G4VD46_SCHMA Loading...

Putative dna-directed RNA polymerase I

AlphaFold DB , UniProt , Accession G4VD46, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 490 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.4	Very low	35.7	Very low	248 Å²	248	148.9 Å²	148.9	100%	1.222	72%	0.72	S	S	*	*				0	41.3	0	-145.8	-179.6	-145.5	0	0	109.6	S3	M1-S3 PolarHBondContact O-N 3.3Å
2	E	33.2	Very low	35.8	Very low	189 Å²	189	147.1 Å²	147.1	88%	0.883	72%	0.716	S	S	*	*			trans	-79.6	107.9	173.5	-75.9	176.5	163.2	0	0	106.6	R4	E2-R4 PolarHBondContact O-N 3.23Å
3	S	37.3	Very low	36	Very low	93 Å²	93	145.1 Å²	145.1	65%	0.65	70%	0.701	S	S	*	*			trans	-50.8	112.6	170.7	57.6	0	0	0	0	107.4	M1 I5	M1-S3 PolarHBondContact O-N 3.3Å; S3-I5 PolarHBondContact O-N 3.39Å
4	R	34.5	Very low	36.3	Very low	244 Å²	244	146.4 Å²	146.4	92%	0.921	71%	0.713	S	S	*	*			trans	-60.6	78.9	155.1	-74	180	176.6	-179.6	-1.5	106	E2 K6	E2-R4 PolarHBondContact O-N 3.23Å; R4-K6 PolarHBondContact O-N 3.38Å
5	I	34.5	Very low	36.8	Very low	136 Å²	136	147.9 Å²	147.9	70%	0.697	72%	0.718	S	S	*	*			trans	-57.6	98.9	152.6	-62.4	173.3	0	0	0	101.2	S3 K7	S3-I5 PolarHBondContact O-N 3.39Å; I5-K7 PolarHBondContact O-N 2.89Å
6	K	33.2	Very low	37.4	Very low	184 Å²	184	141 Å²	141	80%	0.8	70%	0.697	S	S	*	*			trans	-49.6	103.7	161.4	-83	-179	173.9	-179.2	0	102.6	R4 T8	R4-K6 PolarHBondContact O-N 3.38Å; K6-T8 PolarHBondContact O-N 3.14Å
7	K	32.5	Very low	38.1	Very low	182 Å²	182	135.2 Å²	135.2	79%	0.791	67%	0.671	S	S	*	*			trans	-53.4	101.3	161.8	-86.6	-178.6	169.2	-176.9	0	102.6	I5 C9	I5-K7 PolarHBondContact O-N 2.89Å; K7-C9 PolarHBondContact O-N 2.82Å
8	T	35.4	Very low	38.8	Very low	71 Å²	71	130.3 Å²	130.3	44%	0.436	65%	0.648	S	S	.	*			trans	-59.9	85.5	158.4	11.6	0	0	0	0	103.4	K6 Y10	K6-T8 PolarHBondContact O-N 3.14Å; T8-Y10 VanDerWaalsContact C-N 3.31Å; T8-Y10 VanDerWaalsContact O-CD2 3.32Å; T8-Y10 WeakPolarHBondContact O-CD2 3.47Å; T8-Y10 PolarHBondContact O-N 3.26Å
9	C	36.1	Very low	39.4	Very low	101 Å²	101	127.1 Å²	127.1	68%	0.682	63%	0.631	S	S	*	*			trans	-62.6	101.8	169.4	-92.2	0	0	0	0	104.8	K7 E11	K7-C9 PolarHBondContact O-N 2.82Å; C9-E11 PolarHBondContact O-N 3.46Å
10	Y	45.4	Very low	39.9	Very low	63 Å²	63	124.5 Å²	124.5	25%	0.247	62%	0.616	C	S	.	*			trans	-69.4	121.4	165.8	-58.3	-75.4	0	0	0	106.6	T8 F298	T8-Y10 VanDerWaalsContact C-N 3.31Å; T8-Y10 VanDerWaalsContact O-CD2 3.32Å; T8-Y10 WeakPolarHBondContact O-CD2 3.47Å; T8-Y10 PolarHBondContact O-N 3.26Å; Y10-F298 HydrophobicContact CD1-CD2 4.05Å; Y10-F298 AromaticContact CD1-CE2 3.44Å; Y10-F298 HydrophobicContact CD1-CE2 3.44Å; Y10-F298 VanDerWaalsContact CD1-CE2 3.44Å; Y10-F298 AromaticContact CD1-CZ 3.83Å; Y10-F298 HydrophobicContact CD1-CZ 3.83Å; Y10-F298 HydrophobicContact CD2-CD2 4.2Å; Y10-F298 HydrophobicContact CD2-CE2 4.29Å; Y10-F298 HydrophobicContact CE1-CD2 4.08Å; Y10-F298 HydrophobicContact CE1-CE1 4.41Å; Y10-F298 AromaticContact CE1-CE2 3.75Å; Y10-F298 HydrophobicContact CE1-CE2 3.75Å; Y10-F298 AromaticContact CE1-CZ 3.93Å; Y10-F298 HydrophobicContact CE1-CZ 3.93Å; Y10-F298 HydrophobicContact CE2-CD2 4.22Å; Y10-F298 HydrophobicContact CG-CD2 4.11Å; Y10-F298 AromaticContact CG-CE2 3.73Å; Y10-F298 HydrophobicContact CG-CE2 3.73Å
11	E	38.3	Very low	40.2	Very low	127 Å²	127	121.9 Å²	121.9	59%	0.593	61%	0.608	S	S	*	*			trans	-89.8	111.1	179.1	-158.4	176.7	-146.1	0	0	107.9	C9 K13	C9-E11 PolarHBondContact O-N 3.46Å; E11-K13 HydrophobicContact CG-CG 4.34Å; E11-K13 PolarHBondContact O-N 3.47Å; E11-K13 VanDerWaalsContact O-N 3.1Å; E11-K13 WeakPolarHBondContact OE2-CE 3.37Å; E11-K13 IonicContact OE2-NZ 3.26Å
12	L	36.8	Very low	40.9	Very low	127 Å²	127	112.4 Å²	112.4	67%	0.665	57%	0.574	S	S	*	*	B	Isolated β-bridge	trans	-75.2	94.2	169.6	-161	143	0	0	0	106.6	L18	L12-L18 HydrophobicContact CB-CD2 4.41Å; L12-L18 HydrophobicContact CD1-CD2 4.39Å
13	K	38.7	Very low	41.5	Very low	121 Å²	121	109.7 Å²	109.7	53%	0.526	57%	0.571	S	S	.	*			trans	-75.3	154.2	172.7	-68.6	-170.8	177.7	-179.4	0	109.9	E11 H15 G16	E11-K13 HydrophobicContact CG-CG 4.34Å; E11-K13 PolarHBondContact O-N 3.47Å; E11-K13 VanDerWaalsContact O-N 3.1Å; E11-K13 WeakPolarHBondContact OE2-CE 3.37Å; E11-K13 IonicContact OE2-NZ 3.26Å; K13-H15 PolarHBondContact O-N 3.42Å; K13-G16 PolarHBondContact O-N 2.95Å
14	D	39.6	Very low	42.3	Very low	163 Å²	163	114.4 Å²	114.4	87%	0.872	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.1	-6.9	-169.2	-67.6	-36.7	0	0	0	117.2
15	H	44.5	Very low	43.7	Very low	170 Å²	170	107.2 Å²	107.2	79%	0.787	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	8.8	179	-54.3	-41.5	0	0	0	114.1	K13 V17	K13-H15 PolarHBondContact O-N 3.42Å; H15-V17 VanDerWaalsContact C-N 3.26Å; H15-V17 PolarHBondContact O-N 2.82Å
16	G	46.6	Very low	45.7	Very low	37 Å²	37	108.8 Å²	108.8	38%	0.381	56%	0.559	S	S	.	*	S	Bend	trans	71.2	18.2	173.9	0	0	0	0	0	114.8	K13	K13-G16 PolarHBondContact O-N 2.95Å
17	V	49.2	Very low	48	Very low	43 Å²	43	102.3 Å²	102.3	26%	0.261	53%	0.53	S	S	.	.			trans	-99.5	116	175.1	-178.8	0	0	0	0	108.9	H15 M301	H15-V17 VanDerWaalsContact C-N 3.26Å; H15-V17 PolarHBondContact O-N 2.82Å; V17-M301 HydrophobicContact CG1-CE 4.32Å
18	L	50.7	Low	50.5	Low	46 Å²	46	95.7 Å²	95.7	24%	0.241	51%	0.506	C	S	.	.	B	Isolated β-bridge	trans	-84.1	110.2	175.3	-73.5	165.5	0	0	0	109.7	L12 F298 M301	L12-L18 HydrophobicContact CB-CD2 4.41Å; L12-L18 HydrophobicContact CD1-CD2 4.39Å; L18-F298 HydrophobicContact CB-CE2 3.75Å; L18-F298 HydrophobicContact CB-CZ 3.88Å; L18-F298 HydrophobicContact CD1-CD2 4.36Å; L18-F298 HydrophobicContact CD1-CE2 3.98Å; L18-F298 HydrophobicContact CD2-CE2 4.34Å; L18-F298 HydrophobicContact CG-CE2 4.24Å; L18-M301 PolarHBondContact O-N 3.19Å
19	H	50.5	Low	53	Low	70 Å²	70	94 Å²	94	32%	0.324	50%	0.495	S	S	.	.			trans	-90.1	146.8	175	-74.8	-91.6	0	0	0	111.7	P21 S303	H19-P21 WeakPolarHBondContact O-CD 3.48Å; H19-S303 VanDerWaalsContact CE1-CB 3.48Å; H19-S303 WeakPolarHBondContact CE1-CB 3.23Å; H19-S303 PolarHBondContact CE1-OG 2.91Å; H19-S303 PolarHBondContact ND1-OG 3.29Å
20	H	48.3	Very low	55.6	Low	75 Å²	75	93.7 Å²	93.7	35%	0.347	49%	0.493	S	S	.	.			trans	-82.1	118.5	162.5	-167.7	-62.3	0	0	0	109	G22 I239 K241	H20-G22 PolarHBondContact O-N 2.87Å; H20-I239 HydrophobicContact CB-CD1 4.01Å; H20-K241 PolarHBondContact CD2-NZ 2.97Å; H20-K241 PolarHBondContact NE2-NZ 3.41Å
21	P	45.8	Very low	57.8	Low	69 Å²	69	92.8 Å²	92.8	45%	0.448	49%	0.494	S	S	.	.			trans	-71.2	95.3	170.7	27.2	-29.7	0	0	0	108	H19	H19-P21 WeakPolarHBondContact O-CD 3.48Å
22	G	47.2	Very low	60.3	Low	49 Å²	49	87 Å²	87	51%	0.505	47%	0.467	S	S	.	.			trans	-62.5	155	157	0	0	0	0	0	108.9	H20 E24	H20-G22 PolarHBondContact O-N 2.87Å; G22-E24 PolarHBondContact O-N 2.7Å
23	V	46.8	Very low	63.1	Low	133 Å²	133	85 Å²	85	81%	0.806	45%	0.453	S	S	*	.			trans	-58.1	113.5	164.9	177.9	0	0	0	0	106.3	D25	V23-D25 PolarHBondContact O-N 3.34Å
24	E	54.7	Low	65.7	Low	192 Å²	192	88.1 Å²	88.1	90%	0.897	47%	0.467	S	S	*	.			trans	-69.4	84	178.1	-73.5	-170.9	172.5	0	0	108.8	G22 R26	G22-E24 PolarHBondContact O-N 2.7Å; E24-R26 PolarHBondContact O-N 3.39Å
25	D	63.9	Low	68.3	Low	92 Å²	92	84.6 Å²	84.6	49%	0.492	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-56.9	135.4	162.7	-72.7	-30.2	0	0	0	107.9	V23 W27 K35	V23-D25 PolarHBondContact O-N 3.34Å; D25-W27 PolarHBondContact O-N 3.28Å; D25-K35 IonicContact OD2-NZ 3.73Å; D25-K35 PolarHBondContact OD2-NZ 2.99Å
26	R	74.8	Confident	70.7	Confident	170 Å²	170	77 Å²	77	64%	0.642	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-51.8	119.7	174.2	-178.9	177.7	171.9	157.4	3.7	108.9	E24 S28 E426	E24-R26 PolarHBondContact O-N 3.39Å; R26-S28 PolarHBondContact O-N 3.05Å; R26-E426 IonicContact CZ-OE1 2.73Å; R26-E426 IonicContact CZ-OE2 2.7Å; R26-E426 VanDerWaalsContact CZ-OE2 3.23Å; R26-E426 IonicContact NE-OE1 3.12Å; R26-E426 PolarHBondContact NE-OE1 3.26Å; R26-E426 IonicContact NH1-OE1 2.84Å; R26-E426 PolarHBondContact NH1-OE1 3.09Å; R26-E426 IonicContact NH1-OE2 3.06Å; R26-E426 PolarHBondContact NH1-OE2 3.49Å; R26-E426 VanDerWaalsContact NH1-OE2 3.12Å; R26-E426 IonicContact NH2-OE1 3.95Å; R26-E426 PolarHBondContact NH2-OE1 3.14Å; R26-E426 IonicContact NH2-OE2 3.04Å; R26-E426 PolarHBondContact NH2-OE2 3.24Å
27	W	81.7	Confident	73	Confident	47 Å²	47	78.5 Å²	78.5	18%	0.178	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-63.7	132.3	178.7	-172.6	96.3	0	0	0	109.4	D25 L29 F32 Y420 R424 C464	D25-W27 PolarHBondContact O-N 3.28Å; W27-L29 HydrophobicContact CH2-CB 4.42Å; W27-F32 HydrophobicContact CZ2-CB 4.05Å; W27-F32 HydrophobicContact CZ2-CG 4.4Å; W27-Y420 HydrophobicContact CZ2-CE1 4.38Å; W27-Y420 PolarHBondContact NE1-OH 3.41Å; W27-R424 HydrophobicContact CD2-CB 4.41Å; W27-R424 HydrophobicContact CD2-CG 3.81Å; W27-R424 HydrophobicContact CE3-CB 3.56Å; W27-R424 HydrophobicContact CE3-CG 3.43Å; W27-R424 VanDerWaalsContact CE3-CG 3.43Å; W27-R424 HydrophobicContact CG-CG 4.34Å; W27-R424 HydrophobicContact CZ3-CB 3.83Å; W27-R424 HydrophobicContact CZ3-CG 3.87Å; W27-C464 WeakPolarHBondContact CH2-SG 3.35Å
28	S	85.3	Confident	75.3	Confident	43 Å²	43	76.9 Å²	76.9	30%	0.301	40%	0.395	S	S	.	.			trans	-143.9	157	166.7	64.7	0	0	0	0	108.6	R26 S30 V31 F32	R26-S28 PolarHBondContact O-N 3.05Å; S28-S30 PolarHBondContact O-N 2.93Å; S28-V31 PolarHBondContact O-N 2.86Å; S28-V31 VanDerWaalsContact O-N 3.1Å; S28-V31 WeakPolarHBondContact OG-CB 3.44Å; S28-V31 WeakPolarHBondContact OG-CG2 3.39Å; S28-V31 PolarHBondContact OG-N 2.62Å; S28-F32 PolarHBondContact O-N 3.43Å
29	L	88.5	Confident	77.4	Confident	37 Å²	37	78.6 Å²	78.6	19%	0.194	40%	0.402	C	S	.	.	H	α-helix	trans	-55.8	-37.1	175.5	-177.5	62.4	0	0	0	111.8	W27 F32 K33 D467 C468	W27-L29 HydrophobicContact CH2-CB 4.42Å; L29-F32 HydrophobicContact CD1-CD1 4.44Å; L29-F32 PolarHBondContact O-N 3.13Å; L29-K33 HydrophobicContact CD1-CD 4.48Å; L29-K33 HydrophobicContact CD1-CG 4.43Å; L29-K33 HydrophobicContact CG-CD 4.22Å; L29-K33 WeakPolarHBondContact O-CB 3.43Å; L29-K33 VanDerWaalsContact O-CG 3.26Å; L29-K33 WeakPolarHBondContact O-CG 3.48Å; L29-K33 PolarHBondContact O-N 2.64Å; L29-D467 HydrophobicContact CD1-CB 4.06Å; L29-D467 HydrophobicContact CD2-CB 3.73Å; L29-C468 VanDerWaalsContact CD1-SG 3.56Å
30	S	91.2	Very high	79.4	Confident	93 Å²	93	76.5 Å²	76.5	65%	0.65	39%	0.393	S	S	*	.	H	α-helix	trans	-66.5	-41.9	177.3	-54.5	0	0	0	0	112.5	S28 K34	S28-S30 PolarHBondContact O-N 2.93Å; S30-K34 WeakPolarHBondContact O-CB 3.36Å; S30-K34 PolarHBondContact O-N 3.27Å; S30-K34 VanDerWaalsContact O-N 3.16Å
31	V	89.8	Confident	81.4	Confident	45 Å²	45	76.5 Å²	76.5	27%	0.273	40%	0.395	S	S	.	.	H	α-helix	trans	-66.6	-43.4	175.6	171.8	0	0	0	0	110.5	S28 K34 K35	S28-V31 PolarHBondContact O-N 2.86Å; S28-V31 VanDerWaalsContact O-N 3.1Å; S28-V31 WeakPolarHBondContact OG-CB 3.44Å; S28-V31 WeakPolarHBondContact OG-CG2 3.39Å; S28-V31 PolarHBondContact OG-N 2.62Å; V31-K34 PolarHBondContact O-N 3.34Å; V31-K35 HydrophobicContact CG1-CD 3.89Å; V31-K35 HydrophobicContact CG1-CG 4.34Å; V31-K35 WeakPolarHBondContact O-CG 3.28Å; V31-K35 PolarHBondContact O-N 2.89Å
32	F	92.4	Very high	82.9	Confident	5 Å²	5	79.1 Å²	79.1	2%	0.022	40%	0.396	C	S	.	.	H	α-helix	trans	-57.2	-52.5	174.6	172.5	-104.3	0	0	0	111.1	W27 S28 L29 K34 K35 F36 L57 F61 C468 M472	W27-F32 HydrophobicContact CZ2-CB 4.05Å; W27-F32 HydrophobicContact CZ2-CG 4.4Å; S28-F32 PolarHBondContact O-N 3.43Å; L29-F32 HydrophobicContact CD1-CD1 4.44Å; L29-F32 PolarHBondContact O-N 3.13Å; F32-K34 PolarHBondContact O-N 2.82Å; F32-K34 VanDerWaalsContact O-N 3.13Å; F32-K35 PolarHBondContact O-N 2.75Å; F32-K35 VanDerWaalsContact O-N 3.17Å; F32-F36 HydrophobicContact CD2-CB 4.09Å; F32-F36 HydrophobicContact CE1-CB 4.37Å; F32-F36 HydrophobicContact CE1-CG 4.47Å; F32-F36 HydrophobicContact CE2-CB 3.75Å; F32-F36 AromaticContact CE2-CD2 3.75Å; F32-F36 HydrophobicContact CE2-CD2 3.75Å; F32-F36 AromaticContact CE2-CG 3.88Å; F32-F36 HydrophobicContact CE2-CG 3.88Å; F32-F36 HydrophobicContact CZ-CB 3.91Å; F32-F36 HydrophobicContact CZ-CD1 4.37Å; F32-F36 AromaticContact CZ-CD2 3.87Å; F32-F36 HydrophobicContact CZ-CD2 3.87Å; F32-F36 AromaticContact CZ-CG 3.75Å; F32-F36 HydrophobicContact CZ-CG 3.75Å; F32-F36 WeakPolarHBondContact O-CB 3.34Å; F32-F36 PolarHBondContact O-N 2.89Å; F32-L57 HydrophobicContact CE2-CB 4.07Å; F32-F61 HydrophobicContact CE2-CD2 4.38Å; F32-F61 HydrophobicContact CE2-CE2 4.28Å; F32-F61 HydrophobicContact CZ-CD2 4.48Å; F32-F61 HydrophobicContact CZ-CE2 4.43Å; F32-C468 HydrophobicContact CD1-CB 4.42Å; F32-C468 HydrophobicContact CE1-CB 3.89Å; F32-C468 HydrophobicContact CZ-CB 4.48Å; F32-M472 HydrophobicContact CZ-CG 4.02Å; F32-M472 HydrophobicContact CZ-SD 4.41Å
