.4Å; F16-A20 PolarHBondContact O-N 2.97Å; F16-N46 HydrophobicContact CE2-CB 4.21Å; F16-Y47 HydrophobicContact CD2-CD2 4.16Å; F16-Y47 HydrophobicContact CE2-CD2 4.31Å; F16-V50 HydrophobicContact CD2-CG2 4.49Å
17	E	52.8	Low	47.7	Very low	106 Å²	106	104.3 Å²	104.3	50%	0.495	57%	0.573	S	S	.	*	H	α-helix	trans	-55.1	-30	171.2	-94.7	68.4	-145.3	0	0	113.6	T15 M19 Y22	T15-E17 PolarHBondContact O-N 3.26Å; E17-M19 VanDerWaalsContact C-N 3.33Å; E17-Y22 WeakPolarHBondContact CG-OH 3.06Å; E17-Y22 PolarHBondContact OE1-OH 3.17Å; E17-Y22 VanDerWaalsContact OE1-OH 3.11Å
18	D	58.9	Low	48.9	Very low	114 Å²	114	98.7 Å²	98.7	61%	0.61	54%	0.543	S	S	*	.	H	α-helix	trans	-78.7	-18	178.6	-57.6	-50.1	0	0	0	112.9	V14 T15 F16	V14-D18 HydrophobicContact CG1-CB 4.3Å; T15-D18 WeakPolarHBondContact CB-OD2 3.31Å; T15-D18 PolarHBondContact N-OD2 3.47Å; T15-D18 WeakPolarHBondContact O-CB 3.38Å; T15-D18 PolarHBondContact O-N 3.19Å; T15-D18 VanDerWaalsContact OG1-CG 3.24Å; T15-D18 PolarHBondContact OG1-OD2 3.33Å; F16-D18 PolarHBondContact O-N 3.34Å
19	M	54.1	Low	50	Low	61 Å²	61	101.8 Å²	101.8	30%	0.3	53%	0.532	S	S	.	.	H	α-helix	trans	-113.1	-12.1	-177	-66.6	-174.8	62.6	0	0	113.7	V14 F16 E17 N46 V50	V14-M19 HydrophobicContact CG1-CG 3.86Å; V14-M19 HydrophobicContact CG1-SD 3.85Å; F16-M19 CarbonylContact O-C 3.6Å; F16-M19 PolarHBondContact O-N 2.91Å; E17-M19 VanDerWaalsContact C-N 3.33Å; M19-N46 HydrophobicContact CE-CB 4.44Å; M19-N46 PolarHBondContact O-ND2 3.13Å; M19-V50 HydrophobicContact SD-CG2 3.66Å
20	A	55.8	Low	51.4	Low	15 Å²	15	103.7 Å²	103.7	12%	0.124	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-84.4	130.2	-179.7	0	0	0	0	0	110.9	F16 Y22 M43	F16-A20 HydrophobicContact CD1-CB 4.1Å; F16-A20 HydrophobicContact CE1-CB 3.75Å; F16-A20 HydrophobicContact CZ-CB 4.02Å; F16-A20 VanDerWaalsContact O-CB 3.29Å; F16-A20 WeakPolarHBondContact O-CB 3.4Å; F16-A20 PolarHBondContact O-N 2.97Å; A20-Y22 HydrophobicContact CB-CD2 4.45Å; A20-Y22 HydrophobicContact CB-CE1 4.33Å; A20-Y22 HydrophobicContact CB-CE2 3.71Å; A20-M43 HydrophobicContact CB-SD 4.32Å
21	M	56.2	Low	52.8	Low	126 Å²	126	99.4 Å²	99.4	62%	0.621	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-96.2	116.9	168.1	-62.8	-170	-51.6	0	0	108.3	Y39 M43	M21-Y39 VanDerWaalsContact O-CE2 3.3Å; M21-Y39 WeakPolarHBondContact O-CE2 3.24Å; M21-Y39 PolarHBondContact O-OH 3.36Å; M21-M43 HydrophobicContact CB-CE 3.72Å; M21-M43 HydrophobicContact CE-CE 4.24Å; M21-M43 HydrophobicContact CG-CE 4.31Å
22	Y	56.5	Low	54.1	Low	139 Å²	139	94 Å²	94	55%	0.545	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-93.1	119	179.2	-58.8	-88.1	0	0	0	110	E17 A20	E17-Y22 WeakPolarHBondContact CG-OH 3.06Å; E17-Y22 PolarHBondContact OE1-OH 3.17Å; E17-Y22 VanDerWaalsContact OE1-OH 3.11Å; A20-Y22 HydrophobicContact CB-CD2 4.45Å; A20-Y22 HydrophobicContact CB-CE1 4.33Å; A20-Y22 HydrophobicContact CB-CE2 3.71Å
23	L	53.1	Low	54.7	Low	66 Å²	66	94.6 Å²	94.6	35%	0.346	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-86.9	130.7	169.6	-69.8	172.2	0	0	0	110	E27 W28 L31 Y39	L23-E27 HydrophobicContact CB-CB 4.46Å; L23-E27 HydrophobicContact CD2-CB 4.07Å; L23-W28 HydrophobicContact CB-CE3 4.1Å; L23-W28 HydrophobicContact CD1-CE3 3.69Å; L23-W28 HydrophobicContact CD1-CZ3 3.92Å; L23-L31 HydrophobicContact CD1-CD1 3.7Å; L23-Y39 HydrophobicContact CD1-CD2 3.65Å; L23-Y39 HydrophobicContact CD1-CE2 3.62Å; L23-Y39 HydrophobicContact CD1-CG 4.35Å; L23-Y39 HydrophobicContact CG-CD2 4.3Å; L23-Y39 HydrophobicContact CG-CE2 3.8Å
24	T	52.1	Low	54.6	Low	76 Å²	76	93 Å²	93	47%	0.466	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-69.3	162.4	173	66	0	0	0	0	110.8	E26 E27 W28	T24-E26 PolarHBondContact O-N 3.11Å; T24-E26 VanDerWaalsContact O-N 3.12Å; T24-E27 WeakPolarHBondContact CB-OE2 3.34Å; T24-E27 WeakPolarHBondContact CG2-OE2 3.39Å; T24-E27 PolarHBondContact N-OE2 3.26Å; T24-E27 PolarHBondContact O-N 2.9Å; T24-E27 VanDerWaalsContact O-N 3.07Å; T24-E27 VanDerWaalsContact OG1-CG 3.29Å; T24-E27 WeakPolarHBondContact OG1-CG 3.37Å; T24-E27 PolarHBondContact OG1-N 2.82Å; T24-E27 PolarHBondContact OG1-OE2 3.11Å; T24-W28 PolarHBondContact O-N 3.39Å
25	R	42.1	Very low	54.6	Low	198 Å²	198	93.4 Å²	93.4	75%	0.747	47%	0.465	S	S	*	.	H	α-helix	trans	-60.1	-25.6	179.8	-164.5	176.2	-170.9	-171.2	2.9	113	R29	R25-R29 WeakPolarHBondContact O-CG 3.43Å
26	E	46.9	Very low	54.6	Low	162 Å²	162	94 Å²	94	76%	0.757	46%	0.461	S	S	*	.	H	α-helix	trans	-79.8	-34.1	178.2	-65.3	178.4	174.3	0	0	111.5	T24 P30	T24-E26 PolarHBondContact O-N 3.11Å; T24-E26 VanDerWaalsContact O-N 3.12Å; E26-P30 WeakPolarHBondContact O-CD 3.49Å
27	E	49	Very low	54.6	Low	98 Å²	98	95.1 Å²	95.1	46%	0.458	47%	0.469	S	S	.	.	H	α-helix	trans	-79.4	-27.3	176.7	-65.7	164.4	139.3	0	0	112.9	L23 T24 P30	L23-E27 HydrophobicContact CB-CB 4.46Å; L23-E27 HydrophobicContact CD2-CB 4.07Å; T24-E27 WeakPolarHBondContact CB-OE2 3.34Å; T24-E27 WeakPolarHBondContact CG2-OE2 3.39Å; T24-E27 PolarHBondContact N-OE2 3.26Å; T24-E27 PolarHBondContact O-N 2.9Å; T24-E27 VanDerWaalsContact O-N 3.07Å; T24-E27 VanDerWaalsContact OG1-CG 3.29Å; T24-E27 WeakPolarHBondContact OG1-CG 3.37Å; T24-E27 PolarHBondContact OG1-N 2.82Å; T24-E27 PolarHBondContact OG1-OE2 3.11Å; E27-P30 WeakPolarHBondContact O-CD 3.38Å
28	W	57.9	Low	54.7	Low	47 Å²	47	95.4 Å²	95.4	18%	0.178	47%	0.474	C	S	.	.	H	α-helix	trans	-75.7	-32.9	178.8	-171	-95.5	0	0	0	114.1	L23 T24 L31 R36 Y39 H131	L23-W28 HydrophobicContact CB-CE3 4.1Å; L23-W28 HydrophobicContact CD1-CE3 3.69Å; L23-W28 HydrophobicContact CD1-CZ3 3.92Å; T24-W28 PolarHBondContact O-N 3.39Å; W28-L31 HydrophobicContact CD2-CD1 4.41Å; W28-L31 HydrophobicContact CE3-CD1 3.95Å; W28-L31 HydrophobicContact CZ3-CD1 4.24Å; W28-L31 PolarHBondContact O-N 2.87Å; W28-R36 HydrophobicContact CH2-CB 4.28Å; W28-R36 HydrophobicContact CH2-CG 4.19Å; W28-R36 HydrophobicContact CZ2-CB 4.08Å; W28-R36 HydrophobicContact CZ2-CG 3.8Å; W28-R36 PolarHBondContact O-NH2 2.84Å; W28-Y39 AromaticContact CH2-CD1 3.55Å; W28-Y39 HydrophobicContact CH2-CD1 3.55Å; W28-Y39 AromaticContact CH2-CE1 3.96Å; W28-Y39 HydrophobicContact CH2-CE1 3.96Å; W28-Y39 HydrophobicContact CH2-CG 4.2Å; W28-Y39 AromaticContact CZ3-CD1 3.33Å; W28-Y39 HydrophobicContact CZ3-CD1 3.33Å; W28-Y39 HydrophobicContact CZ3-CD2 4.32Å; W28-Y39 AromaticContact CZ3-CE1 3.51Å; W28-Y39 HydrophobicContact CZ3-CE1 3.51Å; W28-Y39 HydrophobicContact CZ3-CE2 4.46Å; W28-Y39 AromaticContact CZ3-CG 3.74Å; W28-Y39 HydrophobicContact CZ3-CG 3.74Å; W28-H131 AromaticContact CE2-CE1 3.89Å; W28-H131 AromaticContact CH2-CE1 3.87Å; W28-H131 AromaticContact CZ2-CE1 3.47Å; W28-H131 VanDerWaalsContact CZ2-CE1 3.47Å; W28-H131 WeakPolarHBondContact CZ2-CE1 3.41Å; W28-H131 AromaticContact CZ2-ND1 3.87Å
29	R	51.7	Low	54.7	Low	168 Å²	168	91.5 Å²	91.5	63%	0.634	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-44.5	-177	-85	175.5	177.2	-176.9	1	114.4	R25 L31 R36	R25-R29 WeakPolarHBondContact O-CG 3.43Å; R29-L31 VanDerWaalsContact C-N 3.32Å; R29-L31 PolarHBondContact O-N 2.79Å; R29-R36 PolarHBondContact O-NH2 3.48Å
30	P	60.6	Low	54.7	Low	105 Å²	105	93.2 Å²	93.2	68%	0.682	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-8.9	-179.2	29.8	-36.3	0	0	0	114.8	E26 E27	E26-P30 WeakPolarHBondContact O-CD 3.49Å; E27-P30 WeakPolarHBondContact O-CD 3.38Å
31	L	62.4	Low	54.6	Low	36 Å²	36	97.2 Å²	97.2	19%	0.188	47%	0.473	C	S	.	.			trans	-67.1	135.2	-178.8	-63.6	-178.4	0	0	0	112.4	L23 W28 R29 Q35 R36	L23-L31 HydrophobicContact CD1-CD1 3.7Å; W28-L31 HydrophobicContact CD2-CD1 4.41Å; W28-L31 HydrophobicContact CE3-CD1 3.95Å; W28-L31 HydrophobicContact CZ3-CD1 4.24Å; W28-L31 PolarHBondContact O-N 2.87Å; R29-L31 VanDerWaalsContact C-N 3.32Å; R29-L31 PolarHBondContact O-N 2.79Å; L31-Q35 HydrophobicContact CB-CB 4.27Å; L31-Q35 HydrophobicContact CD2-CB 4.16Å; L31-R36 HydrophobicContact CB-CG 3.74Å; L31-R36 HydrophobicContact CD1-CG 4.24Å; L31-R36 PolarHBondContact O-NE 3.29Å; L31-R36 VanDerWaalsContact O-NE 3.16Å; L31-R36 PolarHBondContact O-NH2 2.85Å; L31-R36 VanDerWaalsContact O-NH2 3.11Å
32	D	65.8	Low	54.6	Low	72 Å²	72	93.7 Å²	93.7	39%	0.385	46%	0.458	S	S	.	.			trans	-74.1	166	171.2	75.8	48.7	0	0	0	111.5	A34 Q35 R36	D32-A34 VanDerWaalsContact C-N 3.3Å; D32-A34 PolarHBondContact O-N 3.17Å; D32-A34 WeakPolarHBondContact OD1-CA 3.24Å; D32-A34 WeakPolarHBondContact OD1-CB 3.35Å; D32-A34 PolarHBondContact OD1-N 3.12Å; D32-Q35 VanDerWaalsContact N-OE1 3.11Å; D32-Q35 PolarHBondContact O-N 3.4Å; D32-Q35 PolarHBondContact OD1-N 3.14Å; D32-Q35 PolarHBondContact OD2-OE1 3.36Å; D32-R36 WeakPolarHBondContact O-CG 3.36Å; D32-R36 PolarHBondContact O-N 2.87Å; D32-R36 VanDerWaalsContact O-N 3.09Å
33	P	56.5	Low	55	Low	97 Å²	97	88 Å²	88	63%	0.63	44%	0.437	S	S	*	.	H	α-helix	trans	-57.8	-37.4	-178.3	-26.5	36.3	0	0	0	114.4	R36 D37	P33-R36 PolarHBondContact O-N 3.2Å; P33-D37 PolarHBondContact O-N 2.79Å
34	A	54.1	Low	54.9	Low	68 Å²	68	91.5 Å²	91.5	56%	0.562	45%	0.452	S	S	*	.	H	α-helix	trans	-71.7	-36.2	-178.5	0	0	0	0	0	111.6	D32 R36 D37 L38	D32-A34 VanDerWaalsContact C-N 3.3Å; D32-A34 PolarHBondContact O-N 3.17Å; D32-A34 WeakPolarHBondContact OD1-CA 3.24Å; D32-A34 WeakPolarHBondContact OD1-CB 3.35Å; D32-A34 PolarHBondContact OD1-N 3.12Å; A34-R36 VanDerWaalsContact C-N 3.34Å; A34-D37 PolarHBondContact O-N 3.41Å; A34-L38 WeakPolarHBondContact O-CB 3.43Å; A34-L38 PolarHBondContact O-N 3Å
35	Q	50.3	Low	55	Low	94 Å²	94	94 Å²	94	44%	0.439	46%	0.458	S	S	.	.	H	α-helix	trans	-67.1	-35.9	173.8	-67.5	175.6	-35.3	0	0	112.2	L31 D32 Y39	L31-Q35 HydrophobicContact CB-CB 4.27Å; L31-Q35 HydrophobicContact CD2-CB 4.16Å; D32-Q35 VanDerWaalsContact N-OE1 3.11Å; D32-Q35 PolarHBondContact O-N 3.4Å; D32-Q35 PolarHBondContact OD1-N 3.14Å; D32-Q35 PolarHBondContact OD2-OE1 3.36Å; Q35-Y39 WeakPolarHBondContact O-CB 3.38Å; Q35-Y39 PolarHBondContact O-N 3.47Å
36	R	58	Low	55.6	Low	73 Å²	73	86 Å²	86	28%	0.275	43%	0.43	S	S	.	.	H	α-helix	trans	-70.4	-35.8	175.5	-69.5	175.1	178.3	162	7.8	112.5	W28 R29 L31 D32 P33 A34 R40	W28-R36 HydrophobicContact CH2-CB 4.28Å; W28-R36 HydrophobicContact CH2-CG 4.19Å; W28-R36 HydrophobicContact CZ2-CB 4.08Å; W28-R36 HydrophobicContact CZ2-CG 3.8Å; W28-R36 PolarHBondContact O-NH2 2.84Å; R29-R36 PolarHBondContact O-NH2 3.48Å; L31-R36 HydrophobicContact CB-CG 3.74Å; L31-R36 HydrophobicContact CD1-CG 4.24Å; L31-R36 PolarHBondContact O-NE 3.29Å; L31-R36 VanDerWaalsContact O-NE 3.16Å; L31-R36 PolarHBondContact O-NH2 2.85Å; L31-R36 VanDerWaalsContact O-NH2 3.11Å; D32-R36 WeakPolarHBondContact O-CG 3.36Å; D32-R36 PolarHBondContact O-N 2.87Å; D32-R36 VanDerWaalsContact O-N 3.09Å; P33-R36 PolarHBondContact O-N 3.2Å; A34-R36 VanDerWaalsContact C-N 3.34Å; R36-R40 PolarHBondContact O-N 3.06Å; R36-R40 VanDerWaalsContact O-N 3.17Å
37	D	52.4	Low	55.8	Low	76 Å²	76	84 Å²	84	41%	0.406	42%	0.416	S	S	.	.	H	α-helix	trans	-67.1	-46.9	173.9	-74.4	-24.5	0	0	0	110.9	P33 A34 Y39 R40 D41	P33-D37 PolarHBondContact O-N 2.79Å; A34-D37 PolarHBondContact O-N 3.41Å; D37-Y39 VanDerWaalsContact C-N 3.33Å; D37-Y39 PolarHBondContact O-N 3.12Å; D37-R40 WeakPolarHBondContact O-CB 3.24Å; D37-R40 PolarHBondContact O-N 3.36Å; D37-R40 IonicContact OD1-CZ 3.91Å; D37-R40 IonicContact OD1-NE 2.93Å; D37-R40 IonicContact OD1-NH2 3.13Å; D37-R40 PolarHBondContact OD1-NH2 3.09Å; D37-D41 PolarHBondContact O-N 3.33Å
38	L	54.7	Low	56.1	Low	113 Å²	113	80.7 Å²	80.7	59%	0.592	41%	0.409	S	S	*	.	H	α-helix	trans	-59	-42.8	176.2	-176.6	64.3	0	0	0	112.3	A34 R40 D41 V42	A34-L38 WeakPolarHBondContact O-CB 3.43Å; A34-L38 PolarHBondContact O-N 3Å; L38-R40 VanDerWaalsContact C-N 3.31Å; L38-R40 PolarHBondContact O-N 3.05Å; L38-D41 PolarHBondContact O-N 3.39Å; L38-V42 HydrophobicContact CD1-CG2 4.45Å; L38-V42 VanDerWaalsContact O-CG2 3.28Å; L38-V42 WeakPolarHBondContact O-CG2 3.38Å; L38-V42 PolarHBondContact O-N 3.4Å
39	Y	59.6	Low	56.1	Low	32 Å²	32	82.1 Å²	82.1	13%	0.125	42%	0.42	C	S	.	.	H	α-helix	trans	-60.4	-40.8	175	175.3	-86.7	0	0	0	112	M21 L23 W28 Q35 D37 M43	M21-Y39 VanDerWaalsContact O-CE2 3.3Å; M21-Y39 WeakPolarHBondContact O-CE2 3.24Å; M21-Y39 PolarHBondContact O-OH 3.36Å; L23-Y39 HydrophobicContact CD1-CD2 3.65Å; L23-Y39 HydrophobicContact CD1-CE2 3.62Å; L23-Y39 HydrophobicContact CD1-CG 4.35Å; L23-Y39 HydrophobicContact CG-CD2 4.3Å; L23-Y39 HydrophobicContact CG-CE2 3.8Å; W28-Y39 AromaticContact CH2-CD1 3.55Å; W28-Y39 HydrophobicContact CH2-CD1 3.55Å; W28-Y39 AromaticContact CH2-CE1 3.96Å; W28-Y39 HydrophobicContact CH2-CE1 3.96Å; W28-Y39 HydrophobicContact CH2-CG 4.2Å; W28-Y39 AromaticContact CZ3-CD1 3.33Å; W28-Y39 HydrophobicContact CZ3-CD1 3.33Å; W28-Y39 HydrophobicContact CZ3-CD2 4.32Å; W28-Y39 AromaticContact CZ3-CE1 3.51Å; W28-Y39 HydrophobicContact CZ3-CE1 3.51Å; W28-Y39 HydrophobicContact CZ3-CE2 4.46Å; W28-Y39 AromaticContact CZ3-CG 3.74Å; W28-Y39 HydrophobicContact CZ3-CG 3.74Å; Q35-Y39 WeakPolarHBondContact O-CB 3.38Å; Q35-Y39 PolarHBondContact O-N 3.47Å; D37-Y39 VanDerWaalsContact C-N 3.33Å; D37-Y39 PolarHBondContact O-N 3.12Å; Y39-M43 HydrophobicContact CD1-CG 4.24Å; Y39-M43 HydrophobicContact CD2-CE 4.22Å; Y39-M43 HydrophobicContact CE1-CG 3.9Å; Y39-M43 HydrophobicContact CE2-CE 3.81Å; Y39-M43 HydrophobicContact CE2-CG 4.32Å; Y39-M43 VanDerWaalsContact O-CG 3.32Å; Y39-M43 WeakPolarHBondContact O-CG 3.48Å; Y39-M43 PolarHBondContact O-N 3.31Å; Y39-M43 VanDerWaalsContact O-N 3.07Å
40	R	53.2	Low	56.4	Low	97 Å²	97	75.3 Å²	75.3	37%	0.366	40%	0.397	S	S	.	.	H	α-helix	trans	-64.3	-44.4	176.9	-82.7	-170.7	-78.8	-110.3	4.9	112.1	R36 D37 L38 V42 M43 Q44	R36-R40 PolarHBondContact O-N 3.06Å; R36-R40 VanDerWaalsContact O-N 3.17Å; D37-R40 WeakPolarHBondContact O-CB 3.24Å; D37-R40 PolarHBondContact O-N 3.36Å; D37-R40 IonicContact OD1-CZ 3.91Å; D37-R40 IonicContact OD1-NE 2.93Å; D37-R40 IonicContact OD1-NH2 3.13Å; D37-R40 PolarHBondContact OD1-NH2 3.09Å; L38-R40 VanDerWaalsContact C-N 3.31Å; L38-R40 PolarHBondContact O-N 3.05Å; R40-V42 VanDerWaalsContact C-N 3.35Å; R40-V42 PolarHBondContact O-N 2.85Å; R40-M43 PolarHBondContact O-N 3.23Å; R40-Q44 VanDerWaalsContact O-CB 3.31Å; R40-Q44 WeakPolarHBondContact O-CB 3.41Å; R40-Q44 PolarHBondContact O-N 3.37Å
41	D	54	Low	56.1	Low	98 Å²	98	73.5 Å²	73.5	52%	0.524	38%	0.384	S	S	.	.	H	α-helix	trans	-62.6	-44.1	-179.5	-69.9	-15.6	0	0	0	110.8	D37 L38 Q44 E45	D37-D41 PolarHBondContact O-N 3.33Å; L38-D41 PolarHBondContact O-N 3.39Å; D41-Q44 PolarHBondContact O-N 3.43Å; D41-E45 WeakPolarHBondContact O-CB 3.36Å; D41-E45 PolarHBondContact O-N 3.27Å
42	V	56.5	Low	55.7	Low	52 Å²	52	75.1 Å²	75.1	32%	0.315	40%	0.398	S	S	.	.	H	α-helix	trans	-63.9	-43.7	178	172.6	0	0	0	0	111.9	L38 R40 Q44 E45 N46	L38-V42 HydrophobicContact CD1-CG2 4.45Å; L38-V42 VanDerWaalsContact O-CG2 3.28Å; L38-V42 WeakPolarHBondContact O-CG2 3.38Å; L38-V42 PolarHBondContact O-N 3.4Å; R40-V42 VanDerWaalsContact C-N 3.35Å; R40-V42 PolarHBondContact O-N 2.85Å; V42-Q44 VanDerWaalsContact C-N 3.31Å; V42-Q44 PolarHBondContact O-N 3.03Å; V42-E45 PolarHBondContact O-N 3.17Å; V42-N46 WeakPolarHBondContact O-CB 3.28Å; V42-N46 VanDerWaalsContact O-CG 3.27Å; V42-N46 PolarHBondContact O-N 3.19Å; V42-N46 PolarHBondContact O-OD1 2.94Å
43	M	65.2	Low	55	Low	19 Å²	19	75.9 Å²	75.9	9%	0.094	40%	0.402	C	S	.	.	H	α-helix	trans	-68	-32.8	177.9	-66.8	-58.1	142.8	0	0	112.3	A20 M21 Y39 R40 Y47	A20-M43 HydrophobicContact CB-SD 4.32Å; M21-M43 HydrophobicContact CB-CE 3.72Å; M21-M43 HydrophobicContact CE-CE 4.24Å; M21-M43 HydrophobicContact CG-CE 4.31Å; Y39-M43 HydrophobicContact CD1-CG 4.24Å; Y39-M43 HydrophobicContact CD2-CE 4.22Å; Y39-M43 HydrophobicContact CE1-CG 3.9Å; Y39-M43 HydrophobicContact CE2-CE 3.81Å; Y39-M43 HydrophobicContact CE2-CG 4.32Å; Y39-M43 VanDerWaalsContact O-CG 3.32Å; Y39-M43 WeakPolarHBondContact O-CG 3.48Å; Y39-M43 PolarHBondContact O-N 3.31Å; Y39-M43 VanDerWaalsContact O-N 3.07Å; R40-M43 PolarHBondContact O-N 3.23Å; M43-Y47 WeakPolarHBondContact O-CB 3.26Å; M43-Y47 PolarHBondContact O-N 3.44Å
44	Q	50.9	Low	54.5	Low	141 Å²	141	75.5 Å²	75.5	66%	0.659	39%	0.394	S	S	*	.	H	α-helix	trans	-71.3	-37.3	176.3	-172.1	167.6	-4.4	0	0	112.1	R40 D41 V42 G48	R40-Q44 VanDerWaalsContact O-CB 3.31Å; R40-Q44 WeakPolarHBondContact O-CB 3.41Å; R40-Q44 PolarHBondContact O-N 3.37Å; D41-Q44 PolarHBondContact O-N 3.43Å; V42-Q44 VanDerWaalsContact C-N 3.31Å; V42-Q44 PolarHBondContact O-N 3.03Å; Q44-G48 PolarHBondContact O-N 2.95Å
45	E	53.7	Low	53.6	Low	127 Å²	127	79.9 Å²	79.9	59%	0.593	40%	0.401	S	S	*	.	H	α-helix	trans	-66.8	-46	173.3	-170	176.1	175.9	0	0	111.4	D41 V42 Y47 G48 N49	D41-E45 WeakPolarHBondContact O-CB 3.36Å; D41-E45 PolarHBondContact O-N 3.27Å; V42-E45 PolarHBondContact O-N 3.17Å; E45-Y47 VanDerWaalsContact C-N 3.29Å; E45-Y47 PolarHBondContact O-N 3.19Å; E45-G48 PolarHBondContact O-N 3.16Å; E45-G48 VanDerWaalsContact O-N 3.1Å; E45-N49 VanDerWaalsContact O-CG 3.29Å; E45-N49 PolarHBondContact O-N 3.38Å; E45-N49 PolarHBondContact O-ND2 2.92Å
46	N	53.7	Low	52.7	Low	32 Å²	32	81.9 Å²	81.9	17%	0.171	41%	0.41	C	S	.	.	H	α-helix	trans	-57.8	-42.2	175.2	-73.2	-2.6	0	0	0	111.7	F16 M19 V42 N49 V50	F16-N46 HydrophobicContact CE2-CB 4.21Å; M19-N46 HydrophobicContact CE-CB 4.44Å; M19-N46 PolarHBondContact O-ND2 3.13Å; V42-N46 WeakPolarHBondContact O-CB 3.28Å; V42-N46 VanDerWaalsContact O-CG 3.27Å; V42-N46 PolarHBondContact O-N 3.19Å; V42-N46 PolarHBondContact O-OD1 2.94Å; N46-N49 PolarHBondContact O-N 3.47Å; N46-V50 WeakPolarHBondContact O-CG2 3.28Å; N46-V50 PolarHBondContact O-N 2.78Å; N46-V50 VanDerWaalsContact O-N 3.11Å
47	Y	52.8	Low	51.8	Low	119 Å²	119	82.7 Å²	82.7	47%	0.467	42%	0.419	S	S	.	.	H	α-helix	trans	-64.4	-43.3	175.3	-179.4	-97.4	0	0	0	112.1	F16 M43 E45 N49 V50 V51	F16-Y47 HydrophobicContact CD2-CD2 4.16Å; F16-Y47 HydrophobicContact CE2-CD2 4.31Å; M43-Y47 WeakPolarHBondContact O-CB 3.26Å; M43-Y47 PolarHBondContact O-N 3.44Å; E45-Y47 VanDerWaalsContact C-N 3.29Å; E45-Y47 PolarHBondContact O-N 3.19Å; Y47-N49 VanDerWaalsContact C-N 3.26Å; Y47-N49 PolarHBondContact O-N 3.18Å; Y47-V50 PolarHBondContact O-N 3.09Å; Y47-V51 HydrophobicContact CD1-CG2 4.12Å; Y47-V51 HydrophobicContact CD2-CG2 4.48Å; Y47-V51 HydrophobicContact CE1-CG2 3.64Å; Y47-V51 HydrophobicContact CE2-CG2 4.06Å; Y47-V51 WeakPolarHBondContact O-CG2 3.41Å; Y47-V51 PolarHBondContact O-N 3.36Å
48	G	53.6	Low	51	Low	29 Å²	29	86.6 Å²	86.6	30%	0.299	43%	0.428	S	S	.	.	H	α-helix	trans	-58.4	-38.4	175.9	0	0	0	0	0	112.9	Q44 E45 S52	Q44-G48 PolarHBondContact O-N 2.95Å; E45-G48 PolarHBondContact O-N 3.16Å; E45-G48 VanDerWaalsContact O-N 3.1Å; G48-S52 WeakPolarHBondContact O-CB 3.44Å; G48-S52 PolarHBondContact O-N 3.43Å; G48-S52 VanDerWaalsContact O-N 3.09Å; G48-S52 PolarHBondContact O-OG 3.28Å
49	N	59.3	Low	50	Low	76 Å²	76	85.7 Å²	85.7	41%	0.406	43%	0.431	S	S	.	.	H	α-helix	trans	-68.9	-45.3	177.9	-67.3	-26.8	0	0	0	112	E45 N46 Y47 V51 S52 L53	E45-N49 VanDerWaalsContact O-CG 3.29Å; E45-N49 PolarHBondContact O-N 3.38Å; E45-N49 PolarHBondContact O-ND2 2.92Å; N46-N49 PolarHBondContact O-N 3.47Å; Y47-N49 VanDerWaalsContact C-N 3.26Å; Y47-N49 PolarHBondContact O-N 3.18Å; N49-V51 PolarHBondContact O-N 2.84Å; N49-S52 PolarHBondContact O-N 3.19Å; N49-L53 WeakPolarHBondContact O-CG 3.36Å; N49-L53 PolarHBondContact O-N 3.39Å; N49-L53 VanDerWaalsContact O-N 3.1Å
50	V	57.9	Low	48.7	Very low	25 Å²	25	91.8 Å²	91.8	15%	0.152	46%	0.461	C	S	.	.	H	α-helix	trans	-62.5	-43.2	177.4	175	0	0	0	0	111.4	F16 M19 N46 Y47 S52 L53 D54	F16-V50 HydrophobicContact CD2-CG2 4.49Å; M19-V50 HydrophobicContact SD-CG2 3.66Å; N46-V50 WeakPolarHBondContact O-CG2 3.28Å; N46-V50 PolarHBondContact O-N 2.78Å; N46-V50 VanDerWaalsContact O-N 3.11Å; Y47-V50 PolarHBondContact O-N 3.09Å; V50-S52 VanDerWaalsContact C-N 3.3Å; V50-S52 PolarHBondContact O-N 3.31Å; V50-L53 PolarHBondContact O-N 3.15Å; V50-D54 PolarHBondContact O-N 3.13Å; V50-D54 VanDerWaalsContact O-N 3.11Å
51	V	53	Low	47.8	Very low	67 Å²	67	93 Å²	93	41%	0.406	48%	0.475	S	S	.	.	H	α-helix	trans	-65.7	-33	177.7	173	0	0	0	0	112.3	Y47 N49 D54 F55	Y47-V51 HydrophobicContact CD1-CG2 4.12Å; Y47-V51 HydrophobicContact CD2-CG2 4.48Å; Y47-V51 HydrophobicContact CE1-CG2 3.64Å; Y47-V51 HydrophobicContact CE2-CG2 4.06Å; Y47-V51 WeakPolarHBondContact O-CG2 3.41Å; Y47-V51 PolarHBondContact O-N 3.36Å; N49-V51 PolarHBondContact O-N 2.84Å; V51-D54 PolarHBondContact O-N 3.02Å; V51-F55 PolarHBondContact O-N 2.9Å; V51-F55 VanDerWaalsContact O-N 3.11Å
52	S	53.7	Low	46.6	Very low	70 Å²	70	96 Å²	96	49%	0.49	49%	0.486	S	S	.	.	H	α-helix	trans	-70.6	-39.1	178.3	-59.2	0	0	0	0	111.7	G48 N49 V50 D54 F55 E56	G48-S52 WeakPolarHBondContact O-CB 3.44Å; G48-S52 PolarHBondContact O-N 3.43Å; G48-S52 VanDerWaalsContact O-N 3.09Å; G48-S52 PolarHBondContact O-OG 3.28Å; N49-S52 PolarHBondContact O-N 3.19Å; V50-S52 VanDerWaalsContact C-N 3.3Å; V50-S52 PolarHBondContact O-N 3.31Å; S52-D54 VanDerWaalsContact C-N 3.33Å; S52-F55 PolarHBondContact O-N 3.36Å; S52-E56 PolarHBondContact O-N 3.18Å
53	L	52.4	Low	45.3	Very low	89 Å²	89	100.2 Å²	100.2	47%	0.466	51%	0.511	S	S	.	.	H	α-helix	trans	-64.2	-37.8	173.9	-67.5	168.8	0	0	0	111.8	N49 V50 F55 E56 I57	N49-L53 WeakPolarHBondContact O-CG 3.36Å; N49-L53 PolarHBondContact O-N 3.39Å; N49-L53 VanDerWaalsContact O-N 3.1Å; V50-L53 PolarHBondContact O-N 3.15Å; L53-F55 VanDerWaalsContact C-N 3.32Å; L53-F55 PolarHBondContact O-N 3.49Å; L53-E56 PolarHBondContact O-N 3.05Å; L53-I57 WeakPolarHBondContact O-CD1 3.33Å; L53-I57 WeakPolarHBondContact O-CG1 3.46Å; L53-I57 PolarHBondContact O-N 3.15Å
54	D	44.8	Very low	43.6	Very low	89 Å²	89	105 Å²	105	48%	0.476	54%	0.537	S	S	.	.	H	α-helix	trans	-70.8	-28.1	177.9	-141.6	29.4	0	0	0	112.3	V50 V51 S52 R58	V50-D54 PolarHBondContact O-N 3.13Å; V50-D54 VanDerWaalsContact O-N 3.11Å; V51-D54 PolarHBondContact O-N 3.02Å; S52-D54 VanDerWaalsContact C-N 3.33Å; D54-R58 VanDerWaalsContact O-CG 3.31Å; D54-R58 WeakPolarHBondContact O-CG 3.42Å; D54-R58 PolarHBondContact O-N 2.76Å
55	F	36	Very low	42.5	Very low	160 Å²	160	104 Å²	104	70%	0.702	54%	0.543	S	S	*	.	H	α-helix	trans	-74.6	-35.6	175.6	-163.6	-95	0	0	0	112.7	V51 S52 L53 S59	V51-F55 PolarHBondContact O-N 2.9Å; V51-F55 VanDerWaalsContact O-N 3.11Å; S52-F55 PolarHBondContact O-N 3.36Å; L53-F55 VanDerWaalsContact C-N 3.32Å; L53-F55 PolarHBondContact O-N 3.49Å; F55-S59 PolarHBondContact O-N 2.92Å
56	E	32.3	Very low	41.2	Very low	135 Å²	135	104.2 Å²	104.2	63%	0.631	54%	0.542	S	S	*	.	H	α-helix	trans	-64.8	-42.9	173.6	-74.7	-176.1	164.5	0	0	111.2	S52 L53 R58 S59	S52-E56 PolarHBondContact O-N 3.18Å; L53-E56 PolarHBondContact O-N 3.05Å; E56-R58 PolarHBondContact O-N 2.81Å; E56-S59 PolarHBondContact O-N 3.17Å; E56-S59 PolarHBondContact O-OG 2.95Å
57	I	38.1	Very low	39.9	Very low	91 Å²	91	112.2 Å²	112.2	47%	0.467	58%	0.578	S	S	.	*	H	α-helix	trans	-68.1	-33.6	-179.1	-63.7	166	0	0	0	112.7	L53 N61	L53-I57 WeakPolarHBondContact O-CD1 3.33Å; L53-I57 WeakPolarHBondContact O-CG1 3.46Å; L53-I57 PolarHBondContact O-N 3.15Å; I57-N61 PolarHBondContact O-ND2 3.24Å
58	R	35	Very low	38.6	Very low	157 Å²	157	115.2 Å²	115.2	59%	0.592	60%	0.596	S	S	*	*	H	α-helix	trans	-76.3	-24.4	178.4	-71.9	176.2	103.1	161.1	9.1	113.5	D54 E56 E60 N61	D54-R58 VanDerWaalsContact O-CG 3.31Å; D54-R58 WeakPolarHBondContact O-CG 3.42Å; D54-R58 PolarHBondContact O-N 2.76Å; E56-R58 PolarHBondContact O-N 2.81Å; R58-E60 PolarHBondContact O-N 2.83Å; R58-N61 PolarHBondContact O-N 3.47Å
59	S	34.1	Very low	37.2	Very low	94 Å²	94	122 Å²	122	66%	0.657	62%	0.624	S	S	*	*	H	α-helix	trans	-69.2	-21	178.3	76.5	0	0	0	0	113.6	F55 E56	F55-S59 PolarHBondContact O-N 2.92Å; E56-S59 PolarHBondContact O-N 3.17Å; E56-S59 PolarHBondContact O-OG 2.95Å
60	E	31.7	Very low	35.4	Very low	160 Å²	160	123 Å²	123	75%	0.748	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-15.2	179.3	-67.7	-171.7	152.7	0	0	114	R58	R58-E60 PolarHBondContact O-N 2.83Å
61	N	35.2	Very low	33.7	Very low	122 Å²	122	130.9 Å²	130.9	65%	0.652	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.2	2.1	-160.6	-74	-51.6	0	0	0	118.6	I57 R58	I57-N61 PolarHBondContact O-ND2 3.24Å; R58-N61 PolarHBondContact O-N 3.47Å
62	E	28.5	Very low	32.1	Very low	162 Å²	162	135 Å²	135	76%	0.757	69%	0.692	S	S	*	*			trans	-111.8	100.5	178.4	-73.5	-168.4	-178.8	0	0	114.5
63	V	29.6	Very low	30.6	Very low	141 Å²	141	138.5 Å²	138.5	86%	0.855	71%	0.71	S	S	*	*			trans	-85.1	138	159.1	172.2	0	0	0	0	109.5
64	N	28.3	Very low	29.2	Very low	120 Å²	120	143.2 Å²	143.2	64%	0.642	73%	0.73	S	S	*	*			trans	-46.4	151.8	-180	-169.4	13.1	0	0	0	116.9
65	P	28.9	Very low	28	Very low	119 Å²	119	149.1 Å²	149.1	77%	0.773	75%	0.751	S	S	*	*			trans	-132.2	136.7	135.4	28.3	-10.8	0	0	0	115.5
66	K	25.7	Very low	27.3	Very low	131 Å²	131	145.1 Å²	145.1	57%	0.57	76%	0.755	S	S	*	*			trans	-73.1	157.7	171.5	-52.4	-179.4	-166	-174.9	0	112.3	E252	K66-E252 WeakPolarHBondContact CE-OE1 3.42Å; K66-E252 IonicContact NZ-OE1 3.14Å; K66-E252 PolarHBondContact NZ-OE1 3.13Å; K66-E252 IonicContact NZ-OE2 2.77Å; K66-E252 PolarHBondContact NZ-OE2 2.97Å
67	Q	27.1	Very low	26.8	Very low	201 Å²	201	145.2 Å²	145.2	94%	0.939	77%	0.765	S	S	*	*			trans	-152.4	129.1	147.5	-128.5	172.8	-13.1	0	0	113.4
68	E	24.4	Very low	25.9	Very low	181 Å²	181	145.4 Å²	145.4	85%	0.846	77%	0.774	S	S	*	*			trans	-74.7	147.5	174.8	-57.6	173.4	142.7	0	0	112
69	I	24.4	Very low	25.3	Very low	173 Å²	173	146.7 Å²	146.7	89%	0.887	79%	0.787	S	S	*	*			trans	-148.3	117.4	144.1	-52.4	-179.8	0	0	0	109.3
70	S	21.3	Very low	24.7	Very low	95 Å²	95	153 Å²	153	66%	0.664	80%	0.797	S	S	*	*			trans	-80.2	152.7	163.7	50.4	0	0	0	0	111.3
71	E	23.2	Very low	24.4	Very low	192 Å²	192	151.2 Å²	151.2	90%	0.897	80%	0.799	S	S	*	*				177.5	131.3	129.9	-98.3	168.2	-168.6	0	0	113.1
72	D	19.8	Very low	23.7	Very low	154 Å²	154	149 Å²	149	82%	0.824	80%	0.798	S	S	*	*			trans	-70.2	161.5	160.8	-72.3	-57.6	0	0	0	111.5
73	V	21.8	Very low	23.6	Very low	143 Å²	143	150 Å²	150	87%	0.867	80%	0.802	S	S	*	*				165.5	144.8	121.2	163.3	0	0	0	0	111.8
74	Q	22.5	Very low	23.3	Very low	188 Å²	188	150.2 Å²	150.2	88%	0.879	80%	0.799	S	S	*	*			trans	-75	167.6	-169.3	-73.4	167	-47.6	0	0	117.6
75	F	20.3	Very low	23	Very low	213 Å²	213	148.7 Å²	148.7	93%	0.934	80%	0.802	S	S	*	*			trans	-40	146.7	163.2	-111.1	-104.6	0	0	0	117.3
76	G	20.7	Very low	22.7	Very low	75 Å²	75	151.5 Å²	151.5	77%	0.773	81%	0.805	S	S	*	*			trans	-169.3	136.7	162.9	0	0	0	0	0	112.3
77	T	21.3	Very low	22.5	Very low	138 Å²	138	154 Å²	154	85%	0.847	82%	0.819	S	S	*	*			trans	-81.3	156.5	-165.1	46.3	0	0	0	0	116.5
78	S	20.1	Very low	22.3	Very low	94 Å²	94	151.9 Å²	151.9	66%	0.657	81%	0.814	S	S	*	*				128.6	129.3	127.2	-150.3	0	0	0	0	117.5
79	E	21.8	Very low	22.9	Very low	185 Å²	185	147.4 Å²	147.4	86%	0.864	80%	0.801	S	S	*	*			trans	75.4	122.5	145.5	-76.3	166.1	-172.4	0	0	124.2
80	R	22	Very low	22.8	Very low	227 Å²	227	147.8 Å²	147.8	86%	0.857	80%	0.799	S	S	*	*			trans	-71.8	158.4	159.9	-111	-179	-177.1	-170.8	0.2	110.1
81	P	24.7	Very low	22.9	Very low	121 Å²	121	149 Å²	149	79%	0.786	81%	0.807	S	S	*	*				-137.5	139.6	76.1	18.5	5	0	0	0	113
82	A	21.8	Very low	22.9	Very low	77 Å²	77	148 Å²	148	64%	0.636	80%	0.802	S	S	*	*				61.5	110.3	83.4	0	0	0	0	0	114.7
83	E	24.9	Very low	23.1	Very low	183 Å²	183	149.3 Å²	149.3	86%	0.855	80%	0.803	S	S	*	*			trans	-176.3	123.1	133.7	-99.7	170.7	-162.9	0	0	112.3
84	N	24	Very low	23.1	Very low	145 Å²	145	145.9 Å²	145.9	78%	0.775	80%	0.797	S	S	*	*			trans	41.1	119.2	138.9	-52	-18.7	0	0	0	120.4
85	A	22.5	Very low	22.9	Very low	87 Å²	87	145.4 Å²	145.4	72%	0.719	79%	0.792	S	S	*	*				87.4	138.7	62.5	0	0	0	0	0	114.9
86	E	22.6	Very low	23	Very low	179 Å²	179	141.9 Å²	141.9	84%	0.836	78%	0.779	S	S	*	*			trans	82.3	143.8	170	-59	175.4	-178.1	0	0	116.9
87	E	22.2	Very low	23	Very low	183 Å²	183	143.5 Å²	143.5	86%	0.855	78%	0.779	S	S	*	*			cis	-164.5	158	-23	-112.4	-178	-178	0	0	106
88	N	22.9	Very low	23.1	Very low	157 Å²	157	140.8 Å²	140.8	84%	0.84	78%	0.778	S	S	*	*			trans	-46.4	-173.5	173.5	-112.2	1.4	0	0	0	116.8
89	P	35.1	Very low	23.1	Very low	87 Å²	87	144 Å²	144	57%	0.565	79%	0.788	S	S	*	*				-142.1	-166.6	-51.9	39.7	-18.4	0	0	0	113.3
90	E	22.4	Very low	23.4	Very low	181 Å²	181	146.4 Å²	146.4	85%	0.846	79%	0.789	S	S	*	*			trans	76.8	123.7	147.9	-77.2	169.8	-170.7	0	0	123.9
91	S	24.3	Very low	23.4	Very low	119 Å²	119	140.5 Å²	140.5	83%	0.832	78%	0.782	S	S	*	*				167.4	112.5	129.6	39.1	0	0	0	0	108
92	E	23.1	Very low	23.6	Very low	172 Å²	172	143.8 Å²	143.8	80%	0.804	79%	0.787	S	S	*	*				66.3	119.6	67.5	-95.2	-168.7	-174	0	0	117
