A0A096MVU8_PAPAN Loading...

Zinc finger protein 436

AlphaFold DB (A0A2K6BKJ1), UniProt , Accession A0A096MVU8, Species PAPAN (Papio anubis, Olive baboon), 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 80.4 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).