33	K	94	Very high	83.9	Confident	85 Å²	85	77.3 Å²	77.3	37%	0.37	37%	0.374	S	S	.	.	H	α-helix	trans	-59	-26.7	178.9	-73.9	177.4	177.6	176.9	0	113.9	L29 H471	L29-K33 HydrophobicContact CD1-CD 4.48Å; L29-K33 HydrophobicContact CD1-CG 4.43Å; L29-K33 HydrophobicContact CG-CD 4.22Å; L29-K33 WeakPolarHBondContact O-CB 3.43Å; L29-K33 VanDerWaalsContact O-CG 3.26Å; L29-K33 WeakPolarHBondContact O-CG 3.48Å; L29-K33 PolarHBondContact O-N 2.64Å; K33-H471 HydrophobicContact CG-CB 4.11Å; K33-H471 PolarHBondContact O-CE1 3.13Å; K33-H471 PolarHBondContact O-NE2 2.94Å
34	K	94.3	Very high	84.8	Confident	186 Å²	186	72.1 Å²	72.1	81%	0.809	35%	0.348	S	S	*	.	H	α-helix	trans	-83.7	-37.3	178	-177.4	176.8	177.4	-178.9	0	112.8	S30 V31 F32	S30-K34 WeakPolarHBondContact O-CB 3.36Å; S30-K34 PolarHBondContact O-N 3.27Å; S30-K34 VanDerWaalsContact O-N 3.16Å; V31-K34 PolarHBondContact O-N 3.34Å; F32-K34 PolarHBondContact O-N 2.82Å; F32-K34 VanDerWaalsContact O-N 3.13Å
35	K	93.3	Very high	85.2	Confident	90 Å²	90	68.9 Å²	68.9	39%	0.391	33%	0.332	S	S	.	.	H	α-helix	trans	-92.9	-30.6	-174	-67.5	-172.5	177.7	-176.6	0	113.3	D25 V31 F32 H37 N56	D25-K35 IonicContact OD2-NZ 3.73Å; D25-K35 PolarHBondContact OD2-NZ 2.99Å; V31-K35 HydrophobicContact CG1-CD 3.89Å; V31-K35 HydrophobicContact CG1-CG 4.34Å; V31-K35 WeakPolarHBondContact O-CG 3.28Å; V31-K35 PolarHBondContact O-N 2.89Å; F32-K35 PolarHBondContact O-N 2.75Å; F32-K35 VanDerWaalsContact O-N 3.17Å; K35-H37 PolarHBondContact O-N 3.37Å; K35-N56 HydrophobicContact CB-CB 3.84Å; K35-N56 WeakPolarHBondContact O-CB 3.26Å; K35-N56 PolarHBondContact O-ND2 2.86Å
36	F	96.1	Very high	85.4	Confident	9 Å²	9	73.2 Å²	73.2	4%	0.039	35%	0.35	C	S	.	.			trans	-63.5	129.8	-177.5	177.9	-101.4	0	0	0	110.9	F32 V38 M54 I55 L57 H471 M472 T475	F32-F36 HydrophobicContact CD2-CB 4.09Å; F32-F36 HydrophobicContact CE1-CB 4.37Å; F32-F36 HydrophobicContact CE1-CG 4.47Å; F32-F36 HydrophobicContact CE2-CB 3.75Å; F32-F36 AromaticContact CE2-CD2 3.75Å; F32-F36 HydrophobicContact CE2-CD2 3.75Å; F32-F36 AromaticContact CE2-CG 3.88Å; F32-F36 HydrophobicContact CE2-CG 3.88Å; F32-F36 HydrophobicContact CZ-CB 3.91Å; F32-F36 HydrophobicContact CZ-CD1 4.37Å; F32-F36 AromaticContact CZ-CD2 3.87Å; F32-F36 HydrophobicContact CZ-CD2 3.87Å; F32-F36 AromaticContact CZ-CG 3.75Å; F32-F36 HydrophobicContact CZ-CG 3.75Å; F32-F36 WeakPolarHBondContact O-CB 3.34Å; F32-F36 PolarHBondContact O-N 2.89Å; F36-V38 HydrophobicContact CE1-CG2 3.73Å; F36-V38 HydrophobicContact CZ-CG2 3.63Å; F36-M54 HydrophobicContact CE2-CB 4.07Å; F36-M54 HydrophobicContact CE2-CG 4.39Å; F36-M54 HydrophobicContact CZ-CB 4.42Å; F36-M54 HydrophobicContact CZ-CG 4.26Å; F36-I55 WeakPolarHBondContact CA-O 3.07Å; F36-I55 WeakPolarHBondContact CD2-O 3.29Å; F36-L57 HydrophobicContact CD2-CB 3.96Å; F36-L57 HydrophobicContact CE2-CB 4.01Å; F36-L57 HydrophobicContact CE2-CD1 4.13Å; F36-L57 HydrophobicContact CE2-CD2 4.49Å; F36-L57 HydrophobicContact CE2-CG 4.45Å; F36-H471 AromaticContact CD1-CD2 3.7Å; F36-H471 AromaticContact CD1-NE2 3.81Å; F36-M472 HydrophobicContact CD1-CG 4.31Å; F36-M472 HydrophobicContact CE1-CB 4.07Å; F36-M472 HydrophobicContact CE1-CG 3.76Å; F36-M472 HydrophobicContact CE2-CG 4.24Å; F36-M472 HydrophobicContact CZ-CB 4.23Å; F36-M472 HydrophobicContact CZ-CG 3.71Å; F36-T475 HydrophobicContact CD1-CG2 4.04Å; F36-T475 HydrophobicContact CE1-CG2 3.94Å
37	H	94.1	Very high	85.9	Confident	69 Å²	69	66.5 Å²	66.5	32%	0.319	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	158.4	176.7	121.8	95	0	0	0	111.8	K35 E39 I55	K35-H37 PolarHBondContact O-N 3.37Å; H37-E39 VanDerWaalsContact CE1-CD 3.45Å; H37-E39 WeakPolarHBondContact CE1-CG 3.26Å; H37-E39 IonicContact CE1-OE1 2.69Å; H37-E39 PolarHBondContact CE1-OE1 3.1Å; H37-E39 VanDerWaalsContact NE2-CG 3.31Å; H37-E39 WeakPolarHBondContact NE2-CG 3.48Å; H37-E39 IonicContact NE2-OE1 3.96Å; H37-E39 PolarHBondContact NE2-OE1 3.31Å; H37-I55 PolarHBondContact N-O 3.4Å; H37-I55 WeakPolarHBondContact NE2-CD1 3.44Å; H37-I55 PolarHBondContact O-N 3Å
38	V	97.3	Very high	86.3	Confident	9 Å²	9	67.5 Å²	67.5	6%	0.055	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.9	-179.9	175.2	0	0	0	0	109.9	F36 I40 F52 D53 M54 T475 F476 A479	F36-V38 HydrophobicContact CE1-CG2 3.73Å; F36-V38 HydrophobicContact CZ-CG2 3.63Å; V38-I40 HydrophobicContact CG1-CD1 3.88Å; V38-F52 HydrophobicContact CG1-CD2 4.14Å; V38-D53 WeakPolarHBondContact CA-O 3.22Å; V38-M54 HydrophobicContact CG2-CG 4.42Å; V38-T475 HydrophobicContact CB-CG2 4.28Å; V38-T475 HydrophobicContact CG2-CG2 4.02Å; V38-F476 HydrophobicContact CG1-CD2 4.01Å; V38-A479 HydrophobicContact CB-CB 3.98Å; V38-A479 HydrophobicContact CG1-CB 3.89Å; V38-A479 WeakPolarHBondContact O-CB 3.38Å
39	E	94.9	Very high	86.7	Confident	82 Å²	82	66.2 Å²	66.2	38%	0.383	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.3	170.7	-59.9	-168.3	148.3	0	0	110.5	H37 I41 F52 D53 I55	H37-E39 VanDerWaalsContact CE1-CD 3.45Å; H37-E39 WeakPolarHBondContact CE1-CG 3.26Å; H37-E39 IonicContact CE1-OE1 2.69Å; H37-E39 PolarHBondContact CE1-OE1 3.1Å; H37-E39 VanDerWaalsContact NE2-CG 3.31Å; H37-E39 WeakPolarHBondContact NE2-CG 3.48Å; H37-E39 IonicContact NE2-OE1 3.96Å; H37-E39 PolarHBondContact NE2-OE1 3.31Å; E39-I41 HydrophobicContact CB-CD1 4.03Å; E39-F52 CarbonylContact O-C 3.46Å; E39-F52 WeakPolarHBondContact O-CA 3.31Å; E39-F52 VanDerWaalsContact O-CB 3.25Å; E39-F52 WeakPolarHBondContact O-CB 3.27Å; E39-D53 HydrophobicContact CB-CB 4.22Å; E39-D53 PolarHBondContact N-O 3.42Å; E39-D53 VanDerWaalsContact N-O 3.1Å; E39-D53 PolarHBondContact O-N 3.42Å; E39-I55 HydrophobicContact CG-CD1 4.37Å
40	I	94.1	Very high	87	Confident	27 Å²	27	64.5 Å²	64.5	14%	0.138	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	111.5	174.7	-50.1	-51.8	0	0	0	108	V38 H43 M50 F52 F476 A479 M480	V38-I40 HydrophobicContact CG1-CD1 3.88Å; I40-H43 HydrophobicContact CG2-CB 3.77Å; I40-M50 HydrophobicContact CD1-CE 3.62Å; I40-M50 HydrophobicContact CG2-CE 4.26Å; I40-F52 HydrophobicContact CD1-CB 3.89Å; I40-F476 HydrophobicContact CD1-CE2 4.44Å; I40-A479 HydrophobicContact CD1-CB 4.09Å; I40-A479 HydrophobicContact CG1-CB 4.02Å; I40-M480 HydrophobicContact CD1-CG 4.28Å; I40-M480 HydrophobicContact CD1-SD 3.95Å; I40-M480 HydrophobicContact CG1-SD 4.13Å; I40-M480 HydrophobicContact CG2-SD 4.45Å
41	I	89.6	Confident	87.2	Confident	75 Å²	75	61.9 Å²	61.9	39%	0.385	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-58.7	-175.4	-55	-56.2	0	0	0	110.1	E39 E51	E39-I41 HydrophobicContact CB-CD1 4.03Å; I41-E51 HydrophobicContact CB-CG 4.45Å; I41-E51 WeakPolarHBondContact CG2-OE1 3.42Å; I41-E51 PolarHBondContact N-O 3.29Å
42	R	77.6	Confident	87.5	Confident	124 Å²	124	59.8 Å²	59.8	47%	0.468	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.4	176.2	-163.7	174.3	84.1	-156	9.4	109.5	T49 M50 E51	R42-T49 PolarHBondContact NH2-OG1 3.4Å; R42-M50 CarbonylContact O-C 3.57Å; R42-M50 WeakPolarHBondContact O-CA 3.49Å; R42-E51 HydrophobicContact CB-CB 3.88Å; R42-E51 PolarHBondContact N-O 2.99Å; R42-E51 PolarHBondContact O-N 3.2Å
43	H	66.8	Low	87.7	Confident	10 Å²	10	59.7 Å²	59.7	5%	0.046	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	126.9	171.1	-176.2	-94.7	0	0	0	104.4	I40 M480 R487	I40-H43 HydrophobicContact CG2-CB 3.77Å; H43-M480 WeakPolarHBondContact NE2-CE 3.45Å; H43-R487 PolarHBondContact O-NH1 3.22Å; H43-R487 PolarHBondContact O-NH2 3.02Å
44	G	66.6	Low	87.9	Confident	24 Å²	24	56 Å²	56	25%	0.247	27%	0.268	C	S	.	.			trans	-106.4	143.7	157.3	0	0	0	0	0	105.3	E46 S47	G44-E46 PolarHBondContact O-N 3.12Å; G44-S47 PolarHBondContact O-N 3.33Å
45	E	63.3	Low	87.9	Confident	124 Å²	124	48.1 Å²	48.1	58%	0.579	23%	0.234	S	C	*	.	S	Bend	trans	-59.7	-30.4	169.7	-69.4	-169.3	160.8	0	0	110.7
46	E	68.1	Low	87.9	Confident	183 Å²	183	47.2 Å²	47.2	86%	0.855	23%	0.234	S	C	*	.	S	Bend	trans	-101.8	2.3	176	-60.6	179	173.4	0	0	113.7	G44	G44-E46 PolarHBondContact O-N 3.12Å
47	S	84.4	Confident	87.7	Confident	29 Å²	29	47.1 Å²	47.1	20%	0.203	23%	0.234	C	C	.	.			trans	-78.7	130.8	178	-172.5	0	0	0	0	109.7	G44 T49	G44-S47 PolarHBondContact O-N 3.33Å; S47-T49 PolarHBondContact O-N 3.18Å; S47-T49 PolarHBondContact OG-N 3.11Å; S47-T49 PolarHBondContact OG-O 3.44Å; S47-T49 VanDerWaalsContact OG-O 3.11Å; S47-T49 PolarHBondContact OG-OG1 3.16Å
48	D	91.3	Very high	87.6	Confident	69 Å²	69	46.2 Å²	46.2	37%	0.369	23%	0.231	S	C	.	.	S	Bend	trans	-55	-21.2	163.8	54.5	4.6	0	0	0	113.6	E311 T312 P320	D48-E311 CarbonylContact O-C 3.33Å; D48-E311 VanDerWaalsContact O-CA 3.24Å; D48-E311 WeakPolarHBondContact O-CA 3.32Å; D48-T312 PolarHBondContact O-N 3.06Å; D48-P320 VanDerWaalsContact O-CG 3.24Å; D48-P320 WeakPolarHBondContact O-CG 3.22Å
49	T	93.9	Very high	87.3	Confident	16 Å²	16	47.9 Å²	47.9	10%	0.098	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139.4	-168.2	45.9	0	0	0	0	112.3	R42 S47 V310 E311	R42-T49 PolarHBondContact NH2-OG1 3.4Å; S47-T49 PolarHBondContact O-N 3.18Å; S47-T49 PolarHBondContact OG-N 3.11Å; S47-T49 PolarHBondContact OG-O 3.44Å; S47-T49 VanDerWaalsContact OG-O 3.11Å; S47-T49 PolarHBondContact OG-OG1 3.16Å; T49-V310 CarbonylContact C-O 3.51Å; T49-V310 WeakPolarHBondContact CA-O 3.47Å; T49-E311 HydrophobicContact CG2-CB 3.84Å; T49-E311 HydrophobicContact CG2-CG 3.65Å
50	M	94.7	Very high	87.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.9	175.8	179.3	-178	177.1	0	0	109.9	I40 R42 F52 T309 V310 P320 F476 M480	I40-M50 HydrophobicContact CD1-CE 3.62Å; I40-M50 HydrophobicContact CG2-CE 4.26Å; R42-M50 CarbonylContact O-C 3.57Å; R42-M50 WeakPolarHBondContact O-CA 3.49Å; M50-F52 HydrophobicContact CE-CB 3.99Å; M50-F52 HydrophobicContact CE-CD1 3.82Å; M50-F52 HydrophobicContact CE-CG 4.08Å; M50-F52 HydrophobicContact CG-CD1 4.13Å; M50-F52 HydrophobicContact SD-CD1 4.21Å; M50-T309 WeakPolarHBondContact O-CA 3.32Å; M50-V310 PolarHBondContact N-O 3.39Å; M50-V310 PolarHBondContact O-N 3.47Å; M50-P320 HydrophobicContact CB-CB 3.52Å; M50-P320 HydrophobicContact CB-CG 4.04Å; M50-P320 HydrophobicContact SD-CB 4.35Å; M50-F476 HydrophobicContact CE-CE2 3.55Å; M50-F476 HydrophobicContact CE-CZ 3.5Å; M50-F476 HydrophobicContact SD-CE2 4.49Å; M50-F476 HydrophobicContact SD-CZ 4.06Å; M50-M480 HydrophobicContact CE-SD 3.45Å; M50-M480 WeakPolarHBondContact CE-SD 3.48Å; M50-M480 HydrophobicContact SD-SD 4.37Å
51	E	95.1	Very high	87.3	Confident	39 Å²	39	42.9 Å²	42.9	18%	0.182	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.9	172	-169.1	-179.8	96.8	0	0	109.1	I41 R42 R278 I307 F308	I41-E51 HydrophobicContact CB-CG 4.45Å; I41-E51 WeakPolarHBondContact CG2-OE1 3.42Å; I41-E51 PolarHBondContact N-O 3.29Å; R42-E51 HydrophobicContact CB-CB 3.88Å; R42-E51 PolarHBondContact N-O 2.99Å; R42-E51 PolarHBondContact O-N 3.2Å; E51-R278 VanDerWaalsContact CD-NH2 3.26Å; E51-R278 IonicContact OE1-CZ 3.22Å; E51-R278 VanDerWaalsContact OE1-CZ 3.3Å; E51-R278 IonicContact OE1-NE 2.66Å; E51-R278 PolarHBondContact OE1-NE 3.46Å; E51-R278 VanDerWaalsContact OE1-NE 3.12Å; E51-R278 IonicContact OE1-NH2 3.3Å; E51-R278 PolarHBondContact OE1-NH2 2.81Å; E51-I307 HydrophobicContact CG-CG2 4.1Å; E51-F308 VanDerWaalsContact CA-O 3.27Å; E51-F308 WeakPolarHBondContact CA-O 3.45Å
52	F	96.7	Very high	87.6	Confident	1 Å²	1	39.3 Å²	39.3	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	151.7	177.7	68	-83.7	0	0	0	110.8	V38 E39 I40 M50 M54 F308 V310 V324 F476	V38-F52 HydrophobicContact CG1-CD2 4.14Å; E39-F52 CarbonylContact O-C 3.46Å; E39-F52 WeakPolarHBondContact O-CA 3.31Å; E39-F52 VanDerWaalsContact O-CB 3.25Å; E39-F52 WeakPolarHBondContact O-CB 3.27Å; I40-F52 HydrophobicContact CD1-CB 3.89Å; M50-F52 HydrophobicContact CE-CB 3.99Å; M50-F52 HydrophobicContact CE-CD1 3.82Å; M50-F52 HydrophobicContact CE-CG 4.08Å; M50-F52 HydrophobicContact CG-CD1 4.13Å; M50-F52 HydrophobicContact SD-CD1 4.21Å; F52-M54 HydrophobicContact CD2-CG 4.15Å; F52-M54 HydrophobicContact CE2-CE 4.25Å; F52-M54 HydrophobicContact CE2-CG 3.81Å; F52-M54 HydrophobicContact CE2-SD 4.07Å; F52-F308 HydrophobicContact CD1-CB 4.17Å; F52-F308 HydrophobicContact CD2-CB 4.25Å; F52-F308 HydrophobicContact CE1-CB 3.82Å; F52-F308 AromaticContact CE1-CD1 3.91Å; F52-F308 HydrophobicContact CE1-CD1 3.91Å; F52-F308 HydrophobicContact CE1-CG 4.14Å; F52-F308 HydrophobicContact CE2-CB 3.91Å; F52-F308 HydrophobicContact CE2-CG 4.32Å; F52-F308 HydrophobicContact CG-CB 4.38Å; F52-F308 HydrophobicContact CZ-CB 3.68Å; F52-F308 AromaticContact CZ-CD1 3.83Å; F52-F308 HydrophobicContact CZ-CD1 3.83Å; F52-F308 AromaticContact CZ-CG 3.8Å; F52-F308 HydrophobicContact CZ-CG 3.8Å; F52-F308 PolarHBondContact N-O 2.96Å; F52-F308 WeakPolarHBondContact O-CA 3.25Å; F52-F308 VanDerWaalsContact O-CB 3.3Å; F52-F308 WeakPolarHBondContact O-CB 3.44Å; F52-F308 PolarHBondContact O-N 3.41Å; F52-V310 HydrophobicContact CE1-CG2 3.99Å; F52-V324 HydrophobicContact CE1-CG2 3.76Å; F52-V324 HydrophobicContact CZ-CG1 3.97Å; F52-V324 HydrophobicContact CZ-CG2 3.95Å; F52-F476 HydrophobicContact CD1-CE2 4.21Å; F52-F476 HydrophobicContact CD2-CD2 4.24Å; F52-F476 HydrophobicContact CD2-CE2 4.01Å; F52-F476 HydrophobicContact CE1-CE2 4.23Å; F52-F476 HydrophobicContact CE2-CD2 4.2Å; F52-F476 HydrophobicContact CE2-CE2 4.03Å; F52-F476 HydrophobicContact CG-CE2 4.1Å; F52-F476 HydrophobicContact CZ-CE2 4.14Å