93	E	23	Very low	23.7	Very low	181 Å²	181	150.8 Å²	150.8	85%	0.846	80%	0.797	S	S	*	*			trans	68.1	140.5	153.3	-53.3	-167.6	161.5	0	0	118.8
94	G	21.8	Very low	23.6	Very low	71 Å²	71	151.3 Å²	151.3	73%	0.732	80%	0.8	S	S	*	*			cis	171.2	-169.7	7.4	0	0	0	0	0	109.4
95	F	20.1	Very low	23.6	Very low	178 Å²	178	156.3 Å²	156.3	78%	0.781	81%	0.808	S	S	*	*			trans	106.8	106.8	154.8	-121.6	-115.5	0	0	0	121.9
96	E	20.8	Very low	23.7	Very low	140 Å²	140	155.3 Å²	155.3	65%	0.654	81%	0.806	S	S	*	*				65.9	115.7	129.5	-72.2	-167.4	176.6	0	0	125
97	S	22.2	Very low	23.9	Very low	109 Å²	109	154.5 Å²	154.5	76%	0.762	81%	0.807	S	S	*	*				19.3	126.2	128.3	47.1	0	0	0	0	120.9
98	G	22.7	Very low	24	Very low	81 Å²	81	154 Å²	154	84%	0.835	81%	0.81	S	S	*	*			trans	-161.6	133.3	163.5	0	0	0	0	0	112.9
99	D	21.2	Very low	24.2	Very low	161 Å²	161	152.7 Å²	152.7	86%	0.861	81%	0.807	S	S	*	*			trans	-61.3	160.4	-163.8	-151.8	-7.8	0	0	0	117.8
100	R	27	Very low	23.9	Very low	235 Å²	235	152.9 Å²	152.9	89%	0.887	82%	0.816	S	S	*	*			trans	-66	128.1	173.1	-169	-174	-133.1	-146.7	1.7	110.3
101	S	22.8	Very low	24.3	Very low	103 Å²	103	153 Å²	153	72%	0.72	82%	0.816	S	S	*	*			trans	-140.2	129.3	155.9	59.7	0	0	0	0	111.4
102	E	27.9	Very low	24.3	Very low	191 Å²	191	156.7 Å²	156.7	89%	0.893	82%	0.82	S	S	*	*			trans	-53.9	136	174.8	-72.7	165	131.5	0	0	111.5
103	R	24.1	Very low	24.5	Very low	224 Å²	224	158.1 Å²	158.1	85%	0.845	82%	0.819	S	S	*	*			trans	-128.4	112.1	154.8	-72	-170.3	-175	177.5	2.6	110
104	Q	23.5	Very low	24.8	Very low	193 Å²	193	156.4 Å²	156.4	90%	0.902	82%	0.821	S	S	*	*			trans	-52.8	122.9	168	-166.5	170.1	19.7	0	0	110.2
105	W	23.2	Very low	25.6	Very low	251 Å²	251	157.6 Å²	157.6	95%	0.951	82%	0.818	S	S	*	*			trans	-89.8	108.6	173.8	-82	77.8	0	0	0	109.3
106	G	24	Very low	26	Very low	65 Å²	65	158 Å²	158	67%	0.67	82%	0.815	S	S	*	*			trans	-96.5	145.5	162	0	0	0	0	0	110.4
107	D	28.1	Very low	27.2	Very low	162 Å²	162	154.1 Å²	154.1	87%	0.866	80%	0.802	S	S	*	*			trans	-11.2	129.2	171.9	-77.4	-36.8	0	0	0	118
108	L	24.6	Very low	27.9	Very low	174 Å²	174	153.5 Å²	153.5	91%	0.911	79%	0.789	S	S	*	*			trans	-152.4	149.1	134.1	-92.1	-179.4	0	0	0	111.1
109	T	25.5	Very low	28.8	Very low	129 Å²	129	155.5 Å²	155.5	79%	0.791	78%	0.777	S	S	*	*			trans	-80.5	159.1	-153.9	46.4	0	0	0	0	116.1	E111	T109-E111 PolarHBondContact O-N 3.2Å
110	A	30.6	Very low	29.8	Very low	90 Å²	90	154.9 Å²	154.9	74%	0.744	77%	0.769	S	S	*	*			trans	-52.3	124.7	175.7	0	0	0	0	0	113.8
111	E	29.6	Very low	30.6	Very low	183 Å²	183	147.1 Å²	147.1	86%	0.855	75%	0.748	S	S	*	*			trans	175.7	91.9	136.8	-97.7	167.9	-160.6	0	0	108.8	T109	T109-E111 PolarHBondContact O-N 3.2Å
112	E	25.1	Very low	31.8	Very low	197 Å²	197	144.2 Å²	144.2	92%	0.921	73%	0.726	S	S	*	*			trans	-173.1	89.9	151.9	-106.5	170.6	176.8	0	0	109.5
113	W	25.9	Very low	32.6	Very low	202 Å²	202	139.4 Å²	139.4	77%	0.765	71%	0.706	S	S	*	*			trans	-95	89.2	175.2	-85.7	71.9	0	0	0	110.5	Y116	W113-Y116 HydrophobicContact CD2-CE2 4.4Å; W113-Y116 HydrophobicContact CE3-CD2 4.13Å; W113-Y116 HydrophobicContact CE3-CE2 4.23Å; W113-Y116 HydrophobicContact CH2-CD2 4.4Å; W113-Y116 HydrophobicContact CH2-CE2 4.02Å; W113-Y116 HydrophobicContact CZ2-CE2 4.2Å; W113-Y116 AromaticContact CZ3-CD2 3.98Å; W113-Y116 HydrophobicContact CZ3-CD2 3.98Å; W113-Y116 HydrophobicContact CZ3-CE2 4.04Å
114	V	30.2	Very low	33.9	Very low	146 Å²	146	132.4 Å²	132.4	89%	0.885	69%	0.685	S	S	*	*			trans	-152.1	88	148.3	-174	0	0	0	0	108.4
115	S	39	Very low	35.2	Very low	96 Å²	96	124 Å²	124	67%	0.671	65%	0.646	S	S	*	*			trans	156.2	91.2	156.9	173.9	0	0	0	0	108.9
116	Y	27.9	Very low	36.6	Very low	187 Å²	187	115.6 Å²	115.6	73%	0.733	62%	0.623	S	S	*	*			trans	-107.9	130.6	168.8	-103	-98.7	0	0	0	110.7	W113	W113-Y116 HydrophobicContact CD2-CE2 4.4Å; W113-Y116 HydrophobicContact CE3-CD2 4.13Å; W113-Y116 HydrophobicContact CE3-CE2 4.23Å; W113-Y116 HydrophobicContact CH2-CD2 4.4Å; W113-Y116 HydrophobicContact CH2-CE2 4.02Å; W113-Y116 HydrophobicContact CZ2-CE2 4.2Å; W113-Y116 AromaticContact CZ3-CD2 3.98Å; W113-Y116 HydrophobicContact CZ3-CD2 3.98Å; W113-Y116 HydrophobicContact CZ3-CE2 4.04Å
117	P	45.4	Very low	37.7	Very low	57 Å²	57	116.6 Å²	116.6	37%	0.37	61%	0.609	S	S	.	*				-140.8	173.4	-102.3	29.2	-7	0	0	0	114.8	Q119	P117-Q119 HydrophobicContact CG-CB 4.22Å; P117-Q119 PolarHBondContact O-N 2.76Å
118	L	38.6	Very low	38.7	Very low	96 Å²	96	113.3 Å²	113.3	50%	0.503	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-41.4	-10.3	167.7	-95.1	79.5	0	0	0	117	Q120 V121 T122	L118-Q120 PolarHBondContact O-N 2.86Å; L118-V121 PolarHBondContact O-N 3.11Å; L118-T122 PolarHBondContact O-N 3.16Å; L118-T122 PolarHBondContact O-OG1 3.47Å; L118-T122 VanDerWaalsContact O-OG1 3.12Å
119	Q	39.8	Very low	40.1	Very low	123 Å²	123	107.8 Å²	107.8	58%	0.575	56%	0.557	S	S	*	*	H	α-helix	trans	-57.5	-47.6	-172.3	-136.5	85.4	12.2	0	0	113.4	P117 V121 T122 D123	P117-Q119 HydrophobicContact CG-CB 4.22Å; P117-Q119 PolarHBondContact O-N 2.76Å; Q119-V121 VanDerWaalsContact C-N 3.34Å; Q119-V121 PolarHBondContact O-N 3.49Å; Q119-T122 VanDerWaalsContact C-OG1 3.27Å; Q119-T122 VanDerWaalsContact CA-OG1 3.24Å; Q119-T122 WeakPolarHBondContact CA-OG1 3.41Å; Q119-T122 PolarHBondContact O-N 2.93Å; Q119-T122 PolarHBondContact O-OG1 3.3Å; Q119-D123 PolarHBondContact O-N 3.48Å; Q119-D123 VanDerWaalsContact O-OD2 3.1Å
120	Q	42.1	Very low	41.2	Very low	149 Å²	149	107 Å²	107	70%	0.696	55%	0.552	S	S	*	*	H	α-helix	trans	-68.8	-32	-177.9	-67.6	179.2	13.7	0	0	112.8	L118 L124	L118-Q120 PolarHBondContact O-N 2.86Å; Q120-L124 PolarHBondContact O-N 3.06Å; Q120-L124 VanDerWaalsContact O-N 3.13Å
121	V	45.3	Very low	41.9	Very low	71 Å²	71	105.6 Å²	105.6	43%	0.43	53%	0.53	S	S	.	.	H	α-helix	trans	-72.6	-39.1	175.2	176.4	0	0	0	0	110.3	L118 Q119 D123 L125	L118-V121 PolarHBondContact O-N 3.11Å; Q119-V121 VanDerWaalsContact C-N 3.34Å; Q119-V121 PolarHBondContact O-N 3.49Å; V121-D123 VanDerWaalsContact C-N 3.34Å; V121-L125 HydrophobicContact CG1-CD1 3.74Å; V121-L125 HydrophobicContact CG1-CG 4.44Å; V121-L125 WeakPolarHBondContact O-CB 3.34Å; V121-L125 VanDerWaalsContact O-CD1 3.32Å; V121-L125 WeakPolarHBondContact O-CD1 3.41Å; V121-L125 WeakPolarHBondContact O-CG 3.44Å; V121-L125 PolarHBondContact O-N 3.39Å; V121-L125 VanDerWaalsContact O-N 3.08Å
122	T	46.8	Very low	42.9	Very low	43 Å²	43	100.5 Å²	100.5	26%	0.264	51%	0.511	S	S	.	.	H	α-helix	trans	-64.1	-38.8	173.7	47	0	0	0	0	111.6	L118 Q119 L125 V126 I138	L118-T122 PolarHBondContact O-N 3.16Å; L118-T122 PolarHBondContact O-OG1 3.47Å; L118-T122 VanDerWaalsContact O-OG1 3.12Å; Q119-T122 VanDerWaalsContact C-OG1 3.27Å; Q119-T122 VanDerWaalsContact CA-OG1 3.24Å; Q119-T122 WeakPolarHBondContact CA-OG1 3.41Å; Q119-T122 PolarHBondContact O-N 2.93Å; Q119-T122 PolarHBondContact O-OG1 3.3Å; T122-L125 PolarHBondContact O-N 3.01Å; T122-V126 WeakPolarHBondContact O-CB 3.35Å; T122-V126 WeakPolarHBondContact O-CG2 3.5Å; T122-V126 PolarHBondContact O-N 2.89Å; T122-I138 HydrophobicContact CG2-CD1 3.72Å
123	D	46.3	Very low	44.2	Very low	90 Å²	90	94.4 Å²	94.4	48%	0.481	50%	0.501	S	S	.	.	H	α-helix	trans	-68.6	-38.8	179.1	-65.6	-27.9	0	0	0	112.3	Q119 V121 L125 V126 H127	Q119-D123 PolarHBondContact O-N 3.48Å; Q119-D123 VanDerWaalsContact O-OD2 3.1Å; V121-D123 VanDerWaalsContact C-N 3.34Å; D123-L125 VanDerWaalsContact C-N 3.34Å; D123-L125 PolarHBondContact O-N 3.32Å; D123-V126 PolarHBondContact O-N 3.48Å; D123-H127 WeakPolarHBondContact O-CB 3.42Å; D123-H127 PolarHBondContact O-N 3.14Å
124	L	50.5	Low	45.7	Very low	76 Å²	76	88.6 Å²	88.6	40%	0.398	48%	0.484	S	S	.	.	H	α-helix	trans	-65.7	-35.5	173.3	-164.7	83.9	0	0	0	112.6	Q120 K128	Q120-L124 PolarHBondContact O-N 3.06Å; Q120-L124 VanDerWaalsContact O-N 3.13Å; L124-K128 WeakPolarHBondContact O-CG 3.45Å; L124-K128 PolarHBondContact O-N 3.18Å
125	L	51.2	Low	47.3	Very low	16 Å²	16	90.5 Å²	90.5	8%	0.084	48%	0.476	C	S	.	.	H	α-helix	trans	-76.6	-37.3	178.7	-69.6	166.7	0	0	0	111.6	V121 T122 D123 K128 E129 Y136 I138 A145	V121-L125 HydrophobicContact CG1-CD1 3.74Å; V121-L125 HydrophobicContact CG1-CG 4.44Å; V121-L125 WeakPolarHBondContact O-CB 3.34Å; V121-L125 VanDerWaalsContact O-CD1 3.32Å; V121-L125 WeakPolarHBondContact O-CD1 3.41Å; V121-L125 WeakPolarHBondContact O-CG 3.44Å; V121-L125 PolarHBondContact O-N 3.39Å; V121-L125 VanDerWaalsContact O-N 3.08Å; T122-L125 PolarHBondContact O-N 3.01Å; D123-L125 VanDerWaalsContact C-N 3.34Å; D123-L125 PolarHBondContact O-N 3.32Å; L125-K128 CarbonylContact O-C 3.57Å; L125-K128 PolarHBondContact O-N 3.09Å; L125-E129 WeakPolarHBondContact O-CB 3.34Å; L125-E129 VanDerWaalsContact O-CG 3.31Å; L125-E129 WeakPolarHBondContact O-CG 3.35Å; L125-E129 PolarHBondContact O-N 2.77Å; L125-Y136 HydrophobicContact CD2-CD1 4.29Å; L125-Y136 HydrophobicContact CD2-CD2 3.91Å; L125-Y136 HydrophobicContact CD2-CG 3.78Å; L125-I138 HydrophobicContact CD1-CD1 3.45Å; L125-I138 VanDerWaalsContact CD1-CD1 3.45Å; L125-I138 HydrophobicContact CD1-CG1 3.67Å; L125-A145 HydrophobicContact CD1-CB 3.61Å; L125-A145 HydrophobicContact CD2-CB 3.66Å; L125-A145 HydrophobicContact CG-CB 4.31Å
126	V	52.2	Low	48.7	Very low	76 Å²	76	88.8 Å²	88.8	46%	0.461	46%	0.455	S	S	.	.	H	α-helix	trans	-63.9	-41.6	171	170.6	0	0	0	0	110.3	T122 D123 K128 E129 V130	T122-V126 WeakPolarHBondContact O-CB 3.35Å; T122-V126 WeakPolarHBondContact O-CG2 3.5Å; T122-V126 PolarHBondContact O-N 2.89Å; D123-V126 PolarHBondContact O-N 3.48Å; V126-K128 PolarHBondContact O-N 3.47Å; V126-E129 WeakPolarHBondContact O-CB 3.44Å; V126-E129 PolarHBondContact O-N 3.32Å; V126-V130 VanDerWaalsContact O-CG2 3.27Å; V126-V130 WeakPolarHBondContact O-CG2 3.38Å; V126-V130 PolarHBondContact O-N 3.02Å
127	H	46.8	Very low	51	Low	85 Å²	85	82.5 Å²	82.5	39%	0.394	43%	0.432	S	S	.	.	H	α-helix	trans	-60.4	-44.8	172.6	-176.5	-96.2	0	0	0	111.6	D123 V130 H131	D123-H127 WeakPolarHBondContact O-CB 3.42Å; D123-H127 PolarHBondContact O-N 3.14Å; H127-V130 PolarHBondContact O-N 3.29Å; H127-H131 AromaticContact CD2-CD2 3.81Å; H127-H131 AromaticContact CD2-NE2 3.59Å; H127-H131 AromaticContact CE1-CD2 3.32Å; H127-H131 PolarHBondContact CE1-CD2 3.26Å; H127-H131 AromaticContact CE1-NE2 3.41Å; H127-H131 PolarHBondContact CE1-NE2 3.35Å; H127-H131 AromaticContact CG-CD2 3.82Å; H127-H131 AromaticContact ND1-CD2 3.52Å; H127-H131 AromaticContact ND1-NE2 3.99Å; H127-H131 AromaticContact NE2-CD2 3.51Å; H127-H131 AromaticContact NE2-NE2 3.13Å; H127-H131 PolarHBondContact NE2-NE2 2.94Å; H127-H131 VanDerWaalsContact NE2-NE2 3.13Å; H127-H131 PolarHBondContact O-CD2 3.39Å; H127-H131 PolarHBondContact O-N 2.9Å; H127-H131 VanDerWaalsContact O-N 3.12Å
128	K	49.2	Very low	52.2	Low	94 Å²	94	82.1 Å²	82.1	41%	0.409	43%	0.426	S	S	.	.	H	α-helix	trans	-66.8	-34.7	175.2	-76.6	179.9	178.1	177.7	0	113.2	L124 L125 V126 V130 H131 T132 Y136	L124-K128 WeakPolarHBondContact O-CG 3.45Å; L124-K128 PolarHBondContact O-N 3.18Å; L125-K128 CarbonylContact O-C 3.57Å; L125-K128 PolarHBondContact O-N 3.09Å; V126-K128 PolarHBondContact O-N 3.47Å; K128-V130 VanDerWaalsContact C-N 3.33Å; K128-H131 PolarHBondContact O-N 3.39Å; K128-T132 WeakPolarHBondContact O-CB 3.15Å; K128-T132 PolarHBondContact O-N 3.08Å; K128-T132 PolarHBondContact O-OG1 3.45Å; K128-Y136 HydrophobicContact CB-CE2 4.04Å
129	E	53.8	Low	54	Low	58 Å²	58	77.6 Å²	77.6	27%	0.271	40%	0.403	S	S	.	.	H	α-helix	trans	-61.8	-41.1	173.7	-82.4	179.3	-177.1	0	0	111.7	L125 V126 G133 I134 R135 Y136	L125-E129 WeakPolarHBondContact O-CB 3.34Å; L125-E129 VanDerWaalsContact O-CG 3.31Å; L125-E129 WeakPolarHBondContact O-CG 3.35Å; L125-E129 PolarHBondContact O-N 2.77Å; V126-E129 WeakPolarHBondContact O-CB 3.44Å; V126-E129 PolarHBondContact O-N 3.32Å; E129-G133 VanDerWaalsContact O-CA 3.31Å; E129-G133 WeakPolarHBondContact O-CA 3.37Å; E129-G133 PolarHBondContact O-N 2.83Å; E129-I134 VanDerWaalsContact CG-O 3.24Å; E129-I134 WeakPolarHBondContact CG-O 3.49Å; E129-R135 VanDerWaalsContact OE1-CA 3.32Å; E129-R135 WeakPolarHBondContact OE1-CA 3.44Å; E129-R135 VanDerWaalsContact OE1-CG 3.32Å; E129-R135 WeakPolarHBondContact OE1-CG 2.81Å; E129-Y136 HydrophobicContact CG-CD2 4.31Å; E129-Y136 PolarHBondContact OE1-N 2.84Å
130	V	49.7	Very low	55.7	Low	113 Å²	113	75.8 Å²	75.8	69%	0.685	40%	0.404	S	S	*	.	H	α-helix	trans	-69.9	-32.5	177.7	174	0	0	0	0	112.2	V126 H127 K128	V126-V130 VanDerWaalsContact O-CG2 3.27Å; V126-V130 WeakPolarHBondContact O-CG2 3.38Å; V126-V130 PolarHBondContact O-N 3.02Å; H127-V130 PolarHBondContact O-N 3.29Å; K128-V130 VanDerWaalsContact C-N 3.33Å
131	H	43.6	Very low	57	Low	60 Å²	60	75.3 Å²	75.3	28%	0.278	40%	0.401	S	S	.	.	H	α-helix	trans	-93.5	-27.8	-177.8	-71.2	-60.5	0	0	0	115.5	W28 H127 K128	W28-H131 AromaticContact CE2-CE1 3.89Å; W28-H131 AromaticContact CH2-CE1 3.87Å; W28-H131 AromaticContact CZ2-CE1 3.47Å; W28-H131 VanDerWaalsContact CZ2-CE1 3.47Å; W28-H131 WeakPolarHBondContact CZ2-CE1 3.41Å; W28-H131 AromaticContact CZ2-ND1 3.87Å; H127-H131 AromaticContact CD2-CD2 3.81Å; H127-H131 AromaticContact CD2-NE2 3.59Å; H127-H131 AromaticContact CE1-CD2 3.32Å; H127-H131 PolarHBondContact CE1-CD2 3.26Å; H127-H131 AromaticContact CE1-NE2 3.41Å; H127-H131 PolarHBondContact CE1-NE2 3.35Å; H127-H131 AromaticContact CG-CD2 3.82Å; H127-H131 AromaticContact ND1-CD2 3.52Å; H127-H131 AromaticContact ND1-NE2 3.99Å; H127-H131 AromaticContact NE2-CD2 3.51Å; H127-H131 AromaticContact NE2-NE2 3.13Å; H127-H131 PolarHBondContact NE2-NE2 2.94Å; H127-H131 VanDerWaalsContact NE2-NE2 3.13Å; H127-H131 PolarHBondContact O-CD2 3.39Å; H127-H131 PolarHBondContact O-N 2.9Å; H127-H131 VanDerWaalsContact O-N 3.12Å; K128-H131 PolarHBondContact O-N 3.39Å
132	T	52.2	Low	58.5	Low	75 Å²	75	74.4 Å²	74.4	46%	0.46	40%	0.397	S	S	.	.	H	α-helix	trans	-113.3	-14.1	-175.2	67.7	0	0	0	0	113.7	K128 I134	K128-T132 WeakPolarHBondContact O-CB 3.15Å; K128-T132 PolarHBondContact O-N 3.08Å; K128-T132 PolarHBondContact O-OG1 3.45Å; T132-I134 PolarHBondContact O-N 2.84Å; T132-I134 PolarHBondContact OG1-N 3.34Å
133	G	51.6	Low	59.6	Low	69 Å²	69	73.6 Å²	73.6	71%	0.711	40%	0.398	S	S	*	.			trans	70.5	4.6	-176.6	0	0	0	0	0	114.8	E129	E129-G133 VanDerWaalsContact O-CA 3.31Å; E129-G133 WeakPolarHBondContact O-CA 3.37Å; E129-G133 PolarHBondContact O-N 2.83Å
134	I	57.3	Low	60.8	Low	80 Å²	80	75.2 Å²	75.2	41%	0.41	40%	0.401	S	S	.	.			trans	-97.8	115.4	-178.1	-60.6	172.9	0	0	0	109.2	E129 T132 Y136	E129-I134 VanDerWaalsContact CG-O 3.24Å; E129-I134 WeakPolarHBondContact CG-O 3.49Å; T132-I134 PolarHBondContact O-N 2.84Å; T132-I134 PolarHBondContact OG1-N 3.34Å; I134-Y136 HydrophobicContact CB-CE2 4.47Å; I134-Y136 HydrophobicContact CG2-CE2 4.41Å; I134-Y136 VanDerWaalsContact O-CD2 3.25Å; I134-Y136 WeakPolarHBondContact O-CD2 3.43Å; I134-Y136 WeakPolarHBondContact O-CE2 3.34Å
135	R	62.8	Low	61.9	Low	187 Å²	187	73.5 Å²	73.5	71%	0.706	40%	0.398	S	S	*	.			trans	-73.1	129.9	174.5	-165.4	176.6	-179.4	172.1	-1.1	111.1	E129	E129-R135 VanDerWaalsContact OE1-CA 3.32Å; E129-R135 WeakPolarHBondContact OE1-CA 3.44Å; E129-R135 VanDerWaalsContact OE1-CG 3.32Å; E129-R135 WeakPolarHBondContact OE1-CG 2.81Å
136	Y	70.3	Confident	63.1	Low	60 Å²	60	74.9 Å²	74.9	24%	0.235	40%	0.403	C	S	.	.			trans	-103.5	139.4	179.6	-68.9	-86.9	0	0	0	111.5	L125 K128 E129 I134 A145 F146	L125-Y136 HydrophobicContact CD2-CD1 4.29Å; L125-Y136 HydrophobicContact CD2-CD2 3.91Å; L125-Y136 HydrophobicContact CD2-CG 3.78Å; K128-Y136 HydrophobicContact CB-CE2 4.04Å; E129-Y136 HydrophobicContact CG-CD2 4.31Å; E129-Y136 PolarHBondContact OE1-N 2.84Å; I134-Y136 HydrophobicContact CB-CE2 4.47Å; I134-Y136 HydrophobicContact CG2-CE2 4.41Å; I134-Y136 VanDerWaalsContact O-CD2 3.25Å; I134-Y136 WeakPolarHBondContact O-CD2 3.43Å; I134-Y136 WeakPolarHBondContact O-CE2 3.34Å; Y136-A145 HydrophobicContact CD1-CB 4.49Å; Y136-F146 CarbonylContact C-O 3.58Å; Y136-F146 WeakPolarHBondContact CA-O 3.48Å
137	H	74.8	Confident	64.2	Low	54 Å²	54	74 Å²	74	25%	0.25	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122.4	176.1	-58.9	-83.8	0	0	0	109.7	A145 F146 I149 L152	H137-A145 CarbonylContact O-C 3.53Å; H137-A145 WeakPolarHBondContact O-CA 3.41Å; H137-F146 PolarHBondContact N-O 3.05Å; H137-F146 PolarHBondContact O-N 3.5Å; H137-I149 PolarHBondContact CD2-N 3.47Å; H137-I149 VanDerWaalsContact CD2-N 3.27Å; H137-L152 HydrophobicContact CB-CB 4.1Å; H137-L152 HydrophobicContact CB-CD2 3.59Å; H137-L152 HydrophobicContact CB-CG 4.44Å
138	I	70.7	Confident	65.5	Low	50 Å²	50	75.1 Å²	75.1	26%	0.256	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.8	-174.1	-54.1	172.3	0	0	0	110.1	T122 L125 S140 K144 A145	T122-I138 HydrophobicContact CG2-CD1 3.72Å; L125-I138 HydrophobicContact CD1-CD1 3.45Å; L125-I138 VanDerWaalsContact CD1-CD1 3.45Å; L125-I138 HydrophobicContact CD1-CG1 3.67Å; I138-S140 PolarHBondContact O-N 3.14Å; I138-K144 CarbonylContact C-O 3.53Å; I138-K144 WeakPolarHBondContact CA-O 3.48Å; I138-A145 HydrophobicContact CG1-CB 4.4Å
139	C	77.5	Confident	66.8	Low	0 Å²	0	75.1 Å²	75.1	0%	0	41%	0.409	C	S	.	.			trans	-76.4	116.6	171.9	-173.9	0	0	0	0	111	H141 C142 G143 K144 F146 L152 H155	C139-H141 PolarHBondContact O-N 3.14Å; C139-C142 PolarHBondContact O-N 2.89Å; C139-G143 WeakPolarHBondContact O-CA 3.4Å; C139-G143 PolarHBondContact O-N 3.02Å; C139-K144 PolarHBondContact N-O 3.42Å; C139-F146 HydrophobicContact CB-CE2 4.37Å; C139-L152 VanDerWaalsContact CA-CD1 3.48Å; C139-L152 HydrophobicContact CB-CD1 3.51Å; C139-H155 VanDerWaalsContact SG-CD2 3.56Å; C139-H155 PolarHBondContact SG-NE2 3.48Å
140	S	74.1	Confident	67.9	Low	86 Å²	86	75 Å²	75	60%	0.601	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-26.9	177.8	49.6	0	0	0	0	114.1	I138	I138-S140 PolarHBondContact O-N 3.14Å
141	H	69.9	Low	69.3	Low	138 Å²	138	71.2 Å²	71.2	64%	0.639	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-23.7	-177.7	-70.1	-72.3	0	0	0	114.8	C139	C139-H141 PolarHBondContact O-N 3.14Å
142	C	76.8	Confident	70.9	Confident	52 Å²	52	69 Å²	69	35%	0.351	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.9	11.1	-174.9	80.1	0	0	0	0	115.1	C139 K144 H155 H159	C139-C142 PolarHBondContact O-N 2.89Å; C142-K144 PolarHBondContact O-N 3.16Å; C142-H155 PolarHBondContact SG-NE2 3.29Å; C142-H159 PolarHBondContact SG-NE2 3.41Å; C142-H159 VanDerWaalsContact SG-NE2 3.43Å
143	G	70.3	Confident	72.1	Confident	27 Å²	27	69.1 Å²	69.1	28%	0.278	38%	0.379	S	S	.	.			trans	67.5	5.4	174.4	0	0	0	0	0	116	C139	C139-G143 WeakPolarHBondContact O-CA 3.4Å; C139-G143 PolarHBondContact O-N 3.02Å
144	K	71.6	Confident	73.4	Confident	123 Å²	123	70.2 Å²	70.2	54%	0.535	36%	0.362	S	S	.	.			trans	-72.9	130.9	-179	-74.2	180	-178.1	176.5	0	111	I138 C139 C142 F146	I138-K144 CarbonylContact C-O 3.53Å; I138-K144 WeakPolarHBondContact CA-O 3.48Å; C139-K144 PolarHBondContact N-O 3.42Å; C142-K144 PolarHBondContact O-N 3.16Å; K144-F146 HydrophobicContact CB-CE2 3.65Å; K144-F146 HydrophobicContact CB-CZ 3.85Å; K144-F146 WeakPolarHBondContact O-CD2 3.4Å; K144-F146 VanDerWaalsContact O-CE2 3.3Å; K144-F146 WeakPolarHBondContact O-CE2 3.3Å
145	A	73.3	Confident	74.4	Confident	41 Å²	41	67.5 Å²	67.5	34%	0.339	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.3	178.6	0	0	0	0	0	111.9	L125 Y136 H137 I138	L125-A145 HydrophobicContact CD1-CB 3.61Å; L125-A145 HydrophobicContact CD2-CB 3.66Å; L125-A145 HydrophobicContact CG-CB 4.31Å; Y136-A145 HydrophobicContact CD1-CB 4.49Å; H137-A145 CarbonylContact O-C 3.53Å; H137-A145 WeakPolarHBondContact O-CA 3.41Å; I138-A145 HydrophobicContact CG1-CB 4.4Å
146	F	75.9	Confident	75.1	Confident	44 Å²	44	61.5 Å²	61.5	19%	0.193	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136.2	-178.9	-60.8	-87.9	0	0	0	109.6	Y136 H137 C139 K144 Q148 D151 L152 H155	Y136-F146 CarbonylContact C-O 3.58Å; Y136-F146 WeakPolarHBondContact CA-O 3.48Å; H137-F146 PolarHBondContact N-O 3.05Å; H137-F146 PolarHBondContact O-N 3.5Å; C139-F146 HydrophobicContact CB-CE2 4.37Å; K144-F146 HydrophobicContact CB-CE2 3.65Å; K144-F146 HydrophobicContact CB-CZ 3.85Å; K144-F146 WeakPolarHBondContact O-CD2 3.4Å; K144-F146 VanDerWaalsContact O-CE2 3.3Å; K144-F146 WeakPolarHBondContact O-CE2 3.3Å; F146-Q148 PolarHBondContact O-N 3.02Å; F146-D151 HydrophobicContact CB-CB 4.11Å; F146-D151 HydrophobicContact CD1-CB 3.83Å; F146-D151 HydrophobicContact CG-CB 4.27Å; F146-L152 HydrophobicContact CB-CB 4.13Å; F146-L152 HydrophobicContact CD2-CB 3.81Å; F146-L152 HydrophobicContact CD2-CD1 3.67Å; F146-L152 HydrophobicContact CD2-CG 4.34Å; F146-L152 HydrophobicContact CE2-CD1 3.85Å; F146-L152 HydrophobicContact CG-CB 4.12Å; F146-H155 HydrophobicContact CE1-CB 3.93Å; F146-H155 HydrophobicContact CE2-CB 3.89Å; F146-H155 AromaticContact CE2-CD2 3.36Å; F146-H155 WeakPolarHBondContact CE2-CD2 3.47Å; F146-H155 AromaticContact CE2-CG 3.72Å; F146-H155 HydrophobicContact CZ-CB 3.41Å; F146-H155 VanDerWaalsContact CZ-CB 3.41Å; F146-H155 AromaticContact CZ-CD2 3.4Å; F146-H155 WeakPolarHBondContact CZ-CD2 3.46Å; F146-H155 AromaticContact CZ-CG 3.28Å
147	S	75.3	Confident	75.5	Confident	58 Å²	58	62.3 Å²	62.3	41%	0.406	33%	0.332	S	S	.	.	S	Bend	trans	-72.6	-12.4	177.4	50.4	0	0	0	0	113.5
148	Q	75.8	Confident	75.5	Confident	109 Å²	109	63.6 Å²	63.6	51%	0.509	34%	0.344	S	S	.	.	S	Bend	trans	-131.8	140.5	177	-58	-174.3	15.9	0	0	111	F146 S150 D151 L152	F146-Q148 PolarHBondContact O-N 3.02Å; Q148-S150 VanDerWaalsContact C-N 3.25Å; Q148-S150 PolarHBondContact O-N 3.47Å; Q148-S150 PolarHBondContact OE1-OG 3.08Å; Q148-D151 HydrophobicContact CB-CB 4.43Å; Q148-D151 WeakPolarHBondContact O-CB 3.34Å; Q148-D151 PolarHBondContact O-N 2.97Å; Q148-D151 VanDerWaalsContact O-N 3.16Å; Q148-L152 PolarHBondContact O-N 3.34Å
149	I	76.1	Confident	75.7	Confident	93 Å²	93	65.1 Å²	65.1	48%	0.477	35%	0.349	S	S	.	.	H	α-helix	trans	-64.9	-30.6	177.4	-160.1	160.3	0	0	0	112.5	H137 D151 L152 N153	H137-I149 PolarHBondContact CD2-N 3.47Å; H137-I149 VanDerWaalsContact CD2-N 3.27Å; I149-D151 VanDerWaalsContact C-N 3.3Å; I149-D151 PolarHBondContact O-N 3.05Å; I149-L152 PolarHBondContact O-N 3.43Å; I149-N153 WeakPolarHBondContact O-CB 3.34Å; I149-N153 PolarHBondContact O-N 3.24Å; I149-N153 PolarHBondContact O-ND2 3.15Å
150	S	76.6	Confident	75.6	Confident	57 Å²	57	69.9 Å²	69.9	40%	0.399	38%	0.379	S	S	.	.	H	α-helix	trans	-61.8	-37.5	174.3	57.1	0	0	0	0	112.1	Q148 R154	Q148-S150 VanDerWaalsContact C-N 3.25Å; Q148-S150 PolarHBondContact O-N 3.47Å; Q148-S150 PolarHBondContact OE1-OG 3.08Å; S150-R154 WeakPolarHBondContact O-CB 3.29Å; S150-R154 PolarHBondContact O-N 3.44Å
151	D	78.3	Confident	75.6	Confident	33 Å²	33	67.9 Å²	67.9	18%	0.176	37%	0.372	C	S	.	.	H	α-helix	trans	-73.4	-38.9	177.6	-67.3	-32.6	0	0	0	111.5	F146 Q148 I149 R154 H155	F146-D151 HydrophobicContact CB-CB 4.11Å; F146-D151 HydrophobicContact CD1-CB 3.83Å; F146-D151 HydrophobicContact CG-CB 4.27Å; Q148-D151 HydrophobicContact CB-CB 4.43Å; Q148-D151 WeakPolarHBondContact O-CB 3.34Å; Q148-D151 PolarHBondContact O-N 2.97Å; Q148-D151 VanDerWaalsContact O-N 3.16Å; I149-D151 VanDerWaalsContact C-N 3.3Å; I149-D151 PolarHBondContact O-N 3.05Å; D151-R154 IonicContact OD1-CZ 3.77Å; D151-R154 IonicContact OD1-NH1 3.68Å; D151-R154 PolarHBondContact OD1-NH1 2.65Å; D151-R154 IonicContact OD1-NH2 2.81Å; D151-R154 PolarHBondContact OD1-NH2 2.88Å; D151-H155 WeakPolarHBondContact O-CB 3.44Å; D151-H155 PolarHBondContact O-N 3.32Å
152	L	78.1	Confident	76	Confident	13 Å²	13	64.5 Å²	64.5	7%	0.068	36%	0.358	C	S	.	.	H	α-helix	trans	-62.3	-51	171.6	173.3	61.3	0	0	0	111.3	H137 C139 F146 Q148 I149 R154 H155 Q156	H137-L152 HydrophobicContact CB-CB 4.1Å; H137-L152 HydrophobicContact CB-CD2 3.59Å; H137-L152 HydrophobicContact CB-CG 4.44Å; C139-L152 VanDerWaalsContact CA-CD1 3.48Å; C139-L152 HydrophobicContact CB-CD1 3.51Å; F146-L152 HydrophobicContact CB-CB 4.13Å; F146-L152 HydrophobicContact CD2-CB 3.81Å; F146-L152 HydrophobicContact CD2-CD1 3.67Å; F146-L152 HydrophobicContact CD2-CG 4.34Å; F146-L152 HydrophobicContact CE2-CD1 3.85Å; F146-L152 HydrophobicContact CG-CB 4.12Å; Q148-L152 PolarHBondContact O-N 3.34Å; I149-L152 PolarHBondContact O-N 3.43Å; L152-R154 VanDerWaalsContact C-N 3.26Å; L152-R154 PolarHBondContact O-N 3.14Å; L152-H155 CarbonylContact O-C 3.42Å; L152-H155 WeakPolarHBondContact O-CA 3.34Å; L152-H155 WeakPolarHBondContact O-CB 3.45Å; L152-H155 PolarHBondContact O-N 2.9Å; L152-Q156 HydrophobicContact CD1-CG 4.15Å; L152-Q156 HydrophobicContact CG-CG 4.44Å; L152-Q156 WeakPolarHBondContact O-CG 3.47Å; L152-Q156 PolarHBondContact O-N 3.43Å
153	N	77.6	Confident	76.2	Confident	78 Å²	78	69.2 Å²	69.2	42%	0.417	37%	0.369	S	S	.	.	H	α-helix	trans	-58.9	-40.3	179.5	-72.1	-15.3	0	0	0	111.2	I149 H155 Q156 K157	I149-N153 WeakPolarHBondContact O-CB 3.34Å; I149-N153 PolarHBondContact O-N 3.24Å; I149-N153 PolarHBondContact O-ND2 3.15Å; N153-H155 VanDerWaalsContact C-N 3.31Å; N153-H155 PolarHBondContact O-N 2.76Å; N153-Q156 PolarHBondContact O-N 3.02Å; N153-Q156 PolarHBondContact OD1-OE1 3.34Å; N153-K157 PolarHBondContact O-N 2.81Å
154	R	78.5	Confident	76.8	Confident	92 Å²	92	71 Å²	71	35%	0.347	38%	0.375	S	S	.	.	H	α-helix	trans	-67.1	-32.7	175	-173.1	177.1	71.7	-147.4	-1	112.8	S150 D151 L152 R176	S150-R154 WeakPolarHBondContact O-CB 3.29Å; S150-R154 PolarHBondContact O-N 3.44Å; D151-R154 IonicContact OD1-CZ 3.77Å; D151-R154 IonicContact OD1-NH1 3.68Å; D151-R154 PolarHBondContact OD1-NH1 2.65Å; D151-R154 IonicContact OD1-NH2 2.81Å; D151-R154 PolarHBondContact OD1-NH2 2.88Å; L152-R154 VanDerWaalsContact C-N 3.26Å; L152-R154 PolarHBondContact O-N 3.14Å; R154-R176 VanDerWaalsContact CD-NE 3.28Å
155	H	78.5	Confident	77.5	Confident	23 Å²	23	69.8 Å²	69.8	11%	0.106	37%	0.368	C	S	.	.	H	α-helix	trans	-73.2	-38.7	173.6	168.8	59.3	0	0	0	111.8	C139 C142 F146 D151 L152 N153 K157 T158 H159	C139-H155 VanDerWaalsContact SG-CD2 3.56Å; C139-H155 PolarHBondContact SG-NE2 3.48Å; C142-H155 PolarHBondContact SG-NE2 3.29Å; F146-H155 HydrophobicContact CE1-CB 3.93Å; F146-H155 HydrophobicContact CE2-CB 3.89Å; F146-H155 AromaticContact CE2-CD2 3.36Å; F146-H155 WeakPolarHBondContact CE2-CD2 3.47Å; F146-H155 AromaticContact CE2-CG 3.72Å; F146-H155 HydrophobicContact CZ-CB 3.41Å; F146-H155 VanDerWaalsContact CZ-CB 3.41Å; F146-H155 AromaticContact CZ-CD2 3.4Å; F146-H155 WeakPolarHBondContact CZ-CD2 3.46Å; F146-H155 AromaticContact CZ-CG 3.28Å; D151-H155 WeakPolarHBondContact O-CB 3.44Å; D151-H155 PolarHBondContact O-N 3.32Å; L152-H155 CarbonylContact O-C 3.42Å; L152-H155 WeakPolarHBondContact O-CA 3.34Å; L152-H155 WeakPolarHBondContact O-CB 3.45Å; L152-H155 PolarHBondContact O-N 2.9Å; N153-H155 VanDerWaalsContact C-N 3.31Å; N153-H155 PolarHBondContact O-N 2.76Å; H155-K157 PolarHBondContact O-N 3.37Å; H155-T158 WeakPolarHBondContact O-CB 3.41Å; H155-T158 PolarHBondContact O-N 2.76Å; H155-T158 PolarHBondContact O-OG1 3.38Å; H155-H159 AromaticContact CE1-NE2 3.34Å; H155-H159 PolarHBondContact CE1-NE2 3.5Å; H155-H159 VanDerWaalsContact CE1-NE2 3.34Å; H155-H159 AromaticContact NE2-CD2 3.82Å; H155-H159 AromaticContact NE2-NE2 3.1Å; H155-H159 PolarHBondContact NE2-NE2 3.46Å
156	Q	76.7	Confident	78	Confident	61 Å²	61	74.4 Å²	74.4	29%	0.285	38%	0.38	S	S	.	.	H	α-helix	trans	-58.8	-33	176.5	-74.6	174.2	-35.2	0	0	112.6	L152 N153 T158 H159 T160	L152-Q156 HydrophobicContact CD1-CG 4.15Å; L152-Q156 HydrophobicContact CG-CG 4.44Å; L152-Q156 WeakPolarHBondContact O-CG 3.47Å; L152-Q156 PolarHBondContact O-N 3.43Å; N153-Q156 PolarHBondContact O-N 3.02Å; N153-Q156 PolarHBondContact OD1-OE1 3.34Å; Q156-T158 PolarHBondContact O-N 3.23Å; Q156-T158 VanDerWaalsContact O-N 3.08Å; Q156-H159 WeakPolarHBondContact O-CB 3.42Å; Q156-H159 PolarHBondContact O-N 3.14Å; Q156-T160 PolarHBondContact O-N 3.34Å
157	K	78.6	Confident	78.6	Confident	76 Å²	76	72.4 Å²	72.4	33%	0.33	37%	0.372	S	S	.	.	H	α-helix	trans	-58.9	-19.2	172.2	-64	-174.6	-176.7	-159.6	0	114.3	N153 H155 G161 D162	N153-K157 PolarHBondContact O-N 2.81Å; H155-K157 PolarHBondContact O-N 3.37Å; K157-G161 PolarHBondContact O-N 2.75Å; K157-D162 PolarHBondContact O-N 2.82Å
158	T	74.8	Confident	79.1	Confident	82 Å²	82	80.2 Å²	80.2	50%	0.503	39%	0.394	S	S	.	.	H	α-helix	trans	-77.8	-24.4	174.1	68.2	0	0	0	0	112.9	H155 Q156	H155-T158 WeakPolarHBondContact O-CB 3.41Å; H155-T158 PolarHBondContact O-N 2.76Å; H155-T158 PolarHBondContact O-OG1 3.38Å; Q156-T158 PolarHBondContact O-N 3.23Å; Q156-T158 VanDerWaalsContact O-N 3.08Å
159	H	76	Confident	79.4	Confident	81 Å²	81	81.4 Å²	81.4	38%	0.375	40%	0.4	S	S	.	.	H	α-helix	trans	-84.7	-40.3	176.9	-63.9	-57.1	0	0	0	111.6	C142 H155 Q156 G161	C142-H159 PolarHBondContact SG-NE2 3.41Å; C142-H159 VanDerWaalsContact SG-NE2 3.43Å; H155-H159 AromaticContact CE1-NE2 3.34Å; H155-H159 PolarHBondContact CE1-NE2 3.5Å; H155-H159 VanDerWaalsContact CE1-NE2 3.34Å; H155-H159 AromaticContact NE2-CD2 3.82Å; H155-H159 AromaticContact NE2-NE2 3.1Å; H155-H159 PolarHBondContact NE2-NE2 3.46Å; Q156-H159 WeakPolarHBondContact O-CB 3.42Å; Q156-H159 PolarHBondContact O-N 3.14Å; H159-G161 PolarHBondContact O-N 2.86Å
160	T	75.7	Confident	79.9	Confident	100 Å²	100	79.5 Å²	79.5	61%	0.613	39%	0.394	S	S	*	.	S	Bend	trans	-77	-8.4	179.1	60.4	0	0	0	0	113.6	Q156 D162	Q156-T160 PolarHBondContact O-N 3.34Å; T160-D162 PolarHBondContact O-N 3.1Å; T160-D162 VanDerWaalsContact O-N 3.16Å; T160-D162 WeakPolarHBondContact OG1-CB 3.34Å
161	G	73.6	Confident	80.1	Confident	44 Å²	44	79.6 Å²	79.6	45%	0.454	40%	0.404	S	S	.	.			trans	67.2	9.5	-175.6	0	0	0	0	0	114	K157 H159 R163	K157-G161 PolarHBondContact O-N 2.75Å; H159-G161 PolarHBondContact O-N 2.86Å; G161-R163 WeakPolarHBondContact O-CG 3.49Å; G161-R163 PolarHBondContact O-N 3.17Å
162	D	78.1	Confident	80.4	Confident	68 Å²	68	84 Å²	84	36%	0.364	42%	0.421	S	S	.	.			trans	-62.2	118.4	-178.7	-179.5	25.6	0	0	0	110.7	K157 T160 P164	K157-D162 PolarHBondContact O-N 2.82Å; T160-D162 PolarHBondContact O-N 3.1Å; T160-D162 VanDerWaalsContact O-N 3.16Å; T160-D162 WeakPolarHBondContact OG1-CB 3.34Å; D162-P164 WeakPolarHBondContact O-CD 3.4Å; D162-P164 WeakPolarHBondContact OD1-CD 3.45Å; D162-P164 WeakPolarHBondContact OD1-CG 3.34Å
163	R	81.8	Confident	80.7	Confident	151 Å²	151	84.1 Å²	84.1	57%	0.57	43%	0.426	S	S	*	.			trans	-127.5	73.5	-176.4	-74	170.3	-179.7	-169.5	6.6	109.5	G161 Y165 G173 F174	G161-R163 WeakPolarHBondContact O-CG 3.49Å; G161-R163 PolarHBondContact O-N 3.17Å; R163-Y165 PolarHBondContact O-N 3.43Å; R163-G173 WeakPolarHBondContact CD-O 3.25Å; R163-F174 CarbonylContact C-O 3.23Å; R163-F174 WeakPolarHBondContact CA-O 3.47Å
164	P	82.9	Confident	81.1	Confident	64 Å²	64	82.3 Å²	82.3	42%	0.416	41%	0.414	S	S	.	.			trans	-63.9	-27.9	-174.2	-21	32.6	0	0	0	113	D162	D162-P164 WeakPolarHBondContact O-CD 3.4Å; D162-P164 WeakPolarHBondContact OD1-CD 3.45Å; D162-P164 WeakPolarHBondContact OD1-CG 3.34Å
165	Y	84.9	Confident	81.3	Confident	98 Å²	98	79.4 Å²	79.4	38%	0.384	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	101.9	-173.1	-55.8	-77.1	0	0	0	110.1	R163 G173 F174 R176 S177	R163-Y165 PolarHBondContact O-N 3.43Å; Y165-G173 CarbonylContact O-C 3.3Å; Y165-G173 WeakPolarHBondContact O-CA 3.46Å; Y165-F174 PolarHBondContact N-O 3.16Å; Y165-F174 VanDerWaalsContact N-O 3.15Å; Y165-F174 PolarHBondContact O-N 3.39Å; Y165-R176 VanDerWaalsContact CD2-C 3.4Å; Y165-S177 VanDerWaalsContact CD2-N 3.29Å
166	K	84.6	Confident	81.4	Confident	137 Å²	137	82.5 Å²	82.5	60%	0.596	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.6	-178.4	-63.1	179.8	-177	176.4	0	111.7
167	C	89	Confident	81.8	Confident	2 Å²	2	82.1 Å²	82.1	1%	0.014	42%	0.423	C	S	.	.			trans	-81.8	120.2	170.4	-178.6	0	0	0	0	109.5	E169 C170 G171 K172 F174 L180 H187	C167-E169 VanDerWaalsContact C-N 3.29Å; C167-E169 PolarHBondContact O-N 3.02Å; C167-C170 VanDerWaalsContact SG-SG 3.63Å; C167-G171 WeakPolarHBondContact O-CA 3.42Å; C167-G171 PolarHBondContact O-N 2.79Å; C167-K172 WeakPolarHBondContact CB-O 3.38Å; C167-K172 PolarHBondContact N-O 3.17Å; C167-F174 HydrophobicContact CB-CE2 4.32Å; C167-L180 HydrophobicContact CB-CD1 3.58Å; C167-H187 PolarHBondContact SG-NE2 3.31Å; C167-H187 VanDerWaalsContact SG-NE2 3.39Å
168	Y	85	Confident	82.1	Confident	223 Å²	223	81.8 Å²	81.8	88%	0.875	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-24.7	-179.7	-65.8	-71.2	0	0	0	113.7
169	E	83.2	Confident	82.5	Confident	134 Å²	134	81.5 Å²	81.5	63%	0.626	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-31.1	-177	-66.8	175.3	167.6	0	0	113.6	C167 H187	C167-E169 VanDerWaalsContact C-N 3.29Å; C167-E169 PolarHBondContact O-N 3.02Å; E169-H187 WeakPolarHBondContact OE2-CB 3.28Å; E169-H187 IonicContact OE2-CD2 3.33Å; E169-H187 PolarHBondContact OE2-CD2 3.23Å; E169-H187 IonicContact OE2-CG 3.14Å; E169-H187 IonicContact OE2-NE2 3.03Å
170	C	84.9	Confident	83	Confident	53 Å²	53	78.6 Å²	78.6	36%	0.358	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	3.5	-176.2	75.5	0	0	0	0	114.4	C167 K172 H183	C167-C170 VanDerWaalsContact SG-SG 3.63Å; C170-K172 PolarHBondContact O-N 3.28Å; C170-K172 VanDerWaalsContact O-N 3.11Å; C170-K172 VanDerWaalsContact SG-CG 3.6Å; C170-H183 PolarHBondContact SG-NE2 2.88Å
171	G	82.3	Confident	83.4	Confident	58 Å²	58	78.1 Å²	78.1	60%	0.598	40%	0.403	S	S	*	.			trans	71	-1.9	179.4	0	0	0	0	0	115.7	C167 G173	C167-G171 WeakPolarHBondContact O-CA 3.42Å; C167-G171 PolarHBondContact O-N 2.79Å; G171-G173 PolarHBondContact O-N 3.48Å
172	K	83.9	Confident	84	Confident	126 Å²	126	78.8 Å²	78.8	55%	0.548	39%	0.394	S	S	.	.			trans	-68.1	127.3	-177	-72.4	-179.3	-179.3	178	0	111.8	C167 C170 F174	C167-K172 WeakPolarHBondContact CB-O 3.38Å; C167-K172 PolarHBondContact N-O 3.17Å; C170-K172 PolarHBondContact O-N 3.28Å; C170-K172 VanDerWaalsContact O-N 3.11Å; C170-K172 VanDerWaalsContact SG-CG 3.6Å; K172-F174 HydrophobicContact CB-CE2 3.87Å; K172-F174 HydrophobicContact CB-CZ 4.01Å; K172-F174 WeakPolarHBondContact O-CD2 3.22Å; K172-F174 VanDerWaalsContact O-CE2 3.27Å; K172-F174 WeakPolarHBondContact O-CE2 3.4Å
173	G	84.7	Confident	84.3	Confident	16 Å²	16	76.7 Å²	76.7	17%	0.165	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	144.6	175.1	0	0	0	0	0	113.4	R163 Y165 G171	R163-G173 WeakPolarHBondContact CD-O 3.25Å; Y165-G173 CarbonylContact O-C 3.3Å; Y165-G173 WeakPolarHBondContact O-CA 3.46Å; G171-G173 PolarHBondContact O-N 3.48Å
174	F	84.8	Confident	84.4	Confident	39 Å²	39	73 Å²	73	17%	0.171	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.4	179.6	-59.8	-89.5	0	0	0	110.5	R163 Y165 C167 K172 R176 H179 L180 H183	R163-F174 CarbonylContact C-O 3.23Å; R163-F174 WeakPolarHBondContact CA-O 3.47Å; Y165-F174 PolarHBondContact N-O 3.16Å; Y165-F174 VanDerWaalsContact N-O 3.15Å; Y165-F174 PolarHBondContact O-N 3.39Å; C167-F174 HydrophobicContact CB-CE2 4.32Å; K172-F174 HydrophobicContact CB-CE2 3.87Å; K172-F174 HydrophobicContact CB-CZ 4.01Å; K172-F174 WeakPolarHBondContact O-CD2 3.22Å; K172-F174 VanDerWaalsContact O-CE2 3.27Å; K172-F174 WeakPolarHBondContact O-CE2 3.4Å; F174-R176 VanDerWaalsContact C-N 3.25Å; F174-R176 PolarHBondContact O-N 3.06Å; F174-H179 HydrophobicContact CB-CB 4.28Å; F174-H179 HydrophobicContact CD1-CB 3.86Å; F174-H179 HydrophobicContact CG-CB 4.35Å; F174-L180 HydrophobicContact CB-CB 4.21Å; F174-L180 HydrophobicContact CD2-CB 3.8Å; F174-L180 HydrophobicContact CD2-CD1 3.66Å; F174-L180 HydrophobicContact CD2-CG 4.32Å; F174-L180 HydrophobicContact CE2-CD1 3.81Å; F174-L180 HydrophobicContact CG-CB 4.13Å; F174-H183 HydrophobicContact CE1-CB 3.81Å; F174-H183 HydrophobicContact CE2-CB 3.86Å; F174-H183 AromaticContact CE2-CD2 3.36Å; F174-H183 WeakPolarHBondContact CE2-CD2 3.47Å; F174-H183 AromaticContact CE2-CG 3.73Å; F174-H183 HydrophobicContact CZ-CB 3.33Å; F174-H183 AromaticContact CZ-CD2 3.29Å; F174-H183 WeakPolarHBondContact CZ-CD2 3.4Å; F174-H183 AromaticContact CZ-CG 3.21Å; F174-H183 AromaticContact CZ-ND1 3.99Å
175	S	82.9	Confident	84.6	Confident	31 Å²	31	73 Å²	73	22%	0.217	36%	0.363	C	S	.	.	S	Bend	trans	-76.9	-11.2	175.7	56.1	0	0	0	0	113.4
176	R	82.1	Confident	84.5	Confident	88 Å²	88	73 Å²	73	33%	0.332	37%	0.373	S	S	.	.	S	Bend	trans	-138	140.1	179.1	-57.1	-175.6	-168.3	-176.8	2.1	110.9	R154 Y165 F174 S178 H179 L180	R154-R176 VanDerWaalsContact CD-NE 3.28Å; Y165-R176 VanDerWaalsContact CD2-C 3.4Å; F174-R176 VanDerWaalsContact C-N 3.25Å; F174-R176 PolarHBondContact O-N 3.06Å; R176-S178 VanDerWaalsContact C-N 3.33Å; R176-S178 PolarHBondContact O-N 3.46Å; R176-H179 HydrophobicContact CB-CB 4.41Å; R176-H179 PolarHBondContact O-N 3.05Å; R176-L180 PolarHBondContact O-N 3.14Å
177	S	84.5	Confident	84.5	Confident	54 Å²	54	70 Å²	70	38%	0.378	36%	0.361	S	S	.	.	H	α-helix	trans	-60.9	-39.4	175.7	56.7	0	0	0	0	112.4	Y165 H179 L180 I181	Y165-S177 VanDerWaalsContact CD2-N 3.29Å; S177-H179 VanDerWaalsContact C-N 3.26Å; S177-H179 PolarHBondContact O-N 2.84Å; S177-L180 WeakPolarHBondContact O-CB 3.09Å; S177-L180 PolarHBondContact O-N 3.35Å; S177-L180 VanDerWaalsContact O-N 3.08Å; S177-I181 WeakPolarHBondContact O-CG1 3.22Å; S177-I181 PolarHBondContact O-N 3.32Å
178	S	83.8	Confident	84.2	Confident	68 Å²	68	73.9 Å²	73.9	48%	0.476	39%	0.385	S	S	.	.	H	α-helix	trans	-61.6	-33.5	177.1	59.3	0	0	0	0	113.1	R176 Q182	R176-S178 VanDerWaalsContact C-N 3.33Å; R176-S178 PolarHBondContact O-N 3.46Å; S178-Q182 VanDerWaalsContact O-CB 3.28Å; S178-Q182 WeakPolarHBondContact O-CB 3.01Å; S178-Q182 PolarHBondContact O-N 3.45Å
179	H	84.9	Confident	84.1	Confident	76 Å²	76	65.6 Å²	65.6	35%	0.352	37%	0.367	S	S	.	.	H	α-helix	trans	-73.1	-36.3	174.2	-65.6	173.1	0	0	0	111.8	F174 R176 S177 H183	F174-H179 HydrophobicContact CB-CB 4.28Å; F174-H179 HydrophobicContact CD1-CB 3.86Å; F174-H179 HydrophobicContact CG-CB 4.35Å; R176-H179 HydrophobicContact CB-CB 4.41Å; R176-H179 PolarHBondContact O-N 3.05Å; S177-H179 VanDerWaalsContact C-N 3.26Å; S177-H179 PolarHBondContact O-N 2.84Å; H179-H183 WeakPolarHBondContact O-CB 3.36Å; H179-H183 PolarHBondContact O-N 3.22Å
180	L	86.3	Confident	84.2	Confident	21 Å²	21	64.6 Å²	64.6	11%	0.11	36%	0.363	C	S	.	.	H	α-helix	trans	-63.7	-49	172.4	172.4	62.4	0	0	0	111.3	C167 F174 R176 S177 Q182 H183 Q184	C167-L180 HydrophobicContact CB-CD1 3.58Å; F174-L180 HydrophobicContact CB-CB 4.21Å; F174-L180 HydrophobicContact CD2-CB 3.8Å; F174-L180 HydrophobicContact CD2-CD1 3.66Å; F174-L180 HydrophobicContact CD2-CG 4.32Å; F174-L180 HydrophobicContact CE2-CD1 3.81Å; F174-L180 HydrophobicContact CG-CB 4.13Å; R176-L180 PolarHBondContact O-N 3.14Å; S177-L180 WeakPolarHBondContact O-CB 3.09Å; S177-L180 PolarHBondContact O-N 3.35Å; S177-L180 VanDerWaalsContact O-N 3.08Å; L180-Q182 VanDerWaalsContact C-N 3.28Å; L180-Q182 PolarHBondContact O-N 2.89Å; L180-H183 CarbonylContact O-C 3.54Å; L180-H183 WeakPolarHBondContact O-CA 2.87Å; L180-H183 WeakPolarHBondContact O-CB 3.45Å; L180-H183 PolarHBondContact O-N 3.44Å; L180-Q184 HydrophobicContact CD1-CG 4.18Å; L180-Q184 HydrophobicContact CG-CG 4.5Å; L180-Q184 WeakPolarHBondContact O-CG 3.3Å; L180-Q184 PolarHBondContact O-N 3.08Å
181	I	84.3	Confident	84.2	Confident	89 Å²	89	69.1 Å²	69.1	46%	0.456	37%	0.372	S	S	.	.	H	α-helix	trans	-58.6	-43.7	177.9	-67.3	166.7	0	0	0	110.3	S177 H183 Q184 R185	S177-I181 WeakPolarHBondContact O-CG1 3.22Å; S177-I181 PolarHBondContact O-N 3.32Å; I181-H183 VanDerWaalsContact C-N 3.3Å; I181-H183 PolarHBondContact O-N 2.76Å; I181-Q184 PolarHBondContact O-N 3.24Å; I181-R185 PolarHBondContact O-N 3.14Å
182	Q	84.4	Confident	84.5	Confident	59 Å²	59	69.4 Å²	69.4	28%	0.276	36%	0.364	S	S	.	.	H	α-helix	trans	-64.5	-35.3	175.4	-176.5	-178.5	74.2	0	0	112.7	S178 L180 R185 R204	S178-Q182 VanDerWaalsContact O-CB 3.28Å; S178-Q182 WeakPolarHBondContact O-CB 3.01Å; S178-Q182 PolarHBondContact O-N 3.45Å; L180-Q182 VanDerWaalsContact C-N 3.28Å; L180-Q182 PolarHBondContact O-N 2.89Å; Q182-R185 WeakPolarHBondContact O-CB 3.5Å; Q182-R204 HydrophobicContact CG-CG 4.49Å
183	H	85.3	Confident	84.7	Confident	24 Å²	24	67.3 Å²	67.3	11%	0.111	35%	0.353	C	S	.	.	H	α-helix	trans	-69.8	-39.3	174.6	172.8	55.6	0	0	0	112.2	C170 F174 H179 L180 I181 R185 T186 H187	C170-H183 PolarHBondContact SG-NE2 2.88Å; F174-H183 HydrophobicContact CE1-CB 3.81Å; F174-H183 HydrophobicContact CE2-CB 3.86Å; F174-H183 AromaticContact CE2-CD2 3.36Å; F174-H183 WeakPolarHBondContact CE2-CD2 3.47Å; F174-H183 AromaticContact CE2-CG 3.73Å; F174-H183 HydrophobicContact CZ-CB 3.33Å; F174-H183 AromaticContact CZ-CD2 3.29Å; F174-H183 WeakPolarHBondContact CZ-CD2 3.4Å; F174-H183 AromaticContact CZ-CG 3.21Å; F174-H183 AromaticContact CZ-ND1 3.99Å; H179-H183 WeakPolarHBondContact O-CB 3.36Å; H179-H183 PolarHBondContact O-N 3.22Å; L180-H183 CarbonylContact O-C 3.54Å; L180-H183 WeakPolarHBondContact O-CA 2.87Å; L180-H183 WeakPolarHBondContact O-CB 3.45Å; L180-H183 PolarHBondContact O-N 3.44Å; I181-H183 VanDerWaalsContact C-N 3.3Å; I181-H183 PolarHBondContact O-N 2.76Å; H183-R185 PolarHBondContact O-N 3.46Å; H183-R185 VanDerWaalsContact O-N 3.16Å; H183-T186 PolarHBondContact CE1-OG1 3.09Å; H183-T186 PolarHBondContact ND1-OG1 2.88Å; H183-T186 WeakPolarHBondContact O-CB 3.22Å; H183-T186 PolarHBondContact O-N 3.29Å; H183-T186 PolarHBondContact O-OG1 3.16Å; H183-H187 AromaticContact CD2-NE2 3.99Å; H183-H187 AromaticContact CE1-CE1 3.96Å; H183-H187 AromaticContact CE1-NE2 3.62Å; H183-H187 AromaticContact NE2-CE1 3.89Å; H183-H187 AromaticContact NE2-NE2 3.19Å; H183-H187 PolarHBondContact NE2-NE2 3.11Å; H183-H187 VanDerWaalsContact NE2-NE2 3.19Å
184	Q	85	Confident	84.8	Confident	74 Å²	74	70.5 Å²	70.5	35%	0.346	37%	0.366	S	S	.	.	H	α-helix	trans	-58	-31.2	177.7	-74.8	172.8	-46.5	0	0	112.2	L180 I181 T186 H187 T188	L180-Q184 HydrophobicContact CD1-CG 4.18Å; L180-Q184 HydrophobicContact CG-CG 4.5Å; L180-Q184 WeakPolarHBondContact O-CG 3.3Å; L180-Q184 PolarHBondContact O-N 3.08Å; I181-Q184 PolarHBondContact O-N 3.24Å; Q184-T186 PolarHBondContact O-N 3.4Å; Q184-T186 VanDerWaalsContact O-N 3.09Å; Q184-H187 PolarHBondContact O-N 3.28Å; Q184-T188 PolarHBondContact O-N 2.98Å; Q184-T188 VanDerWaalsContact O-N 3.15Å; Q184-T188 PolarHBondContact O-OG1 3.29Å
185	R	86.4	Confident	85	Confident	64 Å²	64	68.7 Å²	68.7	24%	0.242	36%	0.358	C	S	.	.	H	α-helix	trans	-58.1	-21.6	171.5	-62.5	177.7	-177	175	-0.8	114	I181 Q182 H183 H187 T188 G189 E190 G203	I181-R185 PolarHBondContact O-N 3.14Å; Q182-R185 WeakPolarHBondContact O-CB 3.5Å; H183-R185 PolarHBondContact O-N 3.46Å; H183-R185 VanDerWaalsContact O-N 3.16Å; R185-H187 VanDerWaalsContact C-N 3.31Å; R185-T188 WeakPolarHBondContact CA-OG1 3.38Å; R185-G189 WeakPolarHBondContact O-CA 3.37Å; R185-G189 PolarHBondContact O-N 3.31Å; R185-E190 HydrophobicContact CB-CB 4.44Å; R185-E190 HydrophobicContact CG-CB 4.3Å; R185-E190 PolarHBondContact O-N 3.45Å; R185-G203 PolarHBondContact NH1-O 2.83Å
186	T	83.3	Confident	85.1	Confident	96 Å²	96	74.3 Å²	74.3	59%	0.589	39%	0.386	S	S	*	.	H	α-helix	trans	-75.2	-22.4	175.5	68.7	0	0	0	0	113.1	H183 Q184	H183-T186 PolarHBondContact CE1-OG1 3.09Å; H183-T186 PolarHBondContact ND1-OG1 2.88Å; H183-T186 WeakPolarHBondContact O-CB 3.22Å; H183-T186 PolarHBondContact O-N 3.29Å; H183-T186 PolarHBondContact O-OG1 3.16Å; Q184-T186 PolarHBondContact O-N 3.4Å; Q184-T186 VanDerWaalsContact O-N 3.09Å
187	H	83.8	Confident	85.3	Confident	76 Å²	76	76.1 Å²	76.1	35%	0.352	40%	0.398	S	S	.	.	H	α-helix	trans	-91.5	-43.3	177.5	-57.3	-53.8	0	0	0	111.4	C167 E169 H183 Q184 R185 G189	C167-H187 PolarHBondContact SG-NE2 3.31Å; C167-H187 VanDerWaalsContact SG-NE2 3.39Å; E169-H187 WeakPolarHBondContact OE2-CB 3.28Å; E169-H187 IonicContact OE2-CD2 3.33Å; E169-H187 PolarHBondContact OE2-CD2 3.23Å; E169-H187 IonicContact OE2-CG 3.14Å; E169-H187 IonicContact OE2-NE2 3.03Å; H183-H187 AromaticContact CD2-NE2 3.99Å; H183-H187 AromaticContact CE1-CE1 3.96Å; H183-H187 AromaticContact CE1-NE2 3.62Å; H183-H187 AromaticContact NE2-CE1 3.89Å; H183-H187 AromaticContact NE2-NE2 3.19Å; H183-H187 PolarHBondContact NE2-NE2 3.11Å; H183-H187 VanDerWaalsContact NE2-NE2 3.19Å; Q184-H187 PolarHBondContact O-N 3.28Å; R185-H187 VanDerWaalsContact C-N 3.31Å; H187-G189 PolarHBondContact O-N 3.3Å
188	T	82.9	Confident	85.4	Confident	82 Å²	82	76 Å²	76	50%	0.503	40%	0.397	S	S	.	.	H	α-helix	trans	-74.1	-16.9	177.2	62.6	0	0	0	0	113.1	Q184 R185 E190	Q184-T188 PolarHBondContact O-N 2.98Å; Q184-T188 VanDerWaalsContact O-N 3.15Å; Q184-T188 PolarHBondContact O-OG1 3.29Å; R185-T188 WeakPolarHBondContact CA-OG1 3.38Å; T188-E190 PolarHBondContact O-N 3.47Å; T188-E190 WeakPolarHBondContact OG1-CG 3.45Å; T188-E190 PolarHBondContact OG1-N 3.02Å
189	G	82.2	Confident	85.3	Confident	49 Å²	49	75.7 Å²	75.7	51%	0.505	40%	0.404	S	S	.	.			trans	71.3	9	-175.8	0	0	0	0	0	113.8	R185 H187 R191	R185-G189 WeakPolarHBondContact O-CA 3.37Å; R185-G189 PolarHBondContact O-N 3.31Å; H187-G189 PolarHBondContact O-N 3.3Å; G189-R191 WeakPolarHBondContact O-CG 3.32Å; G189-R191 PolarHBondContact O-N 3.15Å
190	E	86	Confident	85.4	Confident	114 Å²	114	77.9 Å²	77.9	53%	0.533	41%	0.413	S	S	.	.			trans	-61	125.9	178.6	-77.5	-177.1	-179.2	0	0	111.6	R185 T188	R185-E190 HydrophobicContact CB-CB 4.44Å; R185-E190 HydrophobicContact CG-CB 4.3Å; R185-E190 PolarHBondContact O-N 3.45Å; T188-E190 PolarHBondContact O-N 3.47Å; T188-E190 WeakPolarHBondContact OG1-CG 3.45Å; T188-E190 PolarHBondContact OG1-N 3.02Å
191	R	85.6	Confident	85.4	Confident	147 Å²	147	78.9 Å²	78.9	56%	0.555	42%	0.422	S	S	*	.			trans	-128	80.1	179.4	-67.5	173.2	84	153.2	1.7	108.9	G189 Y193 S201 F202	G189-R191 WeakPolarHBondContact O-CG 3.32Å; G189-R191 PolarHBondContact O-N 3.15Å; R191-Y193 PolarHBondContact O-N 3.35Å; R191-Y193 VanDerWaalsContact O-N 3.11Å; R191-S201 VanDerWaalsContact CB-CB 3.48Å; R191-S201 PolarHBondContact NE-O 2.62Å; R191-S201 PolarHBondContact NH2-O 3.35Å; R191-S201 WeakPolarHBondContact O-CB 3.48Å; R191-F202 CarbonylContact C-O 3.6Å; R191-F202 VanDerWaalsContact C-O 3.25Å; R191-F202 WeakPolarHBondContact CA-O 3.43Å
192	P	87	Confident	85.5	Confident	65 Å²	65	76.1 Å²	76.1	42%	0.422	41%	0.406	S	S	.	.			trans	-70.1	-7.9	-169.1	-21.7	34.9	0	0	0	115.5
193	Y	89	Confident	85.5	Confident	82 Å²	82	74.4 Å²	74.4	32%	0.322	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	98.4	-174.1	-55.8	-77.1	0	0	0	110	R191 S201 F202 S205	R191-Y193 PolarHBondContact O-N 3.35Å; R191-Y193 VanDerWaalsContact O-N 3.11Å; Y193-S201 CarbonylContact O-C 3.39Å; Y193-S201 VanDerWaalsContact O-CA 3.31Å; Y193-S201 WeakPolarHBondContact O-CA 3.38Å; Y193-F202 WeakPolarHBondContact CD2-O 3.45Å; Y193-F202 PolarHBondContact N-O 3.03Å; Y193-F202 VanDerWaalsContact N-O 3.12Å; Y193-F202 PolarHBondContact O-N 2.75Å; Y193-S205 VanDerWaalsContact CD2-N 3.3Å; Y193-S205 VanDerWaalsContact CE2-N 3.34Å
194	D	85.8	Confident	85.4	Confident	83 Å²	83	78.4 Å²	78.4	44%	0.444	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	147.2	179.9	58.8	-74.4	0	0	0	113.4	N196 L208	D194-N196 PolarHBondContact OD2-OD1 3.22Å; D194-L208 VanDerWaalsContact O-CD2 3.27Å; D194-L208 WeakPolarHBondContact O-CD2 3.44Å
195	C	89.3	Confident	85.4	Confident	1 Å²	1	77.5 Å²	77.5	1%	0.007	42%	0.421	C	S	.	.			trans	-96.2	110.6	171.6	177.8	0	0	0	0	109.1	E197 C198 G199 K200 F202 L208 H215	C195-E197 PolarHBondContact O-N 3.42Å; C195-E197 VanDerWaalsContact O-N 3.13Å; C195-C198 PolarHBondContact O-N 2.83Å; C195-C198 VanDerWaalsContact SG-SG 3.61Å; C195-G199 VanDerWaalsContact O-CA 3.32Å; C195-G199 WeakPolarHBondContact O-CA 3.4Å; C195-G199 PolarHBondContact O-N 3.31Å; C195-K200 VanDerWaalsContact CB-O 3.27Å; C195-K200 WeakPolarHBondContact CB-O 3.24Å; C195-K200 PolarHBondContact N-O 3.25Å; C195-F202 HydrophobicContact CB-CE2 4.33Å; C195-L208 HydrophobicContact CB-CD1 3.6Å; C195-H215 PolarHBondContact SG-NE2 3.14Å; C195-H215 VanDerWaalsContact SG-NE2 3.38Å
196	N	86.1	Confident	85.3	Confident	148 Å²	148	77.6 Å²	77.6	79%	0.791	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.4	-179.9	-67.8	-37	0	0	0	114.3	D194	D194-N196 PolarHBondContact OD2-OD1 3.22Å
197	E	84.9	Confident	85.3	Confident	126 Å²	126	76.9 Å²	76.9	59%	0.589	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-27.8	-176	-65.6	175.3	149.1	0	0	113.7	C195 H215	C195-E197 PolarHBondContact O-N 3.42Å; C195-E197 VanDerWaalsContact O-N 3.13Å; E197-H215 WeakPolarHBondContact OE2-CB 3.26Å; E197-H215 IonicContact OE2-CD2 3.06Å; E197-H215 PolarHBondContact OE2-CD2 3.34Å; E197-H215 IonicContact OE2-CG 3.35Å
198	C	86.3	Confident	85.4	Confident	53 Å²	53	74.3 Å²	74.3	36%	0.358	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.2	4.6	-176.8	73.2	0	0	0	0	114.7	C195 K200 H211 H215	C195-C198 PolarHBondContact O-N 2.83Å; C195-C198 VanDerWaalsContact SG-SG 3.61Å; C198-K200 PolarHBondContact O-N 3.43Å; C198-K200 VanDerWaalsContact O-N 3.13Å; C198-H211 PolarHBondContact SG-NE2 2.75Å; C198-H215 PolarHBondContact SG-NE2 2.88Å; C198-H215 VanDerWaalsContact SG-NE2 3.37Å
199	G	83.4	Confident	85.4	Confident	61 Å²	61	75.6 Å²	75.6	63%	0.629	41%	0.413	S	S	*	.			trans	67.5	7.2	179.3	0	0	0	0	0	114.9	C195	C195-G199 VanDerWaalsContact O-CA 3.32Å; C195-G199 WeakPolarHBondContact O-CA 3.4Å; C195-G199 PolarHBondContact O-N 3.31Å
200	K	85.4	Confident	85.4	Confident	121 Å²	121	76 Å²	76	53%	0.526	40%	0.401	S	S	.	.			trans	-78.4	130.6	179.2	-70.9	178.8	-177.1	171.2	0	110.9	C195 C198 F202	C195-K200 VanDerWaalsContact CB-O 3.27Å; C195-K200 WeakPolarHBondContact CB-O 3.24Å; C195-K200 PolarHBondContact N-O 3.25Å; C198-K200 PolarHBondContact O-N 3.43Å; C198-K200 VanDerWaalsContact O-N 3.13Å; K200-F202 HydrophobicContact CB-CE2 4.03Å; K200-F202 HydrophobicContact CB-CZ 4.08Å; K200-F202 WeakPolarHBondContact O-CE2 3.48Å
201	S	87.9	Confident	85.3	Confident	43 Å²	43	71.5 Å²	71.5	30%	0.301	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	156.6	177.6	-42.7	0	0	0	0	112.6	R191 Y193	R191-S201 VanDerWaalsContact CB-CB 3.48Å; R191-S201 PolarHBondContact NE-O 2.62Å; R191-S201 PolarHBondContact NH2-O 3.35Å; R191-S201 WeakPolarHBondContact O-CB 3.48Å; Y193-S201 CarbonylContact O-C 3.39Å; Y193-S201 VanDerWaalsContact O-CA 3.31Å; Y193-S201 WeakPolarHBondContact O-CA 3.38Å
202	F	86.2	Confident	85.1	Confident	30 Å²	30	68 Å²	68	13%	0.132	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	148.3	-178.3	-58.8	-89	0	0	0	110.7	R191 Y193 C195 K200 R204 H207 L208 H211	R191-F202 CarbonylContact C-O 3.6Å; R191-F202 VanDerWaalsContact C-O 3.25Å; R191-F202 WeakPolarHBondContact CA-O 3.43Å; Y193-F202 WeakPolarHBondContact CD2-O 3.45Å; Y193-F202 PolarHBondContact N-O 3.03Å; Y193-F202 VanDerWaalsContact N-O 3.12Å; Y193-F202 PolarHBondContact O-N 2.75Å; C195-F202 HydrophobicContact CB-CE2 4.33Å; K200-F202 HydrophobicContact CB-CE2 4.03Å; K200-F202 HydrophobicContact CB-CZ 4.08Å; K200-F202 WeakPolarHBondContact O-CE2 3.48Å; F202-R204 VanDerWaalsContact C-N 3.29Å; F202-H207 HydrophobicContact CB-CB 4.24Å; F202-H207 HydrophobicContact CD1-CB 4.02Å; F202-H207 HydrophobicContact CG-CB 4.36Å; F202-L208 HydrophobicContact CB-CB 4.33Å; F202-L208 HydrophobicContact CD2-CB 3.83Å; F202-L208 HydrophobicContact CD2-CD1 3.71Å; F202-L208 HydrophobicContact CD2-CG 4.37Å; F202-L208 HydrophobicContact CE2-CD1 3.86Å; F202-L208 HydrophobicContact CG-CB 4.26Å; F202-H211 HydrophobicContact CE1-CB 3.94Å; F202-H211 HydrophobicContact CE2-CB 3.81Å; F202-H211 AromaticContact CE2-CD2 3.43Å; F202-H211 VanDerWaalsContact CE2-CD2 3.43Å; F202-H211 WeakPolarHBondContact CE2-CD2 3.4Å; F202-H211 AromaticContact CE2-CG 3.63Å; F202-H211 HydrophobicContact CZ-CB 3.41Å; F202-H211 VanDerWaalsContact CZ-CB 3.41Å; F202-H211 AromaticContact CZ-CD2 3.4Å; F202-H211 WeakPolarHBondContact CZ-CD2 3.29Å; F202-H211 AromaticContact CZ-CG 3.17Å; F202-H211 AromaticContact CZ-ND1 3.69Å; F202-H211 AromaticContact CZ-NE2 3.99Å
203	G	83.8	Confident	84.9	Confident	24 Å²	24	66 Å²	66	25%	0.247	36%	0.357	C	S	.	.	S	Bend	trans	-78.5	-11.5	176.6	0	0	0	0	0	114.3	R185	R185-G203 PolarHBondContact NH1-O 2.83Å
204	R	84.1	Confident	84.5	Confident	107 Å²	107	67.6 Å²	67.6	40%	0.404	37%	0.37	S	S	.	.	S	Bend	trans	-136.9	139.2	-179.7	-58.7	-174	-179.8	178.5	-8.5	110.5	Q182 F202 S206 H207 L208	Q182-R204 HydrophobicContact CG-CG 4.49Å; F202-R204 VanDerWaalsContact C-N 3.29Å; R204-S206 VanDerWaalsContact C-N 3.34Å; R204-S206 PolarHBondContact O-N 3.37Å; R204-H207 HydrophobicContact CB-CB 4.45Å; R204-H207 PolarHBondContact O-N 3.26Å; R204-L208 PolarHBondContact O-N 3.45Å
205	S	85.1	Confident	84.3	Confident	55 Å²	55	67.1 Å²	67.1	39%	0.385	37%	0.365	S	S	.	.	H	α-helix	trans	-61.7	-39.8	176.7	54.4	0	0	0	0	112.5	Y193 H207 L208 I209	Y193-S205 VanDerWaalsContact CD2-N 3.3Å; Y193-S205 VanDerWaalsContact CE2-N 3.34Å; S205-H207 PolarHBondContact O-N 3.34Å; S205-L208 WeakPolarHBondContact O-CA 3.22Å; S205-L208 WeakPolarHBondContact O-CB 3.35Å; S205-L208 PolarHBondContact O-N 3.3Å; S205-I209 WeakPolarHBondContact O-CG1 3.43Å; S205-I209 PolarHBondContact O-N 2.78Å
206	S	82.4	Confident	83.9	Confident	66 Å²	66	70.8 Å²	70.8	46%	0.462	39%	0.387	S	S	.	.	H	α-helix	trans	-60.3	-32.7	177.4	58.4	0	0	0	0	113.1	R204 Q210	R204-S206 VanDerWaalsContact C-N 3.34Å; R204-S206 PolarHBondContact O-N 3.37Å; S206-Q210 VanDerWaalsContact O-CB 3.28Å; S206-Q210 WeakPolarHBondContact O-CB 3.43Å; S206-Q210 PolarHBondContact O-N 3.34Å; S206-Q210 VanDerWaalsContact O-N 3.11Å
207	H	84.6	Confident	83.5	Confident	82 Å²	82	66 Å²	66	38%	0.38	37%	0.372	S	S	.	.	H	α-helix	trans	-73.8	-34.4	174.8	-65.2	176.3	0	0	0	112	F202 R204 S205 H211	F202-H207 HydrophobicContact CB-CB 4.24Å; F202-H207 HydrophobicContact CD1-CB 4.02Å; F202-H207 HydrophobicContact CG-CB 4.36Å; R204-H207 HydrophobicContact CB-CB 4.45Å; R204-H207 PolarHBondContact O-N 3.26Å; S205-H207 PolarHBondContact O-N 3.34Å; H207-H211 VanDerWaalsContact O-CB 3.25Å; H207-H211 WeakPolarHBondContact O-CB 3.36Å; H207-H211 PolarHBondContact O-N 3.37Å
208	L	85.6	Confident	83.2	Confident	22 Å²	22	65.8 Å²	65.8	12%	0.115	37%	0.371	C	S	.	.	H	α-helix	trans	-65.9	-50.1	173.1	171.7	63.7	0	0	0	111.1	D194 C195 F202 R204 S205 Q210 H211 Q212	D194-L208 VanDerWaalsContact O-CD2 3.27Å; D194-L208 WeakPolarHBondContact O-CD2 3.44Å; C195-L208 HydrophobicContact CB-CD1 3.6Å; F202-L208 HydrophobicContact CB-CB 4.33Å; F202-L208 HydrophobicContact CD2-CB 3.83Å; F202-L208 HydrophobicContact CD2-CD1 3.71Å; F202-L208 HydrophobicContact CD2-CG 4.37Å; F202-L208 HydrophobicContact CE2-CD1 3.86Å; F202-L208 HydrophobicContact CG-CB 4.26Å; R204-L208 PolarHBondContact O-N 3.45Å; S205-L208 WeakPolarHBondContact O-CA 3.22Å; S205-L208 WeakPolarHBondContact O-CB 3.35Å; S205-L208 PolarHBondContact O-N 3.3Å; L208-Q210 VanDerWaalsContact C-N 3.25Å; L208-Q210 PolarHBondContact O-N 3.18Å; L208-H211 CarbonylContact O-C 3.25Å; L208-H211 WeakPolarHBondContact O-CA 3.22Å; L208-H211 WeakPolarHBondContact O-CB 2.84Å; L208-H211 PolarHBondContact O-N 2.77Å; L208-Q212 HydrophobicContact CD1-CG 4.32Å; L208-Q212 WeakPolarHBondContact O-CG 3.4Å; L208-Q212 PolarHBondContact O-N 3.16Å
209	I	83	Confident	82.9	Confident	109 Å²	109	69.2 Å²	69.2	56%	0.559	38%	0.38	S	S	*	.	H	α-helix	trans	-55.8	-45.4	178	-67.2	167.4	0	0	0	110.2	S205 H211 Q212	S205-I209 WeakPolarHBondContact O-CG1 3.43Å; S205-I209 PolarHBondContact O-N 2.78Å; I209-H211 VanDerWaalsContact C-N 3.34Å; I209-H211 PolarHBondContact O-N 3.28Å; I209-Q212 PolarHBondContact O-N 3.43Å
210	Q	81.8	Confident	82.8	Confident	58 Å²	58	70.6 Å²	70.6	27%	0.271	38%	0.378	S	S	.	.	H	α-helix	trans	-66.3	-35.5	175.7	-178.9	171.9	73.5	0	0	113.2	S206 L208 Q212 T213 R232	S206-Q210 VanDerWaalsContact O-CB 3.28Å; S206-Q210 WeakPolarHBondContact O-CB 3.43Å; S206-Q210 PolarHBondContact O-N 3.34Å; S206-Q210 VanDerWaalsContact O-N 3.11Å; L208-Q210 VanDerWaalsContact C-N 3.25Å; L208-Q210 PolarHBondContact O-N 3.18Å; Q210-Q212 VanDerWaalsContact C-N 3.33Å; Q210-T213 WeakPolarHBondContact O-CB 3.43Å; Q210-T213 PolarHBondContact O-N 3.13Å; Q210-T213 PolarHBondContact O-OG1 3.32Å; Q210-R232 VanDerWaalsContact NE2-CG 3.33Å; Q210-R232 VanDerWaalsContact OE1-NE 3.11Å
211	H	84.1	Confident	82.8	Confident	18 Å²	18	67.6 Å²	67.6	8%	0.083	37%	0.366	C	S	.	.	H	α-helix	trans	-65.4	-37.3	175.6	172.3	65.7	0	0	0	112.2	C198 F202 H207 L208 I209 T213 I214 H215	C198-H211 PolarHBondContact SG-NE2 2.75Å; F202-H211 HydrophobicContact CE1-CB 3.94Å; F202-H211 HydrophobicContact CE2-CB 3.81Å; F202-H211 AromaticContact CE2-CD2 3.43Å; F202-H211 VanDerWaalsContact CE2-CD2 3.43Å; F202-H211 WeakPolarHBondContact CE2-CD2 3.4Å; F202-H211 AromaticContact CE2-CG 3.63Å; F202-H211 HydrophobicContact CZ-CB 3.41Å; F202-H211 VanDerWaalsContact CZ-CB 3.41Å; F202-H211 AromaticContact CZ-CD2 3.4Å; F202-H211 WeakPolarHBondContact CZ-CD2 3.29Å; F202-H211 AromaticContact CZ-CG 3.17Å; F202-H211 AromaticContact CZ-ND1 3.69Å; F202-H211 AromaticContact CZ-NE2 3.99Å; H207-H211 VanDerWaalsContact O-CB 3.25Å; H207-H211 WeakPolarHBondContact O-CB 3.36Å; H207-H211 PolarHBondContact O-N 3.37Å; L208-H211 CarbonylContact O-C 3.25Å; L208-H211 WeakPolarHBondContact O-CA 3.22Å; L208-H211 WeakPolarHBondContact O-CB 2.84Å; L208-H211 PolarHBondContact O-N 2.77Å; I209-H211 VanDerWaalsContact C-N 3.34Å; I209-H211 PolarHBondContact O-N 3.28Å; H211-T213 PolarHBondContact O-N 3.27Å; H211-I214 VanDerWaalsContact O-CB 3.25Å; H211-I214 WeakPolarHBondContact O-CB 3.32Å; H211-I214 WeakPolarHBondContact O-CG1 3.31Å; H211-I214 PolarHBondContact O-N 3.23Å; H211-H215 AromaticContact CD2-NE2 3.83Å; H211-H215 AromaticContact CE1-NE2 3.72Å; H211-H215 AromaticContact NE2-CE1 3.9Å; H211-H215 AromaticContact NE2-NE2 3.11Å; H211-H215 PolarHBondContact NE2-NE2 3.3Å; H211-H215 VanDerWaalsContact NE2-NE2 3.11Å