53	D	96.7	Very high	88.4	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	140	-178.8	-67.6	15.2	0	0	0	109.5	V38 E39 I55 R278 H305 C306	V38-D53 WeakPolarHBondContact CA-O 3.22Å; E39-D53 HydrophobicContact CB-CB 4.22Å; E39-D53 PolarHBondContact N-O 3.42Å; E39-D53 VanDerWaalsContact N-O 3.1Å; E39-D53 PolarHBondContact O-N 3.42Å; D53-I55 HydrophobicContact CB-CD1 4.4Å; D53-I55 HydrophobicContact CB-CG1 4.17Å; D53-R278 VanDerWaalsContact CG-NH1 3.28Å; D53-R278 IonicContact OD1-CZ 3.15Å; D53-R278 IonicContact OD1-NH1 3.85Å; D53-R278 PolarHBondContact OD1-NH1 2.73Å; D53-R278 IonicContact OD1-NH2 3.34Å; D53-R278 PolarHBondContact OD1-NH2 2.82Å; D53-R278 IonicContact OD2-CZ 2.64Å; D53-R278 IonicContact OD2-NH1 2.73Å; D53-R278 PolarHBondContact OD2-NH1 3.28Å; D53-R278 IonicContact OD2-NH2 3.71Å; D53-H305 IonicContact OD2-CD2 2.64Å; D53-H305 IonicContact OD2-CE1 3.42Å; D53-H305 IonicContact OD2-NE2 3.83Å; D53-H305 PolarHBondContact OD2-NE2 2.87Å; D53-C306 CarbonylContact C-O 3.55Å; D53-C306 WeakPolarHBondContact CA-O 3.36Å
54	M	97	Very high	89.9	Confident	6 Å²	6	34.4 Å²	34.4	3%	0.03	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119	165.7	-69.6	-174.9	-71.6	0	0	107.3	F36 V38 F52 L57 A62 H305 C306 F308 M472	F36-M54 HydrophobicContact CE2-CB 4.07Å; F36-M54 HydrophobicContact CE2-CG 4.39Å; F36-M54 HydrophobicContact CZ-CB 4.42Å; F36-M54 HydrophobicContact CZ-CG 4.26Å; V38-M54 HydrophobicContact CG2-CG 4.42Å; F52-M54 HydrophobicContact CD2-CG 4.15Å; F52-M54 HydrophobicContact CE2-CE 4.25Å; F52-M54 HydrophobicContact CE2-CG 3.81Å; F52-M54 HydrophobicContact CE2-SD 4.07Å; M54-L57 VanDerWaalsContact C-CD2 3.41Å; M54-L57 HydrophobicContact CB-CD1 3.76Å; M54-L57 HydrophobicContact CB-CD2 3.55Å; M54-L57 HydrophobicContact CB-CG 4.31Å; M54-L57 HydrophobicContact CE-CD1 4.19Å; M54-L57 HydrophobicContact CG-CD1 4.41Å; M54-L57 WeakPolarHBondContact O-CD2 3.46Å; M54-L57 HydrophobicContact SD-CD1 3.88Å; M54-A62 HydrophobicContact CE-CB 3.94Å; M54-H305 WeakPolarHBondContact O-CA 3.38Å; M54-C306 PolarHBondContact N-O 3.33Å; M54-C306 PolarHBondContact O-N 2.87Å; M54-F308 HydrophobicContact CE-CB 4.4Å; M54-F308 HydrophobicContact CE-CD2 3.3Å; M54-F308 HydrophobicContact CE-CE2 3.79Å; M54-F308 HydrophobicContact CE-CG 4.08Å; M54-M472 HydrophobicContact SD-CE 3.87Å
55	I	95.2	Very high	91.4	Very high	22 Å²	22	33.3 Å²	33.3	11%	0.113	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.7	-172.8	-45.3	-170.6	0	0	0	109.4	F36 H37 E39 D53 S304	F36-I55 WeakPolarHBondContact CA-O 3.07Å; F36-I55 WeakPolarHBondContact CD2-O 3.29Å; H37-I55 PolarHBondContact N-O 3.4Å; H37-I55 WeakPolarHBondContact NE2-CD1 3.44Å; H37-I55 PolarHBondContact O-N 3Å; E39-I55 HydrophobicContact CG-CD1 4.37Å; D53-I55 HydrophobicContact CB-CD1 4.4Å; D53-I55 HydrophobicContact CB-CG1 4.17Å; I55-S304 CarbonylContact C-O 3.5Å
56	N	93.2	Very high	93.1	Very high	70 Å²	70	31 Å²	31	37%	0.374	16%	0.159	S	C	.	.	S	Bend	trans	61.7	43.7	-176.5	-57.8	-57.8	0	0	0	113.9	K35 S304	K35-N56 HydrophobicContact CB-CB 3.84Å; K35-N56 WeakPolarHBondContact O-CB 3.26Å; K35-N56 PolarHBondContact O-ND2 2.86Å; N56-S304 PolarHBondContact N-O 3.21Å
57	L	92.2	Very high	94.5	Very high	8 Å²	8	25 Å²	25	4%	0.042	13%	0.129	C	C	.	.			trans	-124.1	162.4	171.7	79.6	170.7	0	0	0	112.1	F32 F36 M54 F61 A62 S304 C306 M472	F32-L57 HydrophobicContact CE2-CB 4.07Å; F36-L57 HydrophobicContact CD2-CB 3.96Å; F36-L57 HydrophobicContact CE2-CB 4.01Å; F36-L57 HydrophobicContact CE2-CD1 4.13Å; F36-L57 HydrophobicContact CE2-CD2 4.49Å; F36-L57 HydrophobicContact CE2-CG 4.45Å; M54-L57 VanDerWaalsContact C-CD2 3.41Å; M54-L57 HydrophobicContact CB-CD1 3.76Å; M54-L57 HydrophobicContact CB-CD2 3.55Å; M54-L57 HydrophobicContact CB-CG 4.31Å; M54-L57 HydrophobicContact CE-CD1 4.19Å; M54-L57 HydrophobicContact CG-CD1 4.41Å; M54-L57 WeakPolarHBondContact O-CD2 3.46Å; M54-L57 HydrophobicContact SD-CD1 3.88Å; L57-F61 HydrophobicContact CB-CD2 4.36Å; L57-F61 HydrophobicContact CD1-CB 4.13Å; L57-A62 HydrophobicContact CD1-CB 4.22Å; L57-S304 PolarHBondContact N-O 2.86Å; L57-S304 VanDerWaalsContact O-CA 3.28Å; L57-S304 WeakPolarHBondContact O-CA 3.46Å; L57-C306 HydrophobicContact CD2-CB 4.35Å; L57-M472 HydrophobicContact CD1-CE 4.3Å
58	D	90.8	Very high	95.1	Very high	49 Å²	49	23.7 Å²	23.7	26%	0.262	12%	0.119	S	C	.	.			trans	-81.7	148.5	168.7	-175.7	81.2	0	0	0	111.3	S60 F61 Y420	D58-S60 PolarHBondContact O-N 2.75Å; D58-S60 VanDerWaalsContact O-N 3.16Å; D58-S60 WeakPolarHBondContact OD2-CB 3.26Å; D58-S60 PolarHBondContact OD2-N 2.87Å; D58-S60 PolarHBondContact OD2-OG 2.84Å; D58-F61 PolarHBondContact O-N 2.98Å; D58-F61 VanDerWaalsContact O-N 3.13Å; D58-Y420 HydrophobicContact CB-CD2 3.96Å; D58-Y420 HydrophobicContact CB-CE1 4.02Å; D58-Y420 HydrophobicContact CB-CE2 3.37Å; D58-Y420 HydrophobicContact CB-CG 4.48Å; D58-Y420 VanDerWaalsContact CG-CD2 3.46Å; D58-Y420 VanDerWaalsContact OD1-CE2 3.32Å; D58-Y420 WeakPolarHBondContact OD1-CE2 3.25Å; D58-Y420 WeakPolarHBondContact OD2-CD2 3.47Å
59	C	90.3	Very high	95.5	Very high	45 Å²	45	20.4 Å²	20.4	30%	0.304	10%	0.101	S	C	.	.	H	α-helix	trans	-63	-22.7	-178	69.6	0	0	0	0	113.3	F61 A62 N63 F236	C59-F61 VanDerWaalsContact C-N 3.3Å; C59-F61 PolarHBondContact O-N 2.73Å; C59-A62 PolarHBondContact O-N 3.07Å; C59-N63 WeakPolarHBondContact O-CB 3.32Å; C59-N63 PolarHBondContact O-N 3.22Å; C59-F236 HydrophobicContact CB-CE1 3.69Å; C59-F236 HydrophobicContact CB-CZ 3.64Å
60	S	92.7	Very high	95.6	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-58.9	-39.8	174.1	59.7	0	0	0	0	112.4	D58 A64	D58-S60 PolarHBondContact O-N 2.75Å; D58-S60 VanDerWaalsContact O-N 3.16Å; D58-S60 WeakPolarHBondContact OD2-CB 3.26Å; D58-S60 PolarHBondContact OD2-N 2.87Å; D58-S60 PolarHBondContact OD2-OG 2.84Å; S60-A64 VanDerWaalsContact O-CB 3.31Å; S60-A64 WeakPolarHBondContact O-CB 3.42Å; S60-A64 PolarHBondContact O-N 3.26Å
61	F	96.3	Very high	95.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-69.9	-43.4	177.5	-59.8	-28.5	0	0	0	111.6	F32 L57 D58 C59 A64 V65 A417 Y420 L465 C468 F469 M472	F32-F61 HydrophobicContact CE2-CD2 4.38Å; F32-F61 HydrophobicContact CE2-CE2 4.28Å; F32-F61 HydrophobicContact CZ-CD2 4.48Å; F32-F61 HydrophobicContact CZ-CE2 4.43Å; L57-F61 HydrophobicContact CB-CD2 4.36Å; L57-F61 HydrophobicContact CD1-CB 4.13Å; D58-F61 PolarHBondContact O-N 2.98Å; D58-F61 VanDerWaalsContact O-N 3.13Å; C59-F61 VanDerWaalsContact C-N 3.3Å; C59-F61 PolarHBondContact O-N 2.73Å; F61-A64 PolarHBondContact O-N 3.49Å; F61-V65 WeakPolarHBondContact O-CG2 3.28Å; F61-V65 PolarHBondContact O-N 3.33Å; F61-A417 HydrophobicContact CD1-CB 4.21Å; F61-Y420 AromaticContact CE1-CD1 3.78Å; F61-Y420 HydrophobicContact CE1-CD1 3.78Å; F61-Y420 HydrophobicContact CE1-CE1 4.25Å; F61-Y420 HydrophobicContact CE2-CD1 4.2Å; F61-Y420 AromaticContact CE2-CE1 3.83Å; F61-Y420 HydrophobicContact CE2-CE1 3.83Å; F61-Y420 AromaticContact CZ-CD1 3.45Å; F61-Y420 HydrophobicContact CZ-CD1 3.45Å; F61-Y420 VanDerWaalsContact CZ-CD1 3.45Å; F61-Y420 AromaticContact CZ-CE1 3.48Å; F61-Y420 HydrophobicContact CZ-CE1 3.48Å; F61-Y420 VanDerWaalsContact CZ-CE1 3.48Å; F61-L465 HydrophobicContact CD1-CD1 4.22Å; F61-L465 HydrophobicContact CE1-CD1 3.83Å; F61-C468 HydrophobicContact CE2-CB 4.39Å; F61-C468 HydrophobicContact CZ-CB 4.22Å; F61-F469 AromaticContact CD1-CE2 3.95Å; F61-F469 HydrophobicContact CD1-CE2 3.95Å; F61-F469 HydrophobicContact CG-CE2 4.46Å; F61-M472 HydrophobicContact CB-CE 4.27Å; F61-M472 HydrophobicContact CB-SD 4.22Å
62	A	96	Very high	95.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.3	-45.1	175	0	0	0	0	0	111.5	M54 L57 C59 A64 V65 R66 Y234 C306 F308	M54-A62 HydrophobicContact CE-CB 3.94Å; L57-A62 HydrophobicContact CD1-CB 4.22Å; C59-A62 PolarHBondContact O-N 3.07Å; A62-A64 PolarHBondContact O-N 3.08Å; A62-V65 PolarHBondContact O-N 3.26Å; A62-R66 PolarHBondContact O-N 3.34Å; A62-Y234 HydrophobicContact CB-CD1 4.36Å; A62-Y234 HydrophobicContact CB-CD2 4.43Å; A62-Y234 HydrophobicContact CB-CE1 4.33Å; A62-Y234 HydrophobicContact CB-CE2 4.4Å; A62-Y234 HydrophobicContact CB-CG 4.42Å; A62-C306 HydrophobicContact CB-CB 4.06Å; A62-F308 HydrophobicContact CB-CE2 4.46Å; A62-F308 WeakPolarHBondContact O-CE2 3.48Å
63	N	96	Very high	95.8	Very high	30 Å²	30	21.5 Å²	21.5	16%	0.16	11%	0.111	C	C	.	.	H	α-helix	trans	-65.7	-37.3	177.5	-171.5	42.7	0	0	0	112.4	C59 R66 R67 Y234	C59-N63 WeakPolarHBondContact O-CB 3.32Å; C59-N63 PolarHBondContact O-N 3.22Å; N63-R66 WeakPolarHBondContact O-CB 3.48Å; N63-R66 PolarHBondContact O-N 3.31Å; N63-R66 PolarHBondContact OD1-NE 2.84Å; N63-R66 PolarHBondContact OD1-NH2 3.37Å; N63-R67 WeakPolarHBondContact O-CG 3.47Å; N63-R67 PolarHBondContact O-N 3.03Å; N63-Y234 HydrophobicContact CB-CE1 4.14Å
64	A	98.1	Very high	95.8	Very high	2 Å²	2	22 Å²	22	2%	0.017	12%	0.115	C	C	.	.	H	α-helix	trans	-62	-47.1	174	0	0	0	0	0	111.5	S60 F61 A62 R66 R67 I68 M331 A417 F469	S60-A64 VanDerWaalsContact O-CB 3.31Å; S60-A64 WeakPolarHBondContact O-CB 3.42Å; S60-A64 PolarHBondContact O-N 3.26Å; F61-A64 PolarHBondContact O-N 3.49Å; A62-A64 PolarHBondContact O-N 3.08Å; A64-R66 VanDerWaalsContact C-N 3.29Å; A64-R66 PolarHBondContact O-N 3.1Å; A64-R67 PolarHBondContact O-N 3.13Å; A64-I68 WeakPolarHBondContact O-CB 3.4Å; A64-I68 VanDerWaalsContact O-CG1 3.27Å; A64-I68 WeakPolarHBondContact O-CG1 3.35Å; A64-I68 PolarHBondContact O-N 2.83Å; A64-M331 HydrophobicContact CB-CE 3.76Å; A64-A417 HydrophobicContact CB-CB 4.15Å; A64-F469 HydrophobicContact CB-CZ 3.91Å
65	V	98.2	Very high	95.8	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-58	-43.4	174.5	174.3	0	0	0	0	111.1	F61 A62 I68 L69 F308 L328 F469 M472	F61-V65 WeakPolarHBondContact O-CG2 3.28Å; F61-V65 PolarHBondContact O-N 3.33Å; A62-V65 PolarHBondContact O-N 3.26Å; V65-I68 PolarHBondContact O-N 3.35Å; V65-L69 HydrophobicContact CG1-CD1 3.96Å; V65-L69 HydrophobicContact CG1-CG 4.44Å; V65-L69 WeakPolarHBondContact O-CB 3.47Å; V65-L69 WeakPolarHBondContact O-CG 3.48Å; V65-L69 PolarHBondContact O-N 3.1Å; V65-F308 HydrophobicContact CB-CZ 4.47Å; V65-F308 HydrophobicContact CG1-CZ 4.13Å; V65-L328 HydrophobicContact CG2-CD2 3.73Å; V65-F469 HydrophobicContact CG2-CE1 3.87Å; V65-F469 HydrophobicContact CG2-CZ 4.38Å; V65-M472 HydrophobicContact CG2-CE 4.01Å
66	R	98.1	Very high	95.9	Very high	74 Å²	74	21 Å²	21	28%	0.279	11%	0.11	S	C	.	.	H	α-helix	trans	-59.4	-49.8	177.4	-168.4	-162.7	62.8	75.9	-0.4	112.2	A62 N63 A64 L69 V70 A232 Y234 F308	A62-R66 PolarHBondContact O-N 3.34Å; N63-R66 WeakPolarHBondContact O-CB 3.48Å; N63-R66 PolarHBondContact O-N 3.31Å; N63-R66 PolarHBondContact OD1-NE 2.84Å; N63-R66 PolarHBondContact OD1-NH2 3.37Å; A64-R66 VanDerWaalsContact C-N 3.29Å; A64-R66 PolarHBondContact O-N 3.1Å; R66-L69 PolarHBondContact O-N 3.41Å; R66-V70 WeakPolarHBondContact O-CG2 3.33Å; R66-V70 PolarHBondContact O-N 3.07Å; R66-A232 WeakPolarHBondContact CG-O 3.39Å; R66-Y234 HydrophobicContact CB-CD1 4.3Å; R66-Y234 HydrophobicContact CB-CE1 4.42Å; R66-Y234 HydrophobicContact CG-CD1 4.48Å; R66-F308 HydrophobicContact CB-CE2 4.23Å; R66-F308 HydrophobicContact CB-CZ 3.68Å; R66-F308 HydrophobicContact CG-CZ 4.19Å
67	R	97.4	Very high	96.1	Very high	59 Å²	59	17.7 Å²	17.7	22%	0.223	9%	0.092	C	C	.	.	H	α-helix	trans	-62.5	-48	-179.9	-70.6	177.5	71.5	101.7	6.6	110.6	N63 A64 L69 V70 S71 D411 T413	N63-R67 WeakPolarHBondContact O-CG 3.47Å; N63-R67 PolarHBondContact O-N 3.03Å; A64-R67 PolarHBondContact O-N 3.13Å; R67-L69 PolarHBondContact O-N 3.31Å; R67-V70 PolarHBondContact O-N 3.19Å; R67-V70 VanDerWaalsContact O-N 3.12Å; R67-S71 PolarHBondContact O-N 3.26Å; R67-S71 PolarHBondContact O-OG 3.17Å; R67-D411 IonicContact CZ-OD2 3.65Å; R67-D411 IonicContact NE-OD2 3.77Å; R67-D411 IonicContact NH2-OD1 3.87Å; R67-D411 IonicContact NH2-OD2 3.43Å; R67-D411 PolarHBondContact NH2-OD2 2.84Å; R67-T413 HydrophobicContact CB-CG2 3.89Å; R67-T413 WeakPolarHBondContact CB-OG1 3.48Å; R67-T413 PolarHBondContact NE-OG1 3.15Å
68	I	98.4	Very high	96.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.3	-44.9	179.2	-67.1	173.1	0	0	0	111.6	A64 V65 V70 S71 E72 V73 A327 V330 M331 T413	A64-I68 WeakPolarHBondContact O-CB 3.4Å; A64-I68 VanDerWaalsContact O-CG1 3.27Å; A64-I68 WeakPolarHBondContact O-CG1 3.35Å; A64-I68 PolarHBondContact O-N 2.83Å; V65-I68 PolarHBondContact O-N 3.35Å; I68-V70 PolarHBondContact O-N 3.25Å; I68-S71 PolarHBondContact O-N 2.9Å; I68-E72 HydrophobicContact CB-CB 4.48Å; I68-E72 HydrophobicContact CG2-CB 4.03Å; I68-E72 CarbonylContact O-C 3.57Å; I68-E72 PolarHBondContact O-N 3.15Å; I68-V73 HydrophobicContact CG2-CG2 4.17Å; I68-V73 PolarHBondContact O-N 3.05Å; I68-A327 HydrophobicContact CB-CB 4.14Å; I68-A327 VanDerWaalsContact CG2-CA 3.43Å; I68-A327 HydrophobicContact CG2-CB 3.58Å; I68-V330 HydrophobicContact CD1-CG1 4.46Å; I68-V330 HydrophobicContact CG2-CB 3.77Å; I68-V330 HydrophobicContact CG2-CG1 3.85Å; I68-V330 HydrophobicContact CG2-CG2 4.27Å; I68-M331 HydrophobicContact CD1-CB 3.75Å; I68-M331 HydrophobicContact CD1-CE 3.87Å; I68-T413 HydrophobicContact CD1-CG2 4.07Å; I68-T413 HydrophobicContact CG1-CG2 3.48Å; I68-T413 VanDerWaalsContact CG1-CG2 3.48Å