212	Q	82.3	Confident	82.8	Confident	73 Å²	73	71.4 Å²	71.4	34%	0.341	38%	0.377	S	S	.	.	H	α-helix	trans	-59.1	-28.2	177.9	-72.8	170.7	-40	0	0	112.7	L208 I209 Q210 I214 H215 T216	L208-Q212 HydrophobicContact CD1-CG 4.32Å; L208-Q212 WeakPolarHBondContact O-CG 3.4Å; L208-Q212 PolarHBondContact O-N 3.16Å; I209-Q212 PolarHBondContact O-N 3.43Å; Q210-Q212 VanDerWaalsContact C-N 3.33Å; Q212-I214 PolarHBondContact O-N 3.41Å; Q212-H215 PolarHBondContact O-N 2.83Å; Q212-T216 PolarHBondContact O-N 2.84Å; Q212-T216 VanDerWaalsContact O-N 3.09Å; Q212-T216 PolarHBondContact O-OG1 3.01Å
213	T	82.5	Confident	83	Confident	24 Å²	24	70 Å²	70	15%	0.147	37%	0.371	C	S	.	.	H	α-helix	trans	-58.8	-19.6	173.2	70.5	0	0	0	0	114	Q210 H211 T216 G217 E218 C231	Q210-T213 WeakPolarHBondContact O-CB 3.43Å; Q210-T213 PolarHBondContact O-N 3.13Å; Q210-T213 PolarHBondContact O-OG1 3.32Å; H211-T213 PolarHBondContact O-N 3.27Å; T213-T216 WeakPolarHBondContact CA-OG1 3.48Å; T213-G217 WeakPolarHBondContact O-CA 3.5Å; T213-G217 PolarHBondContact O-N 3.26Å; T213-G217 VanDerWaalsContact O-N 3.13Å; T213-E218 PolarHBondContact O-N 3.35Å; T213-C231 WeakPolarHBondContact OG1-CB 3.49Å
214	I	80.7	Confident	83.2	Confident	115 Å²	115	76 Å²	76	59%	0.59	40%	0.397	S	S	*	.	H	α-helix	trans	-72	-37.9	175.2	-59.4	178.3	0	0	0	110.9	H211 Q212	H211-I214 VanDerWaalsContact O-CB 3.25Å; H211-I214 WeakPolarHBondContact O-CB 3.32Å; H211-I214 WeakPolarHBondContact O-CG1 3.31Å; H211-I214 PolarHBondContact O-N 3.23Å; Q212-I214 PolarHBondContact O-N 3.41Å
215	H	81.2	Confident	83.3	Confident	74 Å²	74	77.4 Å²	77.4	34%	0.343	41%	0.408	S	S	.	.	H	α-helix	trans	-83	-40.4	-177.3	-57.2	-52.2	0	0	0	111.6	C195 E197 C198 H211 Q212 G217	C195-H215 PolarHBondContact SG-NE2 3.14Å; C195-H215 VanDerWaalsContact SG-NE2 3.38Å; E197-H215 WeakPolarHBondContact OE2-CB 3.26Å; E197-H215 IonicContact OE2-CD2 3.06Å; E197-H215 PolarHBondContact OE2-CD2 3.34Å; E197-H215 IonicContact OE2-CG 3.35Å; C198-H215 PolarHBondContact SG-NE2 2.88Å; C198-H215 VanDerWaalsContact SG-NE2 3.37Å; H211-H215 AromaticContact CD2-NE2 3.83Å; H211-H215 AromaticContact CE1-NE2 3.72Å; H211-H215 AromaticContact NE2-CE1 3.9Å; H211-H215 AromaticContact NE2-NE2 3.11Å; H211-H215 PolarHBondContact NE2-NE2 3.3Å; H211-H215 VanDerWaalsContact NE2-NE2 3.11Å; Q212-H215 PolarHBondContact O-N 2.83Å; H215-G217 PolarHBondContact O-N 2.87Å
216	T	79.9	Confident	83.4	Confident	78 Å²	78	77.2 Å²	77.2	48%	0.479	41%	0.407	S	S	.	.	H	α-helix	trans	-71.3	-17.8	174.4	64.4	0	0	0	0	112.3	Q212 T213 E218	Q212-T216 PolarHBondContact O-N 2.84Å; Q212-T216 VanDerWaalsContact O-N 3.09Å; Q212-T216 PolarHBondContact O-OG1 3.01Å; T213-T216 WeakPolarHBondContact CA-OG1 3.48Å; T216-E218 PolarHBondContact O-N 3.46Å; T216-E218 WeakPolarHBondContact OG1-CB 3.4Å; T216-E218 WeakPolarHBondContact OG1-CG 3.22Å; T216-E218 PolarHBondContact OG1-N 3.14Å
217	G	78.1	Confident	83.5	Confident	46 Å²	46	75.9 Å²	75.9	47%	0.474	40%	0.403	S	S	.	.			trans	69.4	4.6	-174.7	0	0	0	0	0	113.6	T213 H215 K219	T213-G217 WeakPolarHBondContact O-CA 3.5Å; T213-G217 PolarHBondContact O-N 3.26Å; T213-G217 VanDerWaalsContact O-N 3.13Å; H215-G217 PolarHBondContact O-N 2.87Å; G217-K219 PolarHBondContact O-N 3.03Å
218	E	78.1	Confident	83.4	Confident	123 Å²	123	78 Å²	78	58%	0.575	41%	0.411	S	S	*	.			trans	-64	121.6	-179.7	-72.3	-178.4	163.1	0	0	110.5	T213 T216	T213-E218 PolarHBondContact O-N 3.35Å; T216-E218 PolarHBondContact O-N 3.46Å; T216-E218 WeakPolarHBondContact OG1-CB 3.4Å; T216-E218 WeakPolarHBondContact OG1-CG 3.22Å; T216-E218 PolarHBondContact OG1-N 3.14Å
219	K	81.7	Confident	83.5	Confident	125 Å²	125	78.9 Å²	78.9	54%	0.543	42%	0.419	S	S	.	.			trans	-127.7	82.5	178.5	-72.4	164.7	171.5	-176.5	0	108	G217 H221 S229 F230	G217-K219 PolarHBondContact O-N 3.03Å; K219-H221 PolarHBondContact O-N 3.12Å; K219-H221 VanDerWaalsContact O-N 3.1Å; K219-S229 WeakPolarHBondContact CD-O 3.46Å; K219-S229 WeakPolarHBondContact O-CB 3.3Å; K219-F230 CarbonylContact C-O 3.23Å; K219-F230 WeakPolarHBondContact CA-O 3.33Å
220	P	81.1	Confident	83.6	Confident	90 Å²	90	75.8 Å²	75.8	58%	0.584	40%	0.402	S	S	*	.			trans	-61.9	-23.1	-170.2	-24.5	34.9	0	0	0	113.8
221	H	84.9	Confident	83.5	Confident	58 Å²	58	75.1 Å²	75.1	27%	0.269	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	96.2	-172.6	-55.6	-69.1	0	0	0	110.6	K219 S229 F230 L233 L236	K219-H221 PolarHBondContact O-N 3.12Å; K219-H221 VanDerWaalsContact O-N 3.1Å; H221-S229 CarbonylContact O-C 3.59Å; H221-S229 WeakPolarHBondContact O-CA 3.35Å; H221-F230 HydrophobicContact CB-CB 4.46Å; H221-F230 PolarHBondContact N-O 2.63Å; H221-F230 VanDerWaalsContact N-O 3.12Å; H221-F230 PolarHBondContact O-N 3.29Å; H221-L233 PolarHBondContact CD2-N 3.39Å; H221-L233 PolarHBondContact NE2-N 3.27Å; H221-L236 HydrophobicContact CB-CB 4.01Å; H221-L236 HydrophobicContact CB-CD2 3.79Å
222	K	87.6	Confident	83.4	Confident	123 Å²	123	78.9 Å²	78.9	54%	0.535	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.5	179.2	-172.7	176.8	178.1	-173	0	111.6
223	C	90.8	Very high	83.4	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	42%	0.423	C	S	.	.			trans	-80.7	123.3	168.6	-176	0	0	0	0	109.8	E225 G227 K228 F230 L236	C223-E225 VanDerWaalsContact C-N 3.32Å; C223-E225 PolarHBondContact O-N 3.25Å; C223-G227 WeakPolarHBondContact O-CA 3.47Å; C223-G227 PolarHBondContact O-N 2.7Å; C223-K228 VanDerWaalsContact CB-O 3.24Å; C223-K228 WeakPolarHBondContact CB-O 3.4Å; C223-K228 PolarHBondContact N-O 3.48Å; C223-F230 HydrophobicContact CB-CE2 4.37Å; C223-L236 HydrophobicContact CB-CD1 3.58Å
224	N	87.8	Confident	83.5	Confident	150 Å²	150	82.1 Å²	82.1	80%	0.802	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-25.5	-177	-67.3	-24	0	0	0	112.8
225	E	86.5	Confident	83.7	Confident	136 Å²	136	79.8 Å²	79.8	64%	0.636	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-39	-176	-66.5	172.9	-177.5	0	0	113.5	C223 H243	C223-E225 VanDerWaalsContact C-N 3.32Å; C223-E225 PolarHBondContact O-N 3.25Å; E225-H243 WeakPolarHBondContact OE2-CB 3.47Å; E225-H243 IonicContact OE2-CD2 3.84Å; E225-H243 PolarHBondContact OE2-CD2 2.83Å; E225-H243 IonicContact OE2-CG 3.11Å; E225-H243 IonicContact OE2-NE2 2.88Å
226	C	87	Confident	84.1	Confident	52 Å²	52	76.9 Å²	76.9	35%	0.351	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	1.7	-176.4	74.9	0	0	0	0	114	K228 H239 H243	C226-K228 PolarHBondContact O-N 3.11Å; C226-K228 VanDerWaalsContact O-N 3.09Å; C226-K228 VanDerWaalsContact SG-CB 3.57Å; C226-K228 VanDerWaalsContact SG-CG 3.54Å; C226-H239 PolarHBondContact SG-NE2 3.44Å; C226-H243 PolarHBondContact SG-NE2 3.15Å; C226-H243 VanDerWaalsContact SG-NE2 3.39Å
227	G	83.6	Confident	84.4	Confident	38 Å²	38	76.9 Å²	76.9	39%	0.392	41%	0.41	S	S	.	.			trans	70.3	-1.1	179.9	0	0	0	0	0	115.5	C223	C223-G227 WeakPolarHBondContact O-CA 3.47Å; C223-G227 PolarHBondContact O-N 2.7Å
228	K	84.2	Confident	84.8	Confident	127 Å²	127	77.5 Å²	77.5	55%	0.552	40%	0.401	S	S	*	.			trans	-69.9	133	-179.8	-70.2	179.3	-177.9	175.2	0	111	C223 C226 F230	C223-K228 VanDerWaalsContact CB-O 3.24Å; C223-K228 WeakPolarHBondContact CB-O 3.4Å; C223-K228 PolarHBondContact N-O 3.48Å; C226-K228 PolarHBondContact O-N 3.11Å; C226-K228 VanDerWaalsContact O-N 3.09Å; C226-K228 VanDerWaalsContact SG-CB 3.57Å; C226-K228 VanDerWaalsContact SG-CG 3.54Å; K228-F230 HydrophobicContact CB-CE2 4.03Å; K228-F230 HydrophobicContact CB-CZ 4.13Å; K228-F230 WeakPolarHBondContact O-CE2 3.43Å
229	S	86.8	Confident	85.4	Confident	39 Å²	39	72.7 Å²	72.7	27%	0.273	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	148.7	178.8	-49.8	0	0	0	0	112.8	K219 H221	K219-S229 WeakPolarHBondContact CD-O 3.46Å; K219-S229 WeakPolarHBondContact O-CB 3.3Å; H221-S229 CarbonylContact O-C 3.59Å; H221-S229 WeakPolarHBondContact O-CA 3.35Å
230	F	84.3	Confident	85.6	Confident	44 Å²	44	70.3 Å²	70.3	19%	0.193	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	148.8	-176.4	-57.7	-90.5	0	0	0	111.3	K219 H221 C223 K228 R232 H235 L236 H239	K219-F230 CarbonylContact C-O 3.23Å; K219-F230 WeakPolarHBondContact CA-O 3.33Å; H221-F230 HydrophobicContact CB-CB 4.46Å; H221-F230 PolarHBondContact N-O 2.63Å; H221-F230 VanDerWaalsContact N-O 3.12Å; H221-F230 PolarHBondContact O-N 3.29Å; C223-F230 HydrophobicContact CB-CE2 4.37Å; K228-F230 HydrophobicContact CB-CE2 4.03Å; K228-F230 HydrophobicContact CB-CZ 4.13Å; K228-F230 WeakPolarHBondContact O-CE2 3.43Å; F230-R232 VanDerWaalsContact C-N 3.29Å; F230-H235 HydrophobicContact CB-CB 4.2Å; F230-H235 HydrophobicContact CD1-CB 3.93Å; F230-H235 HydrophobicContact CG-CB 4.29Å; F230-L236 HydrophobicContact CB-CB 4.39Å; F230-L236 HydrophobicContact CD2-CB 3.91Å; F230-L236 HydrophobicContact CD2-CD1 3.8Å; F230-L236 HydrophobicContact CD2-CG 4.47Å; F230-L236 HydrophobicContact CE2-CD1 3.96Å; F230-L236 HydrophobicContact CG-CB 4.34Å; F230-H239 HydrophobicContact CE1-CB 3.97Å; F230-H239 HydrophobicContact CE2-CB 3.83Å; F230-H239 AromaticContact CE2-CD2 3.3Å; F230-H239 WeakPolarHBondContact CE2-CD2 3.4Å; F230-H239 AromaticContact CE2-CG 3.67Å; F230-H239 HydrophobicContact CZ-CB 3.4Å; F230-H239 VanDerWaalsContact CZ-CB 3.4Å; F230-H239 AromaticContact CZ-CD2 3.33Å; F230-H239 WeakPolarHBondContact CZ-CD2 3.42Å; F230-H239 AromaticContact CZ-CG 3.23Å; F230-H239 AromaticContact CZ-ND1 3.98Å
231	C	81.3	Confident	86	Confident	45 Å²	45	68.9 Å²	68.9	30%	0.304	35%	0.352	S	S	.	.	S	Bend	trans	-80.4	-7.3	175.8	59.9	0	0	0	0	113.8	T213	T213-C231 WeakPolarHBondContact OG1-CB 3.49Å
232	R	81	Confident	86.1	Confident	97 Å²	97	70.5 Å²	70.5	37%	0.366	37%	0.366	S	S	.	.	S	Bend	trans	-139	138.9	178.6	-60.5	-174.4	-174.1	169.6	-7.4	110.6	Q210 F230 S234 H235 L236	Q210-R232 VanDerWaalsContact NE2-CG 3.33Å; Q210-R232 VanDerWaalsContact OE1-NE 3.11Å; F230-R232 VanDerWaalsContact C-N 3.29Å; R232-S234 VanDerWaalsContact C-N 3.32Å; R232-S234 PolarHBondContact O-N 3.08Å; R232-H235 HydrophobicContact CB-CB 4.37Å; R232-H235 PolarHBondContact O-N 3.3Å; R232-L236 PolarHBondContact O-N 2.86Å
233	L	82.9	Confident	86.1	Confident	91 Å²	91	68.1 Å²	68.1	48%	0.476	36%	0.357	S	S	.	.	H	α-helix	trans	-60.2	-41.2	175.7	-177.1	59.1	0	0	0	112.3	H221 H235 L236 I237	H221-L233 PolarHBondContact CD2-N 3.39Å; H221-L233 PolarHBondContact NE2-N 3.27Å; L233-H235 PolarHBondContact O-N 3.07Å; L233-L236 HydrophobicContact CD1-CD2 4.29Å; L233-L236 WeakPolarHBondContact O-CA 3.28Å; L233-L236 WeakPolarHBondContact O-CB 3.46Å; L233-L236 PolarHBondContact O-N 3.04Å; L233-I237 HydrophobicContact CD1-CD1 4.41Å; L233-I237 HydrophobicContact CD1-CG1 4.36Å; L233-I237 HydrophobicContact CG-CD1 3.99Å; L233-I237 HydrophobicContact CG-CG1 4.39Å; L233-I237 WeakPolarHBondContact O-CG1 3.34Å; L233-I237 PolarHBondContact O-N 3.38Å
234	S	83.4	Confident	85.8	Confident	74 Å²	74	71.3 Å²	71.3	52%	0.517	38%	0.379	S	S	.	.	H	α-helix	trans	-60.6	-32.3	178.2	56.8	0	0	0	0	113.3	R232 Q238	R232-S234 VanDerWaalsContact C-N 3.32Å; R232-S234 PolarHBondContact O-N 3.08Å; S234-Q238 VanDerWaalsContact O-CB 3.26Å; S234-Q238 WeakPolarHBondContact O-CB 3.31Å; S234-Q238 PolarHBondContact O-N 3.35Å; S234-Q238 VanDerWaalsContact O-N 3.08Å
235	H	86.1	Confident	85.7	Confident	65 Å²	65	66.3 Å²	66.3	30%	0.301	36%	0.363	S	S	.	.	H	α-helix	trans	-73.3	-36	174.4	-65	174.9	0	0	0	111.7	F230 R232 L233 H239	F230-H235 HydrophobicContact CB-CB 4.2Å; F230-H235 HydrophobicContact CD1-CB 3.93Å; F230-H235 HydrophobicContact CG-CB 4.29Å; R232-H235 HydrophobicContact CB-CB 4.37Å; R232-H235 PolarHBondContact O-N 3.3Å; L233-H235 PolarHBondContact O-N 3.07Å; H235-H239 VanDerWaalsContact O-CB 3.27Å; H235-H239 WeakPolarHBondContact O-CB 3.26Å; H235-H239 PolarHBondContact O-N 3.24Å
236	L	88.6	Confident	85.8	Confident	13 Å²	13	65.2 Å²	65.2	7%	0.068	36%	0.358	C	S	.	.	H	α-helix	trans	-63.7	-50.7	173.2	172.3	62.2	0	0	0	111	H221 C223 F230 R232 L233 Q238 H239 Q240	H221-L236 HydrophobicContact CB-CB 4.01Å; H221-L236 HydrophobicContact CB-CD2 3.79Å; C223-L236 HydrophobicContact CB-CD1 3.58Å; F230-L236 HydrophobicContact CB-CB 4.39Å; F230-L236 HydrophobicContact CD2-CB 3.91Å; F230-L236 HydrophobicContact CD2-CD1 3.8Å; F230-L236 HydrophobicContact CD2-CG 4.47Å; F230-L236 HydrophobicContact CE2-CD1 3.96Å; F230-L236 HydrophobicContact CG-CB 4.34Å; R232-L236 PolarHBondContact O-N 2.86Å; L233-L236 HydrophobicContact CD1-CD2 4.29Å; L233-L236 WeakPolarHBondContact O-CA 3.28Å; L233-L236 WeakPolarHBondContact O-CB 3.46Å; L233-L236 PolarHBondContact O-N 3.04Å; L236-Q238 VanDerWaalsContact C-N 3.28Å; L236-Q238 PolarHBondContact O-N 3.47Å; L236-H239 CarbonylContact O-C 3.52Å; L236-H239 WeakPolarHBondContact O-CA 3.47Å; L236-H239 WeakPolarHBondContact O-CB 3.47Å; L236-H239 PolarHBondContact O-N 3.1Å; L236-Q240 HydrophobicContact CD1-CG 4.18Å; L236-Q240 WeakPolarHBondContact O-CG 3.39Å; L236-Q240 PolarHBondContact O-N 3.21Å
237	I	86.7	Confident	85.9	Confident	79 Å²	79	68.7 Å²	68.7	41%	0.405	37%	0.367	S	S	.	.	H	α-helix	trans	-57.1	-45.2	178.3	-66.7	170.8	0	0	0	110.3	L233 H239 Q240 R241	L233-I237 HydrophobicContact CD1-CD1 4.41Å; L233-I237 HydrophobicContact CD1-CG1 4.36Å; L233-I237 HydrophobicContact CG-CD1 3.99Å; L233-I237 HydrophobicContact CG-CG1 4.39Å; L233-I237 WeakPolarHBondContact O-CG1 3.34Å; L233-I237 PolarHBondContact O-N 3.38Å; I237-H239 VanDerWaalsContact C-N 3.29Å; I237-H239 PolarHBondContact O-N 3.4Å; I237-Q240 PolarHBondContact O-N 3.11Å; I237-R241 PolarHBondContact O-N 3.47Å
238	Q	87.4	Confident	86.2	Confident	58 Å²	58	70.4 Å²	70.4	27%	0.271	37%	0.371	S	S	.	.	H	α-helix	trans	-64.5	-34.5	176.2	-179.3	178.7	79.8	0	0	112.9	S234 L236 R260	S234-Q238 VanDerWaalsContact O-CB 3.26Å; S234-Q238 WeakPolarHBondContact O-CB 3.31Å; S234-Q238 PolarHBondContact O-N 3.35Å; S234-Q238 VanDerWaalsContact O-N 3.08Å; L236-Q238 VanDerWaalsContact C-N 3.28Å; L236-Q238 PolarHBondContact O-N 3.47Å; Q238-R260 VanDerWaalsContact CD-CZ 3.42Å; Q238-R260 VanDerWaalsContact CD-NH2 3.26Å; Q238-R260 VanDerWaalsContact NE2-CD 3.34Å
239	H	89	Confident	86.6	Confident	22 Å²	22	68.4 Å²	68.4	10%	0.102	36%	0.361	C	S	.	.	H	α-helix	trans	-70.6	-38.1	175.1	169.6	55.2	0	0	0	112.1	C226 F230 H235 L236 I237 R241 T242 H243	C226-H239 PolarHBondContact SG-NE2 3.44Å; F230-H239 HydrophobicContact CE1-CB 3.97Å; F230-H239 HydrophobicContact CE2-CB 3.83Å; F230-H239 AromaticContact CE2-CD2 3.3Å; F230-H239 WeakPolarHBondContact CE2-CD2 3.4Å; F230-H239 AromaticContact CE2-CG 3.67Å; F230-H239 HydrophobicContact CZ-CB 3.4Å; F230-H239 VanDerWaalsContact CZ-CB 3.4Å; F230-H239 AromaticContact CZ-CD2 3.33Å; F230-H239 WeakPolarHBondContact CZ-CD2 3.42Å; F230-H239 AromaticContact CZ-CG 3.23Å; F230-H239 AromaticContact CZ-ND1 3.98Å; H235-H239 VanDerWaalsContact O-CB 3.27Å; H235-H239 WeakPolarHBondContact O-CB 3.26Å; H235-H239 PolarHBondContact O-N 3.24Å; L236-H239 CarbonylContact O-C 3.52Å; L236-H239 WeakPolarHBondContact O-CA 3.47Å; L236-H239 WeakPolarHBondContact O-CB 3.47Å; L236-H239 PolarHBondContact O-N 3.1Å; I237-H239 VanDerWaalsContact C-N 3.29Å; I237-H239 PolarHBondContact O-N 3.4Å; H239-R241 PolarHBondContact O-N 3.15Å; H239-T242 PolarHBondContact CE1-OG1 3.15Å; H239-T242 PolarHBondContact ND1-OG1 3.29Å; H239-T242 WeakPolarHBondContact O-CB 3.42Å; H239-T242 PolarHBondContact O-N 3.23Å; H239-T242 PolarHBondContact O-OG1 3.36Å; H239-H243 AromaticContact CD2-NE2 4Å; H239-H243 AromaticContact CE1-CE1 3.72Å; H239-H243 AromaticContact CE1-NE2 3.39Å; H239-H243 PolarHBondContact CE1-NE2 3.02Å; H239-H243 AromaticContact NE2-CD2 3.93Å; H239-H243 AromaticContact NE2-CE1 3.81Å; H239-H243 AromaticContact NE2-NE2 3.08Å; H239-H243 PolarHBondContact NE2-NE2 2.74Å
240	Q	87.4	Confident	87	Confident	76 Å²	76	72.1 Å²	72.1	36%	0.355	37%	0.374	S	S	.	.	H	α-helix	trans	-57.7	-32.5	177.9	-74.6	171.9	-50.7	0	0	112	L236 I237 T242 H243 S244	L236-Q240 HydrophobicContact CD1-CG 4.18Å; L236-Q240 WeakPolarHBondContact O-CG 3.39Å; L236-Q240 PolarHBondContact O-N 3.21Å; I237-Q240 PolarHBondContact O-N 3.11Å; Q240-T242 PolarHBondContact O-N 3.36Å; Q240-T242 VanDerWaalsContact O-N 3.09Å; Q240-H243 PolarHBondContact O-N 3.35Å; Q240-S244 PolarHBondContact O-N 3.38Å; Q240-S244 VanDerWaalsContact O-N 3.15Å
241	R	88.9	Confident	87.4	Confident	60 Å²	60	70.1 Å²	70.1	23%	0.226	37%	0.366	C	S	.	.	H	α-helix	trans	-58.6	-21.5	171.5	-61.7	-179.3	-178.8	167.9	1.1	114.5	I237 H239 H243 G245 E246 S259	I237-R241 PolarHBondContact O-N 3.47Å; H239-R241 PolarHBondContact O-N 3.15Å; R241-H243 VanDerWaalsContact C-N 3.25Å; R241-G245 WeakPolarHBondContact O-CA 3.47Å; R241-G245 PolarHBondContact O-N 3.2Å; R241-G245 VanDerWaalsContact O-N 3.08Å; R241-E246 HydrophobicContact CB-CB 4.44Å; R241-E246 HydrophobicContact CG-CB 4.27Å; R241-S259 PolarHBondContact NH1-O 2.94Å
242	T	87.1	Confident	88	Confident	91 Å²	91	74.6 Å²	74.6	56%	0.558	38%	0.382	S	S	*	.	H	α-helix	trans	-74.2	-19.9	175.5	68.7	0	0	0	0	112.9	H239 Q240	H239-T242 PolarHBondContact CE1-OG1 3.15Å; H239-T242 PolarHBondContact ND1-OG1 3.29Å; H239-T242 WeakPolarHBondContact O-CB 3.42Å; H239-T242 PolarHBondContact O-N 3.23Å; H239-T242 PolarHBondContact O-OG1 3.36Å; Q240-T242 PolarHBondContact O-N 3.36Å; Q240-T242 VanDerWaalsContact O-N 3.09Å
243	H	86.6	Confident	88.4	Confident	74 Å²	74	76.6 Å²	76.6	34%	0.343	40%	0.395	S	S	.	.	H	α-helix	trans	-95.6	-46.2	178.1	-57	-52.1	0	0	0	111.6	E225 C226 H239 Q240 R241 G245	E225-H243 WeakPolarHBondContact OE2-CB 3.47Å; E225-H243 IonicContact OE2-CD2 3.84Å; E225-H243 PolarHBondContact OE2-CD2 2.83Å; E225-H243 IonicContact OE2-CG 3.11Å; E225-H243 IonicContact OE2-NE2 2.88Å; C226-H243 PolarHBondContact SG-NE2 3.15Å; C226-H243 VanDerWaalsContact SG-NE2 3.39Å; H239-H243 AromaticContact CD2-NE2 4Å; H239-H243 AromaticContact CE1-CE1 3.72Å; H239-H243 AromaticContact CE1-NE2 3.39Å; H239-H243 PolarHBondContact CE1-NE2 3.02Å; H239-H243 AromaticContact NE2-CD2 3.93Å; H239-H243 AromaticContact NE2-CE1 3.81Å; H239-H243 AromaticContact NE2-NE2 3.08Å; H239-H243 PolarHBondContact NE2-NE2 2.74Å; Q240-H243 PolarHBondContact O-N 3.35Å; R241-H243 VanDerWaalsContact C-N 3.25Å; H243-G245 PolarHBondContact O-N 2.89Å
244	S	86.3	Confident	88.8	Confident	66 Å²	66	74.7 Å²	74.7	46%	0.462	39%	0.389	S	S	.	.	H	α-helix	trans	-69.4	-18.3	175.5	64.9	0	0	0	0	113.2	Q240 E246	Q240-S244 PolarHBondContact O-N 3.38Å; Q240-S244 VanDerWaalsContact O-N 3.15Å; S244-E246 PolarHBondContact O-N 3.46Å; S244-E246 WeakPolarHBondContact OG-CB 3.28Å; S244-E246 WeakPolarHBondContact OG-CG 3.44Å; S244-E246 PolarHBondContact OG-N 2.83Å
245	G	85.8	Confident	89.2	Confident	46 Å²	46	73.1 Å²	73.1	47%	0.474	38%	0.384	S	S	.	.			trans	72.7	5.1	-175	0	0	0	0	0	113.6	R241 H243 K247	R241-G245 WeakPolarHBondContact O-CA 3.47Å; R241-G245 PolarHBondContact O-N 3.2Å; R241-G245 VanDerWaalsContact O-N 3.08Å; H243-G245 PolarHBondContact O-N 2.89Å; G245-K247 PolarHBondContact O-N 3.3Å
246	E	87.1	Confident	89.4	Confident	112 Å²	112	75.8 Å²	75.8	52%	0.523	40%	0.395	S	S	.	.			trans	-56	123.8	179.4	-80.8	173.5	-153.3	0	0	111.8	R241 S244	R241-E246 HydrophobicContact CB-CB 4.44Å; R241-E246 HydrophobicContact CG-CB 4.27Å; S244-E246 PolarHBondContact O-N 3.46Å; S244-E246 WeakPolarHBondContact OG-CB 3.28Å; S244-E246 WeakPolarHBondContact OG-CG 3.44Å; S244-E246 PolarHBondContact OG-N 2.83Å
247	K	90.2	Very high	89.7	Confident	125 Å²	125	76.9 Å²	76.9	54%	0.543	40%	0.404	S	S	.	.			trans	-128.8	77	178	-74.7	162.9	167.7	-169.4	0	109.2	G245 Y249 S257 F258	G245-K247 PolarHBondContact O-N 3.3Å; K247-Y249 PolarHBondContact O-N 3.09Å; K247-S257 VanDerWaalsContact CB-CB 3.47Å; K247-S257 VanDerWaalsContact CD-O 3.3Å; K247-S257 WeakPolarHBondContact CD-O 3.33Å; K247-S257 WeakPolarHBondContact O-CB 3.31Å; K247-F258 CarbonylContact C-O 3.51Å; K247-F258 VanDerWaalsContact C-O 3.23Å; K247-F258 VanDerWaalsContact CA-O 3.29Å; K247-F258 WeakPolarHBondContact CA-O 3.47Å
248	P	90.1	Very high	89.9	Confident	75 Å²	75	75.2 Å²	75.2	49%	0.487	39%	0.394	S	S	.	.			trans	-65.5	-12.6	-171.7	-22.4	34.6	0	0	0	114.7
249	Y	92.8	Very high	90	Very high	84 Å²	84	74 Å²	74	33%	0.329	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	95.7	-172.5	-56.4	-78.1	0	0	0	110	K247 S257 F258 R260 S261	K247-Y249 PolarHBondContact O-N 3.09Å; Y249-S257 CarbonylContact O-C 3.34Å; Y249-S257 WeakPolarHBondContact O-CA 3.43Å; Y249-F258 WeakPolarHBondContact CB-O 3.29Å; Y249-F258 WeakPolarHBondContact CD2-O 3.48Å; Y249-F258 PolarHBondContact N-O 3.37Å; Y249-F258 VanDerWaalsContact N-O 3.12Å; Y249-F258 PolarHBondContact O-N 3.02Å; Y249-R260 VanDerWaalsContact CD2-C 3.4Å; Y249-S261 VanDerWaalsContact CD2-N 3.31Å
250	E	93.4	Very high	90	Very high	118 Å²	118	77.5 Å²	77.5	55%	0.551	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	139.8	-179.7	-172.5	170.4	166.8	0	0	112.6
251	C	94.3	Very high	90.2	Very high	2 Å²	2	77 Å²	77	1%	0.014	41%	0.409	C	S	.	.			trans	-85.7	117.2	170	-179.6	0	0	0	0	109.8	E253 C254 G255 K256 F258 L264	C251-E253 PolarHBondContact O-N 2.75Å; C251-C254 PolarHBondContact O-N 3.14Å; C251-G255 WeakPolarHBondContact O-CA 3.46Å; C251-G255 PolarHBondContact O-N 3.33Å; C251-K256 VanDerWaalsContact CB-O 3.32Å; C251-K256 WeakPolarHBondContact CB-O 3.33Å; C251-K256 PolarHBondContact N-O 2.72Å; C251-F258 HydrophobicContact CB-CE2 4.43Å; C251-L264 HydrophobicContact CB-CD1 3.59Å
252	E	92.2	Very high	90.2	Very high	138 Å²	138	77.5 Å²	77.5	65%	0.645	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.7	-176.7	-54.1	-172.4	159.1	0	0	113.7	K66	K66-E252 WeakPolarHBondContact CE-OE1 3.42Å; K66-E252 IonicContact NZ-OE1 3.14Å; K66-E252 PolarHBondContact NZ-OE1 3.13Å; K66-E252 IonicContact NZ-OE2 2.77Å; K66-E252 PolarHBondContact NZ-OE2 2.97Å
253	E	90.6	Very high	90.4	Very high	139 Å²	139	76.4 Å²	76.4	65%	0.65	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-31.1	-177.2	-166.1	-178.5	146.8	0	0	113.2	C251 H271	C251-E253 PolarHBondContact O-N 2.75Å; E253-H271 WeakPolarHBondContact OE1-CB 3.41Å; E253-H271 IonicContact OE1-CE1 3.04Å; E253-H271 IonicContact OE1-CG 3.02Å; E253-H271 IonicContact OE1-ND1 3.97Å; E253-H271 PolarHBondContact OE1-ND1 3.03Å; E253-H271 WeakPolarHBondContact OE2-CB 3.36Å; E253-H271 IonicContact OE2-CD2 2.62Å; E253-H271 IonicContact OE2-CG 2.64Å; E253-H271 IonicContact OE2-ND1 2.93Å; E253-H271 PolarHBondContact OE2-ND1 2.77Å
254	C	91.9	Very high	90.7	Very high	52 Å²	52	73.9 Å²	73.9	35%	0.351	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.7	6.4	-178	70.8	0	0	0	0	115.4	C251 K256 H267 H271	C251-C254 PolarHBondContact O-N 3.14Å; C254-K256 PolarHBondContact O-N 2.98Å; C254-K256 VanDerWaalsContact O-N 3.14Å; C254-K256 VanDerWaalsContact SG-CG 3.56Å; C254-H267 PolarHBondContact SG-NE2 3.35Å; C254-H271 PolarHBondContact SG-NE2 2.95Å; C254-H271 VanDerWaalsContact SG-NE2 3.39Å
255	G	90	Very high	90.9	Very high	40 Å²	40	73 Å²	73	41%	0.412	40%	0.396	S	S	.	.			trans	65.3	11	-179.7	0	0	0	0	0	114.4	C251 S257	C251-G255 WeakPolarHBondContact O-CA 3.46Å; C251-G255 PolarHBondContact O-N 3.33Å; G255-S257 PolarHBondContact O-N 3.26Å
256	K	92	Very high	91.2	Very high	122 Å²	122	73.6 Å²	73.6	53%	0.53	39%	0.387	S	S	.	.			trans	-78.7	123.1	-179.8	-74.7	179.8	-174.3	165.5	0	110.5	C251 C254 F258	C251-K256 VanDerWaalsContact CB-O 3.32Å; C251-K256 WeakPolarHBondContact CB-O 3.33Å; C251-K256 PolarHBondContact N-O 2.72Å; C254-K256 PolarHBondContact O-N 2.98Å; C254-K256 VanDerWaalsContact O-N 3.14Å; C254-K256 VanDerWaalsContact SG-CG 3.56Å; K256-F258 HydrophobicContact CB-CE2 4Å; K256-F258 HydrophobicContact CB-CZ 4.14Å; K256-F258 WeakPolarHBondContact O-CD2 2.82Å; K256-F258 VanDerWaalsContact O-CE2 3.22Å; K256-F258 WeakPolarHBondContact O-CE2 3.28Å
257	S	93.1	Very high	91.4	Very high	36 Å²	36	69.4 Å²	69.4	25%	0.252	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	144.7	179.1	-33.6	0	0	0	0	113.4	K247 Y249 G255	K247-S257 VanDerWaalsContact CB-CB 3.47Å; K247-S257 VanDerWaalsContact CD-O 3.3Å; K247-S257 WeakPolarHBondContact CD-O 3.33Å; K247-S257 WeakPolarHBondContact O-CB 3.31Å; Y249-S257 CarbonylContact O-C 3.34Å; Y249-S257 WeakPolarHBondContact O-CA 3.43Å; G255-S257 PolarHBondContact O-N 3.26Å
258	F	91.7	Very high	91.5	Very high	43 Å²	43	67.9 Å²	67.9	19%	0.189	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	149.1	-176.6	-58.3	-90.5	0	0	0	111.2	K247 Y249 C251 K256 R260 H263 L264 H267	K247-F258 CarbonylContact C-O 3.51Å; K247-F258 VanDerWaalsContact C-O 3.23Å; K247-F258 VanDerWaalsContact CA-O 3.29Å; K247-F258 WeakPolarHBondContact CA-O 3.47Å; Y249-F258 WeakPolarHBondContact CB-O 3.29Å; Y249-F258 WeakPolarHBondContact CD2-O 3.48Å; Y249-F258 PolarHBondContact N-O 3.37Å; Y249-F258 VanDerWaalsContact N-O 3.12Å; Y249-F258 PolarHBondContact O-N 3.02Å; C251-F258 HydrophobicContact CB-CE2 4.43Å; K256-F258 HydrophobicContact CB-CE2 4Å; K256-F258 HydrophobicContact CB-CZ 4.14Å; K256-F258 WeakPolarHBondContact O-CD2 2.82Å; K256-F258 VanDerWaalsContact O-CE2 3.22Å; K256-F258 WeakPolarHBondContact O-CE2 3.28Å; F258-R260 VanDerWaalsContact C-N 3.29Å; F258-H263 HydrophobicContact CB-CB 4.25Å; F258-H263 HydrophobicContact CD1-CB 3.89Å; F258-H263 HydrophobicContact CG-CB 4.29Å; F258-L264 HydrophobicContact CB-CB 4.36Å; F258-L264 HydrophobicContact CD2-CB 3.86Å; F258-L264 HydrophobicContact CD2-CD1 3.79Å; F258-L264 HydrophobicContact CD2-CG 4.43Å; F258-L264 HydrophobicContact CE2-CD1 3.94Å; F258-L264 HydrophobicContact CG-CB 4.3Å; F258-H267 HydrophobicContact CE1-CB 3.98Å; F258-H267 HydrophobicContact CE2-CB 3.83Å; F258-H267 AromaticContact CE2-CD2 3.26Å; F258-H267 WeakPolarHBondContact CE2-CD2 3.37Å; F258-H267 AromaticContact CE2-CG 3.65Å; F258-H267 HydrophobicContact CZ-CB 3.39Å; F258-H267 AromaticContact CZ-CD2 3.31Å; F258-H267 WeakPolarHBondContact CZ-CD2 3.34Å; F258-H267 AromaticContact CZ-CG 3.24Å; F258-H267 AromaticContact CZ-ND1 3.97Å; F258-H267 AromaticContact CZ-NE2 4Å
259	S	90.1	Very high	91.6	Very high	34 Å²	34	67.6 Å²	67.6	24%	0.238	35%	0.351	C	S	.	.	S	Bend	trans	-80.9	-9.6	177	58.5	0	0	0	0	113.7	R241	R241-S259 PolarHBondContact NH1-O 2.94Å
260	R	89.2	Confident	91.5	Very high	94 Å²	94	67.9 Å²	67.9	36%	0.355	36%	0.361	S	S	.	.	S	Bend	trans	-137.1	135.1	-179.3	-56.3	-176.9	-173.5	-178.9	-9.1	110.4	Q238 Y249 F258 S262 H263 L264	Q238-R260 VanDerWaalsContact CD-CZ 3.42Å; Q238-R260 VanDerWaalsContact CD-NH2 3.26Å; Q238-R260 VanDerWaalsContact NE2-CD 3.34Å; Y249-R260 VanDerWaalsContact CD2-C 3.4Å; F258-R260 VanDerWaalsContact C-N 3.29Å; R260-S262 VanDerWaalsContact C-N 3.28Å; R260-S262 PolarHBondContact O-N 3.45Å; R260-H263 HydrophobicContact CB-CB 4.46Å; R260-H263 PolarHBondContact O-N 3.11Å; R260-H263 VanDerWaalsContact O-N 3.14Å; R260-L264 PolarHBondContact O-N 3.18Å
261	S	91.1	Very high	91.3	Very high	66 Å²	66	65 Å²	65	46%	0.462	35%	0.348	S	S	.	.	H	α-helix	trans	-59.1	-37.9	175.5	53.6	0	0	0	0	112.8	Y249 H263 L264 A265	Y249-S261 VanDerWaalsContact CD2-N 3.31Å; S261-H263 VanDerWaalsContact C-N 3.26Å; S261-H263 PolarHBondContact O-N 2.82Å; S261-L264 WeakPolarHBondContact O-CB 3.31Å; S261-L264 PolarHBondContact O-N 3.4Å; S261-L264 VanDerWaalsContact O-N 3.14Å; S261-A265 PolarHBondContact O-N 3.32Å
262	S	88.8	Confident	91.1	Very high	71 Å²	71	69.2 Å²	69.2	50%	0.497	37%	0.373	S	S	.	.	H	α-helix	trans	-61.9	-32.9	177.8	61.8	0	0	0	0	113.1	R260 Q266	R260-S262 VanDerWaalsContact C-N 3.28Å; R260-S262 PolarHBondContact O-N 3.45Å; S262-Q266 WeakPolarHBondContact O-CB 3.35Å; S262-Q266 PolarHBondContact O-N 3.5Å; S262-Q266 VanDerWaalsContact O-N 3.09Å
263	H	91.8	Very high	90.9	Very high	67 Å²	67	64.8 Å²	64.8	31%	0.31	37%	0.365	S	S	.	.	H	α-helix	trans	-75.7	-35.7	176	-64.9	173.5	0	0	0	111.4	F258 R260 S261 Q266 H267	F258-H263 HydrophobicContact CB-CB 4.25Å; F258-H263 HydrophobicContact CD1-CB 3.89Å; F258-H263 HydrophobicContact CG-CB 4.29Å; R260-H263 HydrophobicContact CB-CB 4.46Å; R260-H263 PolarHBondContact O-N 3.11Å; R260-H263 VanDerWaalsContact O-N 3.14Å; S261-H263 VanDerWaalsContact C-N 3.26Å; S261-H263 PolarHBondContact O-N 2.82Å; H263-Q266 PolarHBondContact O-N 3.48Å; H263-H267 VanDerWaalsContact O-CB 3.28Å; H263-H267 WeakPolarHBondContact O-CB 3.49Å; H263-H267 PolarHBondContact O-N 3.38Å