69	L	98.2	Very high	96.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-53.4	-41.3	177.2	-82.7	166.7	0	0	0	112.6	V65 R66 R67 V73 V229 A232 F308 V310 L323 V324 A327	V65-L69 HydrophobicContact CG1-CD1 3.96Å; V65-L69 HydrophobicContact CG1-CG 4.44Å; V65-L69 WeakPolarHBondContact O-CB 3.47Å; V65-L69 WeakPolarHBondContact O-CG 3.48Å; V65-L69 PolarHBondContact O-N 3.1Å; R66-L69 PolarHBondContact O-N 3.41Å; R67-L69 PolarHBondContact O-N 3.31Å; L69-V73 HydrophobicContact CD2-CG2 4.38Å; L69-V229 HydrophobicContact CB-CG1 4.38Å; L69-V229 HydrophobicContact CD2-CG1 4.27Å; L69-V229 WeakPolarHBondContact O-CG2 3.5Å; L69-A232 HydrophobicContact CB-CB 4.01Å; L69-A232 HydrophobicContact CD1-CB 4.13Å; L69-F308 HydrophobicContact CD1-CE1 3.66Å; L69-F308 HydrophobicContact CD1-CZ 4.16Å; L69-V310 HydrophobicContact CD1-CG1 4.48Å; L69-V310 HydrophobicContact CD1-CG2 3.79Å; L69-V310 HydrophobicContact CD2-CG1 4.44Å; L69-L323 HydrophobicContact CD2-CB 3.76Å; L69-V324 HydrophobicContact CD1-CG2 4.44Å; L69-V324 HydrophobicContact CD2-CG2 4.44Å; L69-A327 HydrophobicContact CD2-CB 3.92Å; L69-A327 HydrophobicContact CG-CB 3.81Å
70	V	97.3	Very high	96.9	Very high	55 Å²	55	22.9 Å²	22.9	33%	0.333	11%	0.105	S	C	.	.	H	α-helix	trans	-79.9	-45.1	-177.5	177.6	0	0	0	0	111.8	R66 R67 I68 S227 V229 A232	R66-V70 WeakPolarHBondContact O-CG2 3.33Å; R66-V70 PolarHBondContact O-N 3.07Å; R67-V70 PolarHBondContact O-N 3.19Å; R67-V70 VanDerWaalsContact O-N 3.12Å; I68-V70 PolarHBondContact O-N 3.25Å; V70-S227 PolarHBondContact O-OG 3.07Å; V70-V229 HydrophobicContact CB-CG2 4.39Å; V70-V229 HydrophobicContact CG2-CG2 3.94Å; V70-A232 HydrophobicContact CG2-CB 4Å
71	S	95.8	Very high	97.2	Very high	19 Å²	19	23.9 Å²	23.9	13%	0.133	11%	0.111	C	C	.	.	H	α-helix	trans	-110.5	-19.7	-164.6	62.9	0	0	0	0	115.4	R67 I68 I219 G220 R221	R67-S71 PolarHBondContact O-N 3.26Å; R67-S71 PolarHBondContact O-OG 3.17Å; I68-S71 PolarHBondContact O-N 2.9Å; S71-I219 WeakPolarHBondContact O-CB 3.41Å; S71-G220 CarbonylContact O-C 3.35Å; S71-G220 PolarHBondContact O-N 2.91Å; S71-G220 VanDerWaalsContact O-N 3.13Å; S71-R221 WeakPolarHBondContact O-CB 3.3Å; S71-R221 PolarHBondContact O-N 3.02Å
72	E	97.1	Very high	97.3	Very high	5 Å²	5	25 Å²	25	2%	0.023	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.4	-13	-168.9	-64.4	-175.7	-154	0	0	115	I68 P74 R221 V330 K334	I68-E72 HydrophobicContact CB-CB 4.48Å; I68-E72 HydrophobicContact CG2-CB 4.03Å; I68-E72 CarbonylContact O-C 3.57Å; I68-E72 PolarHBondContact O-N 3.15Å; E72-P74 VanDerWaalsContact O-CD 3.27Å; E72-P74 WeakPolarHBondContact O-CD 3.4Å; E72-R221 IonicContact OE1-NH1 3Å; E72-V330 HydrophobicContact CB-CG1 4.1Å; E72-V330 VanDerWaalsContact OE2-CG1 3.32Å; E72-V330 WeakPolarHBondContact OE2-CG1 3.05Å; E72-K334 IonicContact OE1-NZ 3.3Å; E72-K334 PolarHBondContact OE1-NZ 2.81Å; E72-K334 WeakPolarHBondContact OE2-CE 3.33Å; E72-K334 IonicContact OE2-NZ 2.64Å; E72-K334 PolarHBondContact OE2-NZ 3.4Å
73	V	97.5	Very high	97.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-66.5	121.1	168.8	177.4	0	0	0	0	107.9	I68 L69 P228 R318 L323 C326 A327	I68-V73 HydrophobicContact CG2-CG2 4.17Å; I68-V73 PolarHBondContact O-N 3.05Å; L69-V73 HydrophobicContact CD2-CG2 4.38Å; V73-P228 HydrophobicContact CB-CG 3.8Å; V73-P228 HydrophobicContact CG1-CG 3.61Å; V73-R318 VanDerWaalsContact CG1-NH2 3.33Å; V73-L323 HydrophobicContact CG1-CD2 4.09Å; V73-C326 HydrophobicContact CG1-CB 4.07Å; V73-C326 HydrophobicContact CG2-CB 4.46Å; V73-A327 HydrophobicContact CG2-CB 3.8Å
74	P	97	Very high	97.4	Very high	13 Å²	13	29 Å²	29	8%	0.084	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	150.6	-176.2	-21	33.5	0	0	0	111.7	E72 P108 F113 K217 G218 I219 R318	E72-P74 VanDerWaalsContact O-CD 3.27Å; E72-P74 WeakPolarHBondContact O-CD 3.4Å; P74-P108 HydrophobicContact CB-CB 4.37Å; P74-P108 HydrophobicContact CB-CG 4.37Å; P74-P108 WeakPolarHBondContact O-CG 3.3Å; P74-F113 HydrophobicContact CB-CE1 4.34Å; P74-F113 HydrophobicContact CB-CZ 3.81Å; P74-F113 HydrophobicContact CG-CE2 4.36Å; P74-F113 HydrophobicContact CG-CZ 3.71Å; P74-K217 HydrophobicContact CB-CG 4.26Å; P74-G218 CarbonylContact C-O 3.4Å; P74-G218 VanDerWaalsContact CA-O 3.28Å; P74-G218 WeakPolarHBondContact CA-O 3.37Å; P74-I219 HydrophobicContact CB-CG2 4.41Å; P74-I219 HydrophobicContact CG-CG2 4.37Å; P74-R318 PolarHBondContact O-NH1 3.17Å; P74-R318 PolarHBondContact O-NH2 3.2Å
75	S	96.7	Very high	97.4	Very high	4 Å²	4	32.4 Å²	32.4	3%	0.028	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	164.7	170.9	-156.4	0	0	0	0	111.1	K217 G218 F226 R318	S75-K217 WeakPolarHBondContact O-CA 3.38Å; S75-G218 PolarHBondContact N-O 3.18Å; S75-G218 PolarHBondContact O-N 2.9Å; S75-F226 WeakPolarHBondContact CB-O 3.32Å; S75-R318 PolarHBondContact OG-NH1 2.84Å
76	L	96.6	Very high	97.3	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.016	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	139.2	170.6	-79.4	131.6	0	0	0	110	L104 V106 P108 F111 V216	L76-L104 HydrophobicContact CB-CD1 4.37Å; L76-V106 HydrophobicContact CD1-CB 3.83Å; L76-V106 HydrophobicContact CD1-CG1 3.56Å; L76-P108 HydrophobicContact CD1-CB 4.19Å; L76-F111 HydrophobicContact CD1-CD2 3.59Å; L76-F111 HydrophobicContact CD1-CE2 3.92Å; L76-F111 HydrophobicContact CD1-CG 4.34Å; L76-F111 HydrophobicContact CD2-CD1 4.46Å; L76-F111 HydrophobicContact CD2-CD2 4.08Å; L76-F111 HydrophobicContact CD2-CE2 4.38Å; L76-F111 HydrophobicContact CD2-CG 4.11Å; L76-F111 HydrophobicContact CG-CD2 4.41Å; L76-V216 WeakPolarHBondContact CA-O 3.43Å
77	A	97.4	Very high	97.3	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.008	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	155.9	170.3	0	0	0	0	0	109.9	E79 A215 V216 K225 F226	A77-E79 PolarHBondContact O-N 3.09Å; A77-A215 WeakPolarHBondContact O-CA 2.94Å; A77-A215 WeakPolarHBondContact O-CB 3.44Å; A77-V216 PolarHBondContact N-O 3.29Å; A77-V216 PolarHBondContact O-N 2.85Å; A77-K225 HydrophobicContact CB-CB 4.19Å; A77-K225 HydrophobicContact CB-CD 4.16Å; A77-K225 HydrophobicContact CB-CG 3.77Å; A77-F226 HydrophobicContact CB-CD1 3.64Å; A77-F226 HydrophobicContact CB-CE1 3.58Å; A77-F226 HydrophobicContact CB-CG 4.43Å; A77-F226 HydrophobicContact CB-CZ 4.34Å
78	I	98	Very high	97.2	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	122.8	173.7	-66.7	166.3	0	0	0	108.6	V81 L99 G100 L104 L173 C213 A215 K225	I78-V81 HydrophobicContact CG2-CG2 3.68Å; I78-L99 WeakPolarHBondContact CD1-O 3.38Å; I78-G100 WeakPolarHBondContact O-CA 3.21Å; I78-L104 HydrophobicContact CG1-CD1 4.47Å; I78-L173 HydrophobicContact CD1-CD1 4.34Å; I78-C213 HydrophobicContact CD1-CB 3.87Å; I78-C213 HydrophobicContact CG1-CB 4.19Å; I78-C213 HydrophobicContact CG2-CB 3.95Å; I78-A215 HydrophobicContact CG1-CB 4.18Å; I78-K225 PolarHBondContact O-NZ 3.27Å
79	E	96.5	Very high	97	Very high	88 Å²	88	38.2 Å²	38.2	41%	0.411	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-42.9	-177.2	-179.7	60.8	-150.9	0	0	111.5	A77 V214 V216 K225	A77-E79 PolarHBondContact O-N 3.09Å; E79-V214 PolarHBondContact N-O 3.26Å; E79-V216 HydrophobicContact CB-CG1 4.36Å; E79-V216 HydrophobicContact CB-CG2 3.65Å; E79-V216 HydrophobicContact CG-CG2 4.03Å; E79-K225 IonicContact OE1-NZ 3.44Å; E79-K225 WeakPolarHBondContact OE2-CE 3.38Å; E79-K225 IonicContact OE2-NZ 2.8Å; E79-K225 PolarHBondContact OE2-NZ 3.49Å
80	R	96.6	Very high	96.9	Very high	122 Å²	122	39 Å²	39	46%	0.46	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.3	-176.5	-168	66.2	154.3	-178.5	-1.1	109.5	Y82 P118 V214	R80-Y82 HydrophobicContact CB-CE2 4.24Å; R80-Y82 HydrophobicContact CG-CD2 4.33Å; R80-Y82 HydrophobicContact CG-CE1 4.13Å; R80-Y82 HydrophobicContact CG-CE2 3.63Å; R80-P118 HydrophobicContact CB-CB 3.99Å; R80-P118 HydrophobicContact CB-CG 4.08Å; R80-P118 HydrophobicContact CG-CB 4.2Å; R80-V214 HydrophobicContact CB-CB 4.41Å; R80-V214 PolarHBondContact N-O 3.15Å; R80-V214 PolarHBondContact O-N 3.04Å
81	V	97.9	Very high	96.9	Very high	24 Å²	24	39.3 Å²	39.3	15%	0.145	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128	172.6	-176.9	0	0	0	0	107.3	I78 V83 C96 L99 A211 R212	I78-V81 HydrophobicContact CG2-CG2 3.68Å; V81-V83 HydrophobicContact CG1-CG2 4Å; V81-C96 HydrophobicContact CB-CB 4.24Å; V81-C96 HydrophobicContact CG2-CB 4.26Å; V81-L99 HydrophobicContact CG1-CD1 3.99Å; V81-L99 HydrophobicContact CG2-CB 4.24Å; V81-L99 HydrophobicContact CG2-CD1 4.12Å; V81-A211 HydrophobicContact CG1-CB 3.98Å; V81-R212 CarbonylContact C-O 3.59Å; V81-R212 VanDerWaalsContact CA-O 3.32Å; V81-R212 WeakPolarHBondContact CA-O 3.38Å
82	Y	97.9	Very high	97	Very high	23 Å²	23	41.8 Å²	41.8	9%	0.09	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	110.3	174	-53.4	-96.2	0	0	0	106.4	R80 P119 A120 S121 D122 F127 A211 R212 V214	R80-Y82 HydrophobicContact CB-CE2 4.24Å; R80-Y82 HydrophobicContact CG-CD2 4.33Å; R80-Y82 HydrophobicContact CG-CE1 4.13Å; R80-Y82 HydrophobicContact CG-CE2 3.63Å; Y82-P119 WeakPolarHBondContact CE1-O 3.41Å; Y82-P119 PolarHBondContact OH-O 3.36Å; Y82-A120 WeakPolarHBondContact CE1-O 3.43Å; Y82-S121 WeakPolarHBondContact CE1-O 3.48Å; Y82-D122 HydrophobicContact CD1-CB 3.8Å; Y82-D122 HydrophobicContact CD2-CB 4.07Å; Y82-D122 HydrophobicContact CE1-CB 4.45Å; Y82-D122 HydrophobicContact CG-CB 3.58Å; Y82-F127 HydrophobicContact CE2-CE1 4.1Å; Y82-F127 AromaticContact CE2-CZ 3.83Å; Y82-F127 HydrophobicContact CE2-CZ 3.83Å; Y82-A211 CarbonylContact O-C 3.49Å; Y82-A211 WeakPolarHBondContact O-CA 3.27Å; Y82-R212 HydrophobicContact CD2-CB 4.39Å; Y82-R212 HydrophobicContact CD2-CG 4.38Å; Y82-R212 WeakPolarHBondContact CD2-O 3.42Å; Y82-R212 PolarHBondContact N-O 2.88Å; Y82-R212 PolarHBondContact O-N 3.02Å; Y82-V214 HydrophobicContact CD2-CG2 4.3Å; Y82-V214 HydrophobicContact CE2-CB 4.44Å; Y82-V214 HydrophobicContact CE2-CG2 3.67Å
83	V	97.7	Very high	97	Very high	46 Å²	46	47.9 Å²	47.9	28%	0.279	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	114.8	-178.9	-176.3	0	0	0	0	107.7	V81 N86 M95 A211	V81-V83 HydrophobicContact CG1-CG2 4Å; V83-N86 HydrophobicContact CG1-CB 3.9Å; V83-M95 HydrophobicContact CG1-CE 4.28Å; V83-M95 HydrophobicContact CG2-CE 3.95Å; V83-A211 HydrophobicContact CG2-CB 4.43Å
84	S	97.4	Very high	97	Very high	69 Å²	69	51.2 Å²	51.2	48%	0.483	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-39.5	172.9	-58.8	0	0	0	0	110.4	E210	S84-E210 PolarHBondContact N-O 2.81Å
85	Q	97.1	Very high	97	Very high	72 Å²	72	50.6 Å²	50.6	34%	0.336	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	137.4	-179.7	178.9	70.6	-63.1	0	0	110.8	T87 E208 I209 E210	Q85-T87 HydrophobicContact CG-CG2 4.13Å; Q85-E208 HydrophobicContact CG-CG 3.77Å; Q85-E208 WeakPolarHBondContact CG-OE1 3.46Å; Q85-E208 PolarHBondContact NE2-OE1 3.23Å; Q85-I209 WeakPolarHBondContact O-CA 3.48Å; Q85-E210 HydrophobicContact CB-CB 4.03Å; Q85-E210 PolarHBondContact N-O 3.38Å; Q85-E210 VanDerWaalsContact N-O 3.09Å; Q85-E210 PolarHBondContact O-N 3.49Å
86	N	97.6	Very high	97.1	Very high	27 Å²	27	52 Å²	52	14%	0.144	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	101.6	167.9	175.5	21.2	0	0	0	108.4	V83 S88 M90 D92 M95	V83-N86 HydrophobicContact CG1-CB 3.9Å; N86-S88 WeakPolarHBondContact OD1-CB 3.34Å; N86-S88 PolarHBondContact OD1-N 2.71Å; N86-S88 PolarHBondContact OD1-OG 2.98Å; N86-M90 PolarHBondContact ND2-O 2.83Å; N86-D92 VanDerWaalsContact CB-OD1 3.31Å; N86-D92 WeakPolarHBondContact CB-OD1 3.5Å; N86-D92 PolarHBondContact ND2-OD1 3.31Å; N86-M95 HydrophobicContact CB-CE 4.3Å
87	T	96.6	Very high	97.1	Very high	59 Å²	59	57 Å²	57	36%	0.362	30%	0.298	S	S	.	.			trans	-96.4	3	177.7	57.4	0	0	0	0	112.9	Q85 D207 E208	Q85-T87 HydrophobicContact CG-CG2 4.13Å; T87-D207 VanDerWaalsContact OG1-CA 3.28Å; T87-D207 WeakPolarHBondContact OG1-CA 3.16Å; T87-E208 HydrophobicContact CG2-CG 4.19Å; T87-E208 PolarHBondContact N-O 3.11Å; T87-E208 PolarHBondContact OG1-N 3.36Å; T87-E208 PolarHBondContact OG1-O 3.36Å
88	S	95.5	Very high	97.1	Very high	16 Å²	16	61.5 Å²	61.5	11%	0.112	32%	0.315	C	S	.	.	S	Bend	trans	-72.8	166.5	178.9	82	0	0	0	0	112.7	N86 M90 N201	N86-S88 WeakPolarHBondContact OD1-CB 3.34Å; N86-S88 PolarHBondContact OD1-N 2.71Å; N86-S88 PolarHBondContact OD1-OG 2.98Å; S88-M90 PolarHBondContact O-N 3.22Å; S88-M90 PolarHBondContact OG-N 3.15Å; S88-N201 PolarHBondContact OG-ND2 3.25Å
89	I	94.9	Very high	97.1	Very high	154 Å²	154	61.4 Å²	61.4	79%	0.79	32%	0.315	S	S	*	.	S	Bend	trans	-68.4	-17.1	174.5	-165.6	59.2	0	0	0	113.8	P91	I89-P91 WeakPolarHBondContact O-CD 3.43Å