264	L	93.3	Very high	90.9	Very high	22 Å²	22	63.5 Å²	63.5	12%	0.115	36%	0.359	C	S	.	.	H	α-helix	trans	-61.7	-50	171.3	173.1	62.3	0	0	0	110.8	C251 F258 R260 S261 Q266 H267 Q268	C251-L264 HydrophobicContact CB-CD1 3.59Å; F258-L264 HydrophobicContact CB-CB 4.36Å; F258-L264 HydrophobicContact CD2-CB 3.86Å; F258-L264 HydrophobicContact CD2-CD1 3.79Å; F258-L264 HydrophobicContact CD2-CG 4.43Å; F258-L264 HydrophobicContact CE2-CD1 3.94Å; F258-L264 HydrophobicContact CG-CB 4.3Å; R260-L264 PolarHBondContact O-N 3.18Å; S261-L264 WeakPolarHBondContact O-CB 3.31Å; S261-L264 PolarHBondContact O-N 3.4Å; S261-L264 VanDerWaalsContact O-N 3.14Å; L264-Q266 VanDerWaalsContact C-N 3.27Å; L264-Q266 PolarHBondContact O-N 3.29Å; L264-H267 CarbonylContact O-C 3.31Å; L264-H267 WeakPolarHBondContact O-CA 3.48Å; L264-H267 WeakPolarHBondContact O-CB 3.2Å; L264-H267 PolarHBondContact O-N 2.84Å; L264-Q268 HydrophobicContact CD1-CG 4.23Å; L264-Q268 WeakPolarHBondContact O-CG 3.49Å; L264-Q268 PolarHBondContact O-N 3.09Å
265	A	90.3	Very high	91	Very high	47 Å²	47	67.3 Å²	67.3	39%	0.388	37%	0.37	S	S	.	.	H	α-helix	trans	-58.5	-39.4	178.1	0	0	0	0	0	112.4	S261	S261-A265 PolarHBondContact O-N 3.32Å
266	Q	91	Very high	91.1	Very high	59 Å²	59	69 Å²	69	28%	0.276	37%	0.374	S	S	.	.	H	α-helix	trans	-65.8	-41.6	173.1	171.9	177.6	52.4	0	0	112.4	S262 H263 L264 R269 E288	S262-Q266 WeakPolarHBondContact O-CB 3.35Å; S262-Q266 PolarHBondContact O-N 3.5Å; S262-Q266 VanDerWaalsContact O-N 3.09Å; H263-Q266 PolarHBondContact O-N 3.48Å; L264-Q266 VanDerWaalsContact C-N 3.27Å; L264-Q266 PolarHBondContact O-N 3.29Å; Q266-R269 WeakPolarHBondContact O-CB 3.21Å; Q266-R269 PolarHBondContact O-N 2.86Å; Q266-E288 PolarHBondContact NE2-OE1 3.28Å; Q266-E288 PolarHBondContact NE2-OE2 3.35Å
267	H	92.6	Very high	91.2	Very high	23 Å²	23	67 Å²	67	11%	0.106	36%	0.363	C	S	.	.	H	α-helix	trans	-66.3	-37.5	178.1	169	56.6	0	0	0	112.2	C254 F258 H263 L264 R269 T270 H271	C254-H267 PolarHBondContact SG-NE2 3.35Å; F258-H267 HydrophobicContact CE1-CB 3.98Å; F258-H267 HydrophobicContact CE2-CB 3.83Å; F258-H267 AromaticContact CE2-CD2 3.26Å; F258-H267 WeakPolarHBondContact CE2-CD2 3.37Å; F258-H267 AromaticContact CE2-CG 3.65Å; F258-H267 HydrophobicContact CZ-CB 3.39Å; F258-H267 AromaticContact CZ-CD2 3.31Å; F258-H267 WeakPolarHBondContact CZ-CD2 3.34Å; F258-H267 AromaticContact CZ-CG 3.24Å; F258-H267 AromaticContact CZ-ND1 3.97Å; F258-H267 AromaticContact CZ-NE2 4Å; H263-H267 VanDerWaalsContact O-CB 3.28Å; H263-H267 WeakPolarHBondContact O-CB 3.49Å; H263-H267 PolarHBondContact O-N 3.38Å; L264-H267 CarbonylContact O-C 3.31Å; L264-H267 WeakPolarHBondContact O-CA 3.48Å; L264-H267 WeakPolarHBondContact O-CB 3.2Å; L264-H267 PolarHBondContact O-N 2.84Å; H267-R269 PolarHBondContact O-N 3.03Å; H267-R269 VanDerWaalsContact O-N 3.14Å; H267-T270 PolarHBondContact ND1-OG1 3.18Å; H267-T270 VanDerWaalsContact O-CB 3.29Å; H267-T270 WeakPolarHBondContact O-CB 3.22Å; H267-T270 WeakPolarHBondContact O-CG2 3.35Å; H267-T270 PolarHBondContact O-N 3.21Å; H267-T270 PolarHBondContact O-OG1 3.47Å; H267-H271 AromaticContact CE1-NE2 3.43Å; H267-H271 PolarHBondContact CE1-NE2 3.33Å; H267-H271 AromaticContact NE2-CD2 3.93Å; H267-H271 AromaticContact NE2-NE2 3.31Å; H267-H271 PolarHBondContact NE2-NE2 3.11Å
268	Q	91.1	Very high	91.2	Very high	93 Å²	93	70.9 Å²	70.9	44%	0.435	38%	0.377	S	S	.	.	H	α-helix	trans	-56.1	-30.7	176	-75.4	172	-40.6	0	0	112.5	L264 T270 H271 T272	L264-Q268 HydrophobicContact CD1-CG 4.23Å; L264-Q268 WeakPolarHBondContact O-CG 3.49Å; L264-Q268 PolarHBondContact O-N 3.09Å; Q268-T270 PolarHBondContact O-N 2.86Å; Q268-T270 VanDerWaalsContact O-N 3.15Å; Q268-H271 WeakPolarHBondContact O-CB 3.39Å; Q268-H271 PolarHBondContact O-N 2.86Å; Q268-T272 PolarHBondContact O-N 3.35Å
269	R	92.1	Very high	91.3	Very high	70 Å²	70	68.8 Å²	68.8	26%	0.264	37%	0.368	S	S	.	.	H	α-helix	trans	-62.3	-21.4	173	-58.4	179.6	-173.5	163.9	2.8	114	Q266 H267 H271 G273 E274 S287	Q266-R269 WeakPolarHBondContact O-CB 3.21Å; Q266-R269 PolarHBondContact O-N 2.86Å; H267-R269 PolarHBondContact O-N 3.03Å; H267-R269 VanDerWaalsContact O-N 3.14Å; R269-H271 VanDerWaalsContact C-N 3.25Å; R269-G273 WeakPolarHBondContact O-CA 3.49Å; R269-G273 PolarHBondContact O-N 3.08Å; R269-E274 HydrophobicContact CB-CB 4.38Å; R269-E274 HydrophobicContact CG-CB 4.36Å; R269-E274 PolarHBondContact O-N 3.39Å; R269-S287 PolarHBondContact NH1-O 3.14Å
270	T	90.6	Very high	91.4	Very high	90 Å²	90	74.1 Å²	74.1	55%	0.552	39%	0.394	S	S	*	.	H	α-helix	trans	-73.2	-22.2	175.9	68.1	0	0	0	0	112.7	H267 Q268	H267-T270 PolarHBondContact ND1-OG1 3.18Å; H267-T270 VanDerWaalsContact O-CB 3.29Å; H267-T270 WeakPolarHBondContact O-CB 3.22Å; H267-T270 WeakPolarHBondContact O-CG2 3.35Å; H267-T270 PolarHBondContact O-N 3.21Å; H267-T270 PolarHBondContact O-OG1 3.47Å; Q268-T270 PolarHBondContact O-N 2.86Å; Q268-T270 VanDerWaalsContact O-N 3.15Å
271	H	90.3	Very high	91.5	Very high	58 Å²	58	75.4 Å²	75.4	27%	0.269	40%	0.404	S	S	.	.	H	α-helix	trans	-86.7	-49.5	176	-68.8	-74.4	0	0	0	111.7	E253 C254 H267 Q268 R269 G273	E253-H271 WeakPolarHBondContact OE1-CB 3.41Å; E253-H271 IonicContact OE1-CE1 3.04Å; E253-H271 IonicContact OE1-CG 3.02Å; E253-H271 IonicContact OE1-ND1 3.97Å; E253-H271 PolarHBondContact OE1-ND1 3.03Å; E253-H271 WeakPolarHBondContact OE2-CB 3.36Å; E253-H271 IonicContact OE2-CD2 2.62Å; E253-H271 IonicContact OE2-CG 2.64Å; E253-H271 IonicContact OE2-ND1 2.93Å; E253-H271 PolarHBondContact OE2-ND1 2.77Å; C254-H271 PolarHBondContact SG-NE2 2.95Å; C254-H271 VanDerWaalsContact SG-NE2 3.39Å; H267-H271 AromaticContact CE1-NE2 3.43Å; H267-H271 PolarHBondContact CE1-NE2 3.33Å; H267-H271 AromaticContact NE2-CD2 3.93Å; H267-H271 AromaticContact NE2-NE2 3.31Å; H267-H271 PolarHBondContact NE2-NE2 3.11Å; Q268-H271 WeakPolarHBondContact O-CB 3.39Å; Q268-H271 PolarHBondContact O-N 2.86Å; R269-H271 VanDerWaalsContact C-N 3.25Å; H271-G273 PolarHBondContact O-N 3.01Å
272	T	89.4	Confident	91.5	Very high	89 Å²	89	75.4 Å²	75.4	55%	0.546	40%	0.403	S	S	.	.	H	α-helix	trans	-71.4	-18.7	178.7	62.9	0	0	0	0	112.9	Q268 E274	Q268-T272 PolarHBondContact O-N 3.35Å; T272-E274 PolarHBondContact O-N 2.72Å; T272-E274 WeakPolarHBondContact OG1-CB 3.35Å; T272-E274 WeakPolarHBondContact OG1-CG 3.35Å; T272-E274 PolarHBondContact OG1-N 3.09Å
273	G	88.9	Confident	91.6	Very high	46 Å²	46	74 Å²	74	47%	0.474	40%	0.4	S	S	.	.			trans	72.1	7.5	-173.9	0	0	0	0	0	113.6	R269 H271 K275	R269-G273 WeakPolarHBondContact O-CA 3.49Å; R269-G273 PolarHBondContact O-N 3.08Å; H271-G273 PolarHBondContact O-N 3.01Å; G273-K275 PolarHBondContact O-N 3.39Å
274	E	90.6	Very high	91.6	Very high	111 Å²	111	78 Å²	78	52%	0.519	41%	0.412	S	S	.	.			trans	-56.3	127.2	179.4	-81.4	-179.6	-168.8	0	0	111.6	R269 T272	R269-E274 HydrophobicContact CB-CB 4.38Å; R269-E274 HydrophobicContact CG-CB 4.36Å; R269-E274 PolarHBondContact O-N 3.39Å; T272-E274 PolarHBondContact O-N 2.72Å; T272-E274 WeakPolarHBondContact OG1-CB 3.35Å; T272-E274 WeakPolarHBondContact OG1-CG 3.35Å; T272-E274 PolarHBondContact OG1-N 3.09Å
275	K	92.6	Very high	91.6	Very high	132 Å²	132	77.8 Å²	77.8	57%	0.574	42%	0.415	S	S	*	.			trans	-127.6	75.6	178.4	-75.8	164.8	177.2	179.9	0	109.7	G273 Y277 G285 F286	G273-K275 PolarHBondContact O-N 3.39Å; K275-Y277 PolarHBondContact O-N 2.93Å; K275-G285 WeakPolarHBondContact CD-O 3.42Å; K275-F286 CarbonylContact C-O 3.54Å; K275-F286 VanDerWaalsContact C-O 3.3Å; K275-F286 VanDerWaalsContact CA-O 3.31Å; K275-F286 WeakPolarHBondContact CA-O 3.46Å
276	P	91.8	Very high	91.8	Very high	77 Å²	77	76.8 Å²	76.8	50%	0.5	40%	0.402	S	S	.	.			trans	-63.9	-14.2	-173.5	-22.1	34.3	0	0	0	114.3
277	Y	94.1	Very high	91.8	Very high	80 Å²	80	75.7 Å²	75.7	31%	0.314	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	101.9	-175.1	-54.2	-72.6	0	0	0	110	K275 G285 F286 R289	K275-Y277 PolarHBondContact O-N 2.93Å; Y277-G285 CarbonylContact O-C 3.5Å; Y277-F286 PolarHBondContact N-O 3.35Å; Y277-F286 VanDerWaalsContact N-O 3.15Å; Y277-F286 PolarHBondContact O-N 2.94Å; Y277-R289 HydrophobicContact CD1-CB 3.92Å; Y277-R289 HydrophobicContact CD1-CG 4.4Å; Y277-R289 HydrophobicContact CD2-CB 4.38Å; Y277-R289 HydrophobicContact CE1-CB 3.77Å; Y277-R289 HydrophobicContact CE1-CG 4.41Å; Y277-R289 HydrophobicContact CE2-CB 4.22Å; Y277-R289 VanDerWaalsContact CE2-N 3.29Å; Y277-R289 HydrophobicContact CG-CB 4.22Å
278	E	93.4	Very high	91.7	Very high	116 Å²	116	77.5 Å²	77.5	54%	0.542	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	144.5	-179.9	-163.9	175	167.1	0	0	112.2	G283 L292	E278-G283 WeakPolarHBondContact OE1-CA 3.19Å; E278-L292 WeakPolarHBondContact O-CD2 3.17Å
279	C	94.4	Very high	91.7	Very high	0 Å²	0	81.2 Å²	81.2	0%	0	42%	0.419	C	S	.	.			trans	-85.1	118.2	169.6	-179	0	0	0	0	110.2	E281 C282 G283 R284 F286 L292 Y296	C279-E281 PolarHBondContact O-N 2.72Å; C279-C282 PolarHBondContact O-N 3.42Å; C279-C282 VanDerWaalsContact SG-SG 3.69Å; C279-G283 VanDerWaalsContact O-CA 3.28Å; C279-G283 WeakPolarHBondContact O-CA 3.48Å; C279-G283 PolarHBondContact O-N 3.05Å; C279-R284 WeakPolarHBondContact CB-O 3.42Å; C279-R284 PolarHBondContact N-O 3.09Å; C279-F286 HydrophobicContact CB-CE2 4.35Å; C279-L292 HydrophobicContact CB-CD1 3.7Å; C279-Y296 VanDerWaalsContact SG-CE1 3.52Å
280	N	92.2	Very high	91.6	Very high	145 Å²	145	80.1 Å²	80.1	78%	0.775	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.9	-177.9	-64.2	-9.2	0	0	0	113.3	Y296	N280-Y296 PolarHBondContact N-OH 3.22Å
281	E	90.8	Very high	91.7	Very high	121 Å²	121	78.1 Å²	78.1	57%	0.565	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-31.6	-179	-69.2	-170.1	-143.2	0	0	114	C279 H299	C279-E281 PolarHBondContact O-N 2.72Å; E281-H299 WeakPolarHBondContact OE2-CB 3.39Å; E281-H299 IonicContact OE2-CE1 3.32Å; E281-H299 IonicContact OE2-CG 2.76Å; E281-H299 IonicContact OE2-ND1 3.69Å; E281-H299 PolarHBondContact OE2-ND1 3.49Å
282	C	92.6	Very high	91.9	Very high	66 Å²	66	76.2 Å²	76.2	45%	0.446	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	4	-177.1	65.9	0	0	0	0	114.9	C279 R284 H295 H299	C279-C282 PolarHBondContact O-N 3.42Å; C279-C282 VanDerWaalsContact SG-SG 3.69Å; C282-R284 PolarHBondContact O-N 3.03Å; C282-R284 VanDerWaalsContact O-N 3.15Å; C282-R284 WeakPolarHBondContact SG-CB 3.29Å; C282-H295 PolarHBondContact SG-NE2 2.89Å; C282-H299 PolarHBondContact SG-NE2 2.83Å
283	G	89.8	Confident	92	Very high	41 Å²	41	76.1 Å²	76.1	42%	0.423	40%	0.395	S	S	.	.			trans	66.4	10.2	-178.2	0	0	0	0	0	114.1	E278 C279 G285	E278-G283 WeakPolarHBondContact OE1-CA 3.19Å; C279-G283 VanDerWaalsContact O-CA 3.28Å; C279-G283 WeakPolarHBondContact O-CA 3.48Å; C279-G283 PolarHBondContact O-N 3.05Å; G283-G285 PolarHBondContact O-N 3.44Å
284	R	92.9	Very high	92.1	Very high	152 Å²	152	77.6 Å²	77.6	57%	0.574	39%	0.389	S	S	*	.			trans	-77.7	119.9	-176.7	-172.2	172.2	179	175	3.4	110.5	C279 C282 F286	C279-R284 WeakPolarHBondContact CB-O 3.42Å; C279-R284 PolarHBondContact N-O 3.09Å; C282-R284 PolarHBondContact O-N 3.03Å; C282-R284 VanDerWaalsContact O-N 3.15Å; C282-R284 WeakPolarHBondContact SG-CB 3.29Å; R284-F286 HydrophobicContact CB-CE2 4.09Å; R284-F286 HydrophobicContact CB-CZ 4.35Å; R284-F286 HydrophobicContact CG-CE2 3.89Å; R284-F286 HydrophobicContact CG-CZ 3.79Å; R284-F286 WeakPolarHBondContact O-CD2 3.42Å; R284-F286 WeakPolarHBondContact O-CE2 3.47Å
285	G	93.2	Very high	92.3	Very high	17 Å²	17	73.4 Å²	73.4	18%	0.175	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	146.2	174	0	0	0	0	0	114.7	K275 Y277 G283	K275-G285 WeakPolarHBondContact CD-O 3.42Å; Y277-G285 CarbonylContact O-C 3.5Å; G283-G285 PolarHBondContact O-N 3.44Å
286	F	92.8	Very high	92.2	Very high	27 Å²	27	70.1 Å²	70.1	12%	0.118	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.2	175.9	-60.2	-91.1	0	0	0	110.9	K275 Y277 C279 R284 E288 D291 L292 H295	K275-F286 CarbonylContact C-O 3.54Å; K275-F286 VanDerWaalsContact C-O 3.3Å; K275-F286 VanDerWaalsContact CA-O 3.31Å; K275-F286 WeakPolarHBondContact CA-O 3.46Å; Y277-F286 PolarHBondContact N-O 3.35Å; Y277-F286 VanDerWaalsContact N-O 3.15Å; Y277-F286 PolarHBondContact O-N 2.94Å; C279-F286 HydrophobicContact CB-CE2 4.35Å; R284-F286 HydrophobicContact CB-CE2 4.09Å; R284-F286 HydrophobicContact CB-CZ 4.35Å; R284-F286 HydrophobicContact CG-CE2 3.89Å; R284-F286 HydrophobicContact CG-CZ 3.79Å; R284-F286 WeakPolarHBondContact O-CD2 3.42Å; R284-F286 WeakPolarHBondContact O-CE2 3.47Å; F286-E288 VanDerWaalsContact C-N 3.3Å; F286-D291 HydrophobicContact CB-CB 4.44Å; F286-D291 HydrophobicContact CD1-CB 3.85Å; F286-D291 HydrophobicContact CG-CB 4.43Å; F286-L292 HydrophobicContact CB-CB 4.27Å; F286-L292 HydrophobicContact CD2-CB 3.91Å; F286-L292 HydrophobicContact CD2-CD1 3.69Å; F286-L292 HydrophobicContact CD2-CG 4.39Å; F286-L292 HydrophobicContact CE2-CD1 3.86Å; F286-L292 HydrophobicContact CG-CB 4.19Å; F286-H295 HydrophobicContact CE1-CB 3.81Å; F286-H295 HydrophobicContact CE2-CB 3.89Å; F286-H295 AromaticContact CE2-CD2 3.37Å; F286-H295 WeakPolarHBondContact CE2-CD2 3.49Å; F286-H295 AromaticContact CE2-CG 3.67Å; F286-H295 HydrophobicContact CZ-CB 3.33Å; F286-H295 AromaticContact CZ-CD2 3.35Å; F286-H295 WeakPolarHBondContact CZ-CD2 3.35Å; F286-H295 AromaticContact CZ-CG 3.16Å; F286-H295 AromaticContact CZ-ND1 3.73Å; F286-H295 AromaticContact CZ-NE2 3.95Å
287	S	91.3	Very high	92.3	Very high	35 Å²	35	69 Å²	69	25%	0.245	34%	0.339	C	S	.	.	S	Bend	trans	-76.2	-20.1	175.5	53.1	0	0	0	0	112.7	R269	R269-S287 PolarHBondContact NH1-O 3.14Å
288	E	90.7	Very high	92.1	Very high	61 Å²	61	70.3 Å²	70.3	29%	0.285	36%	0.355	S	S	.	.			trans	-125.9	139.9	178.7	-63.3	-172.5	-146.3	0	0	112.9	Q266 F286 S290 D291 L292	Q266-E288 PolarHBondContact NE2-OE1 3.28Å; Q266-E288 PolarHBondContact NE2-OE2 3.35Å; F286-E288 VanDerWaalsContact C-N 3.3Å; E288-S290 PolarHBondContact O-N 3.02Å; E288-S290 PolarHBondContact OE2-OG 2.96Å; E288-D291 HydrophobicContact CB-CB 4.36Å; E288-D291 PolarHBondContact O-N 3.46Å; E288-L292 PolarHBondContact O-N 2.81Å
289	R	91.4	Very high	92	Very high	171 Å²	171	67.8 Å²	67.8	65%	0.645	34%	0.344	S	S	*	.	H	α-helix	trans	-60.4	-34.2	171	-174.2	174.8	178.1	165.1	1.7	112.1	Y277 D291 L292 I293	Y277-R289 HydrophobicContact CD1-CB 3.92Å; Y277-R289 HydrophobicContact CD1-CG 4.4Å; Y277-R289 HydrophobicContact CD2-CB 4.38Å; Y277-R289 HydrophobicContact CE1-CB 3.77Å; Y277-R289 HydrophobicContact CE1-CG 4.41Å; Y277-R289 HydrophobicContact CE2-CB 4.22Å; Y277-R289 VanDerWaalsContact CE2-N 3.29Å; Y277-R289 HydrophobicContact CG-CB 4.22Å; R289-D291 VanDerWaalsContact C-N 3.27Å; R289-D291 PolarHBondContact O-N 3.48Å; R289-L292 PolarHBondContact O-N 3.05Å; R289-I293 HydrophobicContact CG-CD1 4.12Å; R289-I293 WeakPolarHBondContact O-CG1 3.46Å; R289-I293 PolarHBondContact O-N 3.38Å
290	S	90.4	Very high	91.8	Very high	48 Å²	48	71.6 Å²	71.6	34%	0.336	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-37	-179.1	84.6	0	0	0	0	111.5	E288 K294	E288-S290 PolarHBondContact O-N 3.02Å; E288-S290 PolarHBondContact OE2-OG 2.96Å; S290-K294 VanDerWaalsContact O-CG 3.31Å; S290-K294 WeakPolarHBondContact O-CG 3.45Å; S290-K294 PolarHBondContact O-N 3.19Å; S290-K294 VanDerWaalsContact O-N 3.11Å
291	D	93.1	Very high	91.7	Very high	47 Å²	47	67 Å²	67	25%	0.251	35%	0.354	S	S	.	.	H	α-helix	trans	-77.5	-36	179.5	-66.7	-31	0	0	0	112.1	F286 E288 R289 I293 K294 H295	F286-D291 HydrophobicContact CB-CB 4.44Å; F286-D291 HydrophobicContact CD1-CB 3.85Å; F286-D291 HydrophobicContact CG-CB 4.43Å; E288-D291 HydrophobicContact CB-CB 4.36Å; E288-D291 PolarHBondContact O-N 3.46Å; R289-D291 VanDerWaalsContact C-N 3.27Å; R289-D291 PolarHBondContact O-N 3.48Å; D291-I293 VanDerWaalsContact C-N 3.33Å; D291-I293 PolarHBondContact O-N 3.23Å; D291-K294 PolarHBondContact O-N 3.23Å; D291-K294 IonicContact OD1-NZ 2.81Å; D291-K294 PolarHBondContact OD1-NZ 3.46Å; D291-H295 VanDerWaalsContact O-CB 3.29Å; D291-H295 WeakPolarHBondContact O-CB 3.39Å; D291-H295 PolarHBondContact O-N 3.41Å
292	L	93.9	Very high	91.8	Very high	18 Å²	18	66.6 Å²	66.6	9%	0.094	35%	0.352	C	S	.	.	H	α-helix	trans	-58.4	-45.6	170	175.7	61.5	0	0	0	111.2	E278 C279 F286 E288 R289 K294 H295 Y296	E278-L292 WeakPolarHBondContact O-CD2 3.17Å; C279-L292 HydrophobicContact CB-CD1 3.7Å; F286-L292 HydrophobicContact CB-CB 4.27Å; F286-L292 HydrophobicContact CD2-CB 3.91Å; F286-L292 HydrophobicContact CD2-CD1 3.69Å; F286-L292 HydrophobicContact CD2-CG 4.39Å; F286-L292 HydrophobicContact CE2-CD1 3.86Å; F286-L292 HydrophobicContact CG-CB 4.19Å; E288-L292 PolarHBondContact O-N 2.81Å; R289-L292 PolarHBondContact O-N 3.05Å; L292-K294 PolarHBondContact O-N 3.47Å; L292-H295 WeakPolarHBondContact O-CB 3.36Å; L292-H295 PolarHBondContact O-N 3.24Å; L292-H295 VanDerWaalsContact O-N 3.14Å; L292-Y296 HydrophobicContact CD1-CD2 3.88Å; L292-Y296 HydrophobicContact CD1-CE2 3.46Å; L292-Y296 VanDerWaalsContact CD1-CE2 3.46Å; L292-Y296 HydrophobicContact CD2-CE2 3.87Å; L292-Y296 HydrophobicContact CG-CD2 3.83Å; L292-Y296 HydrophobicContact CG-CE2 3.48Å; L292-Y296 VanDerWaalsContact CG-CE2 3.48Å; L292-Y296 VanDerWaalsContact O-CD2 3.31Å; L292-Y296 WeakPolarHBondContact O-CD2 3.47Å; L292-Y296 PolarHBondContact O-N 3.14Å
293	I	91.1	Very high	91.8	Very high	87 Å²	87	70.2 Å²	70.2	45%	0.446	36%	0.357	S	S	.	.	H	α-helix	trans	-62.6	-42.7	177.5	-67.2	166.5	0	0	0	111.3	R289 D291 H295 Y296	R289-I293 HydrophobicContact CG-CD1 4.12Å; R289-I293 WeakPolarHBondContact O-CG1 3.46Å; R289-I293 PolarHBondContact O-N 3.38Å; D291-I293 VanDerWaalsContact C-N 3.33Å; D291-I293 PolarHBondContact O-N 3.23Å; I293-H295 VanDerWaalsContact C-N 3.27Å; I293-H295 PolarHBondContact O-N 3.3Å; I293-Y296 PolarHBondContact O-N 2.83Å
294	K	92.3	Very high	91.9	Very high	77 Å²	77	72 Å²	72	34%	0.335	36%	0.36	S	S	.	.	H	α-helix	trans	-62.8	-37.5	174.8	-68	168.1	-151.5	154.3	0	111.2	S290 D291 L292 R297	S290-K294 VanDerWaalsContact O-CG 3.31Å; S290-K294 WeakPolarHBondContact O-CG 3.45Å; S290-K294 PolarHBondContact O-N 3.19Å; S290-K294 VanDerWaalsContact O-N 3.11Å; D291-K294 PolarHBondContact O-N 3.23Å; D291-K294 IonicContact OD1-NZ 2.81Å; D291-K294 PolarHBondContact OD1-NZ 3.46Å; L292-K294 PolarHBondContact O-N 3.47Å; K294-R297 WeakPolarHBondContact O-CB 3.44Å; K294-R297 PolarHBondContact O-N 3.46Å
295	H	93.6	Very high	92	Very high	23 Å²	23	68.3 Å²	68.3	11%	0.106	35%	0.347	C	S	.	.	H	α-helix	trans	-69.4	-39.4	179.4	171.7	66.1	0	0	0	112.8	C282 F286 D291 L292 I293 R297 V298 H299	C282-H295 PolarHBondContact SG-NE2 2.89Å; F286-H295 HydrophobicContact CE1-CB 3.81Å; F286-H295 HydrophobicContact CE2-CB 3.89Å; F286-H295 AromaticContact CE2-CD2 3.37Å; F286-H295 WeakPolarHBondContact CE2-CD2 3.49Å; F286-H295 AromaticContact CE2-CG 3.67Å; F286-H295 HydrophobicContact CZ-CB 3.33Å; F286-H295 AromaticContact CZ-CD2 3.35Å; F286-H295 WeakPolarHBondContact CZ-CD2 3.35Å; F286-H295 AromaticContact CZ-CG 3.16Å; F286-H295 AromaticContact CZ-ND1 3.73Å; F286-H295 AromaticContact CZ-NE2 3.95Å; D291-H295 VanDerWaalsContact O-CB 3.29Å; D291-H295 WeakPolarHBondContact O-CB 3.39Å; D291-H295 PolarHBondContact O-N 3.41Å; L292-H295 WeakPolarHBondContact O-CB 3.36Å; L292-H295 PolarHBondContact O-N 3.24Å; L292-H295 VanDerWaalsContact O-N 3.14Å; I293-H295 VanDerWaalsContact C-N 3.27Å; I293-H295 PolarHBondContact O-N 3.3Å; H295-R297 PolarHBondContact O-N 3.29Å; H295-V298 VanDerWaalsContact O-CB 3.23Å; H295-V298 WeakPolarHBondContact O-CB 3.35Å; H295-V298 WeakPolarHBondContact O-CG2 3.23Å; H295-V298 PolarHBondContact O-N 3.19Å; H295-H299 AromaticContact CE1-NE2 3.76Å; H295-H299 AromaticContact NE2-CD2 3.84Å; H295-H299 AromaticContact NE2-NE2 3.38Å; H295-H299 PolarHBondContact NE2-NE2 3.46Å
296	Y	91	Very high	92.1	Very high	64 Å²	64	73.1 Å²	73.1	25%	0.251	36%	0.363	S	S	.	.	H	α-helix	trans	-54.6	-26.1	176	-87.2	-60.8	0	0	0	113.2	C279 N280 L292 I293 V298 H299 T300	C279-Y296 VanDerWaalsContact SG-CE1 3.52Å; N280-Y296 PolarHBondContact N-OH 3.22Å; L292-Y296 HydrophobicContact CD1-CD2 3.88Å; L292-Y296 HydrophobicContact CD1-CE2 3.46Å; L292-Y296 VanDerWaalsContact CD1-CE2 3.46Å; L292-Y296 HydrophobicContact CD2-CE2 3.87Å; L292-Y296 HydrophobicContact CG-CD2 3.83Å; L292-Y296 HydrophobicContact CG-CE2 3.48Å; L292-Y296 VanDerWaalsContact CG-CE2 3.48Å; L292-Y296 VanDerWaalsContact O-CD2 3.31Å; L292-Y296 WeakPolarHBondContact O-CD2 3.47Å; L292-Y296 PolarHBondContact O-N 3.14Å; I293-Y296 PolarHBondContact O-N 2.83Å; Y296-V298 PolarHBondContact O-N 3.02Å; Y296-H299 WeakPolarHBondContact O-CB 3.31Å; Y296-H299 PolarHBondContact O-N 3.46Å; Y296-T300 PolarHBondContact O-N 3.44Å; Y296-T300 PolarHBondContact O-OG1 3.11Å
297	R	92.8	Very high	92.2	Very high	52 Å²	52	71.9 Å²	71.9	20%	0.196	36%	0.358	C	S	.	.	H	α-helix	trans	-63.1	-20.9	173.9	-59.9	179.2	-178.8	165.9	1.6	114.1	K294 H295 H299 T300 G301 E302 S315	K294-R297 WeakPolarHBondContact O-CB 3.44Å; K294-R297 PolarHBondContact O-N 3.46Å; H295-R297 PolarHBondContact O-N 3.29Å; R297-H299 VanDerWaalsContact C-N 3.32Å; R297-T300 WeakPolarHBondContact CA-OG1 3.4Å; R297-G301 WeakPolarHBondContact O-CA 3.29Å; R297-G301 PolarHBondContact O-N 3.02Å; R297-E302 HydrophobicContact CG-CB 4.42Å; R297-E302 PolarHBondContact O-N 2.84Å; R297-S315 WeakPolarHBondContact CD-O 3.31Å; R297-S315 PolarHBondContact NH1-O 3.16Å
298	V	91.5	Very high	92.3	Very high	108 Å²	108	77.3 Å²	77.3	66%	0.655	38%	0.384	S	S	*	.	H	α-helix	trans	-68.8	-36.7	173.5	179.6	0	0	0	0	110.5	H295 Y296	H295-V298 VanDerWaalsContact O-CB 3.23Å; H295-V298 WeakPolarHBondContact O-CB 3.35Å; H295-V298 WeakPolarHBondContact O-CG2 3.23Å; H295-V298 PolarHBondContact O-N 3.19Å; Y296-V298 PolarHBondContact O-N 3.02Å
299	H	91.1	Very high	92.3	Very high	63 Å²	63	79.2 Å²	79.2	29%	0.292	39%	0.393	S	S	.	.	H	α-helix	trans	-78.2	-49.2	-179.9	-70.7	-78.6	0	0	0	111.9	E281 C282 H295 Y296 R297 G301	E281-H299 WeakPolarHBondContact OE2-CB 3.39Å; E281-H299 IonicContact OE2-CE1 3.32Å; E281-H299 IonicContact OE2-CG 2.76Å; E281-H299 IonicContact OE2-ND1 3.69Å; E281-H299 PolarHBondContact OE2-ND1 3.49Å; C282-H299 PolarHBondContact SG-NE2 2.83Å; H295-H299 AromaticContact CE1-NE2 3.76Å; H295-H299 AromaticContact NE2-CD2 3.84Å; H295-H299 AromaticContact NE2-NE2 3.38Å; H295-H299 PolarHBondContact NE2-NE2 3.46Å; Y296-H299 WeakPolarHBondContact O-CB 3.31Å; Y296-H299 PolarHBondContact O-N 3.46Å; R297-H299 VanDerWaalsContact C-N 3.32Å; H299-G301 PolarHBondContact O-N 3.07Å
300	T	90.4	Very high	92.4	Very high	80 Å²	80	73.5 Å²	73.5	49%	0.491	38%	0.378	S	S	.	.	H	α-helix	trans	-74.3	-16.8	-179	62.7	0	0	0	0	113.2	Y296 R297 E302	Y296-T300 PolarHBondContact O-N 3.44Å; Y296-T300 PolarHBondContact O-OG1 3.11Å; R297-T300 WeakPolarHBondContact CA-OG1 3.4Å; T300-E302 PolarHBondContact O-N 3.04Å; T300-E302 WeakPolarHBondContact OG1-CB 3.24Å; T300-E302 WeakPolarHBondContact OG1-CG 3.4Å; T300-E302 PolarHBondContact OG1-N 2.68Å
301	G	90.1	Very high	92.5	Very high	49 Å²	49	72.7 Å²	72.7	51%	0.505	38%	0.378	S	S	.	.			trans	69.1	9.2	-173	0	0	0	0	0	113.8	R297 H299 R303	R297-G301 WeakPolarHBondContact O-CA 3.29Å; R297-G301 PolarHBondContact O-N 3.02Å; H299-G301 PolarHBondContact O-N 3.07Å; G301-R303 PolarHBondContact O-N 3.12Å
302	E	91.9	Very high	92.5	Very high	113 Å²	113	76.2 Å²	76.2	53%	0.528	39%	0.391	S	S	.	.			trans	-61.1	125.4	179.5	-78.8	-175.5	178.1	0	0	111.5	R297 T300	R297-E302 HydrophobicContact CG-CB 4.42Å; R297-E302 PolarHBondContact O-N 2.84Å; T300-E302 PolarHBondContact O-N 3.04Å; T300-E302 WeakPolarHBondContact OG1-CB 3.24Å; T300-E302 WeakPolarHBondContact OG1-CG 3.4Å; T300-E302 PolarHBondContact OG1-N 2.68Å
303	R	92.6	Very high	92.4	Very high	142 Å²	142	78.6 Å²	78.6	54%	0.536	40%	0.404	S	S	.	.			trans	-128.3	75.4	177.5	-65.2	172.9	82.3	152.5	4.5	109.6	G301 Y305 N313 F314	G301-R303 PolarHBondContact O-N 3.12Å; R303-Y305 PolarHBondContact O-N 3Å; R303-Y305 VanDerWaalsContact O-N 3.14Å; R303-N313 HydrophobicContact CB-CB 3.56Å; R303-N313 PolarHBondContact NE-O 2.74Å; R303-N313 PolarHBondContact NH2-O 2.92Å; R303-F314 CarbonylContact C-O 3.51Å; R303-F314 VanDerWaalsContact CA-O 3.25Å; R303-F314 WeakPolarHBondContact CA-O 3.49Å
304	P	92.2	Very high	92.6	Very high	77 Å²	77	75.9 Å²	75.9	50%	0.5	39%	0.389	S	S	.	.			trans	-66.1	-18.5	-169.7	-21.7	34.3	0	0	0	114.4
305	Y	95.2	Very high	92.6	Very high	76 Å²	76	74 Å²	74	30%	0.298	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	101.3	-171.5	-54.9	-78	0	0	0	110.1	R303 N313 F314 N317	R303-Y305 PolarHBondContact O-N 3Å; R303-Y305 VanDerWaalsContact O-N 3.14Å; Y305-N313 CarbonylContact O-C 3.56Å; Y305-N313 WeakPolarHBondContact O-CA 3.36Å; Y305-F314 WeakPolarHBondContact CD2-O 3.47Å; Y305-F314 PolarHBondContact N-O 3.13Å; Y305-F314 VanDerWaalsContact N-O 3.11Å; Y305-F314 PolarHBondContact O-N 3.38Å; Y305-N317 HydrophobicContact CD1-CB 3.79Å; Y305-N317 VanDerWaalsContact CD2-N 3.33Å; Y305-N317 HydrophobicContact CE1-CB 3.64Å; Y305-N317 HydrophobicContact CE2-CB 4.37Å; Y305-N317 HydrophobicContact CG-CB 4.23Å
306	K	94.2	Very high	92.5	Very high	118 Å²	118	76.3 Å²	76.3	51%	0.513	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	139.7	178.6	-173.5	-179.1	174.3	-169.5	0	111.3	N313 L320	K306-N313 WeakPolarHBondContact CB-OD1 3.36Å; K306-L320 WeakPolarHBondContact O-CD2 3.3Å
307	C	95.3	Very high	92.6	Very high	1 Å²	1	77.2 Å²	77.2	1%	0.007	41%	0.405	C	S	.	.			trans	-87.2	120.4	165.6	-179.7	0	0	0	0	109.5	E309 G311 K312 F314 L320	C307-E309 VanDerWaalsContact C-N 3.29Å; C307-E309 PolarHBondContact O-N 3.46Å; C307-G311 WeakPolarHBondContact O-CA 3.42Å; C307-G311 PolarHBondContact O-N 2.75Å; C307-K312 WeakPolarHBondContact CB-O 3.27Å; C307-K312 PolarHBondContact N-O 3.31Å; C307-F314 HydrophobicContact CB-CE2 4.19Å; C307-L320 HydrophobicContact CB-CD1 3.56Å
308	D	93.1	Very high	92.6	Very high	149 Å²	149	78 Å²	78	80%	0.797	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-24.8	-178.6	-60.3	-40.4	0	0	0	112.9
309	E	91.7	Very high	92.7	Very high	100 Å²	100	74.5 Å²	74.5	47%	0.467	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-33.5	-176.3	-63.1	167.9	-144	0	0	113	C307 R324 H327	C307-E309 VanDerWaalsContact C-N 3.29Å; C307-E309 PolarHBondContact O-N 3.46Å; E309-R324 IonicContact OE1-CZ 2.75Å; E309-R324 IonicContact OE1-NE 3.8Å; E309-R324 PolarHBondContact OE1-NE 3.39Å; E309-R324 IonicContact OE1-NH2 3.4Å; E309-R324 PolarHBondContact OE1-NH2 3.07Å; E309-H327 WeakPolarHBondContact OE2-CB 3.28Å; E309-H327 IonicContact OE2-CD2 3.37Å; E309-H327 PolarHBondContact OE2-CD2 2.91Å; E309-H327 IonicContact OE2-CG 2.63Å
310	C	93.2	Very high	92.8	Very high	51 Å²	51	72.4 Å²	72.4	35%	0.345	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.3	4.3	-179.5	71.5	0	0	0	0	115.1	K312 H323 H327	C310-K312 PolarHBondContact O-N 2.78Å; C310-K312 VanDerWaalsContact O-N 3.11Å; C310-K312 VanDerWaalsContact SG-CG 3.54Å; C310-H323 PolarHBondContact SG-NE2 3.34Å; C310-H327 PolarHBondContact SG-NE2 2.76Å
311	G	91.4	Very high	92.9	Very high	31 Å²	31	71.9 Å²	71.9	32%	0.32	38%	0.384	S	S	.	.			trans	70.4	-0	179.8	0	0	0	0	0	115.4	C307 N313	C307-G311 WeakPolarHBondContact O-CA 3.42Å; C307-G311 PolarHBondContact O-N 2.75Å; G311-N313 PolarHBondContact O-ND2 3.23Å
312	K	93	Very high	93	Very high	122 Å²	122	74.5 Å²	74.5	53%	0.53	38%	0.378	S	S	.	.			trans	-69.2	135.6	-179.1	-71.7	178.4	-177	171.6	0	111.3	C307 C310 F314	C307-K312 WeakPolarHBondContact CB-O 3.27Å; C307-K312 PolarHBondContact N-O 3.31Å; C310-K312 PolarHBondContact O-N 2.78Å; C310-K312 VanDerWaalsContact O-N 3.11Å; C310-K312 VanDerWaalsContact SG-CG 3.54Å; K312-F314 HydrophobicContact CB-CE2 3.9Å; K312-F314 HydrophobicContact CB-CZ 4.06Å; K312-F314 WeakPolarHBondContact O-CE2 3.26Å
313	N	93.7	Very high	93	Very high	68 Å²	68	70.7 Å²	70.7	36%	0.364	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	150.2	179.7	-61.1	-81.6	0	0	0	111	R303 Y305 K306 G311	R303-N313 HydrophobicContact CB-CB 3.56Å; R303-N313 PolarHBondContact NE-O 2.74Å; R303-N313 PolarHBondContact NH2-O 2.92Å; Y305-N313 CarbonylContact O-C 3.56Å; Y305-N313 WeakPolarHBondContact O-CA 3.36Å; K306-N313 WeakPolarHBondContact CB-OD1 3.36Å; G311-N313 PolarHBondContact O-ND2 3.23Å