90	M	96.4	Very high	97.1	Very high	16 Å²	16	57.6 Å²	57.6	8%	0.079	30%	0.299	C	S	.	.	S	Bend	trans	-83.1	121.3	-177.6	-177.6	164.4	60.8	0	0	110	N86 S88 V94 M95 I200 N201	N86-M90 PolarHBondContact ND2-O 2.83Å; S88-M90 PolarHBondContact O-N 3.22Å; S88-M90 PolarHBondContact OG-N 3.15Å; M90-V94 HydrophobicContact CG-CB 4.03Å; M90-V94 HydrophobicContact CG-CG1 4.04Å; M90-V94 HydrophobicContact SD-CB 4.42Å; M90-V94 HydrophobicContact SD-CG1 3.91Å; M90-M95 HydrophobicContact CE-CB 3.5Å; M90-M95 HydrophobicContact CE-CG 3.6Å; M90-M95 HydrophobicContact CE-SD 4.49Å; M90-M95 HydrophobicContact CG-CB 4.26Å; M90-M95 HydrophobicContact SD-CB 4.3Å; M90-I200 WeakPolarHBondContact CE-O 3.36Å; M90-N201 HydrophobicContact CE-CB 3.64Å; M90-N201 WeakPolarHBondContact CE-ND2 3.28Å
91	P	97.6	Very high	97.2	Very high	62 Å²	62	56 Å²	56	40%	0.403	30%	0.299	S	S	.	.			trans	-59.7	149.9	176.7	-23.7	34.3	0	0	0	112.7	I89 E93 V94 M95	I89-P91 WeakPolarHBondContact O-CD 3.43Å; P91-E93 VanDerWaalsContact C-N 3.33Å; P91-E93 WeakPolarHBondContact CB-OE1 3.48Å; P91-E93 WeakPolarHBondContact CB-OE2 3.4Å; P91-E93 PolarHBondContact O-N 2.64Å; P91-V94 HydrophobicContact CB-CG2 4.35Å; P91-V94 HydrophobicContact CG-CG2 4.47Å; P91-V94 PolarHBondContact O-N 2.66Å; P91-V94 VanDerWaalsContact O-N 3.12Å; P91-M95 PolarHBondContact O-N 3.12Å
92	D	97.8	Very high	97.1	Very high	72 Å²	72	55.1 Å²	55.1	39%	0.385	29%	0.293	S	S	.	.	H	α-helix	trans	-56	-44.9	-176.1	-68.3	-16.5	0	0	0	112.2	N86 V94 M95 C96	N86-D92 VanDerWaalsContact CB-OD1 3.31Å; N86-D92 WeakPolarHBondContact CB-OD1 3.5Å; N86-D92 PolarHBondContact ND2-OD1 3.31Å; D92-V94 VanDerWaalsContact C-N 3.28Å; D92-V94 PolarHBondContact O-N 2.73Å; D92-M95 PolarHBondContact O-N 2.7Å; D92-C96 VanDerWaalsContact O-CB 3.27Å; D92-C96 WeakPolarHBondContact O-CB 3.43Å; D92-C96 PolarHBondContact O-N 2.66Å; D92-C96 PolarHBondContact O-SG 3.28Å
93	E	96.6	Very high	97.1	Very high	133 Å²	133	55.7 Å²	55.7	62%	0.621	30%	0.3	S	S	*	.	H	α-helix	trans	-61.9	-36.2	-178.9	66.9	-80.7	-170.1	0	0	112.4	P91 H97	P91-E93 VanDerWaalsContact C-N 3.33Å; P91-E93 WeakPolarHBondContact CB-OE1 3.48Å; P91-E93 WeakPolarHBondContact CB-OE2 3.4Å; P91-E93 PolarHBondContact O-N 2.64Å; E93-H97 VanDerWaalsContact O-CB 3.25Å; E93-H97 WeakPolarHBondContact O-CB 3.5Å; E93-H97 PolarHBondContact O-N 2.79Å
94	V	97.5	Very high	97	Very high	69 Å²	69	53.6 Å²	53.6	42%	0.418	29%	0.287	S	S	.	.	H	α-helix	trans	-73.2	-44.5	177.7	-178.3	0	0	0	0	109.9	M90 P91 D92 H97 R98	M90-V94 HydrophobicContact CG-CB 4.03Å; M90-V94 HydrophobicContact CG-CG1 4.04Å; M90-V94 HydrophobicContact SD-CB 4.42Å; M90-V94 HydrophobicContact SD-CG1 3.91Å; P91-V94 HydrophobicContact CB-CG2 4.35Å; P91-V94 HydrophobicContact CG-CG2 4.47Å; P91-V94 PolarHBondContact O-N 2.66Å; P91-V94 VanDerWaalsContact O-N 3.12Å; D92-V94 VanDerWaalsContact C-N 3.28Å; D92-V94 PolarHBondContact O-N 2.73Å; V94-H97 PolarHBondContact O-N 3.04Å; V94-R98 WeakPolarHBondContact O-CG 2.94Å; V94-R98 PolarHBondContact O-N 3.4Å
95	M	97.1	Very high	96.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-48.7	176.6	-176	179.7	66	0	0	111.6	V83 N86 M90 P91 D92 H97 R98 L99 I209	V83-M95 HydrophobicContact CG1-CE 4.28Å; V83-M95 HydrophobicContact CG2-CE 3.95Å; N86-M95 HydrophobicContact CB-CE 4.3Å; M90-M95 HydrophobicContact CE-CB 3.5Å; M90-M95 HydrophobicContact CE-CG 3.6Å; M90-M95 HydrophobicContact CE-SD 4.49Å; M90-M95 HydrophobicContact CG-CB 4.26Å; M90-M95 HydrophobicContact SD-CB 4.3Å; P91-M95 PolarHBondContact O-N 3.12Å; D92-M95 PolarHBondContact O-N 2.7Å; M95-H97 VanDerWaalsContact C-N 3.34Å; M95-H97 PolarHBondContact O-N 3.06Å; M95-R98 WeakPolarHBondContact O-CB 3.31Å; M95-R98 PolarHBondContact O-N 2.75Å; M95-L99 HydrophobicContact CG-CD1 4.13Å; M95-L99 WeakPolarHBondContact O-CG 3.41Å; M95-L99 PolarHBondContact O-N 2.81Å; M95-I209 HydrophobicContact CE-CG2 4.23Å; M95-I209 HydrophobicContact SD-CD1 3.82Å; M95-I209 HydrophobicContact SD-CG1 4.31Å; M95-I209 HydrophobicContact SD-CG2 3.89Å
96	C	97.8	Very high	96.5	Very high	33 Å²	33	48.4 Å²	48.4	22%	0.223	26%	0.26	C	S	.	.	H	α-helix	trans	-62.1	-41.8	179.1	-66.9	0	0	0	0	111.5	V81 D92 R98 L99 G100	V81-C96 HydrophobicContact CB-CB 4.24Å; V81-C96 HydrophobicContact CG2-CB 4.26Å; D92-C96 VanDerWaalsContact O-CB 3.27Å; D92-C96 WeakPolarHBondContact O-CB 3.43Å; D92-C96 PolarHBondContact O-N 2.66Å; D92-C96 PolarHBondContact O-SG 3.28Å; C96-R98 VanDerWaalsContact C-N 3.34Å; C96-R98 PolarHBondContact O-N 2.78Å; C96-L99 PolarHBondContact O-N 3.15Å; C96-G100 PolarHBondContact O-N 3.19Å
97	H	97.1	Very high	96.3	Very high	109 Å²	109	48.8 Å²	48.8	51%	0.505	26%	0.262	S	S	.	.	H	α-helix	trans	-61.9	-41.4	175.5	-177.5	-95.5	0	0	0	111.7	E93 V94 M95 G100 L101	E93-H97 VanDerWaalsContact O-CB 3.25Å; E93-H97 WeakPolarHBondContact O-CB 3.5Å; E93-H97 PolarHBondContact O-N 2.79Å; V94-H97 PolarHBondContact O-N 3.04Å; M95-H97 VanDerWaalsContact C-N 3.34Å; M95-H97 PolarHBondContact O-N 3.06Å; H97-G100 PolarHBondContact O-N 3.11Å; H97-L101 WeakPolarHBondContact O-CG 3.46Å; H97-L101 PolarHBondContact O-N 3.17Å
98	R	97.4	Very high	96.2	Very high	96 Å²	96	46.2 Å²	46.2	36%	0.362	25%	0.247	S	C	.	.	H	α-helix	trans	-63.2	-45.2	175.1	-70.7	177.8	74	161.4	4.6	112.3	V94 M95 C96 G100 L101 I102 L199 I200	V94-R98 WeakPolarHBondContact O-CG 2.94Å; V94-R98 PolarHBondContact O-N 3.4Å; M95-R98 WeakPolarHBondContact O-CB 3.31Å; M95-R98 PolarHBondContact O-N 2.75Å; C96-R98 VanDerWaalsContact C-N 3.34Å; C96-R98 PolarHBondContact O-N 2.78Å; R98-G100 VanDerWaalsContact C-N 3.25Å; R98-G100 PolarHBondContact O-N 3.47Å; R98-L101 PolarHBondContact O-N 3.29Å; R98-L101 VanDerWaalsContact O-N 3.07Å; R98-I102 PolarHBondContact O-N 3.27Å; R98-L199 PolarHBondContact NH2-O 3.06Å; R98-I200 PolarHBondContact NE-O 2.85Å; R98-I200 PolarHBondContact NH1-O 3.21Å; R98-I200 PolarHBondContact NH2-O 3.23Å
99	L	98	Very high	96	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-56.9	-42.1	174.5	-72	165	0	0	0	111	I78 V81 M95 C96 L101 I102 L137 L173 I200	I78-L99 WeakPolarHBondContact CD1-O 3.38Å; V81-L99 HydrophobicContact CG1-CD1 3.99Å; V81-L99 HydrophobicContact CG2-CB 4.24Å; V81-L99 HydrophobicContact CG2-CD1 4.12Å; M95-L99 HydrophobicContact CG-CD1 4.13Å; M95-L99 WeakPolarHBondContact O-CG 3.41Å; M95-L99 PolarHBondContact O-N 2.81Å; C96-L99 PolarHBondContact O-N 3.15Å; L99-L101 PolarHBondContact O-N 2.77Å; L99-I102 HydrophobicContact CD2-CD1 3.97Å; L99-I102 WeakPolarHBondContact O-CB 3.5Å; L99-I102 PolarHBondContact O-N 2.65Å; L99-L137 HydrophobicContact CD2-CD2 4.22Å; L99-L173 HydrophobicContact CD2-CD1 4.47Å; L99-L173 HydrophobicContact CD2-CD2 4.15Å; L99-I200 HydrophobicContact CD2-CD1 3.83Å; L99-I200 HydrophobicContact CD2-CG2 4.05Å; L99-I200 HydrophobicContact CG-CG2 4.32Å
100	G	97.4	Very high	95.9	Very high	7 Å²	7	48.4 Å²	48.4	7%	0.072	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-24.9	175.6	0	0	0	0	0	115.2	I78 C96 H97 R98 K225	I78-G100 WeakPolarHBondContact O-CA 3.21Å; C96-G100 PolarHBondContact O-N 3.19Å; H97-G100 PolarHBondContact O-N 3.11Å; R98-G100 VanDerWaalsContact C-N 3.25Å; R98-G100 PolarHBondContact O-N 3.47Å; G100-K225 WeakPolarHBondContact O-CB 3.41Å
101	L	96.9	Very high	95.8	Very high	88 Å²	88	47.9 Å²	47.9	46%	0.461	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-0.7	179.5	-65.8	179.4	0	0	0	113.8	H97 R98 L99 P103 K225	H97-L101 WeakPolarHBondContact O-CG 3.46Å; H97-L101 PolarHBondContact O-N 3.17Å; R98-L101 PolarHBondContact O-N 3.29Å; R98-L101 VanDerWaalsContact O-N 3.07Å; L99-L101 PolarHBondContact O-N 2.77Å; L101-P103 WeakPolarHBondContact O-CD 3.21Å; L101-K225 HydrophobicContact CD2-CB 3.96Å
102	I	97.4	Very high	95.7	Very high	6 Å²	6	49.9 Å²	49.9	3%	0.031	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-71.3	119.2	177.1	-65	173.8	0	0	0	109.1	R98 L99 L104 L173 P193 I198 I200	R98-I102 PolarHBondContact O-N 3.27Å; L99-I102 HydrophobicContact CD2-CD1 3.97Å; L99-I102 WeakPolarHBondContact O-CB 3.5Å; L99-I102 PolarHBondContact O-N 2.65Å; I102-L104 PolarHBondContact O-N 2.98Å; I102-L173 HydrophobicContact CD1-CD1 3.82Å; I102-P193 HydrophobicContact CG2-CB 3.75Å; I102-P193 HydrophobicContact CG2-CG 4.07Å; I102-I198 HydrophobicContact CG1-CG2 4.48Å; I102-I198 HydrophobicContact CG2-CD1 4.3Å; I102-I200 HydrophobicContact CD1-CD1 3.74Å; I102-I200 HydrophobicContact CD1-CG1 3.9Å
103	P	96.2	Very high	95.7	Very high	35 Å²	35	48.6 Å²	48.6	23%	0.227	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-69.4	130.2	177.5	29.7	-35.1	0	0	0	110.3	L101 P193 V194 I198 I313	L101-P103 WeakPolarHBondContact O-CD 3.21Å; P103-P193 CarbonylContact O-C 3.59Å; P103-P193 WeakPolarHBondContact O-CA 3.49Å; P103-V194 HydrophobicContact CB-CB 4.3Å; P103-V194 HydrophobicContact CB-CG2 3.89Å; P103-V194 HydrophobicContact CG-CB 4.12Å; P103-V194 HydrophobicContact CG-CG2 4.26Å; P103-V194 PolarHBondContact O-N 3.12Å; P103-I198 HydrophobicContact CG-CD1 4.04Å; P103-I313 HydrophobicContact CB-CB 4.47Å; P103-I313 HydrophobicContact CB-CD1 3.8Å; P103-I313 HydrophobicContact CB-CG1 4.46Å
104	L	95.8	Very high	95.5	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-100.5	132.2	179.4	-58.8	179	0	0	0	110.8	L76 I78 I102 V106 Y135 P193 A215	L76-L104 HydrophobicContact CB-CD1 4.37Å; I78-L104 HydrophobicContact CG1-CD1 4.47Å; I102-L104 PolarHBondContact O-N 2.98Å; L104-V106 HydrophobicContact CB-CG2 4.27Å; L104-V106 PolarHBondContact O-N 3.1Å; L104-Y135 HydrophobicContact CD1-CE2 4.14Å; L104-Y135 HydrophobicContact CD2-CE2 4.27Å; L104-P193 HydrophobicContact CD2-CG 4.43Å; L104-A215 HydrophobicContact CD1-CB 3.52Å
105	A	92.2	Very high	95	Very high	29 Å²	29	47.1 Å²	47.1	24%	0.24	24%	0.243	C	C	.	.			trans	-82.7	55.6	179.2	0	0	0	0	0	111.9	I192 V194 S317	A105-I192 WeakPolarHBondContact CB-O 3.48Å; A105-I192 PolarHBondContact N-O 2.82Å; A105-V194 HydrophobicContact CB-CG2 3.98Å; A105-S317 WeakPolarHBondContact CA-OG 3.22Å; A105-S317 WeakPolarHBondContact O-CB 3.34Å
106	V	93	Very high	94.6	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.012	27%	0.271	C	S	.	.			trans	-126.4	136.2	-173.7	-172	0	0	0	0	111.2	L76 L104 P108 F111 L133 F185 P191	L76-V106 HydrophobicContact CD1-CB 3.83Å; L76-V106 HydrophobicContact CD1-CG1 3.56Å; L104-V106 HydrophobicContact CB-CG2 4.27Å; L104-V106 PolarHBondContact O-N 3.1Å; V106-P108 WeakPolarHBondContact O-CD 3.43Å; V106-F111 HydrophobicContact CG1-CE2 3.82Å; V106-L133 HydrophobicContact CG1-CD2 4.46Å; V106-L133 HydrophobicContact CG2-CD2 3.98Å; V106-F185 HydrophobicContact CG1-CE1 3.87Å; V106-F185 HydrophobicContact CG1-CZ 3.59Å; V106-P191 HydrophobicContact CG2-CB 3.48Å; V106-P191 VanDerWaalsContact CG2-CB 3.48Å
107	D	92.7	Very high	94.2	Very high	35 Å²	35	62 Å²	62	19%	0.187	30%	0.3	C	S	.	.			trans	-78.5	116.9	174.3	-171	-19.3	0	0	0	110.1	K109 Y110	D107-K109 HydrophobicContact CB-CG 4.4Å; D107-K109 PolarHBondContact O-N 2.94Å; D107-K109 WeakPolarHBondContact OD1-CB 3.25Å; D107-K109 WeakPolarHBondContact OD1-CG 3.5Å; D107-K109 PolarHBondContact OD1-N 3.18Å; D107-K109 VanDerWaalsContact OD1-N 3.08Å; D107-K109 WeakPolarHBondContact OD2-CD 3.33Å; D107-K109 WeakPolarHBondContact OD2-CE 3.14Å; D107-K109 IonicContact OD2-NZ 2.61Å; D107-K109 PolarHBondContact OD2-NZ 2.81Å; D107-Y110 HydrophobicContact CB-CD2 3.97Å; D107-Y110 HydrophobicContact CB-CE2 3.75Å; D107-Y110 VanDerWaalsContact O-CD2 3.25Å; D107-Y110 WeakPolarHBondContact O-CD2 3.03Å; D107-Y110 PolarHBondContact O-N 3.41Å
108	P	93.8	Very high	93.9	Very high	6 Å²	6	57.9 Å²	57.9	4%	0.039	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-68.5	-5.3	-177	31.3	-39.6	0	0	0	113.8	P74 L76 V106 Y110 F111 K217	P74-P108 HydrophobicContact CB-CB 4.37Å; P74-P108 HydrophobicContact CB-CG 4.37Å; P74-P108 WeakPolarHBondContact O-CG 3.3Å; L76-P108 HydrophobicContact CD1-CB 4.19Å; V106-P108 WeakPolarHBondContact O-CD 3.43Å; P108-Y110 PolarHBondContact O-N 3.17Å; P108-F111 PolarHBondContact O-N 2.98Å; P108-F111 VanDerWaalsContact O-O 3.05Å; P108-K217 HydrophobicContact CB-CD 4.15Å; P108-K217 HydrophobicContact CB-CG 4.18Å; P108-K217 WeakPolarHBondContact O-CD 3.27Å; P108-K217 WeakPolarHBondContact O-CE 3.39Å; P108-K217 PolarHBondContact O-NZ 3.22Å
109	K	92.5	Very high	93.6	Very high	131 Å²	131	55 Å²	55	57%	0.57	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-64.4	-24.8	175.3	78.3	-174.6	178.7	-135.9	0	113.1	D107 F111	D107-K109 HydrophobicContact CB-CG 4.4Å; D107-K109 PolarHBondContact O-N 2.94Å; D107-K109 WeakPolarHBondContact OD1-CB 3.25Å; D107-K109 WeakPolarHBondContact OD1-CG 3.5Å; D107-K109 PolarHBondContact OD1-N 3.18Å; D107-K109 VanDerWaalsContact OD1-N 3.08Å; D107-K109 WeakPolarHBondContact OD2-CD 3.33Å; D107-K109 WeakPolarHBondContact OD2-CE 3.14Å; D107-K109 IonicContact OD2-NZ 2.61Å; D107-K109 PolarHBondContact OD2-NZ 2.81Å; K109-F111 PolarHBondContact O-N 3.35Å