314	F	93.4	Very high	93	Very high	30 Å²	30	69.5 Å²	69.5	13%	0.132	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146.2	-179.6	-61.3	-88.7	0	0	0	110.5	R303 Y305 C307 K312 Q316 D319 L320 H323	R303-F314 CarbonylContact C-O 3.51Å; R303-F314 VanDerWaalsContact CA-O 3.25Å; R303-F314 WeakPolarHBondContact CA-O 3.49Å; Y305-F314 WeakPolarHBondContact CD2-O 3.47Å; Y305-F314 PolarHBondContact N-O 3.13Å; Y305-F314 VanDerWaalsContact N-O 3.11Å; Y305-F314 PolarHBondContact O-N 3.38Å; C307-F314 HydrophobicContact CB-CE2 4.19Å; K312-F314 HydrophobicContact CB-CE2 3.9Å; K312-F314 HydrophobicContact CB-CZ 4.06Å; K312-F314 WeakPolarHBondContact O-CE2 3.26Å; F314-Q316 VanDerWaalsContact C-N 3.33Å; F314-D319 HydrophobicContact CB-CB 4.14Å; F314-D319 HydrophobicContact CD1-CB 3.81Å; F314-D319 HydrophobicContact CG-CB 4.26Å; F314-L320 HydrophobicContact CB-CB 4.31Å; F314-L320 HydrophobicContact CD2-CB 3.96Å; F314-L320 HydrophobicContact CD2-CD1 3.83Å; F314-L320 HydrophobicContact CE2-CD1 4.02Å; F314-L320 HydrophobicContact CG-CB 4.27Å; F314-H323 HydrophobicContact CE1-CB 3.86Å; F314-H323 HydrophobicContact CE2-CB 3.96Å; F314-H323 AromaticContact CE2-CD2 3.36Å; F314-H323 WeakPolarHBondContact CE2-CD2 3.27Å; F314-H323 AromaticContact CE2-CG 3.73Å; F314-H323 HydrophobicContact CZ-CB 3.44Å; F314-H323 VanDerWaalsContact CZ-CB 3.44Å; F314-H323 AromaticContact CZ-CD2 3.27Å; F314-H323 WeakPolarHBondContact CZ-CD2 3.43Å; F314-H323 AromaticContact CZ-CG 3.19Å; F314-H323 AromaticContact CZ-ND1 3.77Å; F314-H323 AromaticContact CZ-NE2 3.84Å
315	S	92.5	Very high	93	Very high	36 Å²	36	68.8 Å²	68.8	25%	0.252	34%	0.343	S	S	.	.	S	Bend	trans	-78.6	-18.4	177.9	55.8	0	0	0	0	112.8	R297	R297-S315 WeakPolarHBondContact CD-O 3.31Å; R297-S315 PolarHBondContact NH1-O 3.16Å
316	Q	92.8	Very high	92.7	Very high	73 Å²	73	68.9 Å²	68.9	34%	0.341	36%	0.36	S	S	.	.	S	Bend	trans	-132.6	145.8	177.6	-53	-173.4	21.7	0	0	111.6	F314 S318 D319 L320	F314-Q316 VanDerWaalsContact C-N 3.33Å; Q316-S318 VanDerWaalsContact C-N 3.32Å; Q316-S318 PolarHBondContact O-N 3.45Å; Q316-D319 WeakPolarHBondContact O-CB 3.33Å; Q316-D319 PolarHBondContact O-N 3.14Å; Q316-L320 PolarHBondContact O-N 3.34Å
317	N	93.4	Very high	92.5	Very high	83 Å²	83	67 Å²	67	44%	0.444	35%	0.353	S	S	.	.	H	α-helix	trans	-65.3	-35.8	177.9	-171.2	42.5	0	0	0	112.4	Y305 D319 L320 V321	Y305-N317 HydrophobicContact CD1-CB 3.79Å; Y305-N317 VanDerWaalsContact CD2-N 3.33Å; Y305-N317 HydrophobicContact CE1-CB 3.64Å; Y305-N317 HydrophobicContact CE2-CB 4.37Å; Y305-N317 HydrophobicContact CG-CB 4.23Å; N317-D319 PolarHBondContact O-N 3.23Å; N317-L320 WeakPolarHBondContact O-CB 3.43Å; N317-L320 PolarHBondContact O-N 2.91Å; N317-L320 VanDerWaalsContact O-N 3.16Å; N317-V321 WeakPolarHBondContact O-CG2 3.37Å; N317-V321 PolarHBondContact O-N 3.31Å
318	S	91.4	Very high	92.2	Very high	68 Å²	68	70.3 Å²	70.3	48%	0.476	37%	0.373	S	S	.	.	H	α-helix	trans	-58.2	-37.9	175.9	48.9	0	0	0	0	112	Q316 R322	Q316-S318 VanDerWaalsContact C-N 3.32Å; Q316-S318 PolarHBondContact O-N 3.45Å; S318-R322 WeakPolarHBondContact O-CB 3.41Å; S318-R322 PolarHBondContact O-N 2.89Å
319	D	93.3	Very high	92	Very high	35 Å²	35	65.6 Å²	65.6	19%	0.187	36%	0.36	C	S	.	.	H	α-helix	trans	-68.9	-40.8	176.2	-68.1	-39	0	0	0	112.1	F314 Q316 N317 R322 H323	F314-D319 HydrophobicContact CB-CB 4.14Å; F314-D319 HydrophobicContact CD1-CB 3.81Å; F314-D319 HydrophobicContact CG-CB 4.26Å; Q316-D319 WeakPolarHBondContact O-CB 3.33Å; Q316-D319 PolarHBondContact O-N 3.14Å; N317-D319 PolarHBondContact O-N 3.23Å; D319-R322 PolarHBondContact O-N 3.33Å; D319-R322 IonicContact OD1-CZ 2.98Å; D319-R322 IonicContact OD1-NE 3.09Å; D319-R322 IonicContact OD1-NH2 2.65Å; D319-R322 PolarHBondContact OD1-NH2 3.33Å; D319-H323 WeakPolarHBondContact O-CB 3.3Å; D319-H323 PolarHBondContact O-N 3.08Å
320	L	94.4	Very high	91.9	Very high	19 Å²	19	66.2 Å²	66.2	10%	0.099	36%	0.363	C	S	.	.	H	α-helix	trans	-61.5	-51.7	173.6	172.4	61.7	0	0	0	111.1	K306 C307 F314 Q316 N317 R322 H323 R324	K306-L320 WeakPolarHBondContact O-CD2 3.3Å; C307-L320 HydrophobicContact CB-CD1 3.56Å; F314-L320 HydrophobicContact CB-CB 4.31Å; F314-L320 HydrophobicContact CD2-CB 3.96Å; F314-L320 HydrophobicContact CD2-CD1 3.83Å; F314-L320 HydrophobicContact CE2-CD1 4.02Å; F314-L320 HydrophobicContact CG-CB 4.27Å; Q316-L320 PolarHBondContact O-N 3.34Å; N317-L320 WeakPolarHBondContact O-CB 3.43Å; N317-L320 PolarHBondContact O-N 2.91Å; N317-L320 VanDerWaalsContact O-N 3.16Å; L320-R322 VanDerWaalsContact C-N 3.27Å; L320-R322 PolarHBondContact O-N 2.98Å; L320-H323 CarbonylContact O-C 3.6Å; L320-H323 WeakPolarHBondContact O-CA 2.84Å; L320-H323 WeakPolarHBondContact O-CB 3.32Å; L320-H323 PolarHBondContact O-N 3.1Å; L320-R324 HydrophobicContact CD1-CG 4.17Å; L320-R324 WeakPolarHBondContact O-CG 3.16Å; L320-R324 PolarHBondContact O-N 3.06Å
321	V	91.7	Very high	91.9	Very high	69 Å²	69	69.1 Å²	69.1	42%	0.418	37%	0.369	S	S	.	.	H	α-helix	trans	-57.3	-43.9	178.5	172	0	0	0	0	110.7	N317 H323 R324 R325	N317-V321 WeakPolarHBondContact O-CG2 3.37Å; N317-V321 PolarHBondContact O-N 3.31Å; V321-H323 VanDerWaalsContact C-N 3.32Å; V321-H323 PolarHBondContact O-N 3.02Å; V321-R324 PolarHBondContact O-N 3.24Å; V321-R325 PolarHBondContact O-N 2.9Å
322	R	92.3	Very high	91.9	Very high	104 Å²	104	70.8 Å²	70.8	39%	0.392	38%	0.375	S	S	.	.	H	α-helix	trans	-64.9	-36.6	176.1	-179.6	172.5	67.6	173	-0.8	112.6	S318 D319 L320	S318-R322 WeakPolarHBondContact O-CB 3.41Å; S318-R322 PolarHBondContact O-N 2.89Å; D319-R322 PolarHBondContact O-N 3.33Å; D319-R322 IonicContact OD1-CZ 2.98Å; D319-R322 IonicContact OD1-NE 3.09Å; D319-R322 IonicContact OD1-NH2 2.65Å; D319-R322 PolarHBondContact OD1-NH2 3.33Å; L320-R322 VanDerWaalsContact C-N 3.27Å; L320-R322 PolarHBondContact O-N 2.98Å
323	H	93.3	Very high	91.9	Very high	32 Å²	32	68.4 Å²	68.4	15%	0.148	36%	0.363	C	S	.	.	H	α-helix	trans	-68.3	-40.9	176.6	171.7	63.3	0	0	0	111.9	C310 F314 D319 L320 V321 R325 A326 H327	C310-H323 PolarHBondContact SG-NE2 3.34Å; F314-H323 HydrophobicContact CE1-CB 3.86Å; F314-H323 HydrophobicContact CE2-CB 3.96Å; F314-H323 AromaticContact CE2-CD2 3.36Å; F314-H323 WeakPolarHBondContact CE2-CD2 3.27Å; F314-H323 AromaticContact CE2-CG 3.73Å; F314-H323 HydrophobicContact CZ-CB 3.44Å; F314-H323 VanDerWaalsContact CZ-CB 3.44Å; F314-H323 AromaticContact CZ-CD2 3.27Å; F314-H323 WeakPolarHBondContact CZ-CD2 3.43Å; F314-H323 AromaticContact CZ-CG 3.19Å; F314-H323 AromaticContact CZ-ND1 3.77Å; F314-H323 AromaticContact CZ-NE2 3.84Å; D319-H323 WeakPolarHBondContact O-CB 3.3Å; D319-H323 PolarHBondContact O-N 3.08Å; L320-H323 CarbonylContact O-C 3.6Å; L320-H323 WeakPolarHBondContact O-CA 2.84Å; L320-H323 WeakPolarHBondContact O-CB 3.32Å; L320-H323 PolarHBondContact O-N 3.1Å; V321-H323 VanDerWaalsContact C-N 3.32Å; V321-H323 PolarHBondContact O-N 3.02Å; H323-R325 PolarHBondContact O-N 2.93Å; H323-A326 WeakPolarHBondContact O-CB 3.46Å; H323-A326 PolarHBondContact O-N 3Å; H323-H327 AromaticContact CE1-NE2 3.68Å; H323-H327 AromaticContact NE2-CD2 3.95Å; H323-H327 AromaticContact NE2-NE2 3.23Å; H323-H327 PolarHBondContact NE2-NE2 3.04Å
324	R	91.6	Very high	91.9	Very high	118 Å²	118	70.3 Å²	70.3	45%	0.445	37%	0.369	S	S	.	.	H	α-helix	trans	-56.9	-32.2	177.5	-72.1	-168.4	70.3	-135.8	-4.8	113.1	E309 L320 V321 A326 H327 T328	E309-R324 IonicContact OE1-CZ 2.75Å; E309-R324 IonicContact OE1-NE 3.8Å; E309-R324 PolarHBondContact OE1-NE 3.39Å; E309-R324 IonicContact OE1-NH2 3.4Å; E309-R324 PolarHBondContact OE1-NH2 3.07Å; L320-R324 HydrophobicContact CD1-CG 4.17Å; L320-R324 WeakPolarHBondContact O-CG 3.16Å; L320-R324 PolarHBondContact O-N 3.06Å; V321-R324 PolarHBondContact O-N 3.24Å; R324-A326 PolarHBondContact O-N 3.45Å; R324-A326 VanDerWaalsContact O-N 3.14Å; R324-H327 WeakPolarHBondContact O-CB 3.24Å; R324-H327 PolarHBondContact O-N 3.35Å; R324-T328 PolarHBondContact O-N 2.83Å; R324-T328 VanDerWaalsContact O-N 3.09Å; R324-T328 PolarHBondContact O-OG1 3.28Å
325	R	91.8	Very high	92	Very high	61 Å²	61	69 Å²	69	23%	0.23	36%	0.364	C	S	.	.	H	α-helix	trans	-58.2	-25.8	172.5	-62.1	-179.7	-174.5	172.1	-0.2	113.8	V321 H323 H327 T328 G329 E330 S343	V321-R325 PolarHBondContact O-N 2.9Å; H323-R325 PolarHBondContact O-N 2.93Å; R325-H327 VanDerWaalsContact C-N 3.31Å; R325-T328 WeakPolarHBondContact CA-OG1 3.49Å; R325-G329 WeakPolarHBondContact O-CA 3.39Å; R325-G329 PolarHBondContact O-N 3.38Å; R325-E330 HydrophobicContact CB-CB 4.47Å; R325-E330 HydrophobicContact CG-CB 4.4Å; R325-E330 PolarHBondContact O-N 2.78Å; R325-S343 PolarHBondContact NH1-O 3.44Å; R325-S343 VanDerWaalsContact NH1-O 3.07Å
326	A	89.1	Confident	92	Very high	79 Å²	79	73.9 Å²	73.9	65%	0.653	39%	0.387	S	S	*	.	H	α-helix	trans	-73.9	-23.6	175.8	0	0	0	0	0	112.6	H323 R324	H323-A326 WeakPolarHBondContact O-CB 3.46Å; H323-A326 PolarHBondContact O-N 3Å; R324-A326 PolarHBondContact O-N 3.45Å; R324-A326 VanDerWaalsContact O-N 3.14Å
327	H	89.7	Confident	91.9	Very high	78 Å²	78	76.3 Å²	76.3	36%	0.361	40%	0.399	S	S	.	.	H	α-helix	trans	-85.1	-46.1	174.3	-66.4	-60	0	0	0	111.9	E309 C310 H323 R324 R325 G329	E309-H327 WeakPolarHBondContact OE2-CB 3.28Å; E309-H327 IonicContact OE2-CD2 3.37Å; E309-H327 PolarHBondContact OE2-CD2 2.91Å; E309-H327 IonicContact OE2-CG 2.63Å; C310-H327 PolarHBondContact SG-NE2 2.76Å; H323-H327 AromaticContact CE1-NE2 3.68Å; H323-H327 AromaticContact NE2-CD2 3.95Å; H323-H327 AromaticContact NE2-NE2 3.23Å; H323-H327 PolarHBondContact NE2-NE2 3.04Å; R324-H327 WeakPolarHBondContact O-CB 3.24Å; R324-H327 PolarHBondContact O-N 3.35Å; R325-H327 VanDerWaalsContact C-N 3.31Å; H327-G329 PolarHBondContact O-N 2.97Å
328	T	89.3	Confident	91.9	Very high	70 Å²	70	75 Å²	75	43%	0.429	40%	0.396	S	S	.	.	H	α-helix	trans	-73.2	-16.9	179.9	60.2	0	0	0	0	113	R324 R325 E330	R324-T328 PolarHBondContact O-N 2.83Å; R324-T328 VanDerWaalsContact O-N 3.09Å; R324-T328 PolarHBondContact O-OG1 3.28Å; R325-T328 WeakPolarHBondContact CA-OG1 3.49Å; T328-E330 PolarHBondContact O-N 3.09Å; T328-E330 WeakPolarHBondContact OG1-CB 3.48Å; T328-E330 WeakPolarHBondContact OG1-CG 3.49Å; T328-E330 PolarHBondContact OG1-N 2.94Å
329	G	88.8	Confident	91.8	Very high	51 Å²	51	74.1 Å²	74.1	53%	0.526	40%	0.397	S	S	.	.			trans	71.6	7.4	-172.9	0	0	0	0	0	113.5	R325 H327 K331	R325-G329 WeakPolarHBondContact O-CA 3.39Å; R325-G329 PolarHBondContact O-N 3.38Å; H327-G329 PolarHBondContact O-N 2.97Å; G329-K331 PolarHBondContact O-N 3.2Å
330	E	90.7	Very high	91.8	Very high	112 Å²	112	77.4 Å²	77.4	52%	0.523	41%	0.411	S	S	.	.			trans	-59	123	179.9	-80	179.5	-173.4	0	0	111.4	R325 T328	R325-E330 HydrophobicContact CB-CB 4.47Å; R325-E330 HydrophobicContact CG-CB 4.4Å; R325-E330 PolarHBondContact O-N 2.78Å; T328-E330 PolarHBondContact O-N 3.09Å; T328-E330 WeakPolarHBondContact OG1-CB 3.48Å; T328-E330 WeakPolarHBondContact OG1-CG 3.49Å; T328-E330 PolarHBondContact OG1-N 2.94Å
331	K	92.1	Very high	91.8	Very high	112 Å²	112	80 Å²	80	49%	0.487	43%	0.425	S	S	.	.			trans	-125.8	78.1	177.2	-72	166.6	160.3	-155.3	0	109.7	G329 Y333 N341 F342	G329-K331 PolarHBondContact O-N 3.2Å; K331-Y333 PolarHBondContact O-N 3.34Å; K331-Y333 VanDerWaalsContact O-N 3.16Å; K331-N341 HydrophobicContact CB-CB 3.63Å; K331-N341 HydrophobicContact CD-CB 3.95Å; K331-N341 VanDerWaalsContact CD-O 3.26Å; K331-N341 WeakPolarHBondContact CD-O 3.25Å; K331-N341 WeakPolarHBondContact CE-O 3.42Å; K331-N341 HydrophobicContact CG-CB 4.42Å; K331-N341 PolarHBondContact NZ-O 3.34Å; K331-F342 CarbonylContact C-O 3.57Å; K331-F342 VanDerWaalsContact C-O 3.23Å; K331-F342 VanDerWaalsContact CA-O 3.31Å; K331-F342 WeakPolarHBondContact CA-O 3.42Å
332	P	91.3	Very high	91.8	Very high	67 Å²	67	78.5 Å²	78.5	44%	0.435	41%	0.413	S	S	.	.			trans	-68.4	-15.9	-170.2	-20.8	33.9	0	0	0	114.6
333	Y	94.2	Very high	91.8	Very high	71 Å²	71	75.3 Å²	75.3	28%	0.278	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	112.7	-172.8	-52.5	-77.7	0	0	0	109.4	K331 F342 R344 I345	K331-Y333 PolarHBondContact O-N 3.34Å; K331-Y333 VanDerWaalsContact O-N 3.16Å; Y333-F342 WeakPolarHBondContact CD2-O 3.36Å; Y333-F342 PolarHBondContact N-O 3.35Å; Y333-F342 VanDerWaalsContact N-O 3.13Å; Y333-F342 PolarHBondContact O-N 3.19Å; Y333-R344 VanDerWaalsContact CD2-C 3.49Å; Y333-I345 HydrophobicContact CD1-CB 3.92Å; Y333-I345 HydrophobicContact CD1-CD1 4.41Å; Y333-I345 HydrophobicContact CD1-CG1 4.18Å; Y333-I345 HydrophobicContact CD2-CB 4.47Å; Y333-I345 HydrophobicContact CE1-CB 3.83Å; Y333-I345 HydrophobicContact CE1-CD1 4.26Å; Y333-I345 HydrophobicContact CE1-CG1 4.32Å; Y333-I345 HydrophobicContact CE2-CB 4.38Å; Y333-I345 HydrophobicContact CG-CB 4.25Å
334	H	93.9	Very high	91.7	Very high	108 Å²	108	78.1 Å²	78.1	50%	0.5	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	147.3	-178	57.8	-84.2	0	0	0	111.4	N336 E340 N341 L348	H334-N336 PolarHBondContact CD2-OD1 2.93Å; H334-N336 PolarHBondContact NE2-OD1 3.38Å; H334-E340 CarbonylContact C-O 3.16Å; H334-N341 WeakPolarHBondContact CB-OD1 3.39Å; H334-L348 WeakPolarHBondContact O-CD2 3.41Å
335	C	94.9	Very high	91.8	Very high	2 Å²	2	77.2 Å²	77.2	1%	0.014	42%	0.419	C	S	.	.			trans	-90.5	122.9	171.2	-177	0	0	0	0	109.9	E337 C338 G339 E340 F342 L348 H355	C335-E337 PolarHBondContact O-N 3.35Å; C335-C338 VanDerWaalsContact SG-SG 3.61Å; C335-G339 WeakPolarHBondContact O-CA 3.46Å; C335-G339 PolarHBondContact O-N 3.34Å; C335-E340 PolarHBondContact N-O 3.1Å; C335-F342 HydrophobicContact CB-CE2 4.28Å; C335-L348 HydrophobicContact CB-CD1 3.67Å; C335-H355 PolarHBondContact SG-NE2 3.43Å
336	N	92.3	Very high	91.8	Very high	139 Å²	139	77.8 Å²	77.8	74%	0.743	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-19.6	-179.4	-65.3	-17.8	0	0	0	113.5	H334	H334-N336 PolarHBondContact CD2-OD1 2.93Å; H334-N336 PolarHBondContact NE2-OD1 3.38Å
337	E	91.5	Very high	92	Very high	124 Å²	124	77.6 Å²	77.6	58%	0.579	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-35.1	-174.4	-67	173.5	-177.9	0	0	113.1	C335 H355	C335-E337 PolarHBondContact O-N 3.35Å; E337-H355 WeakPolarHBondContact OE2-CB 3.34Å; E337-H355 IonicContact OE2-CD2 3.87Å; E337-H355 PolarHBondContact OE2-CD2 3.05Å; E337-H355 IonicContact OE2-CG 2.98Å; E337-H355 IonicContact OE2-NE2 3.56Å
338	C	92.4	Very high	92.2	Very high	57 Å²	57	74.7 Å²	74.7	39%	0.385	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-2.6	-178.5	67.4	0	0	0	0	114.3	C335 E340 H351 H355	C335-C338 VanDerWaalsContact SG-SG 3.61Å; C338-E340 PolarHBondContact O-N 3.25Å; C338-E340 VanDerWaalsContact SG-CB 3.57Å; C338-H351 PolarHBondContact SG-NE2 2.79Å; C338-H355 PolarHBondContact SG-NE2 3.36Å
339	G	89.9	Confident	92.4	Very high	48 Å²	48	74.5 Å²	74.5	50%	0.495	40%	0.403	S	S	.	.			trans	74	0.8	-178.9	0	0	0	0	0	115.2	C335 N341	C335-G339 WeakPolarHBondContact O-CA 3.46Å; C335-G339 PolarHBondContact O-N 3.34Å; G339-N341 PolarHBondContact O-ND2 2.81Å
340	E	92.9	Very high	92.6	Very high	105 Å²	105	74.8 Å²	74.8	49%	0.491	39%	0.391	S	S	.	.			trans	-66.2	140.7	180	-80.3	-69.5	163.1	0	0	112.4	H334 C335 C338 F342	H334-E340 CarbonylContact C-O 3.16Å; C335-E340 PolarHBondContact N-O 3.1Å; C338-E340 PolarHBondContact O-N 3.25Å; C338-E340 VanDerWaalsContact SG-CB 3.57Å; E340-F342 HydrophobicContact CB-CE2 3.8Å; E340-F342 HydrophobicContact CB-CZ 3.98Å
341	N	93.4	Very high	92.7	Very high	73 Å²	73	71.2 Å²	71.2	39%	0.39	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.5	-175.1	-63.9	-68.5	0	0	0	111.7	K331 H334 G339	K331-N341 HydrophobicContact CB-CB 3.63Å; K331-N341 HydrophobicContact CD-CB 3.95Å; K331-N341 VanDerWaalsContact CD-O 3.26Å; K331-N341 WeakPolarHBondContact CD-O 3.25Å; K331-N341 WeakPolarHBondContact CE-O 3.42Å; K331-N341 HydrophobicContact CG-CB 4.42Å; K331-N341 PolarHBondContact NZ-O 3.34Å; H334-N341 WeakPolarHBondContact CB-OD1 3.39Å; G339-N341 PolarHBondContact O-ND2 2.81Å
342	F	92.8	Very high	92.7	Very high	37 Å²	37	69.2 Å²	69.2	16%	0.162	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.6	-176.1	-58.9	-88.5	0	0	0	111.8	K331 Y333 C335 E340 R344 H347 L348 H351	K331-F342 CarbonylContact C-O 3.57Å; K331-F342 VanDerWaalsContact C-O 3.23Å; K331-F342 VanDerWaalsContact CA-O 3.31Å; K331-F342 WeakPolarHBondContact CA-O 3.42Å; Y333-F342 WeakPolarHBondContact CD2-O 3.36Å; Y333-F342 PolarHBondContact N-O 3.35Å; Y333-F342 VanDerWaalsContact N-O 3.13Å; Y333-F342 PolarHBondContact O-N 3.19Å; C335-F342 HydrophobicContact CB-CE2 4.28Å; E340-F342 HydrophobicContact CB-CE2 3.8Å; E340-F342 HydrophobicContact CB-CZ 3.98Å; F342-R344 VanDerWaalsContact C-N 3.3Å; F342-H347 HydrophobicContact CB-CB 4.39Å; F342-H347 HydrophobicContact CD1-CB 3.83Å; F342-H347 HydrophobicContact CG-CB 4.4Å; F342-L348 HydrophobicContact CB-CB 4.25Å; F342-L348 HydrophobicContact CD2-CB 3.92Å; F342-L348 HydrophobicContact CD2-CD1 3.77Å; F342-L348 HydrophobicContact CD2-CG 4.45Å; F342-L348 HydrophobicContact CE2-CD1 3.95Å; F342-L348 HydrophobicContact CG-CB 4.18Å; F342-H351 HydrophobicContact CE1-CB 3.84Å; F342-H351 HydrophobicContact CE2-CB 4Å; F342-H351 AromaticContact CE2-CD2 3.47Å; F342-H351 VanDerWaalsContact CE2-CD2 3.47Å; F342-H351 WeakPolarHBondContact CE2-CD2 3.41Å; F342-H351 AromaticContact CE2-CG 3.77Å; F342-H351 HydrophobicContact CZ-CB 3.41Å; F342-H351 VanDerWaalsContact CZ-CB 3.41Å; F342-H351 AromaticContact CZ-CD2 3.4Å; F342-H351 VanDerWaalsContact CZ-CD2 3.4Å; F342-H351 WeakPolarHBondContact CZ-CD2 3.49Å; F342-H351 AromaticContact CZ-CG 3.22Å; F342-H351 AromaticContact CZ-ND1 3.8Å
343	S	92.1	Very high	92.8	Very high	38 Å²	38	68.6 Å²	68.6	27%	0.266	36%	0.356	S	S	.	.	S	Bend	trans	-80.3	-12	175.9	58.8	0	0	0	0	113.7	R325	R325-S343 PolarHBondContact NH1-O 3.44Å; R325-S343 VanDerWaalsContact NH1-O 3.07Å
344	R	92	Very high	92.7	Very high	90 Å²	90	69.7 Å²	69.7	34%	0.34	37%	0.37	S	S	.	.	S	Bend	trans	-137.8	136.3	-178.5	-59.4	-178.2	-174	-179.6	-4.9	110.9	Y333 F342 S346 H347 L348	Y333-R344 VanDerWaalsContact CD2-C 3.49Å; F342-R344 VanDerWaalsContact C-N 3.3Å; R344-S346 VanDerWaalsContact C-N 3.31Å; R344-S346 PolarHBondContact O-N 3.47Å; R344-H347 HydrophobicContact CB-CB 4.44Å; R344-H347 WeakPolarHBondContact O-CB 3.17Å; R344-H347 PolarHBondContact O-N 2.83Å; R344-H347 VanDerWaalsContact O-N 3.14Å; R344-L348 PolarHBondContact O-N 3.31Å
345	I	92.9	Very high	92.6	Very high	100 Å²	100	68.2 Å²	68.2	51%	0.513	36%	0.363	S	S	.	.	H	α-helix	trans	-61.9	-36.2	177.5	-165	166.7	0	0	0	112.8	Y333 H347 L348 V349	Y333-I345 HydrophobicContact CD1-CB 3.92Å; Y333-I345 HydrophobicContact CD1-CD1 4.41Å; Y333-I345 HydrophobicContact CD1-CG1 4.18Å; Y333-I345 HydrophobicContact CD2-CB 4.47Å; Y333-I345 HydrophobicContact CE1-CB 3.83Å; Y333-I345 HydrophobicContact CE1-CD1 4.26Å; Y333-I345 HydrophobicContact CE1-CG1 4.32Å; Y333-I345 HydrophobicContact CE2-CB 4.38Å; Y333-I345 HydrophobicContact CG-CB 4.25Å; I345-H347 PolarHBondContact O-N 3.04Å; I345-L348 WeakPolarHBondContact O-CB 3.32Å; I345-L348 PolarHBondContact O-N 3.11Å; I345-L348 VanDerWaalsContact O-N 3.11Å; I345-V349 HydrophobicContact CG1-CG2 4.4Å; I345-V349 WeakPolarHBondContact O-CG2 3.4Å; I345-V349 PolarHBondContact O-N 3.14Å
346	S	91.6	Very high	92.4	Very high	72 Å²	72	71.9 Å²	71.9	50%	0.503	39%	0.385	S	S	.	.	H	α-helix	trans	-63.8	-30.8	177.5	57.4	0	0	0	0	112.9	R344 Q350	R344-S346 VanDerWaalsContact C-N 3.31Å; R344-S346 PolarHBondContact O-N 3.47Å; S346-Q350 VanDerWaalsContact O-CB 3.24Å; S346-Q350 WeakPolarHBondContact O-CB 3.39Å; S346-Q350 PolarHBondContact O-N 3.2Å; S346-Q350 VanDerWaalsContact O-N 3.08Å
347	H	92.9	Very high	92.3	Very high	75 Å²	75	67.5 Å²	67.5	35%	0.347	37%	0.373	S	S	.	.	H	α-helix	trans	-74	-38.3	174.4	-63.7	-178.5	0	0	0	111	F342 R344 I345 Q350 H351	F342-H347 HydrophobicContact CB-CB 4.39Å; F342-H347 HydrophobicContact CD1-CB 3.83Å; F342-H347 HydrophobicContact CG-CB 4.4Å; R344-H347 HydrophobicContact CB-CB 4.44Å; R344-H347 WeakPolarHBondContact O-CB 3.17Å; R344-H347 PolarHBondContact O-N 2.83Å; R344-H347 VanDerWaalsContact O-N 3.14Å; I345-H347 PolarHBondContact O-N 3.04Å; H347-Q350 PolarHBondContact O-N 2.83Å; H347-H351 VanDerWaalsContact O-CB 3.25Å; H347-H351 WeakPolarHBondContact O-CB 3.33Å; H347-H351 PolarHBondContact O-N 3.08Å
348	L	94.6	Very high	92.3	Very high	17 Å²	17	66.8 Å²	66.8	9%	0.089	37%	0.37	C	S	.	.	H	α-helix	trans	-61	-51.8	172.8	172	62.2	0	0	0	111.2	H334 C335 F342 R344 I345 Q350 H351 Q352	H334-L348 WeakPolarHBondContact O-CD2 3.41Å; C335-L348 HydrophobicContact CB-CD1 3.67Å; F342-L348 HydrophobicContact CB-CB 4.25Å; F342-L348 HydrophobicContact CD2-CB 3.92Å; F342-L348 HydrophobicContact CD2-CD1 3.77Å; F342-L348 HydrophobicContact CD2-CG 4.45Å; F342-L348 HydrophobicContact CE2-CD1 3.95Å; F342-L348 HydrophobicContact CG-CB 4.18Å; R344-L348 PolarHBondContact O-N 3.31Å; I345-L348 WeakPolarHBondContact O-CB 3.32Å; I345-L348 PolarHBondContact O-N 3.11Å; I345-L348 VanDerWaalsContact O-N 3.11Å; L348-Q350 VanDerWaalsContact C-N 3.27Å; L348-Q350 PolarHBondContact O-N 3.47Å; L348-H351 CarbonylContact O-C 3.46Å; L348-H351 WeakPolarHBondContact O-CA 3.13Å; L348-H351 WeakPolarHBondContact O-CB 3.43Å; L348-H351 PolarHBondContact O-N 3.47Å; L348-Q352 HydrophobicContact CD1-CG 4.18Å; L348-Q352 WeakPolarHBondContact O-CG 3.15Å; L348-Q352 PolarHBondContact O-N 3.11Å
349	V	92.9	Very high	92.3	Very high	66 Å²	66	70 Å²	70	40%	0.4	38%	0.377	S	S	.	.	H	α-helix	trans	-58.9	-41.2	178.9	172.4	0	0	0	0	111.1	I345 H351 Q352	I345-V349 HydrophobicContact CG1-CG2 4.4Å; I345-V349 WeakPolarHBondContact O-CG2 3.4Å; I345-V349 PolarHBondContact O-N 3.14Å; V349-H351 VanDerWaalsContact C-N 3.34Å; V349-Q352 PolarHBondContact O-N 2.83Å
350	Q	92.7	Very high	92.5	Very high	58 Å²	58	71.2 Å²	71.2	27%	0.271	38%	0.376	S	S	.	.	H	α-helix	trans	-66.4	-37.1	175.3	177.5	177.3	82	0	0	112.8	S346 H347 L348 R353 R372	S346-Q350 VanDerWaalsContact O-CB 3.24Å; S346-Q350 WeakPolarHBondContact O-CB 3.39Å; S346-Q350 PolarHBondContact O-N 3.2Å; S346-Q350 VanDerWaalsContact O-N 3.08Å; H347-Q350 PolarHBondContact O-N 2.83Å; L348-Q350 VanDerWaalsContact C-N 3.27Å; L348-Q350 PolarHBondContact O-N 3.47Å; Q350-R353 WeakPolarHBondContact O-CB 3.46Å; Q350-R353 PolarHBondContact O-N 3.28Å; Q350-R372 VanDerWaalsContact OE1-CZ 3.31Å
351	H	93.6	Very high	92.6	Very high	36 Å²	36	69.9 Å²	69.9	17%	0.167	37%	0.367	C	S	.	.	H	α-helix	trans	-67.9	-40.3	175.9	168.8	69.3	0	0	0	111.6	C338 F342 H347 L348 V349 R353 T354 H355	C338-H351 PolarHBondContact SG-NE2 2.79Å; F342-H351 HydrophobicContact CE1-CB 3.84Å; F342-H351 HydrophobicContact CE2-CB 4Å; F342-H351 AromaticContact CE2-CD2 3.47Å; F342-H351 VanDerWaalsContact CE2-CD2 3.47Å; F342-H351 WeakPolarHBondContact CE2-CD2 3.41Å; F342-H351 AromaticContact CE2-CG 3.77Å; F342-H351 HydrophobicContact CZ-CB 3.41Å; F342-H351 VanDerWaalsContact CZ-CB 3.41Å; F342-H351 AromaticContact CZ-CD2 3.4Å; F342-H351 VanDerWaalsContact CZ-CD2 3.4Å; F342-H351 WeakPolarHBondContact CZ-CD2 3.49Å; F342-H351 AromaticContact CZ-CG 3.22Å; F342-H351 AromaticContact CZ-ND1 3.8Å; H347-H351 VanDerWaalsContact O-CB 3.25Å; H347-H351 WeakPolarHBondContact O-CB 3.33Å; H347-H351 PolarHBondContact O-N 3.08Å; L348-H351 CarbonylContact O-C 3.46Å; L348-H351 WeakPolarHBondContact O-CA 3.13Å; L348-H351 WeakPolarHBondContact O-CB 3.43Å; L348-H351 PolarHBondContact O-N 3.47Å; V349-H351 VanDerWaalsContact C-N 3.34Å; H351-R353 PolarHBondContact O-N 3.24Å; H351-R353 VanDerWaalsContact O-N 3.08Å; H351-T354 WeakPolarHBondContact O-CB 3.38Å; H351-T354 PolarHBondContact O-N 3.19Å; H351-T354 PolarHBondContact O-OG1 3.41Å; H351-H355 AromaticContact CD2-NE2 3.82Å; H351-H355 AromaticContact CE1-CE1 3.85Å; H351-H355 AromaticContact CE1-NE2 3.54Å; H351-H355 AromaticContact NE2-CD2 3.94Å; H351-H355 AromaticContact NE2-CE1 3.73Å; H351-H355 AromaticContact NE2-NE2 3.02Å; H351-H355 PolarHBondContact NE2-NE2 3.18Å
352	Q	92.6	Very high	92.7	Very high	71 Å²	71	71.7 Å²	71.7	33%	0.332	37%	0.373	S	S	.	.	H	α-helix	trans	-55.6	-30.9	176.9	-74.4	172	-42.1	0	0	112.7	L348 V349 T354 H355 T356	L348-Q352 HydrophobicContact CD1-CG 4.18Å; L348-Q352 WeakPolarHBondContact O-CG 3.15Å; L348-Q352 PolarHBondContact O-N 3.11Å; V349-Q352 PolarHBondContact O-N 2.83Å; Q352-T354 PolarHBondContact O-N 2.89Å; Q352-T354 VanDerWaalsContact O-N 3.15Å; Q352-H355 PolarHBondContact O-N 3.03Å; Q352-T356 PolarHBondContact O-N 3.44Å; Q352-T356 PolarHBondContact O-OG1 3.13Å
353	R	93.1	Very high	92.8	Very high	54 Å²	54	70 Å²	70	20%	0.204	37%	0.366	C	S	.	.	H	α-helix	trans	-61.4	-20.1	173	-61.4	178.3	-178.7	174.2	-1.4	114.2	Q350 H351 H355 G357 E358 S371	Q350-R353 WeakPolarHBondContact O-CB 3.46Å; Q350-R353 PolarHBondContact O-N 3.28Å; H351-R353 PolarHBondContact O-N 3.24Å; H351-R353 VanDerWaalsContact O-N 3.08Å; R353-H355 VanDerWaalsContact C-N 3.31Å; R353-G357 WeakPolarHBondContact O-CA 3.37Å; R353-G357 PolarHBondContact O-N 3.41Å; R353-E358 HydrophobicContact CB-CB 4.48Å; R353-E358 HydrophobicContact CG-CB 4.34Å; R353-E358 PolarHBondContact O-N 3.12Å; R353-S371 PolarHBondContact NH1-O 3.4Å
354	T	91.9	Very high	92.8	Very high	94 Å²	94	75.6 Å²	75.6	58%	0.577	39%	0.393	S	S	*	.	H	α-helix	trans	-75	-25.1	175.7	67.2	0	0	0	0	112.4	H351 Q352	H351-T354 WeakPolarHBondContact O-CB 3.38Å; H351-T354 PolarHBondContact O-N 3.19Å; H351-T354 PolarHBondContact O-OG1 3.41Å; Q352-T354 PolarHBondContact O-N 2.89Å; Q352-T354 VanDerWaalsContact O-N 3.15Å
355	H	91.2	Very high	92.8	Very high	76 Å²	76	74.9 Å²	74.9	35%	0.352	41%	0.407	S	S	.	.	H	α-helix	trans	-87.1	-44.9	177.5	-56.8	-49.6	0	0	0	111.3	C335 E337 C338 H351 Q352 R353 G357	C335-H355 PolarHBondContact SG-NE2 3.43Å; E337-H355 WeakPolarHBondContact OE2-CB 3.34Å; E337-H355 IonicContact OE2-CD2 3.87Å; E337-H355 PolarHBondContact OE2-CD2 3.05Å; E337-H355 IonicContact OE2-CG 2.98Å; E337-H355 IonicContact OE2-NE2 3.56Å; C338-H355 PolarHBondContact SG-NE2 3.36Å; H351-H355 AromaticContact CD2-NE2 3.82Å; H351-H355 AromaticContact CE1-CE1 3.85Å; H351-H355 AromaticContact CE1-NE2 3.54Å; H351-H355 AromaticContact NE2-CD2 3.94Å; H351-H355 AromaticContact NE2-CE1 3.73Å; H351-H355 AromaticContact NE2-NE2 3.02Å; H351-H355 PolarHBondContact NE2-NE2 3.18Å; Q352-H355 PolarHBondContact O-N 3.03Å; R353-H355 VanDerWaalsContact C-N 3.31Å; H355-G357 VanDerWaalsContact C-N 3.25Å; H355-G357 PolarHBondContact O-N 3.32Å
356	T	90.4	Very high	92.7	Very high	79 Å²	79	72.7 Å²	72.7	49%	0.485	40%	0.4	S	S	.	.	H	α-helix	trans	-74	-18.4	177.8	63.8	0	0	0	0	113	Q352 E358	Q352-T356 PolarHBondContact O-N 3.44Å; Q352-T356 PolarHBondContact O-OG1 3.13Å; T356-E358 PolarHBondContact O-N 2.77Å; T356-E358 WeakPolarHBondContact OG1-CB 3.33Å; T356-E358 WeakPolarHBondContact OG1-CG 3.29Å; T356-E358 PolarHBondContact OG1-N 2.68Å
357	G	89.9	Confident	92.7	Very high	47 Å²	47	71.3 Å²	71.3	49%	0.485	40%	0.396	S	S	.	.			trans	71.3	7.3	-174	0	0	0	0	0	113.9	R353 H355 K359	R353-G357 WeakPolarHBondContact O-CA 3.37Å; R353-G357 PolarHBondContact O-N 3.41Å; H355-G357 VanDerWaalsContact C-N 3.25Å; H355-G357 PolarHBondContact O-N 3.32Å; G357-K359 PolarHBondContact O-N 3.1Å
358	E	92.4	Very high	92.7	Very high	109 Å²	109	73.8 Å²	73.8	51%	0.509	41%	0.406	S	S	.	.			trans	-58.7	126.8	-178.9	-79.4	-179.5	-174.3	0	0	112	R353 T356	R353-E358 HydrophobicContact CB-CB 4.48Å; R353-E358 HydrophobicContact CG-CB 4.34Å; R353-E358 PolarHBondContact O-N 3.12Å; T356-E358 PolarHBondContact O-N 2.77Å; T356-E358 WeakPolarHBondContact OG1-CB 3.33Å; T356-E358 WeakPolarHBondContact OG1-CG 3.29Å; T356-E358 PolarHBondContact OG1-N 2.68Å
359	K	93.4	Very high	92.7	Very high	126 Å²	126	74.8 Å²	74.8	55%	0.548	42%	0.415	S	S	.	.			trans	-127.3	78.2	177.3	-72	168.4	176.1	-175.3	0	109.8	G357 Y361 S369 F370	G357-K359 PolarHBondContact O-N 3.1Å; K359-Y361 PolarHBondContact O-N 2.84Å; K359-Y361 VanDerWaalsContact O-N 3.09Å; K359-S369 WeakPolarHBondContact CD-O 3.36Å; K359-S369 WeakPolarHBondContact O-CB 3.43Å; K359-F370 CarbonylContact C-O 3.27Å; K359-F370 VanDerWaalsContact C-O 3.27Å; K359-F370 WeakPolarHBondContact CA-O 3.49Å
360	P	93.3	Very high	92.7	Very high	72 Å²	72	73.7 Å²	73.7	47%	0.468	40%	0.404	S	S	.	.			trans	-67.3	-13.2	-170.9	-22.1	34.6	0	0	0	114.9
361	Y	95.4	Very high	92.7	Very high	77 Å²	77	72.6 Å²	72.6	30%	0.302	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	94.3	-172.8	-55	-74.5	0	0	0	110.2	K359 S369 F370 S373	K359-Y361 PolarHBondContact O-N 2.84Å; K359-Y361 VanDerWaalsContact O-N 3.09Å; Y361-S369 CarbonylContact O-C 3.52Å; Y361-S369 WeakPolarHBondContact O-CA 3.45Å; Y361-F370 WeakPolarHBondContact CB-O 3.31Å; Y361-F370 WeakPolarHBondContact CD2-O 3.41Å; Y361-F370 PolarHBondContact N-O 3.16Å; Y361-F370 VanDerWaalsContact N-O 3.13Å; Y361-F370 PolarHBondContact O-N 3.48Å; Y361-S373 VanDerWaalsContact CD2-N 3.25Å; Y361-S373 VanDerWaalsContact CE2-N 3.3Å