110	Y	92.5	Very high	93.3	Very high	85 Å²	85	59.4 Å²	59.4	33%	0.333	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-76.7	-9.2	179.1	-58.1	-60.4	0	0	0	112.8	D107 P108 H184 F185	D107-Y110 HydrophobicContact CB-CD2 3.97Å; D107-Y110 HydrophobicContact CB-CE2 3.75Å; D107-Y110 VanDerWaalsContact O-CD2 3.25Å; D107-Y110 WeakPolarHBondContact O-CD2 3.03Å; D107-Y110 PolarHBondContact O-N 3.41Å; P108-Y110 PolarHBondContact O-N 3.17Å; Y110-H184 HydrophobicContact CD1-CB 4.19Å; Y110-H184 AromaticContact CD1-CD2 3.63Å; Y110-H184 AromaticContact CD1-CG 3.7Å; Y110-H184 AromaticContact CD1-NE2 3.94Å; Y110-H184 HydrophobicContact CE1-CB 4.33Å; Y110-H184 AromaticContact CE1-CG 3.96Å; Y110-H184 HydrophobicContact CG-CB 4.42Å; Y110-F185 HydrophobicContact CD2-CE1 4.33Å; Y110-F185 AromaticContact CD2-CZ 3.83Å; Y110-F185 HydrophobicContact CD2-CZ 3.83Å; Y110-F185 HydrophobicContact CG-CZ 4.38Å
111	F	95.2	Very high	93.1	Very high	5 Å²	5	62.2 Å²	62.2	2%	0.022	33%	0.331	C	S	.	.	S	Bend	trans	-121.6	145.2	-176.4	-63.3	-91.8	0	0	0	111.6	L76 V106 P108 K109 K130 L133 F185 K217	L76-F111 HydrophobicContact CD1-CD2 3.59Å; L76-F111 HydrophobicContact CD1-CE2 3.92Å; L76-F111 HydrophobicContact CD1-CG 4.34Å; L76-F111 HydrophobicContact CD2-CD1 4.46Å; L76-F111 HydrophobicContact CD2-CD2 4.08Å; L76-F111 HydrophobicContact CD2-CE2 4.38Å; L76-F111 HydrophobicContact CD2-CG 4.11Å; L76-F111 HydrophobicContact CG-CD2 4.41Å; V106-F111 HydrophobicContact CG1-CE2 3.82Å; P108-F111 PolarHBondContact O-N 2.98Å; P108-F111 VanDerWaalsContact O-O 3.05Å; K109-F111 PolarHBondContact O-N 3.35Å; F111-K130 CarbonylContact C-O 3.58Å; F111-K130 VanDerWaalsContact CA-O 3.27Å; F111-K130 WeakPolarHBondContact CA-O 3.34Å; F111-L133 HydrophobicContact CE1-CB 4.05Å; F111-L133 HydrophobicContact CZ-CB 4.02Å; F111-L133 HydrophobicContact CZ-CD1 4.21Å; F111-L133 HydrophobicContact CZ-CD2 4.36Å; F111-L133 HydrophobicContact CZ-CG 4.45Å; F111-F185 AromaticContact CE2-CE2 3.89Å; F111-F185 HydrophobicContact CE2-CE2 3.89Å; F111-F185 AromaticContact CE2-CZ 3.89Å; F111-F185 HydrophobicContact CE2-CZ 3.89Å; F111-F185 AromaticContact CZ-CE2 3.88Å; F111-F185 HydrophobicContact CZ-CE2 3.88Å; F111-F185 HydrophobicContact CZ-CZ 4.32Å; F111-K217 HydrophobicContact CB-CB 4.35Å; F111-K217 HydrophobicContact CB-CD 4.37Å; F111-K217 WeakPolarHBondContact O-CD 3.38Å; F111-K217 PolarHBondContact O-NZ 2.95Å
112	L	95.6	Very high	92.9	Very high	103 Å²	103	61 Å²	61	54%	0.539	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-82.4	159.2	167.8	-59.6	179.5	0	0	0	109.6	K130 E131	L112-K130 HydrophobicContact CD1-CB 4.29Å; L112-K130 HydrophobicContact CD1-CD 4.45Å; L112-K130 HydrophobicContact CG-CB 4.46Å; L112-K130 PolarHBondContact N-O 2.91Å; L112-E131 HydrophobicContact CB-CG 4.41Å
113	F	95.9	Very high	92.7	Very high	45 Å²	45	64.8 Å²	64.8	20%	0.197	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-69.4	138.2	168	-76.7	-80.1	0	0	0	108.9	P74 T115 K217 I219 N385 G386	P74-F113 HydrophobicContact CB-CE1 4.34Å; P74-F113 HydrophobicContact CB-CZ 3.81Å; P74-F113 HydrophobicContact CG-CE2 4.36Å; P74-F113 HydrophobicContact CG-CZ 3.71Å; F113-T115 PolarHBondContact O-N 2.85Å; F113-K217 HydrophobicContact CD1-CB 4.42Å; F113-K217 HydrophobicContact CD1-CD 4.28Å; F113-K217 HydrophobicContact CD1-CG 3.91Å; F113-K217 HydrophobicContact CD2-CD 4.29Å; F113-K217 HydrophobicContact CE1-CD 4.32Å; F113-K217 HydrophobicContact CE1-CG 3.84Å; F113-K217 HydrophobicContact CE2-CD 4.32Å; F113-K217 HydrophobicContact CG-CD 4.29Å; F113-K217 HydrophobicContact CG-CG 4.39Å; F113-K217 HydrophobicContact CZ-CD 4.36Å; F113-K217 HydrophobicContact CZ-CG 4.27Å; F113-I219 HydrophobicContact CE1-CG2 3.91Å; F113-I219 HydrophobicContact CZ-CG2 3.99Å; F113-N385 WeakPolarHBondContact CE1-O 3.35Å; F113-N385 VanDerWaalsContact CZ-C 3.4Å; F113-N385 WeakPolarHBondContact CZ-O 3.11Å; F113-G386 VanDerWaalsContact CD1-CA 3.49Å
114	P	93.2	Very high	92.5	Very high	46 Å²	46	66 Å²	66	30%	0.299	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-63.1	127.1	-178.6	26.9	-34.2	0	0	0	110.1	R116 V216 K217	P114-R116 VanDerWaalsContact C-N 3.35Å; P114-V216 HydrophobicContact CG-CB 4.16Å; P114-V216 HydrophobicContact CG-CG2 4.26Å; P114-K217 WeakPolarHBondContact CD-O 3.27Å
115	T	87.7	Confident	92.4	Very high	125 Å²	125	70.7 Å²	70.7	77%	0.767	38%	0.383	S	S	*	.	S	Bend	trans	-79.2	-23	176	50.9	0	0	0	0	112.7	F113 E131	F113-T115 PolarHBondContact O-N 2.85Å; T115-E131 WeakPolarHBondContact CG2-OE1 3.34Å; T115-E131 PolarHBondContact N-OE1 2.79Å; T115-E131 PolarHBondContact OG1-OE1 3.25Å
116	R	88.5	Confident	92.4	Very high	159 Å²	159	70.6 Å²	70.6	60%	0.6	38%	0.384	S	S	*	.	S	Bend	trans	-140	161.9	-178.6	56.8	-177.9	174.5	158.4	2.9	110.2	P114	P114-R116 VanDerWaalsContact C-N 3.35Å
117	K	89.5	Confident	92.5	Very high	188 Å²	188	71 Å²	71	82%	0.817	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-62	148	171	-68.7	-179.1	178.5	-179.7	0	109.8
118	P	89.8	Confident	92.6	Very high	22 Å²	22	71.9 Å²	71.9	14%	0.143	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-50.6	147.3	171	-28.2	36.1	0	0	0	111.5	R80 V216	R80-P118 HydrophobicContact CB-CB 3.99Å; R80-P118 HydrophobicContact CB-CG 4.08Å; R80-P118 HydrophobicContact CG-CB 4.2Å; P118-V216 HydrophobicContact CG-CG1 4.15Å
119	P	91.1	Very high	92.6	Very high	34 Å²	34	73.6 Å²	73.6	22%	0.221	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-58.4	159.7	-176.2	24.7	-34.6	0	0	0	112.4	Y82 F127	Y82-P119 WeakPolarHBondContact CE1-O 3.41Å; Y82-P119 PolarHBondContact OH-O 3.36Å; P119-F127 HydrophobicContact CG-CD1 3.67Å; P119-F127 HydrophobicContact CG-CE1 3.42Å; P119-F127 VanDerWaalsContact CG-CE1 3.42Å; P119-F127 HydrophobicContact CG-CZ 4.27Å
120	A	91.6	Very high	92.7	Very high	94 Å²	94	73.9 Å²	73.9	78%	0.777	40%	0.403	S	S	*	.	S	Bend	trans	-73.9	-28.6	177.7	0	0	0	0	0	113	Y82	Y82-A120 WeakPolarHBondContact CE1-O 3.43Å
121	S	93.6	Very high	92.9	Very high	65 Å²	65	70.1 Å²	70.1	46%	0.455	39%	0.389	S	S	.	.	S	Bend	trans	-91.3	153	174.5	168.4	0	0	0	0	110.9	Y82 D123	Y82-S121 WeakPolarHBondContact CE1-O 3.48Å; S121-D123 VanDerWaalsContact C-N 3.34Å; S121-D123 PolarHBondContact OG-N 3.01Å; S121-D123 VanDerWaalsContact OG-N 3.16Å
122	D	92.8	Very high	92.9	Very high	62 Å²	62	70 Å²	70	33%	0.332	39%	0.388	S	S	.	.			trans	-87.1	3.4	175.5	68	-39.7	0	0	0	113.8	Y82 L124 R212	Y82-D122 HydrophobicContact CD1-CB 3.8Å; Y82-D122 HydrophobicContact CD2-CB 4.07Å; Y82-D122 HydrophobicContact CE1-CB 4.45Å; Y82-D122 HydrophobicContact CG-CB 3.58Å; D122-L124 PolarHBondContact O-N 2.97Å; D122-R212 WeakPolarHBondContact O-CD 3.21Å; D122-R212 PolarHBondContact O-NH1 3.48Å
123	D	93.8	Very high	93	Very high	86 Å²	86	65 Å²	65	46%	0.46	36%	0.362	S	S	.	.			trans	-61	129.5	177.5	179.9	23.4	0	0	0	111.4	S121 S125 G126	S121-D123 VanDerWaalsContact C-N 3.34Å; S121-D123 PolarHBondContact OG-N 3.01Å; S121-D123 VanDerWaalsContact OG-N 3.16Å; D123-S125 PolarHBondContact O-N 2.79Å; D123-S125 PolarHBondContact OD1-N 2.83Å; D123-S125 WeakPolarHBondContact OD2-CB 3.13Å; D123-S125 PolarHBondContact OD2-OG 2.84Å; D123-G126 PolarHBondContact O-N 3.43Å
124	L	92.5	Very high	93	Very high	61 Å²	61	62.9 Å²	62.9	32%	0.319	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-60.1	-31.2	-177.2	-67.1	176.3	0	0	0	112.4	D122 G126 F127 V134 I176 L178	D122-L124 PolarHBondContact O-N 2.97Å; L124-G126 PolarHBondContact O-N 3Å; L124-F127 HydrophobicContact CD2-CD2 4.18Å; L124-F127 HydrophobicContact CD2-CE2 4.29Å; L124-F127 PolarHBondContact O-N 2.81Å; L124-V134 HydrophobicContact CD2-CG1 4.09Å; L124-I176 HydrophobicContact CD1-CG2 3.97Å; L124-I176 HydrophobicContact CD2-CG2 4.12Å; L124-L178 HydrophobicContact CD2-CD2 4.28Å
125	S	92.3	Very high	93.2	Very high	102 Å²	102	60.7 Å²	60.7	71%	0.713	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-64.1	-22	178.7	84	0	0	0	0	113.2	D123	D123-S125 PolarHBondContact O-N 2.79Å; D123-S125 PolarHBondContact OD1-N 2.83Å; D123-S125 WeakPolarHBondContact OD2-CB 3.13Å; D123-S125 PolarHBondContact OD2-OG 2.84Å
126	G	92.6	Very high	93.7	Very high	26 Å²	26	56 Å²	56	27%	0.268	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-79.7	-15.2	179.5	0	0	0	0	0	114.5	D123 L124	D123-G126 PolarHBondContact O-N 3.43Å; L124-G126 PolarHBondContact O-N 3Å
127	F	95.3	Very high	94.2	Very high	10 Å²	10	48.5 Å²	48.5	4%	0.044	28%	0.28	C	S	.	.	S	Bend	trans	-90.7	131.6	-176.8	-58.3	-56.3	0	0	0	112	Y82 P119 L124 P129 H132 V134 L178 V214	Y82-F127 HydrophobicContact CE2-CE1 4.1Å; Y82-F127 AromaticContact CE2-CZ 3.83Å; Y82-F127 HydrophobicContact CE2-CZ 3.83Å; P119-F127 HydrophobicContact CG-CD1 3.67Å; P119-F127 HydrophobicContact CG-CE1 3.42Å; P119-F127 VanDerWaalsContact CG-CE1 3.42Å; P119-F127 HydrophobicContact CG-CZ 4.27Å; L124-F127 HydrophobicContact CD2-CD2 4.18Å; L124-F127 HydrophobicContact CD2-CE2 4.29Å; L124-F127 PolarHBondContact O-N 2.81Å; F127-P129 WeakPolarHBondContact O-CD 3.38Å; F127-H132 HydrophobicContact CB-CB 4.06Å; F127-V134 HydrophobicContact CD2-CG2 3.82Å; F127-V134 HydrophobicContact CE2-CG2 4.29Å; F127-V134 HydrophobicContact CG-CG2 4.21Å; F127-L178 HydrophobicContact CB-CD1 3.77Å; F127-L178 HydrophobicContact CB-CD2 4.46Å; F127-V214 HydrophobicContact CD1-CG1 4.33Å; F127-V214 HydrophobicContact CD1-CG2 4.29Å; F127-V214 HydrophobicContact CE1-CG1 4.29Å; F127-V214 HydrophobicContact CE1-CG2 3.63Å; F127-V214 HydrophobicContact CE2-CG2 4.24Å; F127-V214 HydrophobicContact CZ-CG2 3.63Å
128	D	95	Very high	94.5	Very high	54 Å²	54	43.4 Å²	43.4	29%	0.289	27%	0.268	S	S	.	.			trans	-78.6	119.2	170.8	-173.2	-28.1	0	0	0	110.4	K130 E131 H132	D128-K130 PolarHBondContact O-N 2.75Å; D128-K130 VanDerWaalsContact O-N 3.11Å; D128-K130 WeakPolarHBondContact OD1-CB 3.43Å; D128-K130 PolarHBondContact OD1-N 2.89Å; D128-E131 HydrophobicContact CB-CB 4.19Å; D128-E131 HydrophobicContact CB-CG 4.33Å; D128-E131 PolarHBondContact O-N 3.17Å; D128-E131 VanDerWaalsContact O-N 3.07Å; D128-H132 PolarHBondContact N-ND1 3.48Å; D128-H132 WeakPolarHBondContact O-CB 3.5Å; D128-H132 PolarHBondContact O-N 2.58Å; D128-H132 PolarHBondContact O-ND1 3.12Å; D128-H132 VanDerWaalsContact O-ND1 3.08Å
129	P	94.8	Very high	94.9	Very high	42 Å²	42	43.6 Å²	43.6	27%	0.273	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.3	178.9	-21.2	31.1	0	0	0	115	F127 L178 A179 Q181	F127-P129 WeakPolarHBondContact O-CD 3.38Å; P129-L178 HydrophobicContact CB-CB 3.9Å; P129-L178 HydrophobicContact CG-CB 4.04Å; P129-A179 WeakPolarHBondContact CB-O 3.33Å; P129-A179 HydrophobicContact CG-CB 4.44Å; P129-A179 WeakPolarHBondContact CG-O 3.34Å; P129-Q181 HydrophobicContact CB-CG 4.42Å; P129-Q181 PolarHBondContact O-NE2 3.32Å
130	K	94.6	Very high	95	Very high	137 Å²	137	43.6 Å²	43.6	60%	0.596	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-17.2	178.7	-61.1	-179.3	-177.5	176.1	0	113.3	F111 L112 D128	F111-K130 CarbonylContact C-O 3.58Å; F111-K130 VanDerWaalsContact CA-O 3.27Å; F111-K130 WeakPolarHBondContact CA-O 3.34Å; L112-K130 HydrophobicContact CD1-CB 4.29Å; L112-K130 HydrophobicContact CD1-CD 4.45Å; L112-K130 HydrophobicContact CG-CB 4.46Å; L112-K130 PolarHBondContact N-O 2.91Å; D128-K130 PolarHBondContact O-N 2.75Å; D128-K130 VanDerWaalsContact O-N 3.11Å; D128-K130 WeakPolarHBondContact OD1-CB 3.43Å; D128-K130 PolarHBondContact OD1-N 2.89Å
131	E	95.4	Very high	95.1	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.033	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-26.4	-178.8	-62.7	-175.6	156.1	0	0	112.6	L112 T115 D128	L112-E131 HydrophobicContact CB-CG 4.41Å; T115-E131 WeakPolarHBondContact CG2-OE1 3.34Å; T115-E131 PolarHBondContact N-OE1 2.79Å; T115-E131 PolarHBondContact OG1-OE1 3.25Å; D128-E131 HydrophobicContact CB-CB 4.19Å; D128-E131 HydrophobicContact CB-CG 4.33Å; D128-E131 PolarHBondContact O-N 3.17Å; D128-E131 VanDerWaalsContact O-N 3.07Å
132	H	96.5	Very high	94.7	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.2	-168.2	-55.1	93.7	0	0	0	113.2	F127 D128 L178 Q181 V214	F127-H132 HydrophobicContact CB-CB 4.06Å; D128-H132 PolarHBondContact N-ND1 3.48Å; D128-H132 WeakPolarHBondContact O-CB 3.5Å; D128-H132 PolarHBondContact O-N 2.58Å; D128-H132 PolarHBondContact O-ND1 3.12Å; D128-H132 VanDerWaalsContact O-ND1 3.08Å; H132-L178 HydrophobicContact CB-CD1 4.28Å; H132-Q181 PolarHBondContact O-NE2 2.87Å; H132-V214 HydrophobicContact CB-CG1 4Å
133	L	96.2	Very high	94.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.7	171.7	179	64.9	0	0	0	109.4	V106 F111 Y135 P191 V214 A215	V106-L133 HydrophobicContact CG1-CD2 4.46Å; V106-L133 HydrophobicContact CG2-CD2 3.98Å; F111-L133 HydrophobicContact CE1-CB 4.05Å; F111-L133 HydrophobicContact CZ-CB 4.02Å; F111-L133 HydrophobicContact CZ-CD1 4.21Å; F111-L133 HydrophobicContact CZ-CD2 4.36Å; F111-L133 HydrophobicContact CZ-CG 4.45Å; L133-Y135 HydrophobicContact CD2-CE2 3.82Å; L133-Y135 WeakPolarHBondContact CD2-OH 3.45Å; L133-Y135 HydrophobicContact CG-CE2 3.71Å; L133-P191 HydrophobicContact CD1-CB 4.23Å; L133-P191 HydrophobicContact CD1-CG 3.74Å; L133-P191 HydrophobicContact CD2-CB 4.02Å; L133-P191 HydrophobicContact CD2-CG 4.41Å; L133-V214 WeakPolarHBondContact O-CA 3.33Å; L133-A215 HydrophobicContact CB-CB 4.25Å; L133-A215 PolarHBondContact N-O 2.95Å; L133-A215 PolarHBondContact O-N 3.44Å