362	E	95.1	Very high	92.7	Very high	112 Å²	112	75.6 Å²	75.6	52%	0.523	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	140.4	179.8	-173.5	171.9	168.2	0	0	112.6
363	C	94.7	Very high	92.7	Very high	2 Å²	2	74.9 Å²	74.9	1%	0.014	42%	0.416	C	S	.	.			trans	-88.7	109	171.1	-174.7	0	0	0	0	110.7	A365 C366 G367 K368 F370 L376 H383	C363-A365 PolarHBondContact O-N 3.5Å; C363-C366 PolarHBondContact O-N 3.17Å; C363-G367 WeakPolarHBondContact O-CA 3.44Å; C363-G367 PolarHBondContact O-N 3.36Å; C363-K368 VanDerWaalsContact CB-O 3.28Å; C363-K368 WeakPolarHBondContact CB-O 3.47Å; C363-K368 PolarHBondContact N-O 2.95Å; C363-F370 HydrophobicContact CB-CE2 4.43Å; C363-L376 HydrophobicContact CB-CD1 3.56Å; C363-H383 VanDerWaalsContact SG-CD2 3.6Å; C363-H383 PolarHBondContact SG-NE2 3.34Å; C363-H383 VanDerWaalsContact SG-NE2 3.36Å
364	N	92.4	Very high	92.6	Very high	154 Å²	154	75.2 Å²	75.2	82%	0.824	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23	179.5	-61.4	-18	0	0	0	114.3
365	A	90.8	Very high	92.6	Very high	76 Å²	76	74.4 Å²	74.4	63%	0.628	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-25.5	-178.9	0	0	0	0	0	113.9	C363	C363-A365 PolarHBondContact O-N 3.5Å
366	C	92.8	Very high	92.7	Very high	54 Å²	54	71.8 Å²	71.8	37%	0.365	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142	5	-174.5	71.2	0	0	0	0	114.8	C363 K368 H379 H383	C363-C366 PolarHBondContact O-N 3.17Å; C366-K368 PolarHBondContact O-N 3.05Å; C366-K368 VanDerWaalsContact O-N 3.12Å; C366-K368 VanDerWaalsContact SG-CB 3.6Å; C366-H379 PolarHBondContact SG-NE2 3.43Å; C366-H383 PolarHBondContact SG-NE2 3.04Å
367	G	90.9	Very high	92.7	Very high	42 Å²	42	72.7 Å²	72.7	43%	0.433	41%	0.406	S	S	.	.			trans	66.9	5.7	-178.6	0	0	0	0	0	114.8	C363 S369	C363-G367 WeakPolarHBondContact O-CA 3.44Å; C363-G367 PolarHBondContact O-N 3.36Å; G367-S369 PolarHBondContact O-N 3.02Å
368	K	93.1	Very high	92.7	Very high	127 Å²	127	72.5 Å²	72.5	55%	0.552	40%	0.395	S	S	*	.			trans	-75.6	124	179.5	-72.7	-178.3	179.4	175.2	0	110.5	C363 C366 F370	C363-K368 VanDerWaalsContact CB-O 3.28Å; C363-K368 WeakPolarHBondContact CB-O 3.47Å; C363-K368 PolarHBondContact N-O 2.95Å; C366-K368 PolarHBondContact O-N 3.05Å; C366-K368 VanDerWaalsContact O-N 3.12Å; C366-K368 VanDerWaalsContact SG-CB 3.6Å; K368-F370 HydrophobicContact CB-CE2 4.02Å; K368-F370 HydrophobicContact CB-CZ 4.13Å; K368-F370 VanDerWaalsContact O-CE2 3.28Å; K368-F370 WeakPolarHBondContact O-CE2 3.5Å
369	S	94.5	Very high	92.6	Very high	39 Å²	39	68.2 Å²	68.2	27%	0.273	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	146.9	178.2	-45.7	0	0	0	0	113	K359 Y361 G367	K359-S369 WeakPolarHBondContact CD-O 3.36Å; K359-S369 WeakPolarHBondContact O-CB 3.43Å; Y361-S369 CarbonylContact O-C 3.52Å; Y361-S369 WeakPolarHBondContact O-CA 3.45Å; G367-S369 PolarHBondContact O-N 3.02Å
370	F	93.5	Very high	92.5	Very high	42 Å²	42	66 Å²	66	18%	0.184	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.7	-177.1	-58.3	-89.5	0	0	0	110.9	K359 Y361 C363 K368 R372 H375 L376 H379	K359-F370 CarbonylContact C-O 3.27Å; K359-F370 VanDerWaalsContact C-O 3.27Å; K359-F370 WeakPolarHBondContact CA-O 3.49Å; Y361-F370 WeakPolarHBondContact CB-O 3.31Å; Y361-F370 WeakPolarHBondContact CD2-O 3.41Å; Y361-F370 PolarHBondContact N-O 3.16Å; Y361-F370 VanDerWaalsContact N-O 3.13Å; Y361-F370 PolarHBondContact O-N 3.48Å; C363-F370 HydrophobicContact CB-CE2 4.43Å; K368-F370 HydrophobicContact CB-CE2 4.02Å; K368-F370 HydrophobicContact CB-CZ 4.13Å; K368-F370 VanDerWaalsContact O-CE2 3.28Å; K368-F370 WeakPolarHBondContact O-CE2 3.5Å; F370-R372 VanDerWaalsContact C-N 3.3Å; F370-H375 HydrophobicContact CB-CB 4.16Å; F370-H375 HydrophobicContact CD1-CB 3.82Å; F370-H375 HydrophobicContact CG-CB 4.18Å; F370-L376 HydrophobicContact CB-CB 4.47Å; F370-L376 HydrophobicContact CD2-CB 3.94Å; F370-L376 HydrophobicContact CD2-CD1 3.92Å; F370-L376 HydrophobicContact CE2-CD1 4.08Å; F370-L376 HydrophobicContact CG-CB 4.43Å; F370-H379 HydrophobicContact CE1-CB 4.08Å; F370-H379 HydrophobicContact CE2-CB 3.77Å; F370-H379 AromaticContact CE2-CD2 3.5Å; F370-H379 AromaticContact CE2-CG 3.6Å; F370-H379 HydrophobicContact CZ-CB 3.42Å; F370-H379 VanDerWaalsContact CZ-CB 3.42Å; F370-H379 AromaticContact CZ-CD2 3.58Å; F370-H379 AromaticContact CZ-CG 3.24Å; F370-H379 AromaticContact CZ-ND1 3.71Å
371	S	92.6	Very high	92.3	Very high	36 Å²	36	64.5 Å²	64.5	25%	0.252	35%	0.353	S	S	.	.	S	Bend	trans	-80	-12.6	176.4	58.3	0	0	0	0	113.4	R353	R353-S371 PolarHBondContact NH1-O 3.4Å
372	R	92.9	Very high	91.9	Very high	98 Å²	98	66.7 Å²	66.7	37%	0.37	37%	0.369	S	S	.	.	S	Bend	trans	-132	136.3	-179.9	-59.8	-175.4	178	171.9	-9.5	110.8	Q350 F370 S374 H375 L376	Q350-R372 VanDerWaalsContact OE1-CZ 3.31Å; F370-R372 VanDerWaalsContact C-N 3.3Å; R372-S374 VanDerWaalsContact C-N 3.3Å; R372-S374 PolarHBondContact O-N 3.2Å; R372-H375 HydrophobicContact CB-CB 4.46Å; R372-H375 PolarHBondContact O-N 3.41Å; R372-L376 PolarHBondContact O-N 3.35Å
373	S	93.2	Very high	91.5	Very high	56 Å²	56	65.5 Å²	65.5	39%	0.392	36%	0.363	S	S	.	.	H	α-helix	trans	-62	-37.1	177.2	56.9	0	0	0	0	112.5	Y361 H375 L376 I377	Y361-S373 VanDerWaalsContact CD2-N 3.25Å; Y361-S373 VanDerWaalsContact CE2-N 3.3Å; S373-H375 PolarHBondContact O-N 3.36Å; S373-L376 WeakPolarHBondContact O-CB 3.36Å; S373-L376 PolarHBondContact O-N 3.08Å; S373-L376 VanDerWaalsContact O-N 3.09Å; S373-I377 WeakPolarHBondContact O-CG1 3.36Å; S373-I377 PolarHBondContact O-N 2.89Å
374	S	90.8	Very high	91.1	Very high	62 Å²	62	69.4 Å²	69.4	43%	0.434	39%	0.387	S	S	.	.	H	α-helix	trans	-60.2	-35.4	177.2	60.4	0	0	0	0	112.5	R372 I377 T378	R372-S374 VanDerWaalsContact C-N 3.3Å; R372-S374 PolarHBondContact O-N 3.2Å; S374-I377 PolarHBondContact O-N 2.97Å; S374-T378 WeakPolarHBondContact O-CG2 3.4Å; S374-T378 PolarHBondContact O-N 2.74Å; S374-T378 PolarHBondContact O-OG1 2.82Å
375	H	91.8	Very high	90.7	Very high	76 Å²	76	64.4 Å²	64.4	35%	0.352	37%	0.372	S	S	.	.	H	α-helix	trans	-73	-33.5	176.4	-63.1	174.8	0	0	0	111.8	F370 R372 S373 T378 H379	F370-H375 HydrophobicContact CB-CB 4.16Å; F370-H375 HydrophobicContact CD1-CB 3.82Å; F370-H375 HydrophobicContact CG-CB 4.18Å; R372-H375 HydrophobicContact CB-CB 4.46Å; R372-H375 PolarHBondContact O-N 3.41Å; S373-H375 PolarHBondContact O-N 3.36Å; H375-T378 PolarHBondContact O-OG1 3.21Å; H375-H379 WeakPolarHBondContact O-CB 3.3Å; H375-H379 PolarHBondContact O-N 2.88Å
376	L	93.8	Very high	90.4	Very high	22 Å²	22	66.3 Å²	66.3	12%	0.115	37%	0.367	C	S	.	.	H	α-helix	trans	-64	-46.4	171.3	173	62.5	0	0	0	110.7	C363 F370 R372 S373 T378 H379 Q380	C363-L376 HydrophobicContact CB-CD1 3.56Å; F370-L376 HydrophobicContact CB-CB 4.47Å; F370-L376 HydrophobicContact CD2-CB 3.94Å; F370-L376 HydrophobicContact CD2-CD1 3.92Å; F370-L376 HydrophobicContact CE2-CD1 4.08Å; F370-L376 HydrophobicContact CG-CB 4.43Å; R372-L376 PolarHBondContact O-N 3.35Å; S373-L376 WeakPolarHBondContact O-CB 3.36Å; S373-L376 PolarHBondContact O-N 3.08Å; S373-L376 VanDerWaalsContact O-N 3.09Å; L376-T378 PolarHBondContact O-N 3.35Å; L376-H379 WeakPolarHBondContact O-CB 3.4Å; L376-H379 PolarHBondContact O-N 2.8Å; L376-Q380 HydrophobicContact CD1-CG 4.13Å; L376-Q380 HydrophobicContact CG-CG 4.45Å; L376-Q380 WeakPolarHBondContact O-CG 3.41Å; L376-Q380 PolarHBondContact O-N 2.73Å
377	I	90.6	Very high	90.2	Very high	97 Å²	97	69.9 Å²	69.9	50%	0.497	38%	0.377	S	S	.	.	H	α-helix	trans	-61.4	-44.8	178.9	-65.7	167.2	0	0	0	111	S373 S374 H379 Q380	S373-I377 WeakPolarHBondContact O-CG1 3.36Å; S373-I377 PolarHBondContact O-N 2.89Å; S374-I377 PolarHBondContact O-N 2.97Å; I377-H379 VanDerWaalsContact C-N 3.33Å; I377-Q380 PolarHBondContact O-N 2.8Å
378	T	89.7	Confident	90.1	Very high	43 Å²	43	71.7 Å²	71.7	26%	0.264	38%	0.381	S	S	.	.	H	α-helix	trans	-67	-36.3	176.2	58.1	0	0	0	0	112	S374 H375 L376 K381 E400	S374-T378 WeakPolarHBondContact O-CG2 3.4Å; S374-T378 PolarHBondContact O-N 2.74Å; S374-T378 PolarHBondContact O-OG1 2.82Å; H375-T378 PolarHBondContact O-OG1 3.21Å; L376-T378 PolarHBondContact O-N 3.35Å; T378-K381 WeakPolarHBondContact O-CB 3.43Å; T378-K381 PolarHBondContact O-N 3.27Å; T378-E400 WeakPolarHBondContact CB-OE1 3.34Å; T378-E400 HydrophobicContact CG2-CG 4.4Å
379	H	90.4	Very high	90	Very high	19 Å²	19	69.4 Å²	69.4	9%	0.088	37%	0.369	C	S	.	.	H	α-helix	trans	-63.7	-41	174.4	174.9	66.9	0	0	0	112.8	C366 F370 H375 L376 I377 K381 I382 H383	C366-H379 PolarHBondContact SG-NE2 3.43Å; F370-H379 HydrophobicContact CE1-CB 4.08Å; F370-H379 HydrophobicContact CE2-CB 3.77Å; F370-H379 AromaticContact CE2-CD2 3.5Å; F370-H379 AromaticContact CE2-CG 3.6Å; F370-H379 HydrophobicContact CZ-CB 3.42Å; F370-H379 VanDerWaalsContact CZ-CB 3.42Å; F370-H379 AromaticContact CZ-CD2 3.58Å; F370-H379 AromaticContact CZ-CG 3.24Å; F370-H379 AromaticContact CZ-ND1 3.71Å; H375-H379 WeakPolarHBondContact O-CB 3.3Å; H375-H379 PolarHBondContact O-N 2.88Å; L376-H379 WeakPolarHBondContact O-CB 3.4Å; L376-H379 PolarHBondContact O-N 2.8Å; I377-H379 VanDerWaalsContact C-N 3.33Å; H379-K381 PolarHBondContact O-N 3.33Å; H379-K381 VanDerWaalsContact O-N 3.16Å; H379-I382 VanDerWaalsContact O-CB 3.26Å; H379-I382 WeakPolarHBondContact O-CB 3.32Å; H379-I382 WeakPolarHBondContact O-CG1 3.37Å; H379-I382 PolarHBondContact O-N 3.12Å; H379-H383 AromaticContact CD2-NE2 3.77Å; H379-H383 AromaticContact CE1-NE2 3.74Å; H379-H383 AromaticContact NE2-CD2 3.95Å; H379-H383 AromaticContact NE2-CE1 3.86Å; H379-H383 AromaticContact NE2-NE2 3.05Å; H379-H383 PolarHBondContact NE2-NE2 3.48Å
380	Q	89.6	Confident	89.9	Confident	81 Å²	81	71.8 Å²	71.8	38%	0.379	38%	0.376	S	S	.	.	H	α-helix	trans	-58.1	-29.5	179.4	-78.9	172.2	-36.4	0	0	112.7	L376 I377 I382 H383 T384	L376-Q380 HydrophobicContact CD1-CG 4.13Å; L376-Q380 HydrophobicContact CG-CG 4.45Å; L376-Q380 WeakPolarHBondContact O-CG 3.41Å; L376-Q380 PolarHBondContact O-N 2.73Å; I377-Q380 PolarHBondContact O-N 2.8Å; Q380-I382 PolarHBondContact O-N 3.04Å; Q380-H383 WeakPolarHBondContact O-CB 3.24Å; Q380-H383 PolarHBondContact O-N 3.27Å; Q380-T384 PolarHBondContact O-N 2.63Å
381	K	89.1	Confident	89.9	Confident	39 Å²	39	69.9 Å²	69.9	17%	0.17	37%	0.368	C	S	.	.	H	α-helix	trans	-61.4	-23.1	174.7	-61.7	177.9	177.8	-179.3	0	113.9	T378 H379 H383 T384 G385 E386 G399	T378-K381 WeakPolarHBondContact O-CB 3.43Å; T378-K381 PolarHBondContact O-N 3.27Å; H379-K381 PolarHBondContact O-N 3.33Å; H379-K381 VanDerWaalsContact O-N 3.16Å; K381-H383 VanDerWaalsContact C-N 3.3Å; K381-T384 WeakPolarHBondContact CA-OG1 3.31Å; K381-T384 PolarHBondContact O-OG1 3.34Å; K381-G385 WeakPolarHBondContact O-CA 3.46Å; K381-G385 PolarHBondContact O-N 3.07Å; K381-E386 PolarHBondContact O-N 2.96Å; K381-G399 WeakPolarHBondContact CD-O 3.47Å; K381-G399 PolarHBondContact NZ-O 3.01Å
382	I	86.9	Confident	89.9	Confident	124 Å²	124	73.9 Å²	73.9	64%	0.636	39%	0.387	S	S	*	.	H	α-helix	trans	-68.6	-35.2	175.5	-57.9	173.8	0	0	0	110.2	H379 Q380	H379-I382 VanDerWaalsContact O-CB 3.26Å; H379-I382 WeakPolarHBondContact O-CB 3.32Å; H379-I382 WeakPolarHBondContact O-CG1 3.37Å; H379-I382 PolarHBondContact O-N 3.12Å; Q380-I382 PolarHBondContact O-N 3.04Å
383	H	87.6	Confident	89.7	Confident	86 Å²	86	75 Å²	75	40%	0.398	40%	0.396	S	S	.	.	H	α-helix	trans	-78	-38.4	178.8	-59	-55.4	0	0	0	112.1	C363 C366 H379 Q380 K381 G385	C363-H383 VanDerWaalsContact SG-CD2 3.6Å; C363-H383 PolarHBondContact SG-NE2 3.34Å; C363-H383 VanDerWaalsContact SG-NE2 3.36Å; C366-H383 PolarHBondContact SG-NE2 3.04Å; H379-H383 AromaticContact CD2-NE2 3.77Å; H379-H383 AromaticContact CE1-NE2 3.74Å; H379-H383 AromaticContact NE2-CD2 3.95Å; H379-H383 AromaticContact NE2-CE1 3.86Å; H379-H383 AromaticContact NE2-NE2 3.05Å; H379-H383 PolarHBondContact NE2-NE2 3.48Å; Q380-H383 WeakPolarHBondContact O-CB 3.24Å; Q380-H383 PolarHBondContact O-N 3.27Å; K381-H383 VanDerWaalsContact C-N 3.3Å; H383-G385 VanDerWaalsContact C-N 3.32Å
384	T	86.1	Confident	89.7	Confident	85 Å²	85	74.6 Å²	74.6	52%	0.521	39%	0.393	S	S	.	.	H	α-helix	trans	-79.1	-18	178.2	62.9	0	0	0	0	112.8	Q380 K381 E386	Q380-T384 PolarHBondContact O-N 2.63Å; K381-T384 WeakPolarHBondContact CA-OG1 3.31Å; K381-T384 PolarHBondContact O-OG1 3.34Å; T384-E386 PolarHBondContact O-N 2.83Å; T384-E386 WeakPolarHBondContact OG1-CB 3.42Å; T384-E386 WeakPolarHBondContact OG1-CG 3.34Å; T384-E386 PolarHBondContact OG1-N 3.02Å
385	G	83.9	Confident	89.6	Confident	49 Å²	49	80 Å²	80	51%	0.505	40%	0.403	S	S	.	.			trans	69.7	5.6	-173.2	0	0	0	0	0	113.8	K381 H383 K387	K381-G385 WeakPolarHBondContact O-CA 3.46Å; K381-G385 PolarHBondContact O-N 3.07Å; H383-G385 VanDerWaalsContact C-N 3.32Å; G385-K387 PolarHBondContact O-N 3.12Å
386	E	85.8	Confident	89.5	Confident	115 Å²	115	84.4 Å²	84.4	54%	0.537	42%	0.417	S	S	.	.			trans	-62.3	122.9	-179.4	-75.6	179.9	-178.8	0	0	111	K381 T384	K381-E386 PolarHBondContact O-N 2.96Å; T384-E386 PolarHBondContact O-N 2.83Å; T384-E386 WeakPolarHBondContact OG1-CB 3.42Å; T384-E386 WeakPolarHBondContact OG1-CG 3.34Å; T384-E386 PolarHBondContact OG1-N 3.02Å
387	K	88.2	Confident	89.3	Confident	130 Å²	130	85.6 Å²	85.6	57%	0.565	43%	0.427	S	S	*	.			trans	-125.5	76.4	176.3	-71	171.5	171.5	-172.8	0	109.9	G385 Y389 S397 F398	G385-K387 PolarHBondContact O-N 3.12Å; K387-Y389 PolarHBondContact O-N 3.34Å; K387-Y389 VanDerWaalsContact O-N 3.13Å; K387-S397 VanDerWaalsContact CB-CB 3.44Å; K387-S397 WeakPolarHBondContact CD-O 3.36Å; K387-S397 WeakPolarHBondContact O-CB 3.27Å; K387-F398 CarbonylContact C-O 3.57Å; K387-F398 VanDerWaalsContact C-O 3.29Å; K387-F398 VanDerWaalsContact CA-O 3.3Å; K387-F398 WeakPolarHBondContact CA-O 3.25Å
388	P	88.4	Confident	89.2	Confident	79 Å²	79	82.9 Å²	82.9	51%	0.513	41%	0.412	S	S	.	.			trans	-68.5	-14.3	-171.4	-19.5	33.2	0	0	0	114.2
389	Y	91.3	Very high	89.1	Confident	80 Å²	80	81.9 Å²	81.9	31%	0.314	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	99.5	-172.1	-57	-71.5	0	0	0	110.4	K387 S397 F398 G399 R401	K387-Y389 PolarHBondContact O-N 3.34Å; K387-Y389 VanDerWaalsContact O-N 3.13Å; Y389-S397 CarbonylContact O-C 3.53Å; Y389-S397 WeakPolarHBondContact O-CA 3.33Å; Y389-F398 PolarHBondContact N-O 3Å; Y389-F398 PolarHBondContact O-N 3.42Å; Y389-G399 WeakPolarHBondContact CE2-O 3.5Å; Y389-R401 HydrophobicContact CD1-CB 3.94Å; Y389-R401 HydrophobicContact CD1-CG 4.39Å; Y389-R401 HydrophobicContact CD2-CB 4.43Å; Y389-R401 VanDerWaalsContact CD2-N 3.28Å; Y389-R401 HydrophobicContact CE1-CB 3.76Å; Y389-R401 HydrophobicContact CE1-CG 4.36Å; Y389-R401 HydrophobicContact CE2-CB 4.23Å; Y389-R401 VanDerWaalsContact CE2-N 3.33Å; Y389-R401 HydrophobicContact CG-CB 4.27Å
390	E	92.3	Very high	89	Confident	89 Å²	89	84.5 Å²	84.5	42%	0.416	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	140.8	-179	-172.2	166.4	-166.7	0	0	112.4	W395	E390-W395 HydrophobicContact CG-CE3 4.42Å; E390-W395 VanDerWaalsContact OE1-CE3 3.31Å
391	C	93.6	Very high	89	Confident	1 Å²	1	88.8 Å²	88.8	1%	0.007	44%	0.435	C	S	.	.			trans	-86.1	117.6	171.3	-179.7	0	0	0	0	110	E393 W395 R396 F398 L404 H411	C391-E393 PolarHBondContact O-N 3.26Å; C391-E393 VanDerWaalsContact O-N 3.15Å; C391-W395 WeakPolarHBondContact O-CA 3.47Å; C391-W395 PolarHBondContact O-N 3.09Å; C391-R396 WeakPolarHBondContact CB-O 3.18Å; C391-R396 PolarHBondContact N-O 2.97Å; C391-F398 HydrophobicContact CB-CE2 4.43Å; C391-L404 HydrophobicContact CB-CD1 3.63Å; C391-H411 PolarHBondContact SG-NE2 3.01Å; C391-H411 VanDerWaalsContact SG-NE2 3.44Å
392	N	91	Very high	89.1	Confident	121 Å²	121	89.1 Å²	89.1	65%	0.647	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.4	-178.9	-62.7	-14.7	0	0	0	114.3
393	E	90.4	Very high	89.3	Confident	122 Å²	122	86 Å²	86	57%	0.57	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-35.6	-176.9	-66.3	178.4	-164.3	0	0	113	C391 H411	C391-E393 PolarHBondContact O-N 3.26Å; C391-E393 VanDerWaalsContact O-N 3.15Å; E393-H411 WeakPolarHBondContact OE2-CB 3.49Å; E393-H411 IonicContact OE2-CD2 3.96Å; E393-H411 PolarHBondContact OE2-CD2 2.89Å; E393-H411 IonicContact OE2-CG 2.92Å; E393-H411 IonicContact OE2-ND1 3.01Å
394	C	92.6	Very high	89.5	Confident	47 Å²	47	82.7 Å²	82.7	32%	0.318	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	9.9	-178.5	78.1	0	0	0	0	113.9	R396 H407	C394-R396 PolarHBondContact O-N 3.35Å; C394-H407 PolarHBondContact SG-NE2 3.48Å
395	W	88.6	Confident	89.8	Confident	174 Å²	174	81.9 Å²	81.9	66%	0.659	40%	0.404	S	S	*	.			trans	54.1	23.1	176.4	-49.3	99.5	0	0	0	114.4	E390 C391	E390-W395 HydrophobicContact CG-CE3 4.42Å; E390-W395 VanDerWaalsContact OE1-CE3 3.31Å; C391-W395 WeakPolarHBondContact O-CA 3.47Å; C391-W395 PolarHBondContact O-N 3.09Å
396	R	89.5	Confident	90.2	Very high	170 Å²	170	83.5 Å²	83.5	64%	0.642	40%	0.397	S	S	*	.			trans	-81.8	129.5	175	-81.4	-173.1	163.7	-153.5	-2.9	109.7	C391 C394 F398	C391-R396 WeakPolarHBondContact CB-O 3.18Å; C391-R396 PolarHBondContact N-O 2.97Å; C394-R396 PolarHBondContact O-N 3.35Å; R396-F398 HydrophobicContact CB-CE2 3.89Å; R396-F398 HydrophobicContact CB-CZ 4.12Å; R396-F398 WeakPolarHBondContact O-CD2 3.4Å; R396-F398 VanDerWaalsContact O-CE2 3.29Å; R396-F398 WeakPolarHBondContact O-CE2 3.36Å
397	S	89.9	Confident	90.5	Very high	46 Å²	46	79.3 Å²	79.3	32%	0.322	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	144.4	178.4	-33.8	0	0	0	0	112.1	K387 Y389	K387-S397 VanDerWaalsContact CB-CB 3.44Å; K387-S397 WeakPolarHBondContact CD-O 3.36Å; K387-S397 WeakPolarHBondContact O-CB 3.27Å; Y389-S397 CarbonylContact O-C 3.53Å; Y389-S397 WeakPolarHBondContact O-CA 3.33Å
398	F	89.1	Confident	90.6	Very high	40 Å²	40	76.6 Å²	76.6	18%	0.175	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.2	-178.1	-60.2	-92.5	0	0	0	110.6	K387 Y389 C391 R396 D403 L404 H407	K387-F398 CarbonylContact C-O 3.57Å; K387-F398 VanDerWaalsContact C-O 3.29Å; K387-F398 VanDerWaalsContact CA-O 3.3Å; K387-F398 WeakPolarHBondContact CA-O 3.25Å; Y389-F398 PolarHBondContact N-O 3Å; Y389-F398 PolarHBondContact O-N 3.42Å; C391-F398 HydrophobicContact CB-CE2 4.43Å; R396-F398 HydrophobicContact CB-CE2 3.89Å; R396-F398 HydrophobicContact CB-CZ 4.12Å; R396-F398 WeakPolarHBondContact O-CD2 3.4Å; R396-F398 VanDerWaalsContact O-CE2 3.29Å; R396-F398 WeakPolarHBondContact O-CE2 3.36Å; F398-D403 HydrophobicContact CB-CB 4.32Å; F398-D403 HydrophobicContact CD1-CB 3.92Å; F398-D403 HydrophobicContact CG-CB 4.4Å; F398-L404 HydrophobicContact CB-CB 4.38Å; F398-L404 HydrophobicContact CD2-CB 4.03Å; F398-L404 HydrophobicContact CD2-CD1 3.87Å; F398-L404 HydrophobicContact CE2-CD1 4.05Å; F398-L404 HydrophobicContact CG-CB 4.35Å; F398-H407 HydrophobicContact CE1-CB 3.92Å; F398-H407 HydrophobicContact CE2-CB 3.94Å; F398-H407 AromaticContact CE2-CD2 3.34Å; F398-H407 WeakPolarHBondContact CE2-CD2 3.39Å; F398-H407 AromaticContact CE2-CG 3.73Å; F398-H407 HydrophobicContact CZ-CB 3.43Å; F398-H407 VanDerWaalsContact CZ-CB 3.43Å; F398-H407 AromaticContact CZ-CD2 3.34Å; F398-H407 WeakPolarHBondContact CZ-CD2 3.49Å; F398-H407 AromaticContact CZ-CG 3.25Å; F398-H407 AromaticContact CZ-ND1 3.93Å
399	G	86.5	Confident	90.8	Very high	23 Å²	23	75.1 Å²	75.1	24%	0.237	35%	0.351	C	S	.	.	S	Bend	trans	-75.8	-23.7	177.7	0	0	0	0	0	113.6	K381 Y389	K381-G399 WeakPolarHBondContact CD-O 3.47Å; K381-G399 PolarHBondContact NZ-O 3.01Å; Y389-G399 WeakPolarHBondContact CE2-O 3.5Å
400	E	88.7	Confident	90.7	Very high	73 Å²	73	75.7 Å²	75.7	34%	0.341	36%	0.363	S	S	.	.	S	Bend	trans	-127	143	179.2	-62.5	-169	-174.4	0	0	112.5	T378 S402 D403 L404	T378-E400 WeakPolarHBondContact CB-OE1 3.34Å; T378-E400 HydrophobicContact CG2-CG 4.4Å; E400-S402 WeakPolarHBondContact CB-OG 3.18Å; E400-S402 PolarHBondContact O-N 3.42Å; E400-S402 PolarHBondContact OE2-OG 3.22Å; E400-S402 VanDerWaalsContact OE2-OG 3.09Å; E400-D403 PolarHBondContact O-N 2.9Å; E400-L404 PolarHBondContact O-N 3.15Å
401	R	89.6	Confident	90.6	Very high	171 Å²	171	74.9 Å²	74.9	65%	0.645	36%	0.359	S	S	*	.	H	α-helix	trans	-62.2	-33.2	175.7	-175.2	174.4	177.3	157.5	1.2	112.4	Y389 D403 L404 I405	Y389-R401 HydrophobicContact CD1-CB 3.94Å; Y389-R401 HydrophobicContact CD1-CG 4.39Å; Y389-R401 HydrophobicContact CD2-CB 4.43Å; Y389-R401 VanDerWaalsContact CD2-N 3.28Å; Y389-R401 HydrophobicContact CE1-CB 3.76Å; Y389-R401 HydrophobicContact CE1-CG 4.36Å; Y389-R401 HydrophobicContact CE2-CB 4.23Å; Y389-R401 VanDerWaalsContact CE2-N 3.33Å; Y389-R401 HydrophobicContact CG-CB 4.27Å; R401-D403 VanDerWaalsContact C-N 3.27Å; R401-D403 PolarHBondContact O-N 3.38Å; R401-L404 PolarHBondContact O-N 3.45Å; R401-I405 HydrophobicContact CG-CD1 4.09Å; R401-I405 WeakPolarHBondContact O-CG1 3.49Å; R401-I405 PolarHBondContact O-N 3.11Å
402	S	90.3	Very high	90.4	Very high	46 Å²	46	78.4 Å²	78.4	32%	0.322	38%	0.381	S	S	.	.	H	α-helix	trans	-59.9	-39.7	177.9	58.9	0	0	0	0	111.3	E400 K406	E400-S402 WeakPolarHBondContact CB-OG 3.18Å; E400-S402 PolarHBondContact O-N 3.42Å; E400-S402 PolarHBondContact OE2-OG 3.22Å; E400-S402 VanDerWaalsContact OE2-OG 3.09Å; S402-K406 VanDerWaalsContact O-CG 3.28Å; S402-K406 WeakPolarHBondContact O-CG 3.43Å; S402-K406 PolarHBondContact O-N 2.86Å
403	D	91.1	Very high	90.3	Very high	58 Å²	58	74.9 Å²	74.9	31%	0.31	37%	0.373	S	S	.	.	H	α-helix	trans	-76	-37	-180	-65.1	-30.1	0	0	0	112	F398 E400 R401 I405 K406 H407	F398-D403 HydrophobicContact CB-CB 4.32Å; F398-D403 HydrophobicContact CD1-CB 3.92Å; F398-D403 HydrophobicContact CG-CB 4.4Å; E400-D403 PolarHBondContact O-N 2.9Å; R401-D403 VanDerWaalsContact C-N 3.27Å; R401-D403 PolarHBondContact O-N 3.38Å; D403-I405 PolarHBondContact O-N 3.04Å; D403-K406 PolarHBondContact O-N 3.41Å; D403-K406 IonicContact OD1-NZ 3.96Å; D403-K406 PolarHBondContact OD1-NZ 3.19Å; D403-H407 VanDerWaalsContact O-CB 3.3Å; D403-H407 WeakPolarHBondContact O-CB 3.29Å; D403-H407 PolarHBondContact O-N 3.49Å
404	L	93.3	Very high	90.2	Very high	18 Å²	18	74.5 Å²	74.5	9%	0.094	37%	0.371	C	S	.	.	H	α-helix	trans	-58.4	-47.2	170	174.3	61.8	0	0	0	111.2	C391 F398 E400 R401 K406 H407 Q408	C391-L404 HydrophobicContact CB-CD1 3.63Å; F398-L404 HydrophobicContact CB-CB 4.38Å; F398-L404 HydrophobicContact CD2-CB 4.03Å; F398-L404 HydrophobicContact CD2-CD1 3.87Å; F398-L404 HydrophobicContact CE2-CD1 4.05Å; F398-L404 HydrophobicContact CG-CB 4.35Å; E400-L404 PolarHBondContact O-N 3.15Å; R401-L404 PolarHBondContact O-N 3.45Å; L404-K406 PolarHBondContact O-N 2.74Å; L404-H407 CarbonylContact O-C 3.49Å; L404-H407 WeakPolarHBondContact O-CB 3.27Å; L404-H407 PolarHBondContact O-N 3.39Å; L404-H407 VanDerWaalsContact O-N 3.14Å; L404-Q408 HydrophobicContact CD1-CG 4.14Å; L404-Q408 HydrophobicContact CG-CG 4.44Å; L404-Q408 WeakPolarHBondContact O-CG 3.49Å; L404-Q408 PolarHBondContact O-N 2.75Å
405	I	91.2	Very high	90.2	Very high	68 Å²	68	77.8 Å²	77.8	35%	0.349	38%	0.38	S	S	.	.	H	α-helix	trans	-62.7	-43.2	178.7	-67.7	167.3	0	0	0	111.1	R401 D403 H407 Q408 R409	R401-I405 HydrophobicContact CG-CD1 4.09Å; R401-I405 WeakPolarHBondContact O-CG1 3.49Å; R401-I405 PolarHBondContact O-N 3.11Å; D403-I405 PolarHBondContact O-N 3.04Å; I405-H407 VanDerWaalsContact C-N 3.26Å; I405-H407 PolarHBondContact O-N 3.42Å; I405-Q408 PolarHBondContact O-N 2.84Å; I405-R409 PolarHBondContact O-N 3.27Å
406	K	91.9	Very high	90.3	Very high	83 Å²	83	73 Å²	73	36%	0.361	37%	0.372	S	S	.	.	H	α-helix	trans	-61.2	-38.3	175	-70.9	170.4	-152	156.2	0	111.4	S402 D403 L404	S402-K406 VanDerWaalsContact O-CG 3.28Å; S402-K406 WeakPolarHBondContact O-CG 3.43Å; S402-K406 PolarHBondContact O-N 2.86Å; D403-K406 PolarHBondContact O-N 3.41Å; D403-K406 IonicContact OD1-NZ 3.96Å; D403-K406 PolarHBondContact OD1-NZ 3.19Å; L404-K406 PolarHBondContact O-N 2.74Å
407	H	92.1	Very high	90.5	Very high	26 Å²	26	68.6 Å²	68.6	12%	0.12	36%	0.356	C	S	.	.	H	α-helix	trans	-70	-42.1	177.6	171.1	59.2	0	0	0	112.1	C394 F398 D403 L404 I405 R409 T410 H411	C394-H407 PolarHBondContact SG-NE2 3.48Å; F398-H407 HydrophobicContact CE1-CB 3.92Å; F398-H407 HydrophobicContact CE2-CB 3.94Å; F398-H407 AromaticContact CE2-CD2 3.34Å; F398-H407 WeakPolarHBondContact CE2-CD2 3.39Å; F398-H407 AromaticContact CE2-CG 3.73Å; F398-H407 HydrophobicContact CZ-CB 3.43Å; F398-H407 VanDerWaalsContact CZ-CB 3.43Å; F398-H407 AromaticContact CZ-CD2 3.34Å; F398-H407 WeakPolarHBondContact CZ-CD2 3.49Å; F398-H407 AromaticContact CZ-CG 3.25Å; F398-H407 AromaticContact CZ-ND1 3.93Å; D403-H407 VanDerWaalsContact O-CB 3.3Å; D403-H407 WeakPolarHBondContact O-CB 3.29Å; D403-H407 PolarHBondContact O-N 3.49Å; L404-H407 CarbonylContact O-C 3.49Å; L404-H407 WeakPolarHBondContact O-CB 3.27Å; L404-H407 PolarHBondContact O-N 3.39Å; L404-H407 VanDerWaalsContact O-N 3.14Å; I405-H407 VanDerWaalsContact C-N 3.26Å; I405-H407 PolarHBondContact O-N 3.42Å; H407-R409 PolarHBondContact O-N 2.94Å; H407-R409 VanDerWaalsContact O-N 3.1Å; H407-T410 PolarHBondContact ND1-OG1 3.03Å; H407-T410 WeakPolarHBondContact O-CB 3.47Å; H407-T410 PolarHBondContact O-N 3.32Å; H407-T410 PolarHBondContact O-OG1 3.25Å; H407-H411 AromaticContact CD2-NE2 4Å; H407-H411 AromaticContact CE1-CE1 3.81Å; H407-H411 AromaticContact CE1-NE2 3.49Å; H407-H411 PolarHBondContact CE1-NE2 3.3Å; H407-H411 AromaticContact NE2-CE1 3.88Å; H407-H411 AromaticContact NE2-NE2 3.16Å; H407-H411 PolarHBondContact NE2-NE2 3.35Å; H407-H411 VanDerWaalsContact NE2-NE2 3.16Å
408	Q	91.4	Very high	90.7	Very high	74 Å²	74	72.8 Å²	72.8	35%	0.346	37%	0.37	S	S	.	.	H	α-helix	trans	-55.9	-31.8	177.6	-76.4	174.2	-40.8	0	0	112.6	L404 I405 T410 H411 T412	L404-Q408 HydrophobicContact CD1-CG 4.14Å; L404-Q408 HydrophobicContact CG-CG 4.44Å; L404-Q408 WeakPolarHBondContact O-CG 3.49Å; L404-Q408 PolarHBondContact O-N 2.75Å; I405-Q408 PolarHBondContact O-N 2.84Å; Q408-T410 PolarHBondContact O-N 2.62Å; Q408-T410 VanDerWaalsContact O-N 3.17Å; Q408-H411 PolarHBondContact O-N 3.32Å; Q408-T412 PolarHBondContact O-N 3.43Å; Q408-T412 VanDerWaalsContact O-N 3.17Å
409	R	92.3	Very high	90.9	Very high	47 Å²	47	71 Å²	71	18%	0.177	36%	0.362	C	S	.	.	H	α-helix	trans	-61.8	-20.3	173.4	-63.6	176.5	-174.5	165.8	1.3	114.1	I405 H407 H411 G413 T427	I405-R409 PolarHBondContact O-N 3.27Å; H407-R409 PolarHBondContact O-N 2.94Å; H407-R409 VanDerWaalsContact O-N 3.1Å; R409-H411 VanDerWaalsContact C-N 3.29Å; R409-G413 WeakPolarHBondContact O-CA 3.36Å; R409-G413 PolarHBondContact O-N 3.19Å; R409-T427 WeakPolarHBondContact CD-O 3.46Å; R409-T427 PolarHBondContact NH1-O 3.16Å
410	T	90.2	Very high	91.2	Very high	92 Å²	92	76.9 Å²	76.9	56%	0.564	39%	0.393	S	S	*	.	H	α-helix	trans	-74.1	-24.7	175	68.2	0	0	0	0	112.3	H407 Q408	H407-T410 PolarHBondContact ND1-OG1 3.03Å; H407-T410 WeakPolarHBondContact O-CB 3.47Å; H407-T410 PolarHBondContact O-N 3.32Å; H407-T410 PolarHBondContact O-OG1 3.25Å; Q408-T410 PolarHBondContact O-N 2.62Å; Q408-T410 VanDerWaalsContact O-N 3.17Å
411	H	89.9	Confident	91.3	Very high	72 Å²	72	80.5 Å²	80.5	33%	0.333	41%	0.41	S	S	.	.	H	α-helix	trans	-87.7	-44.7	176.6	-55.9	-51	0	0	0	111.7	C391 E393 H407 Q408 R409 G413	C391-H411 PolarHBondContact SG-NE2 3.01Å; C391-H411 VanDerWaalsContact SG-NE2 3.44Å; E393-H411 WeakPolarHBondContact OE2-CB 3.49Å; E393-H411 IonicContact OE2-CD2 3.96Å; E393-H411 PolarHBondContact OE2-CD2 2.89Å; E393-H411 IonicContact OE2-CG 2.92Å; E393-H411 IonicContact OE2-ND1 3.01Å; H407-H411 AromaticContact CD2-NE2 4Å; H407-H411 AromaticContact CE1-CE1 3.81Å; H407-H411 AromaticContact CE1-NE2 3.49Å; H407-H411 PolarHBondContact CE1-NE2 3.3Å; H407-H411 AromaticContact NE2-CE1 3.88Å; H407-H411 AromaticContact NE2-NE2 3.16Å; H407-H411 PolarHBondContact NE2-NE2 3.35Å; H407-H411 VanDerWaalsContact NE2-NE2 3.16Å; Q408-H411 PolarHBondContact O-N 3.32Å; R409-H411 VanDerWaalsContact C-N 3.29Å; H411-G413 VanDerWaalsContact C-N 3.28Å; H411-G413 PolarHBondContact O-N 3.11Å
412	T	89.1	Confident	91.4	Very high	75 Å²	75	74.8 Å²	74.8	46%	0.46	40%	0.396	S	S	.	.	H	α-helix	trans	-74.7	-19.4	179.9	63.9	0	0	0	0	113.3	Q408 E414	Q408-T412 PolarHBondContact O-N 3.43Å; Q408-T412 VanDerWaalsContact O-N 3.17Å; T412-E414 PolarHBondContact O-N 3.5Å; T412-E414 WeakPolarHBondContact OG1-CB 3.38Å; T412-E414 WeakPolarHBondContact OG1-CG 3.38Å; T412-E414 PolarHBondContact OG1-N 3.25Å
413	G	87.7	Confident	91.4	Very high	47 Å²	47	75.2 Å²	75.2	49%	0.485	41%	0.407	S	S	.	.			trans	69.4	6.8	-173.9	0	0	0	0	0	114	R409 H411 K415	R409-G413 WeakPolarHBondContact O-CA 3.36Å; R409-G413 PolarHBondContact O-N 3.19Å; H411-G413 VanDerWaalsContact C-N 3.28Å; H411-G413 PolarHBondContact O-N 3.11Å; G413-K415 PolarHBondContact O-N 2.61Å
414	E	90.1	Very high	91.4	Very high	114 Å²	114	78.5 Å²	78.5	53%	0.533	42%	0.419	S	S	.	.			trans	-58.5	128.6	-179.9	-78.2	-177.3	176.1	0	0	111.4	T412 P416	T412-E414 PolarHBondContact O-N 3.5Å; T412-E414 WeakPolarHBondContact OG1-CB 3.38Å; T412-E414 WeakPolarHBondContact OG1-CG 3.38Å; T412-E414 PolarHBondContact OG1-N 3.25Å; E414-P416 WeakPolarHBondContact O-CD 3.33Å
415	K	91.4	Very high	91.4	Very high	117 Å²	117	78.6 Å²	78.6	51%	0.509	42%	0.424	S	S	.	.			trans	-122.5	74.8	178.7	-75.1	167.1	175.5	-177.1	0	110.5	G413 Y417 G425 F426 T427	G413-K415 PolarHBondContact O-N 2.61Å; K415-Y417 PolarHBondContact O-N 3.39Å; K415-G425 WeakPolarHBondContact CD-O 3.32Å; K415-F426 CarbonylContact C-O 3.56Å; K415-F426 VanDerWaalsContact C-O 3.31Å; K415-F426 VanDerWaalsContact CA-O 3.32Å; K415-F426 WeakPolarHBondContact CA-O 3.49Å; K415-T427 HydrophobicContact CG-CG2 4.05Å
416	P	92.1	Very high	91.5	Very high	74 Å²	74	77.3 Å²	77.3	48%	0.481	42%	0.416	S	S	.	.			trans	-66	-12.3	-172.5	-20.8	33.6	0	0	0	114.7	E414	E414-P416 WeakPolarHBondContact O-CD 3.33Å
417	Y	93.7	Very high	91.4	Very high	77 Å²	77	75.2 Å²	75.2	30%	0.302	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	99.5	-174.4	-54	-76	0	0	0	109.8	K415 G425 F426 S429	K415-Y417 PolarHBondContact O-N 3.39Å; Y417-G425 CarbonylContact O-C 3.57Å; Y417-G425 WeakPolarHBondContact O-CA 3.37Å; Y417-F426 WeakPolarHBondContact CD2-O 3.28Å; Y417-F426 PolarHBondContact N-O 3.34Å; Y417-F426 PolarHBondContact O-N 3.19Å; Y417-S429 VanDerWaalsContact CD2-N 3.35Å
418	E	92.9	Very high	91.4	Very high	134 Å²	134	77.2 Å²	77.2	63%	0.626	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	138.6	-178.8	-65.6	-176.1	169.5	0	0	112.1	V420	E418-V420 PolarHBondContact O-N 3.32Å
419	C	94.2	Very high	91.4	Very high	2 Å²	2	76.3 Å²	76.3	1%	0.014	42%	0.421	C	S	.	.			trans	-79.7	114.3	173.1	-175.9	0	0	0	0	110.1	Q421 C422 G423 K424 F426 L432 H439	C419-Q421 PolarHBondContact O-N 3.46Å; C419-C422 PolarHBondContact O-N 2.96Å; C419-G423 VanDerWaalsContact O-CA 3.28Å; C419-G423 WeakPolarHBondContact O-CA 3.21Å; C419-G423 PolarHBondContact O-N 2.95Å; C419-K424 PolarHBondContact N-O 3.44Å; C419-F426 HydrophobicContact CB-CE2 4.38Å; C419-L432 HydrophobicContact CB-CD1 3.61Å; C419-H439 PolarHBondContact SG-NE2 3.31Å
420	V	91.6	Very high	91.4	Very high	146 Å²	146	76.8 Å²	76.8	89%	0.885	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-31.1	179	-176	0	0	0	0	112.5	E418	E418-V420 PolarHBondContact O-N 3.32Å
421	Q	90.3	Very high	91.5	Very high	149 Å²	149	75.2 Å²	75.2	70%	0.696	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-27.5	-176.8	-68.6	-159.7	-25.2	0	0	114.6	C419	C419-Q421 PolarHBondContact O-N 3.46Å
422	C	92.7	Very high	91.6	Very high	52 Å²	52	72.8 Å²	72.8	35%	0.351	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.9	3.7	-174.6	73	0	0	0	0	114.7	C419 K424 H435	C419-C422 PolarHBondContact O-N 2.96Å; C422-K424 PolarHBondContact O-N 3.38Å; C422-K424 VanDerWaalsContact O-N 3.09Å; C422-H435 PolarHBondContact SG-NE2 3.36Å
423	G	89.5	Confident	91.7	Very high	54 Å²	54	73.4 Å²	73.4	56%	0.557	41%	0.409	S	S	*	.			trans	68.1	1.4	-179.3	0	0	0	0	0	115.4	C419 G425	C419-G423 VanDerWaalsContact O-CA 3.28Å; C419-G423 WeakPolarHBondContact O-CA 3.21Å; C419-G423 PolarHBondContact O-N 2.95Å; G423-G425 PolarHBondContact O-N 3.13Å
424	K	92.5	Very high	91.8	Very high	128 Å²	128	72.6 Å²	72.6	56%	0.557	40%	0.395	S	S	*	.			trans	-70.5	122	-178.3	-72.5	-178	179.2	177.6	0	111.2	C419 C422 F426	C419-K424 PolarHBondContact N-O 3.44Å; C422-K424 PolarHBondContact O-N 3.38Å; C422-K424 VanDerWaalsContact O-N 3.09Å; K424-F426 HydrophobicContact CB-CE2 3.92Å; K424-F426 HydrophobicContact CB-CZ 4.12Å; K424-F426 WeakPolarHBondContact O-CD2 3.25Å; K424-F426 WeakPolarHBondContact O-CE2 3.34Å
425	G	92.7	Very high	91.9	Very high	19 Å²	19	68.4 Å²	68.4	20%	0.196	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	143.2	173.6	0	0	0	0	0	113.8	K415 Y417 G423	K415-G425 WeakPolarHBondContact CD-O 3.32Å; Y417-G425 CarbonylContact O-C 3.57Å; Y417-G425 WeakPolarHBondContact O-CA 3.37Å; G423-G425 PolarHBondContact O-N 3.13Å
426	F	92.4	Very high	91.8	Very high	41 Å²	41	66.7 Å²	66.7	18%	0.18	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	147.1	178.2	-60.8	-89.7	0	0	0	111	K415 Y417 C419 K424 Q428 N431 L432 H435	K415-F426 CarbonylContact C-O 3.56Å; K415-F426 VanDerWaalsContact C-O 3.31Å; K415-F426 VanDerWaalsContact CA-O 3.32Å; K415-F426 WeakPolarHBondContact CA-O 3.49Å; Y417-F426 WeakPolarHBondContact CD2-O 3.28Å; Y417-F426 PolarHBondContact N-O 3.34Å; Y417-F426 PolarHBondContact O-N 3.19Å; C419-F426 HydrophobicContact CB-CE2 4.38Å; K424-F426 HydrophobicContact CB-CE2 3.92Å; K424-F426 HydrophobicContact CB-CZ 4.12Å; K424-F426 WeakPolarHBondContact O-CD2 3.25Å; K424-F426 WeakPolarHBondContact O-CE2 3.34Å; F426-Q428 VanDerWaalsContact C-N 3.32Å; F426-N431 HydrophobicContact CB-CB 4.26Å; F426-N431 HydrophobicContact CD1-CB 3.83Å; F426-N431 HydrophobicContact CG-CB 4.32Å; F426-L432 HydrophobicContact CB-CB 4.32Å; F426-L432 HydrophobicContact CD2-CB 3.88Å; F426-L432 HydrophobicContact CD2-CD1 3.78Å; F426-L432 HydrophobicContact CD2-CG 4.44Å; F426-L432 HydrophobicContact CE2-CD1 3.92Å; F426-L432 HydrophobicContact CG-CB 4.23Å; F426-H435 HydrophobicContact CE1-CB 3.93Å; F426-H435 HydrophobicContact CE2-CB 3.92Å; F426-H435 AromaticContact CE2-CD2 3.51Å; F426-H435 AromaticContact CE2-CG 3.75Å; F426-H435 HydrophobicContact CZ-CB 3.4Å; F426-H435 VanDerWaalsContact CZ-CB 3.4Å; F426-H435 AromaticContact CZ-CD2 3.45Å; F426-H435 VanDerWaalsContact CZ-CD2 3.45Å; F426-H435 WeakPolarHBondContact CZ-CD2 3.31Å; F426-H435 AromaticContact CZ-CG 3.24Å; F426-H435 AromaticContact CZ-ND1 3.85Å
427	T	91.2	Very high	91.8	Very high	39 Å²	39	65.1 Å²	65.1	24%	0.239	35%	0.353	C	S	.	.	S	Bend	trans	-77.4	-17.8	177.6	56.9	0	0	0	0	113.1	R409 K415	R409-T427 WeakPolarHBondContact CD-O 3.46Å; R409-T427 PolarHBondContact NH1-O 3.16Å; K415-T427 HydrophobicContact CG-CG2 4.05Å
428	Q	91.5	Very high	91.6	Very high	69 Å²	69	66.4 Å²	66.4	32%	0.322	37%	0.369	S	S	.	.	S	Bend	trans	-137.4	142.6	-177.9	-58.9	-177.8	14.4	0	0	110.9	F426 S430 N431 L432	F426-Q428 VanDerWaalsContact C-N 3.32Å; Q428-S430 PolarHBondContact O-N 3.04Å; Q428-N431 WeakPolarHBondContact O-CB 3.25Å; Q428-N431 PolarHBondContact O-N 3.05Å; Q428-L432 PolarHBondContact O-N 3.47Å
429	S	92.1	Very high	91.4	Very high	55 Å²	55	63.5 Å²	63.5	39%	0.385	36%	0.355	S	S	.	.	H	α-helix	trans	-65.3	-36.1	179.9	56.4	0	0	0	0	113.1	Y417 N431 L432 I433	Y417-S429 VanDerWaalsContact CD2-N 3.35Å; S429-N431 VanDerWaalsContact C-N 3.26Å; S429-N431 PolarHBondContact O-N 3.16Å; S429-L432 WeakPolarHBondContact O-CB 3.42Å; S429-L432 PolarHBondContact O-N 3.3Å; S429-L432 VanDerWaalsContact O-N 3.14Å; S429-I433 WeakPolarHBondContact O-CG1 3.48Å; S429-I433 PolarHBondContact O-N 2.96Å
430	S	90.9	Very high	91.2	Very high	57 Å²	57	67.3 Å²	67.3	40%	0.399	38%	0.378	S	S	.	.	H	α-helix	trans	-57.5	-40.8	175	52.2	0	0	0	0	111.8	Q428 I433 T434	Q428-S430 PolarHBondContact O-N 3.04Å; S430-I433 PolarHBondContact O-N 3.38Å; S430-T434 WeakPolarHBondContact O-CG2 3.34Å; S430-T434 PolarHBondContact O-N 3.11Å; S430-T434 PolarHBondContact O-OG1 2.82Å
431	N	92.1	Very high	91	Very high	59 Å²	59	62.8 Å²	62.8	32%	0.316	36%	0.361	S	S	.	.	H	α-helix	trans	-65.7	-42.5	176.9	-68.7	-22.1	0	0	0	111.1	F426 Q428 S429 T434 H435	F426-N431 HydrophobicContact CB-CB 4.26Å; F426-N431 HydrophobicContact CD1-CB 3.83Å; F426-N431 HydrophobicContact CG-CB 4.32Å; Q428-N431 WeakPolarHBondContact O-CB 3.25Å; Q428-N431 PolarHBondContact O-N 3.05Å; S429-N431 VanDerWaalsContact C-N 3.26Å; S429-N431 PolarHBondContact O-N 3.16Å; N431-T434 PolarHBondContact O-N 2.64Å; N431-T434 PolarHBondContact O-OG1 2.93Å; N431-H435 WeakPolarHBondContact O-CB 3.44Å; N431-H435 PolarHBondContact O-N 3.18Å
432	L	93.2	Very high	90.9	Very high	21 Å²	21	61 Å²	61	11%	0.11	35%	0.353	C	S	.	.	H	α-helix	trans	-60.1	-47.9	173.6	173.1	62.4	0	0	0	111.7	C419 F426 Q428 S429 T434 H435 Q436	C419-L432 HydrophobicContact CB-CD1 3.61Å; F426-L432 HydrophobicContact CB-CB 4.32Å; F426-L432 HydrophobicContact CD2-CB 3.88Å; F426-L432 HydrophobicContact CD2-CD1 3.78Å; F426-L432 HydrophobicContact CD2-CG 4.44Å; F426-L432 HydrophobicContact CE2-CD1 3.92Å; F426-L432 HydrophobicContact CG-CB 4.23Å; Q428-L432 PolarHBondContact O-N 3.47Å; S429-L432 WeakPolarHBondContact O-CB 3.42Å; S429-L432 PolarHBondContact O-N 3.3Å; S429-L432 VanDerWaalsContact O-N 3.14Å; L432-T434 VanDerWaalsContact C-N 3.35Å; L432-T434 PolarHBondContact O-N 2.86Å; L432-H435 CarbonylContact O-C 3.29Å; L432-H435 WeakPolarHBondContact O-CA 3.42Å; L432-H435 WeakPolarHBondContact O-CB 3.46Å; L432-H435 PolarHBondContact O-N 3.39Å; L432-Q436 HydrophobicContact CD1-CG 4.15Å; L432-Q436 HydrophobicContact CG-CG 4.47Å; L432-Q436 WeakPolarHBondContact O-CG 3.46Å; L432-Q436 PolarHBondContact O-N 2.87Å
433	I	90.6	Very high	90.7	Very high	88 Å²	88	64.8 Å²	64.8	45%	0.451	36%	0.363	S	S	.	.	H	α-helix	trans	-59.8	-45.8	178.5	-66.3	166.3	0	0	0	110.5	S429 S430 H435 Q436 R437	S429-I433 WeakPolarHBondContact O-CG1 3.48Å; S429-I433 PolarHBondContact O-N 2.96Å; S430-I433 PolarHBondContact O-N 3.38Å; I433-H435 PolarHBondContact O-N 3.43Å; I433-Q436 PolarHBondContact O-N 2.81Å; I433-R437 PolarHBondContact O-N 3.31Å
434	T	90.3	Very high	90.7	Very high	29 Å²	29	65.7 Å²	65.7	18%	0.178	36%	0.36	C	S	.	.	H	α-helix	trans	-65.2	-30.3	176.5	63.5	0	0	0	0	112.8	S430 N431 L432 R456	S430-T434 WeakPolarHBondContact O-CG2 3.34Å; S430-T434 PolarHBondContact O-N 3.11Å; S430-T434 PolarHBondContact O-OG1 2.82Å; N431-T434 PolarHBondContact O-N 2.64Å; N431-T434 PolarHBondContact O-OG1 2.93Å; L432-T434 VanDerWaalsContact C-N 3.35Å; L432-T434 PolarHBondContact O-N 2.86Å; T434-R456 PolarHBondContact OG1-NH2 3.45Å
435	H	91.6	Very high	90.6	Very high	26 Å²	26	63.1 Å²	63.1	12%	0.12	35%	0.347	C	S	.	.	H	α-helix	trans	-72.4	-39.7	175.4	173.6	64.8	0	0	0	112.1	C422 F426 N431 L432 I433 R437 V438 H439	C422-H435 PolarHBondContact SG-NE2 3.36Å; F426-H435 HydrophobicContact CE1-CB 3.93Å; F426-H435 HydrophobicContact CE2-CB 3.92Å; F426-H435 AromaticContact CE2-CD2 3.51Å; F426-H435 AromaticContact CE2-CG 3.75Å; F426-H435 HydrophobicContact CZ-CB 3.4Å; F426-H435 VanDerWaalsContact CZ-CB 3.4Å; F426-H435 AromaticContact CZ-CD2 3.45Å; F426-H435 VanDerWaalsContact CZ-CD2 3.45Å; F426-H435 WeakPolarHBondContact CZ-CD2 3.31Å; F426-H435 AromaticContact CZ-CG 3.24Å; F426-H435 AromaticContact CZ-ND1 3.85Å; N431-H435 WeakPolarHBondContact O-CB 3.44Å; N431-H435 PolarHBondContact O-N 3.18Å; L432-H435 CarbonylContact O-C 3.29Å; L432-H435 WeakPolarHBondContact O-CA 3.42Å; L432-H435 WeakPolarHBondContact O-CB 3.46Å; L432-H435 PolarHBondContact O-N 3.39Å; I433-H435 PolarHBondContact O-N 3.43Å; H435-R437 PolarHBondContact O-N 3.21Å; H435-R437 VanDerWaalsContact O-N 3.16Å; H435-V438 WeakPolarHBondContact O-CB 3.41Å; H435-V438 WeakPolarHBondContact O-CG2 3.43Å; H435-V438 PolarHBondContact O-N 3.2Å; H435-H439 AromaticContact CD2-NE2 3.86Å; H435-H439 AromaticContact CE1-NE2 3.78Å; H435-H439 AromaticContact NE2-CE1 3.85Å; H435-H439 AromaticContact NE2-NE2 3.14Å; H435-H439 PolarHBondContact NE2-NE2 3.04Å; H435-H439 VanDerWaalsContact NE2-NE2 3.14Å
436	Q	90.5	Very high	90.5	Very high	81 Å²	81	67.5 Å²	67.5	38%	0.379	36%	0.362	S	S	.	.	H	α-helix	trans	-57.5	-30.5	177.8	-76	172.4	-35.4	0	0	112.5	L432 I433 V438 H439 T440	L432-Q436 HydrophobicContact CD1-CG 4.15Å; L432-Q436 HydrophobicContact CG-CG 4.47Å; L432-Q436 WeakPolarHBondContact O-CG 3.46Å; L432-Q436 PolarHBondContact O-N 2.87Å; I433-Q436 PolarHBondContact O-N 2.81Å; Q436-V438 PolarHBondContact O-N 3.31Å; Q436-V438 VanDerWaalsContact O-N 3.17Å; Q436-H439 PolarHBondContact O-N 3.16Å; Q436-T440 PolarHBondContact O-N 3.41Å; Q436-T440 VanDerWaalsContact O-N 3.08Å; Q436-T440 PolarHBondContact O-OG1 3.32Å
437	R	91.6	Very high	90.4	Very high	41 Å²	41	65.5 Å²	65.5	16%	0.155	35%	0.354	C	S	.	.	H	α-helix	trans	-60.3	-22.1	173.1	-63.2	179.8	-175.2	166.5	-0.7	114.3	I433 H435 H439 T440 G441 E442 Y445 S455	I433-R437 PolarHBondContact O-N 3.31Å; H435-R437 PolarHBondContact O-N 3.21Å; H435-R437 VanDerWaalsContact O-N 3.16Å; R437-H439 VanDerWaalsContact C-N 3.3Å; R437-T440 WeakPolarHBondContact CA-OG1 3.43Å; R437-G441 WeakPolarHBondContact O-CA 3.43Å; R437-G441 PolarHBondContact O-N 3Å; R437-E442 HydrophobicContact CB-CB 4.5Å; R437-E442 HydrophobicContact CG-CB 4.26Å; R437-E442 PolarHBondContact O-N 3.08Å; R437-Y445 VanDerWaalsContact NH1-CE2 3.34Å; R437-S455 WeakPolarHBondContact CD-O 3.41Å; R437-S455 PolarHBondContact NH1-O 2.89Å
438	V	89.6	Confident	90.2	Very high	104 Å²	104	69.4 Å²	69.4	63%	0.63	38%	0.378	S	S	*	.	H	α-helix	trans	-68.7	-35.2	174	-178.9	0	0	0	0	110.6	H435 Q436	H435-V438 WeakPolarHBondContact O-CB 3.41Å; H435-V438 WeakPolarHBondContact O-CG2 3.43Å; H435-V438 PolarHBondContact O-N 3.2Å; Q436-V438 PolarHBondContact O-N 3.31Å; Q436-V438 VanDerWaalsContact O-N 3.17Å
439	H	89.5	Confident	90	Very high	73 Å²	73	71.7 Å²	71.7	34%	0.338	39%	0.388	S	S	.	.	H	α-helix	trans	-82	-40.3	179.2	-54.7	-55.2	0	0	0	112.2	C419 H435 Q436 R437 G441	C419-H439 PolarHBondContact SG-NE2 3.31Å; H435-H439 AromaticContact CD2-NE2 3.86Å; H435-H439 AromaticContact CE1-NE2 3.78Å; H435-H439 AromaticContact NE2-CE1 3.85Å; H435-H439 AromaticContact NE2-NE2 3.14Å; H435-H439 PolarHBondContact NE2-NE2 3.04Å; H435-H439 VanDerWaalsContact NE2-NE2 3.14Å; Q436-H439 PolarHBondContact O-N 3.16Å; R437-H439 VanDerWaalsContact C-N 3.3Å; H439-G441 VanDerWaalsContact C-N 3.32Å
440	T	88.4	Confident	89.8	Confident	82 Å²	82	71.1 Å²	71.1	50%	0.503	38%	0.384	S	S	.	.	H	α-helix	trans	-79.9	-16.1	179.7	62	0	0	0	0	113.1	Q436 R437 E442	Q436-T440 PolarHBondContact O-N 3.41Å; Q436-T440 VanDerWaalsContact O-N 3.08Å; Q436-T440 PolarHBondContact O-OG1 3.32Å; R437-T440 WeakPolarHBondContact CA-OG1 3.43Å; T440-E442 PolarHBondContact O-N 3.43Å; T440-E442 WeakPolarHBondContact OG1-CG 2.87Å; T440-E442 PolarHBondContact OG1-N 2.84Å
441	G	87	Confident	89.4	Confident	51 Å²	51	75.8 Å²	75.8	53%	0.526	40%	0.399	S	S	.	.			trans	70.5	5.3	-173.9	0	0	0	0	0	114.1	R437 H439 K443	R437-G441 WeakPolarHBondContact O-CA 3.43Å; R437-G441 PolarHBondContact O-N 3Å; H439-G441 VanDerWaalsContact C-N 3.32Å; G441-K443 PolarHBondContact O-N 3.15Å
442	E	89.4	Confident	89.2	Confident	113 Å²	113	78.6 Å²	78.6	53%	0.528	41%	0.409	S	S	.	.			trans	-60	126	-178.5	-78	-179.9	-179.9	0	0	111.8	R437 T440 P444	R437-E442 HydrophobicContact CB-CB 4.5Å; R437-E442 HydrophobicContact CG-CB 4.26Å; R437-E442 PolarHBondContact O-N 3.08Å; T440-E442 PolarHBondContact O-N 3.43Å; T440-E442 WeakPolarHBondContact OG1-CG 2.87Å; T440-E442 PolarHBondContact OG1-N 2.84Å; E442-P444 WeakPolarHBondContact O-CD 3.43Å
443	K	89.2	Confident	89.1	Confident	130 Å²	130	79.6 Å²	79.6	57%	0.565	42%	0.417	S	S	*	.			trans	-124.8	77.1	177	-71.6	168	169.6	-171.7	0	110.1	G441 Y445 S453 F454	G441-K443 PolarHBondContact O-N 3.15Å; K443-Y445 PolarHBondContact O-N 2.96Å; K443-S453 WeakPolarHBondContact CD-O 3.28Å; K443-F454 CarbonylContact C-O 3.32Å; K443-F454 VanDerWaalsContact C-O 3.32Å; K443-F454 WeakPolarHBondContact CA-O 3.48Å
444	P	89.3	Confident	89	Confident	73 Å²	73	77.5 Å²	77.5	47%	0.474	41%	0.405	S	S	.	.			trans	-71.4	-11	-171.6	-18	32.7	0	0	0	114.6	E442	E442-P444 WeakPolarHBondContact O-CD 3.43Å
445	Y	90.6	Very high	88.8	Confident	75 Å²	75	78.2 Å²	78.2	29%	0.294	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	96.5	-174.1	-55.6	-72.9	0	0	0	110.1	R437 K443 S453 F454 S457	R437-Y445 VanDerWaalsContact NH1-CE2 3.34Å; K443-Y445 PolarHBondContact O-N 2.96Å; Y445-S453 CarbonylContact O-C 3.55Å; Y445-S453 WeakPolarHBondContact O-CA 3.4Å; Y445-F454 WeakPolarHBondContact CD2-O 3.47Å; Y445-F454 PolarHBondContact N-O 3.09Å; Y445-F454 PolarHBondContact O-N 3.42Å; Y445-S457 VanDerWaalsContact CD2-N 3.31Å; Y445-S457 VanDerWaalsContact CE2-N 3.25Å
446	E	88.9	Confident	88.6	Confident	110 Å²	110	82.6 Å²	82.6	51%	0.514	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	140.2	179.4	-171.1	170.6	178.5	0	0	111.8
447	C	91	Very high	88.6	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	43%	0.427	C	S	.	.			trans	-83.5	119.1	170.4	-178.8	0	0	0	0	109.4	E449 E451 K452 F454 L460 H467	C447-E449 PolarHBondContact O-N 3.47Å; C447-E451 VanDerWaalsContact O-CA 3.24Å; C447-E451 WeakPolarHBondContact O-CA 3.49Å; C447-E451 PolarHBondContact O-N 3.35Å; C447-K452 HydrophobicContact CB-CB 4.42Å; C447-K452 WeakPolarHBondContact CB-O 3.42Å; C447-K452 PolarHBondContact N-O 3.06Å; C447-F454 HydrophobicContact CB-CE2 4.48Å; C447-L460 HydrophobicContact CB-CD1 3.72Å; C447-H467 PolarHBondContact SG-NE2 3.11Å
448	T	87.4	Confident	88.5	Confident	121 Å²	121	82.6 Å²	82.6	74%	0.742	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-16.4	178.8	49.9	0	0	0	0	114
449	E	87.7	Confident	88.5	Confident	116 Å²	116	79.3 Å²	79.3	54%	0.542	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-25.6	-176	-70.3	160.5	179.1	0	0	112.8	C447 H467	C447-E449 PolarHBondContact O-N 3.47Å; E449-H467 WeakPolarHBondContact OE2-CB 3.27Å; E449-H467 IonicContact OE2-CD2 2.97Å; E449-H467 PolarHBondContact OE2-CD2 3.33Å; E449-H467 IonicContact OE2-CG 3.17Å; E449-H467 IonicContact OE2-NE2 3.5Å
450	C	88.1	Confident	88.6	Confident	43 Å²	43	76.8 Å²	76.8	29%	0.291	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.8	19.6	-178	78.4	0	0	0	0	114.5	K452 H463 H467	C450-K452 PolarHBondContact O-N 3.31Å; C450-H463 PolarHBondContact SG-NE2 3.11Å; C450-H467 VanDerWaalsContact SG-CE1 3.58Å; C450-H467 PolarHBondContact SG-NE2 3.13Å
451	E	82.3	Confident	88.6	Confident	156 Å²	156	77.7 Å²	77.7	73%	0.729	42%	0.415	S	S	*	.			trans	54.1	14.9	175.1	-60.8	178.2	176.2	0	0	115	C447 S453	C447-E451 VanDerWaalsContact O-CA 3.24Å; C447-E451 WeakPolarHBondContact O-CA 3.49Å; C447-E451 PolarHBondContact O-N 3.35Å; E451-S453 PolarHBondContact O-N 2.81Å
452	K	88	Confident	88.8	Confident	118 Å²	118	82.2 Å²	82.2	51%	0.513	42%	0.421	S	S	.	.			trans	-76.6	123.2	177.5	-76	178.9	-172.7	167.3	0	109.6	C447 C450 F454	C447-K452 HydrophobicContact CB-CB 4.42Å; C447-K452 WeakPolarHBondContact CB-O 3.42Å; C447-K452 PolarHBondContact N-O 3.06Å; C450-K452 PolarHBondContact O-N 3.31Å; K452-F454 HydrophobicContact CB-CE2 3.81Å; K452-F454 HydrophobicContact CB-CZ 3.97Å; K452-F454 WeakPolarHBondContact O-CD2 3.41Å; K452-F454 VanDerWaalsContact O-CE2 3.24Å; K452-F454 WeakPolarHBondContact O-CE2 3.43Å
453	S	89.5	Confident	88.8	Confident	41 Å²	41	78 Å²	78	29%	0.287	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	139.8	178.8	-52.1	0	0	0	0	112.8	K443 Y445 E451	K443-S453 WeakPolarHBondContact CD-O 3.28Å; Y445-S453 CarbonylContact O-C 3.55Å; Y445-S453 WeakPolarHBondContact O-CA 3.4Å; E451-S453 PolarHBondContact O-N 2.81Å
454	F	88.9	Confident	88.7	Confident	44 Å²	44	75.6 Å²	75.6	19%	0.193	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	149.8	-176.2	-58.6	-90.4	0	0	0	111.3	K443 Y445 C447 K452 R456 A459 L460 H463	K443-F454 CarbonylContact C-O 3.32Å; K443-F454 VanDerWaalsContact C-O 3.32Å; K443-F454 WeakPolarHBondContact CA-O 3.48Å; Y445-F454 WeakPolarHBondContact CD2-O 3.47Å; Y445-F454 PolarHBondContact N-O 3.09Å; Y445-F454 PolarHBondContact O-N 3.42Å; C447-F454 HydrophobicContact CB-CE2 4.48Å; K452-F454 HydrophobicContact CB-CE2 3.81Å; K452-F454 HydrophobicContact CB-CZ 3.97Å; K452-F454 WeakPolarHBondContact O-CD2 3.41Å; K452-F454 VanDerWaalsContact O-CE2 3.24Å; K452-F454 WeakPolarHBondContact O-CE2 3.43Å; F454-R456 VanDerWaalsContact C-N 3.35Å; F454-A459 HydrophobicContact CB-CB 4.2Å; F454-A459 HydrophobicContact CD1-CB 3.91Å; F454-A459 HydrophobicContact CG-CB 4.29Å; F454-L460 HydrophobicContact CB-CB 4.45Å; F454-L460 HydrophobicContact CD2-CB 3.95Å; F454-L460 HydrophobicContact CD2-CD1 3.85Å; F454-L460 HydrophobicContact CE2-CD1 3.97Å; F454-L460 HydrophobicContact CG-CB 4.38Å; F454-H463 HydrophobicContact CE1-CB 4.06Å; F454-H463 HydrophobicContact CE2-CB 3.9Å; F454-H463 AromaticContact CE2-CD2 3.38Å; F454-H463 WeakPolarHBondContact CE2-CD2 3.44Å; F454-H463 AromaticContact CE2-CG 3.72Å; F454-H463 HydrophobicContact CZ-CB 3.46Å; F454-H463 VanDerWaalsContact CZ-CB 3.46Å; F454-H463 AromaticContact CZ-CD2 3.39Å; F454-H463 WeakPolarHBondContact CZ-CD2 2.89Å; F454-H463 AromaticContact CZ-CG 3.28Å; F454-H463 AromaticContact CZ-ND1 3.99Å
455	S	86.6	Confident	88.7	Confident	45 Å²	45	79.6 Å²	79.6	32%	0.315	40%	0.396	S	S	.	.	S	Bend	trans	-81.2	-14	177.2	58.8	0	0	0	0	113.6	R437	R437-S455 WeakPolarHBondContact CD-O 3.41Å; R437-S455 PolarHBondContact NH1-O 2.89Å
456	R	88	Confident	88.6	Confident	118 Å²	118	80.6 Å²	80.6	45%	0.445	41%	0.41	S	S	.	.	S	Bend	trans	-134	138.5	-179.4	-72.1	-179.2	157.6	157.4	-3.3	111.5	T434 F454 S458 A459 L460	T434-R456 PolarHBondContact OG1-NH2 3.45Å; F454-R456 VanDerWaalsContact C-N 3.35Å; R456-S458 VanDerWaalsContact C-N 3.31Å; R456-S458 PolarHBondContact O-N 3.31Å; R456-A459 HydrophobicContact CB-CB 4.37Å; R456-A459 WeakPolarHBondContact O-CB 3.5Å; R456-A459 PolarHBondContact O-N 3.12Å; R456-A459 VanDerWaalsContact O-N 3.14Å; R456-L460 PolarHBondContact O-N 2.74Å
457	S	89.5	Confident	88.3	Confident	56 Å²	56	78.7 Å²	78.7	39%	0.392	40%	0.4	S	S	.	.	H	α-helix	trans	-63.3	-35.8	178	58.1	0	0	0	0	112.6	Y445 A459 L460 I461	Y445-S457 VanDerWaalsContact CD2-N 3.31Å; Y445-S457 VanDerWaalsContact CE2-N 3.25Å; S457-A459 VanDerWaalsContact C-N 3.26Å; S457-A459 PolarHBondContact O-N 2.72Å; S457-L460 PolarHBondContact O-N 3.22Å; S457-I461 WeakPolarHBondContact O-CG1 3.43Å; S457-I461 PolarHBondContact O-N 2.9Å
458	S	90.3	Very high	87.5	Confident	66 Å²	66	83.9 Å²	83.9	46%	0.462	43%	0.432	S	S	.	.	H	α-helix	trans	-63.6	-31.1	176	56.3	0	0	0	0	113	R456 K462	R456-S458 VanDerWaalsContact C-N 3.31Å; R456-S458 PolarHBondContact O-N 3.31Å; S458-K462 WeakPolarHBondContact O-CG 3.33Å; S458-K462 PolarHBondContact O-N 3.03Å; S458-K462 VanDerWaalsContact O-N 3.13Å
459	A	90	Very high	85.9	Confident	35 Å²	35	87.3 Å²	87.3	29%	0.289	45%	0.446	S	S	.	.	H	α-helix	trans	-71.2	-42.1	174.1	0	0	0	0	0	110.9	F454 R456 S457 K462 H463	F454-A459 HydrophobicContact CB-CB 4.2Å; F454-A459 HydrophobicContact CD1-CB 3.91Å; F454-A459 HydrophobicContact CG-CB 4.29Å; R456-A459 HydrophobicContact CB-CB 4.37Å; R456-A459 WeakPolarHBondContact O-CB 3.5Å; R456-A459 PolarHBondContact O-N 3.12Å; R456-A459 VanDerWaalsContact O-N 3.14Å; S457-A459 VanDerWaalsContact C-N 3.26Å; S457-A459 PolarHBondContact O-N 2.72Å; A459-K462 PolarHBondContact O-N 2.82Å; A459-H463 WeakPolarHBondContact O-CB 3.27Å; A459-H463 PolarHBondContact O-N 2.9Å
460	L	90.1	Very high	85.8	Confident	20 Å²	20	85.9 Å²	85.9	11%	0.105	44%	0.441	C	S	.	.	H	α-helix	trans	-60.6	-45.8	172.6	175.4	62.8	0	0	0	111.7	C447 F454 R456 S457 K462 H463 K464	C447-L460 HydrophobicContact CB-CD1 3.72Å; F454-L460 HydrophobicContact CB-CB 4.45Å; F454-L460 HydrophobicContact CD2-CB 3.95Å; F454-L460 HydrophobicContact CD2-CD1 3.85Å; F454-L460 HydrophobicContact CE2-CD1 3.97Å; F454-L460 HydrophobicContact CG-CB 4.38Å; R456-L460 PolarHBondContact O-N 2.74Å; S457-L460 PolarHBondContact O-N 3.22Å; L460-K462 VanDerWaalsContact C-N 3.32Å; L460-K462 PolarHBondContact O-N 3.13Å; L460-H463 WeakPolarHBondContact O-CB 3.4Å; L460-H463 PolarHBondContact O-N 2.72Å; L460-H463 VanDerWaalsContact O-N 3.11Å; L460-K464 HydrophobicContact CD1-CG 4.09Å; L460-K464 HydrophobicContact CG-CD 4.5Å; L460-K464 HydrophobicContact CG-CG 4.39Å; L460-K464 WeakPolarHBondContact O-CG 3.44Å; L460-K464 PolarHBondContact O-N 3.38Å
461	I	89.4	Confident	85.7	Confident	101 Å²	101	88.1 Å²	88.1	52%	0.518	45%	0.449	S	S	.	.	H	α-helix	trans	-59.9	-42.5	178.7	-68.8	166	0	0	0	111.1	S457	S457-I461 WeakPolarHBondContact O-CG1 3.43Å; S457-I461 PolarHBondContact O-N 2.9Å
462	K	90.3	Very high	85.9	Confident	146 Å²	146	84.3 Å²	84.3	64%	0.635	43%	0.434	S	S	*	.	H	α-helix	trans	-65.1	-40.7	174.9	-73.6	179.6	-178	-172.3	0	111.7	S458 A459 L460 R465	S458-K462 WeakPolarHBondContact O-CG 3.33Å; S458-K462 PolarHBondContact O-N 3.03Å; S458-K462 VanDerWaalsContact O-N 3.13Å; A459-K462 PolarHBondContact O-N 2.82Å; L460-K462 VanDerWaalsContact C-N 3.32Å; L460-K462 PolarHBondContact O-N 3.13Å; K462-R465 WeakPolarHBondContact O-CB 3.38Å; K462-R465 PolarHBondContact O-N 3.14Å
463	H	89.6	Confident	85.8	Confident	23 Å²	23	82.4 Å²	82.4	11%	0.106	43%	0.429	C	S	.	.	H	α-helix	trans	-65.8	-40.7	178.5	173.8	56.2	0	0	0	112.7	C450 F454 A459 L460 R465 V466 H467	C450-H463 PolarHBondContact SG-NE2 3.11Å; F454-H463 HydrophobicContact CE1-CB 4.06Å; F454-H463 HydrophobicContact CE2-CB 3.9Å; F454-H463 AromaticContact CE2-CD2 3.38Å; F454-H463 WeakPolarHBondContact CE2-CD2 3.44Å; F454-H463 AromaticContact CE2-CG 3.72Å; F454-H463 HydrophobicContact CZ-CB 3.46Å; F454-H463 VanDerWaalsContact CZ-CB 3.46Å; F454-H463 AromaticContact CZ-CD2 3.39Å; F454-H463 WeakPolarHBondContact CZ-CD2 2.89Å; F454-H463 AromaticContact CZ-CG 3.28Å; F454-H463 AromaticContact CZ-ND1 3.99Å; A459-H463 WeakPolarHBondContact O-CB 3.27Å; A459-H463 PolarHBondContact O-N 2.9Å; L460-H463 WeakPolarHBondContact O-CB 3.4Å; L460-H463 PolarHBondContact O-N 2.72Å; L460-H463 VanDerWaalsContact O-N 3.11Å; H463-R465 PolarHBondContact O-N 3.09Å; H463-R465 VanDerWaalsContact O-N 3.09Å; H463-V466 VanDerWaalsContact O-CB 3.24Å; H463-V466 WeakPolarHBondContact O-CB 3.36Å; H463-V466 WeakPolarHBondContact O-CG2 3.31Å; H463-V466 PolarHBondContact O-N 3.24Å; H463-H467 AromaticContact CD2-NE2 4Å; H463-H467 AromaticContact CE1-NE2 3.55Å; H463-H467 AromaticContact NE2-NE2 3.17Å; H463-H467 PolarHBondContact NE2-NE2 3.35Å; H463-H467 VanDerWaalsContact NE2-NE2 3.17Å
464	K	87.1	Confident	85.5	Confident	81 Å²	81	84.9 Å²	84.9	35%	0.352	44%	0.438	S	S	.	.	H	α-helix	trans	-57.3	-24.9	176.5	-76.1	-169.2	173.3	-157.5	0	113.3	L460 V466 H467	L460-K464 HydrophobicContact CD1-CG 4.09Å; L460-K464 HydrophobicContact CG-CD 4.5Å; L460-K464 HydrophobicContact CG-CG 4.39Å; L460-K464 WeakPolarHBondContact O-CG 3.44Å; L460-K464 PolarHBondContact O-N 3.38Å; K464-V466 PolarHBondContact O-N 3.37Å; K464-H467 PolarHBondContact O-N 2.98Å
465	R	89.2	Confident	85.3	Confident	156 Å²	156	87.7 Å²	87.7	59%	0.589	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-65	-25.8	174.8	-61.4	178.9	-175.4	-173.4	-4.3	113.2	K462 H463 H467 T468 D469	K462-R465 WeakPolarHBondContact O-CB 3.38Å; K462-R465 PolarHBondContact O-N 3.14Å; H463-R465 PolarHBondContact O-N 3.09Å; H463-R465 VanDerWaalsContact O-N 3.09Å; R465-H467 PolarHBondContact O-N 3.45Å; R465-T468 VanDerWaalsContact CA-OG1 3.31Å; R465-T468 WeakPolarHBondContact CA-OG1 3.32Å; R465-T468 PolarHBondContact O-N 3.29Å; R465-T468 PolarHBondContact O-OG1 2.81Å; R465-D469 PolarHBondContact O-N 3.18Å
466	V	87.9	Confident	85.2	Confident	96 Å²	96	90.7 Å²	90.7	58%	0.582	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-71.2	-18.7	177.9	-175.2	0	0	0	0	111.9	H463 K464	H463-V466 VanDerWaalsContact O-CB 3.24Å; H463-V466 WeakPolarHBondContact O-CB 3.36Å; H463-V466 WeakPolarHBondContact O-CG2 3.31Å; H463-V466 PolarHBondContact O-N 3.24Å; K464-V466 PolarHBondContact O-N 3.37Å
467	H	82.9	Confident	85	Confident	70 Å²	70	88.6 Å²	88.6	32%	0.324	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-96.1	-9.5	175.8	-58.4	-59	0	0	0	112.8	C447 E449 C450 H463 K464 R465	C447-H467 PolarHBondContact SG-NE2 3.11Å; E449-H467 WeakPolarHBondContact OE2-CB 3.27Å; E449-H467 IonicContact OE2-CD2 2.97Å; E449-H467 PolarHBondContact OE2-CD2 3.33Å; E449-H467 IonicContact OE2-CG 3.17Å; E449-H467 IonicContact OE2-NE2 3.5Å; C450-H467 VanDerWaalsContact SG-CE1 3.58Å; C450-H467 PolarHBondContact SG-NE2 3.13Å; H463-H467 AromaticContact CD2-NE2 4Å; H463-H467 AromaticContact CE1-NE2 3.55Å; H463-H467 AromaticContact NE2-NE2 3.17Å; H463-H467 PolarHBondContact NE2-NE2 3.35Å; H463-H467 VanDerWaalsContact NE2-NE2 3.17Å; K464-H467 PolarHBondContact O-N 2.98Å; R465-H467 PolarHBondContact O-N 3.45Å
468	T	75.8	Confident	84.6	Confident	109 Å²	109	91.3 Å²	91.3	67%	0.669	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-7.5	177.6	55.9	0	0	0	0	113.4	R465	R465-T468 VanDerWaalsContact CA-OG1 3.31Å; R465-T468 WeakPolarHBondContact CA-OG1 3.32Å; R465-T468 PolarHBondContact O-N 3.29Å; R465-T468 PolarHBondContact O-OG1 2.81Å
469	D	53.3	Low	84.1	Confident	193 Å²	193	93.6 Å²	93.6	100%	1.032	47%	0.473	S	S	*	.			trans	-103.4	0	168.8	-68.9	-26.3	0	0	0	108.7	R465	R465-D469 PolarHBondContact O-N 3.18Å

Retrieved 469 of 469 residues in 72 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).