134	V	97	Very high	92.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.5	-167	-174	0	0	0	0	111.3	L124 F127 I176 L178 R212 C213 V214	L124-V134 HydrophobicContact CD2-CG1 4.09Å; F127-V134 HydrophobicContact CD2-CG2 3.82Å; F127-V134 HydrophobicContact CE2-CG2 4.29Å; F127-V134 HydrophobicContact CG-CG2 4.21Å; V134-I176 HydrophobicContact CB-CB 4.36Å; V134-I176 HydrophobicContact CG1-CB 4.27Å; V134-I176 PolarHBondContact O-N 2.83Å; V134-L178 HydrophobicContact CG2-CD1 3.96Å; V134-L178 HydrophobicContact CG2-CD2 4.19Å; V134-L178 HydrophobicContact CG2-CG 4.19Å; V134-R212 HydrophobicContact CG1-CG 3.7Å; V134-C213 CarbonylContact C-O 3.53Å; V134-C213 WeakPolarHBondContact CA-O 3.4Å; V134-V214 HydrophobicContact CG2-CG2 4.31Å
135	Y	97.8	Very high	91.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.8	173	-57.6	-94.6	0	0	0	110.3	L104 L133 L173 K174 W175 P191 R212 C213 A215	L104-Y135 HydrophobicContact CD1-CE2 4.14Å; L104-Y135 HydrophobicContact CD2-CE2 4.27Å; L133-Y135 HydrophobicContact CD2-CE2 3.82Å; L133-Y135 WeakPolarHBondContact CD2-OH 3.45Å; L133-Y135 HydrophobicContact CG-CE2 3.71Å; Y135-L173 HydrophobicContact CD1-CB 4.24Å; Y135-K174 CarbonylContact C-O 3.53Å; Y135-K174 VanDerWaalsContact CA-O 3.22Å; Y135-K174 WeakPolarHBondContact CA-O 3.43Å; Y135-W175 HydrophobicContact CD1-CB 4Å; Y135-W175 HydrophobicContact CE1-CB 3.96Å; Y135-P191 VanDerWaalsContact CE1-O 3.27Å; Y135-P191 WeakPolarHBondContact CE1-O 3.32Å; Y135-P191 PolarHBondContact OH-O 2.98Å; Y135-R212 CarbonylContact O-C 3.5Å; Y135-C213 PolarHBondContact N-O 3.31Å; Y135-C213 PolarHBondContact O-N 3.26Å; Y135-A215 HydrophobicContact CE2-CB 4.44Å
136	D	97.9	Very high	89.2	Confident	27 Å²	27	50 Å²	50	14%	0.144	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	138	169.9	-72.8	-11.9	0	0	0	110.1	K174 I176 R212	D136-K174 PolarHBondContact N-O 3.11Å; D136-K174 PolarHBondContact O-N 3.03Å; D136-I176 HydrophobicContact CB-CD1 4.28Å; D136-I176 HydrophobicContact CB-CG1 4.2Å; D136-I176 WeakPolarHBondContact OD2-CG1 3.48Å; D136-R212 WeakPolarHBondContact OD1-CG 3.48Å; D136-R212 IonicContact OD1-CZ 3.47Å; D136-R212 IonicContact OD1-NE 2.74Å; D136-R212 PolarHBondContact OD1-NE 3.32Å; D136-R212 IonicContact OD1-NH2 3.4Å; D136-R212 PolarHBondContact OD1-NH2 2.9Å; D136-R212 IonicContact OD2-CZ 3.78Å; D136-R212 IonicContact OD2-NE 2.83Å; D136-R212 IonicContact OD2-NH2 3.31Å; D136-R212 PolarHBondContact OD2-NH2 2.87Å
137	L	97.8	Very high	86.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	99.3	172.1	179.9	65.8	0	0	0	107.8	L99 V139 V168 D172 L173 I209 E210 A211	L99-L137 HydrophobicContact CD2-CD2 4.22Å; L137-V139 HydrophobicContact CD1-CG1 4.23Å; L137-V139 HydrophobicContact CD1-CG2 4.38Å; L137-V139 HydrophobicContact CG-CG2 4.47Å; L137-V168 HydrophobicContact CD1-CG1 3.97Å; L137-D172 HydrophobicContact CD1-CB 3.75Å; L137-L173 HydrophobicContact CB-CD2 4.06Å; L137-I209 HydrophobicContact CD2-CG2 3.95Å; L137-I209 HydrophobicContact CG-CG2 4.27Å; L137-E210 WeakPolarHBondContact O-CA 3.18Å; L137-A211 PolarHBondContact N-O 3.01Å; L137-A211 PolarHBondContact O-N 3.38Å
138	C	97.3	Very high	84.6	Confident	82 Å²	82	58.5 Å²	58.5	55%	0.554	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.7	102.4	178.9	-55.7	0	0	0	0	108.7	I209	C138-I209 WeakPolarHBondContact CA-O 3.41Å
139	V	96.3	Very high	82.2	Confident	26 Å²	26	65 Å²	65	16%	0.158	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	145.3	-176	-69.1	0	0	0	0	110.2	L137 V168 D172 L203 E208 I209	L137-V139 HydrophobicContact CD1-CG1 4.23Å; L137-V139 HydrophobicContact CD1-CG2 4.38Å; L137-V139 HydrophobicContact CG-CG2 4.47Å; V139-V168 HydrophobicContact CB-CG2 4.37Å; V139-V168 HydrophobicContact CG1-CG1 4.35Å; V139-V168 HydrophobicContact CG2-CG1 3.89Å; V139-V168 HydrophobicContact CG2-CG2 3.77Å; V139-D172 HydrophobicContact CG1-CB 3.84Å; V139-L203 HydrophobicContact CB-CD1 4.44Å; V139-L203 HydrophobicContact CG2-CD1 4.03Å; V139-E208 CarbonylContact O-C 3.55Å; V139-E208 VanDerWaalsContact O-CA 3.3Å; V139-E208 WeakPolarHBondContact O-CA 3.47Å; V139-I209 HydrophobicContact CG2-CB 3.88Å; V139-I209 HydrophobicContact CG2-CD1 4.49Å; V139-I209 PolarHBondContact N-O 3.31Å; V139-I209 PolarHBondContact O-N 2.96Å
140	G	94.4	Very high	79.8	Confident	34 Å²	34	69.8 Å²	69.8	35%	0.351	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	142.5	177.1	0	0	0	0	0	112.1	D207	G140-D207 CarbonylContact C-O 3.59Å; G140-D207 WeakPolarHBondContact CA-O 3.46Å
141	F	93.9	Very high	77.4	Confident	21 Å²	21	71.9 Å²	71.9	9%	0.092	39%	0.385	C	S	.	.			trans	-103.1	87.1	-179.8	-174.2	-162.3	0	0	0	110.7	H143 Q164 L166 L203 A204 L205 G206 D207	F141-H143 WeakPolarHBondContact CE2-O 3.49Å; F141-Q164 HydrophobicContact CZ-CB 4.44Å; F141-L166 HydrophobicContact CB-CB 3.89Å; F141-L166 HydrophobicContact CB-CD2 3.93Å; F141-L166 HydrophobicContact CD1-CB 3.87Å; F141-L166 HydrophobicContact CD2-CB 4.18Å; F141-L166 HydrophobicContact CE1-CB 4.48Å; F141-L166 HydrophobicContact CG-CB 3.73Å; F141-L166 HydrophobicContact CG-CD2 4.39Å; F141-L203 HydrophobicContact CB-CB 4.11Å; F141-L203 WeakPolarHBondContact CD1-O 3.35Å; F141-A204 VanDerWaalsContact CD1-C 3.42Å; F141-A204 WeakPolarHBondContact CD1-O 3.26Å; F141-L205 HydrophobicContact CD1-CB 4.25Å; F141-L205 HydrophobicContact CD1-CD1 4.46Å; F141-L205 HydrophobicContact CD2-CD1 4.14Å; F141-L205 HydrophobicContact CE1-CB 4.08Å; F141-L205 HydrophobicContact CE1-CD1 4.31Å; F141-L205 HydrophobicContact CE2-CD1 4Å; F141-L205 HydrophobicContact CG-CD1 4.35Å; F141-L205 HydrophobicContact CZ-CD1 4.08Å; F141-G206 PolarHBondContact O-N 3.04Å; F141-D207 PolarHBondContact N-O 2.68Å
142	T	85.3	Confident	75	Confident	107 Å²	107	75.4 Å²	75.4	66%	0.656	41%	0.409	S	S	*	.			trans	-93.1	-33.3	-172.3	53.2	0	0	0	0	114.4
143	H	79	Confident	72.8	Confident	157 Å²	157	83.5 Å²	83.5	73%	0.727	45%	0.447	S	S	*	.			trans	-137.1	126.6	-178.9	-67.5	-56.3	0	0	0	112.1	F141 S145	F141-H143 WeakPolarHBondContact CE2-O 3.49Å; H143-S145 PolarHBondContact O-N 2.88Å; H143-S145 VanDerWaalsContact O-N 3.15Å
144	S	65.8	Low	70.4	Confident	46 Å²	46	90.7 Å²	90.7	32%	0.322	48%	0.478	S	S	.	.			trans	-62.9	110.2	161.2	175.4	0	0	0	0	109	K146 Q164	S144-K146 PolarHBondContact O-N 3.47Å; S144-Q164 VanDerWaalsContact OG-CD 3.31Å; S144-Q164 PolarHBondContact OG-NE2 3.08Å; S144-Q164 PolarHBondContact OG-OE1 3.32Å
145	S	59	Low	68.1	Low	68 Å²	68	95.8 Å²	95.8	48%	0.476	51%	0.505	S	S	.	.			trans	-68.4	118.8	172.6	58.3	0	0	0	0	109	H143 D147 S148	H143-S145 PolarHBondContact O-N 2.88Å; H143-S145 VanDerWaalsContact O-N 3.15Å; S145-D147 PolarHBondContact O-N 3.44Å; S145-D147 VanDerWaalsContact O-N 3.13Å; S145-S148 PolarHBondContact O-N 3.16Å; S145-S148 PolarHBondContact OG-OG 2.92Å
146	K	51.1	Low	66.2	Low	204 Å²	204	105.8 Å²	105.8	89%	0.887	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.8	172.8	-74.4	-177.9	176.2	178.1	0	113.1	S144	S144-K146 PolarHBondContact O-N 3.47Å
147	D	44.8	Very low	64.3	Low	150 Å²	150	110.7 Å²	110.7	80%	0.802	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	8.2	-174.2	-63.7	-33.6	0	0	0	114.4	S145 H149	S145-D147 PolarHBondContact O-N 3.44Å; S145-D147 VanDerWaalsContact O-N 3.13Å; D147-H149 PolarHBondContact O-N 3.33Å
148	S	47.9	Very low	62.4	Low	65 Å²	65	116.1 Å²	116.1	46%	0.455	60%	0.604	S	S	.	*			trans	-67.1	107	162.3	-65.5	0	0	0	0	107.7	S145 N150	S145-S148 PolarHBondContact O-N 3.16Å; S145-S148 PolarHBondContact OG-OG 2.92Å; S148-N150 CarbonylContact O-C 3.58Å; S148-N150 PolarHBondContact O-N 3.34Å
149	H	42.9	Very low	60.8	Low	192 Å²	192	117.8 Å²	117.8	89%	0.889	61%	0.612	S	S	*	*	S	Bend	trans	-56.7	1.2	172	-91	-68.1	0	0	0	114.5	D147 K151	D147-H149 PolarHBondContact O-N 3.33Å; H149-K151 PolarHBondContact O-N 3.07Å
150	N	44.2	Very low	58.9	Low	141 Å²	141	122.6 Å²	122.6	75%	0.754	64%	0.636	S	S	*	*			trans	-68.2	75.7	154.8	-66.9	-7.2	0	0	0	109.3	S148	S148-N150 CarbonylContact O-C 3.58Å; S148-N150 PolarHBondContact O-N 3.34Å
151	K	44.2	Very low	57.3	Low	181 Å²	181	126.6 Å²	126.6	79%	0.787	66%	0.656	S	S	*	*			trans	-43.3	132.5	145.9	-84.7	178.8	175.4	175.4	0	105.7	H149 E153	H149-K151 PolarHBondContact O-N 3.07Å; K151-E153 PolarHBondContact O-N 3.35Å
152	P	46.2	Very low	55.9	Low	82 Å²	82	128.7 Å²	128.7	53%	0.532	67%	0.67	S	S	.	*			trans	-49.3	114.9	173.3	21.1	-30.9	0	0	0	105.8	K154 V162	P152-K154 VanDerWaalsContact C-N 3.31Å; P152-K154 PolarHBondContact O-N 3.46Å; P152-V162 HydrophobicContact CB-CB 3.94Å; P152-V162 HydrophobicContact CB-CG2 4.14Å
153	E	49.2	Very low	55.2	Low	171 Å²	171	127.2 Å²	127.2	80%	0.799	67%	0.669	S	S	*	*			trans	-55	108.9	172	-81.2	-174.3	150.7	0	0	103.9	K151 D155 V162	K151-E153 PolarHBondContact O-N 3.35Å; E153-D155 PolarHBondContact O-N 3.37Å; E153-V162 WeakPolarHBondContact O-CG2 3.33Å
154	K	47	Very low	55.4	Low	150 Å²	150	125.1 Å²	125.1	65%	0.652	66%	0.659	S	S	*	*			trans	-56.9	118	174.9	-78.4	174	150.4	-122.6	0	105	P152 D158	P152-K154 VanDerWaalsContact C-N 3.31Å; P152-K154 PolarHBondContact O-N 3.46Å; K154-D158 VanDerWaalsContact CD-OD1 3.32Å; K154-D158 WeakPolarHBondContact CD-OD1 3.24Å; K154-D158 WeakPolarHBondContact CE-OD1 3.43Å; K154-D158 WeakPolarHBondContact CG-OD1 3.24Å; K154-D158 VanDerWaalsContact NZ-CG 3.28Å; K154-D158 IonicContact NZ-OD1 3.51Å; K154-D158 PolarHBondContact NZ-OD1 3.16Å; K154-D158 IonicContact NZ-OD2 2.75Å; K154-D158 PolarHBondContact NZ-OD2 2.9Å
155	D	48.1	Very low	56.6	Low	107 Å²	107	128.7 Å²	128.7	57%	0.572	67%	0.667	S	S	*	*			trans	-53.4	146.8	171.5	-133.8	-19.9	0	0	0	107.5	E153 D157 D158	E153-D155 PolarHBondContact O-N 3.37Å; D155-D157 CarbonylContact O-C 3.46Å; D155-D157 PolarHBondContact O-N 3.13Å; D155-D158 PolarHBondContact O-N 3.21Å
156	K	59	Low	58.2	Low	210 Å²	210	128.6 Å²	128.6	91%	0.913	66%	0.66	S	S	*	*	S	Bend	trans	-54.5	-25.1	-176.6	-73.1	-179.5	178.2	175.7	0	112.5
157	D	56.2	Low	60.3	Low	131 Å²	131	120.6 Å²	120.6	70%	0.701	63%	0.629	S	S	*	*	S	Bend	trans	-104.2	102.3	165.3	-76.6	-36.1	0	0	0	109.4	D155 T159	D155-D157 CarbonylContact O-C 3.46Å; D155-D157 PolarHBondContact O-N 3.13Å; D157-T159 PolarHBondContact O-N 3.13Å; D157-T159 PolarHBondContact O-OG1 3.21Å
158	D	58.7	Low	62.8	Low	113 Å²	113	113.5 Å²	113.5	60%	0.604	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	30.3	-173.7	-122.2	-10.1	0	0	0	116.1	K154 D155	K154-D158 VanDerWaalsContact CD-OD1 3.32Å; K154-D158 WeakPolarHBondContact CD-OD1 3.24Å; K154-D158 WeakPolarHBondContact CE-OD1 3.43Å; K154-D158 WeakPolarHBondContact CG-OD1 3.24Å; K154-D158 VanDerWaalsContact NZ-CG 3.28Å; K154-D158 IonicContact NZ-OD1 3.51Å; K154-D158 PolarHBondContact NZ-OD1 3.16Å; K154-D158 IonicContact NZ-OD2 2.75Å; K154-D158 PolarHBondContact NZ-OD2 2.9Å; D155-D158 PolarHBondContact O-N 3.21Å
159	T	62.9	Low	65.2	Low	117 Å²	117	114.5 Å²	114.5	72%	0.718	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	-16.2	-168.4	47.6	0	0	0	0	116	D157	D157-T159 PolarHBondContact O-N 3.13Å; D157-T159 PolarHBondContact O-OG1 3.21Å
160	L	56.9	Low	67.8	Low	128 Å²	128	105.4 Å²	105.4	67%	0.67	54%	0.544	S	S	*	.	S	Bend	trans	-129.2	131.2	-179.7	-67.5	172.3	0	0	0	112.4	V162	L160-V162 PolarHBondContact O-N 3.22Å
161	P	60.1	Low	70.2	Confident	118 Å²	118	101.2 Å²	101.2	77%	0.766	53%	0.525	S	S	*	.			trans	-66.5	130.9	171.3	26	-30.3	0	0	0	110	A163	P161-A163 PolarHBondContact O-N 2.58Å; P161-A163 VanDerWaalsContact O-N 3.09Å
162	V	65.4	Low	72.8	Confident	65 Å²	65	94.6 Å²	94.6	39%	0.394	50%	0.498	S	S	.	.			trans	-63.2	113.2	173.1	-179	0	0	0	0	108.8	P152 E153 L160 Q164	P152-V162 HydrophobicContact CB-CB 3.94Å; P152-V162 HydrophobicContact CB-CG2 4.14Å; E153-V162 WeakPolarHBondContact O-CG2 3.33Å; L160-V162 PolarHBondContact O-N 3.22Å; V162-Q164 PolarHBondContact O-N 2.96Å
163	A	71.2	Confident	75.2	Confident	76 Å²	76	91.2 Å²	91.2	63%	0.628	48%	0.476	S	S	*	.			trans	-60.5	127.7	174.6	0	0	0	0	0	109.6	P161 Y165	P161-A163 PolarHBondContact O-N 2.58Å; P161-A163 VanDerWaalsContact O-N 3.09Å; A163-Y165 WeakPolarHBondContact O-CD1 3.41Å
164	Q	83	Confident	77.4	Confident	112 Å²	112	88.8 Å²	88.8	52%	0.523	46%	0.463	S	S	.	.			trans	-79.2	137.1	174.8	-66.1	179.9	-7.4	0	0	109.7	F141 S144 V162	F141-Q164 HydrophobicContact CZ-CB 4.44Å; S144-Q164 VanDerWaalsContact OG-CD 3.31Å; S144-Q164 PolarHBondContact OG-NE2 3.08Å; S144-Q164 PolarHBondContact OG-OE1 3.32Å; V162-Q164 PolarHBondContact O-N 2.96Å
165	Y	90.1	Very high	79.7	Confident	122 Å²	122	83.9 Å²	83.9	48%	0.478	44%	0.44	S	S	.	.			trans	-139.6	150.6	176.3	56.4	-92	0	0	0	110.1	A163 P167 K202 L203	A163-Y165 WeakPolarHBondContact O-CD1 3.41Å; Y165-P167 WeakPolarHBondContact O-CD 3.32Å; Y165-K202 HydrophobicContact CD2-CB 4.2Å; Y165-K202 HydrophobicContact CD2-CD 3.64Å; Y165-K202 HydrophobicContact CD2-CG 3.92Å; Y165-K202 HydrophobicContact CE2-CD 3.74Å; Y165-K202 HydrophobicContact CE2-CG 4.32Å; Y165-K202 HydrophobicContact CG-CB 4.48Å; Y165-K202 HydrophobicContact CG-CD 4.17Å; Y165-K202 PolarHBondContact OH-NZ 3.37Å; Y165-L203 CarbonylContact C-O 3.54Å; Y165-L203 VanDerWaalsContact CA-O 3.25Å; Y165-L203 WeakPolarHBondContact CA-O 3.26Å
166	L	93.1	Very high	82	Confident	65 Å²	65	80.8 Å²	80.8	34%	0.34	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	111.1	170.2	179	67.6	0	0	0	108.8	F141 V168 K202 L203	F141-L166 HydrophobicContact CB-CB 3.89Å; F141-L166 HydrophobicContact CB-CD2 3.93Å; F141-L166 HydrophobicContact CD1-CB 3.87Å; F141-L166 HydrophobicContact CD2-CB 4.18Å; F141-L166 HydrophobicContact CE1-CB 4.48Å; F141-L166 HydrophobicContact CG-CB 3.73Å; F141-L166 HydrophobicContact CG-CD2 4.39Å; L166-V168 PolarHBondContact O-N 2.9Å; L166-K202 WeakPolarHBondContact O-CA 3.29Å; L166-L203 HydrophobicContact CB-CB 4.28Å; L166-L203 PolarHBondContact N-O 2.86Å; L166-L203 PolarHBondContact O-N 3.2Å
167	P	95.4	Very high	83.6	Confident	36 Å²	36	74.4 Å²	74.4	23%	0.234	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	128.3	173.5	30.4	-34.2	0	0	0	110.4	Y165 Y169 L199	Y165-P167 WeakPolarHBondContact O-CD 3.32Å; P167-Y169 HydrophobicContact CB-CD2 4.3Å; P167-Y169 HydrophobicContact CB-CE2 3.53Å; P167-Y169 HydrophobicContact CG-CE2 3.58Å; P167-L199 HydrophobicContact CB-CD1 3.7Å
168	V	96.8	Very high	85.4	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.006	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.1	175.1	179.6	0	0	0	0	108	L137 V139 L166 D172 I200 N201 L203	L137-V168 HydrophobicContact CD1-CG1 3.97Å; V139-V168 HydrophobicContact CB-CG2 4.37Å; V139-V168 HydrophobicContact CG1-CG1 4.35Å; V139-V168 HydrophobicContact CG2-CG1 3.89Å; V139-V168 HydrophobicContact CG2-CG2 3.77Å; L166-V168 PolarHBondContact O-N 2.9Å; V168-D172 WeakPolarHBondContact CA-OD2 3.14Å; V168-D172 HydrophobicContact CG1-CB 4.32Å; V168-I200 HydrophobicContact CG1-CB 4.36Å; V168-I200 PolarHBondContact O-N 2.76Å; V168-N201 HydrophobicContact CB-CB 4.35Å; V168-N201 PolarHBondContact N-O 3.46Å; V168-N201 PolarHBondContact O-N 2.88Å; V168-L203 HydrophobicContact CG2-CD1 3.75Å; V168-L203 HydrophobicContact CG2-CD2 4.48Å; V168-L203 HydrophobicContact CG2-CG 3.72Å
169	Y	98	Very high	86.9	Confident	87 Å²	87	67.2 Å²	67.2	34%	0.341	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	167.1	-174.8	-66.2	-76.7	0	0	0	112.2	P167 S171 D172 S196 T197 I198 L199 I200	P167-Y169 HydrophobicContact CB-CD2 4.3Å; P167-Y169 HydrophobicContact CB-CE2 3.53Å; P167-Y169 HydrophobicContact CG-CE2 3.58Å; Y169-S171 PolarHBondContact O-N 3.27Å; Y169-S171 VanDerWaalsContact O-N 3.16Å; Y169-D172 PolarHBondContact N-OD2 2.77Å; Y169-D172 VanDerWaalsContact O-CB 3.29Å; Y169-D172 WeakPolarHBondContact O-CB 3.41Å; Y169-D172 PolarHBondContact O-N 3.17Å; Y169-S196 WeakPolarHBondContact CB-O 3.33Å; Y169-T197 WeakPolarHBondContact CD1-O 3.48Å; Y169-I198 CarbonylContact C-O 3.54Å; Y169-I198 VanDerWaalsContact CA-O 3.28Å; Y169-I198 WeakPolarHBondContact CA-O 3.43Å; Y169-L199 HydrophobicContact CD1-CB 4.22Å; Y169-L199 HydrophobicContact CD1-CD1 4.27Å; Y169-L199 HydrophobicContact CE1-CB 4.09Å; Y169-L199 HydrophobicContact CE1-CD1 3.95Å; Y169-I200 WeakPolarHBondContact O-CD1 3.35Å
170	S	97.4	Very high	88.2	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-56.7	-24.7	171.4	47.9	0	0	0	0	113.9	D172 L173 S195 S196 I198	S170-D172 PolarHBondContact O-N 3.22Å; S170-L173 WeakPolarHBondContact O-CB 3.47Å; S170-L173 PolarHBondContact O-N 3.18Å; S170-S195 WeakPolarHBondContact CB-O 3.41Å; S170-S195 PolarHBondContact OG-O 2.91Å; S170-S196 WeakPolarHBondContact OG-CA 3.42Å; S170-S196 PolarHBondContact OG-O 2.9Å; S170-I198 PolarHBondContact N-O 3.1Å; S170-I198 WeakPolarHBondContact OG-CB 3.23Å; S170-I198 PolarHBondContact OG-N 3.37Å; S170-I198 VanDerWaalsContact OG-N 3.14Å
171	S	96.3	Very high	89.8	Confident	53 Å²	53	57.6 Å²	57.6	37%	0.371	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-62	-19.1	171	55.4	0	0	0	0	114.6	Y169 L173 K174 S196	Y169-S171 PolarHBondContact O-N 3.27Å; Y169-S171 VanDerWaalsContact O-N 3.16Å; S171-L173 VanDerWaalsContact C-N 3.3Å; S171-K174 PolarHBondContact O-NZ 3.21Å; S171-S196 WeakPolarHBondContact CB-O 3.43Å; S171-S196 PolarHBondContact N-O 3.31Å; S171-S196 PolarHBondContact OG-O 2.85Å
172	D	97	Very high	91.1	Very high	42 Å²	42	57 Å²	57	23%	0.225	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-81.3	-13.8	-178.9	-58.9	-40.2	0	0	0	112.3	L137 V139 V168 Y169 S170 K174	L137-D172 HydrophobicContact CD1-CB 3.75Å; V139-D172 HydrophobicContact CG1-CB 3.84Å; V168-D172 WeakPolarHBondContact CA-OD2 3.14Å; V168-D172 HydrophobicContact CG1-CB 4.32Å; Y169-D172 PolarHBondContact N-OD2 2.77Å; Y169-D172 VanDerWaalsContact O-CB 3.29Å; Y169-D172 WeakPolarHBondContact O-CB 3.41Å; Y169-D172 PolarHBondContact O-N 3.17Å; S170-D172 PolarHBondContact O-N 3.22Å; D172-K174 PolarHBondContact O-N 3.27Å
173	L	97.5	Very high	92.1	Very high	11 Å²	11	60.2 Å²	60.2	6%	0.058	33%	0.331	C	S	.	.			trans	-67.7	116.1	169.6	-71	167.2	0	0	0	110.3	I78 L99 I102 Y135 L137 S170 S171 P193	I78-L173 HydrophobicContact CD1-CD1 4.34Å; L99-L173 HydrophobicContact CD2-CD1 4.47Å; L99-L173 HydrophobicContact CD2-CD2 4.15Å; I102-L173 HydrophobicContact CD1-CD1 3.82Å; Y135-L173 HydrophobicContact CD1-CB 4.24Å; L137-L173 HydrophobicContact CB-CD2 4.06Å; S170-L173 WeakPolarHBondContact O-CB 3.47Å; S170-L173 PolarHBondContact O-N 3.18Å; S171-L173 VanDerWaalsContact C-N 3.3Å; L173-P193 HydrophobicContact CD1-CG 4.03Å
174	K	96	Very high	92.7	Very high	121 Å²	121	61.1 Å²	61.1	53%	0.526	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	115.7	179	-55	-50.9	176	-163.5	0	109.9	Y135 D136 S171 D172 I176	Y135-K174 CarbonylContact C-O 3.53Å; Y135-K174 VanDerWaalsContact CA-O 3.22Å; Y135-K174 WeakPolarHBondContact CA-O 3.43Å; D136-K174 PolarHBondContact N-O 3.11Å; D136-K174 PolarHBondContact O-N 3.03Å; S171-K174 PolarHBondContact O-NZ 3.21Å; D172-K174 PolarHBondContact O-N 3.27Å; K174-I176 PolarHBondContact O-N 3.2Å
175	W	95.6	Very high	92.9	Very high	47 Å²	47	56.3 Å²	56.3	18%	0.178	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	131.4	175.2	168.7	54.1	0	0	0	111	Y135 P177 Q181 F185 P190 P191	Y135-W175 HydrophobicContact CD1-CB 4Å; Y135-W175 HydrophobicContact CE1-CB 3.96Å; W175-P177 HydrophobicContact CH2-CB 3.86Å; W175-P177 HydrophobicContact CZ2-CB 3.63Å; W175-P177 HydrophobicContact CZ3-CB 4.48Å; W175-Q181 HydrophobicContact CZ2-CB 4.14Å; W175-F185 HydrophobicContact CH2-CB 3.55Å; W175-F185 HydrophobicContact CZ2-CB 3.85Å; W175-F185 HydrophobicContact CZ3-CB 4.18Å; W175-P190 HydrophobicContact CE3-CB 4.03Å; W175-P190 HydrophobicContact CZ3-CB 4.41Å; W175-P191 HydrophobicContact CB-CG 4.25Å; W175-P191 HydrophobicContact CD2-CG 3.53Å; W175-P191 HydrophobicContact CE3-CG 4.16Å; W175-P191 HydrophobicContact CG-CG 3.54Å; W175-P191 HydrophobicContact CZ2-CG 4.25Å
176	I	94.8	Very high	92.5	Very high	42 Å²	42	54.2 Å²	54.2	22%	0.215	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	113.8	172.1	-54.3	-55.3	0	0	0	108.1	L124 V134 D136 K174 L178	L124-I176 HydrophobicContact CD1-CG2 3.97Å; L124-I176 HydrophobicContact CD2-CG2 4.12Å; V134-I176 HydrophobicContact CB-CB 4.36Å; V134-I176 HydrophobicContact CG1-CB 4.27Å; V134-I176 PolarHBondContact O-N 2.83Å; D136-I176 HydrophobicContact CB-CD1 4.28Å; D136-I176 HydrophobicContact CB-CG1 4.2Å; D136-I176 WeakPolarHBondContact OD2-CG1 3.48Å; K174-I176 PolarHBondContact O-N 3.2Å; I176-L178 PolarHBondContact O-N 2.83Å
177	P	93	Very high	91.7	Very high	76 Å²	76	58.6 Å²	58.6	49%	0.494	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-67.9	128.3	-179.1	26.7	-33.1	0	0	0	111.1	W175	W175-P177 HydrophobicContact CH2-CB 3.86Å; W175-P177 HydrophobicContact CZ2-CB 3.63Å; W175-P177 HydrophobicContact CZ3-CB 4.48Å
178	L	94.2	Very high	91	Very high	12 Å²	12	63.9 Å²	63.9	6%	0.063	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-91.1	157.1	165.9	-60.3	-179.6	0	0	0	110.1	L124 F127 P129 H132 V134 I176 G180 Q181	L124-L178 HydrophobicContact CD2-CD2 4.28Å; F127-L178 HydrophobicContact CB-CD1 3.77Å; F127-L178 HydrophobicContact CB-CD2 4.46Å; P129-L178 HydrophobicContact CB-CB 3.9Å; P129-L178 HydrophobicContact CG-CB 4.04Å; H132-L178 HydrophobicContact CB-CD1 4.28Å; V134-L178 HydrophobicContact CG2-CD1 3.96Å; V134-L178 HydrophobicContact CG2-CD2 4.19Å; V134-L178 HydrophobicContact CG2-CG 4.19Å; I176-L178 PolarHBondContact O-N 2.83Å; L178-G180 PolarHBondContact O-N 2.9Å; L178-Q181 HydrophobicContact CB-CG 4.31Å; L178-Q181 VanDerWaalsContact O-CB 3.31Å; L178-Q181 WeakPolarHBondContact O-CB 3.31Å; L178-Q181 WeakPolarHBondContact O-CG 3.46Å; L178-Q181 PolarHBondContact O-N 3.02Å
179	A	91	Very high	90.5	Very high	81 Å²	81	68.8 Å²	68.8	67%	0.669	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	127.4	-174.8	0	0	0	0	0	113.2	P129 Q181	P129-A179 WeakPolarHBondContact CB-O 3.33Å; P129-A179 HydrophobicContact CG-CB 4.44Å; P129-A179 WeakPolarHBondContact CG-O 3.34Å; A179-Q181 VanDerWaalsContact C-N 3.32Å
180	G	89.6	Confident	90	Very high	35 Å²	35	66.8 Å²	66.8	36%	0.361	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	-5	179.3	0	0	0	0	0	115.1	L178 E182	L178-G180 PolarHBondContact O-N 2.9Å; G180-E182 VanDerWaalsContact C-N 3.27Å; G180-E182 WeakPolarHBondContact CA-OE1 3.4Å; G180-E182 VanDerWaalsContact N-CD 3.3Å; G180-E182 PolarHBondContact N-OE1 3.41Å; G180-E182 PolarHBondContact N-OE2 3.16Å; G180-E182 VanDerWaalsContact N-OE2 3.13Å; G180-E182 PolarHBondContact O-N 3.13Å
181	Q	91.4	Very high	89.8	Confident	7 Å²	7	66.9 Å²	66.9	3%	0.033	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-74.6	-21.7	176.6	-68.5	-173.2	-19	0	0	112.5	P129 H132 W175 L178 A179 D183 H184 F185	P129-Q181 HydrophobicContact CB-CG 4.42Å; P129-Q181 PolarHBondContact O-NE2 3.32Å; H132-Q181 PolarHBondContact O-NE2 2.87Å; W175-Q181 HydrophobicContact CZ2-CB 4.14Å; L178-Q181 HydrophobicContact CB-CG 4.31Å; L178-Q181 VanDerWaalsContact O-CB 3.31Å; L178-Q181 WeakPolarHBondContact O-CB 3.31Å; L178-Q181 WeakPolarHBondContact O-CG 3.46Å; L178-Q181 PolarHBondContact O-N 3.02Å; A179-Q181 VanDerWaalsContact C-N 3.32Å; Q181-D183 PolarHBondContact O-N 3.33Å; Q181-D183 VanDerWaalsContact O-N 3.14Å; Q181-H184 PolarHBondContact O-N 3.45Å; Q181-F185 HydrophobicContact CB-CD2 4.33Å; Q181-F185 PolarHBondContact O-N 3.06Å
182	E	86.4	Confident	89.6	Confident	106 Å²	106	68.7 Å²	68.7	50%	0.495	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-55	-24.8	174.9	54.1	-84.5	-170.8	0	0	114.1	G180 H184 F185	G180-E182 VanDerWaalsContact C-N 3.27Å; G180-E182 WeakPolarHBondContact CA-OE1 3.4Å; G180-E182 VanDerWaalsContact N-CD 3.3Å; G180-E182 PolarHBondContact N-OE1 3.41Å; G180-E182 PolarHBondContact N-OE2 3.16Å; G180-E182 VanDerWaalsContact N-OE2 3.13Å; G180-E182 PolarHBondContact O-N 3.13Å; E182-H184 VanDerWaalsContact C-N 3.3Å; E182-H184 PolarHBondContact O-N 3.5Å; E182-F185 CarbonylContact C-O 3.59Å; E182-F185 WeakPolarHBondContact CA-O 3.48Å; E182-F185 VanDerWaalsContact O-O 3.13Å
183	D	85.6	Confident	89.5	Confident	132 Å²	132	67.1 Å²	67.1	71%	0.706	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-71.5	-24.3	177.6	-70.5	-23.9	0	0	0	113.1	Q181	Q181-D183 PolarHBondContact O-N 3.33Å; Q181-D183 VanDerWaalsContact O-N 3.14Å
184	H	85.1	Confident	89.4	Confident	95 Å²	95	69 Å²	69	44%	0.44	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-32.4	-176.8	-62.6	-29.4	0	0	0	112.3	Y110 Q181 E182	Y110-H184 HydrophobicContact CD1-CB 4.19Å; Y110-H184 AromaticContact CD1-CD2 3.63Å; Y110-H184 AromaticContact CD1-CG 3.7Å; Y110-H184 AromaticContact CD1-NE2 3.94Å; Y110-H184 HydrophobicContact CE1-CB 4.33Å; Y110-H184 AromaticContact CE1-CG 3.96Å; Y110-H184 HydrophobicContact CG-CB 4.42Å; Q181-H184 PolarHBondContact O-N 3.45Å; E182-H184 VanDerWaalsContact C-N 3.3Å; E182-H184 PolarHBondContact O-N 3.5Å
185	F	86.7	Confident	89.3	Confident	11 Å²	11	65.2 Å²	65.2	5%	0.048	37%	0.366	C	S	.	.			trans	-124	131.4	-179.3	-52.8	-68.2	0	0	0	109.2	V106 Y110 F111 W175 Q181 E182 P191	V106-F185 HydrophobicContact CG1-CE1 3.87Å; V106-F185 HydrophobicContact CG1-CZ 3.59Å; Y110-F185 HydrophobicContact CD2-CE1 4.33Å; Y110-F185 AromaticContact CD2-CZ 3.83Å; Y110-F185 HydrophobicContact CD2-CZ 3.83Å; Y110-F185 HydrophobicContact CG-CZ 4.38Å; F111-F185 AromaticContact CE2-CE2 3.89Å; F111-F185 HydrophobicContact CE2-CE2 3.89Å; F111-F185 AromaticContact CE2-CZ 3.89Å; F111-F185 HydrophobicContact CE2-CZ 3.89Å; F111-F185 AromaticContact CZ-CE2 3.88Å; F111-F185 HydrophobicContact CZ-CE2 3.88Å; F111-F185 HydrophobicContact CZ-CZ 4.32Å; W175-F185 HydrophobicContact CH2-CB 3.55Å; W175-F185 HydrophobicContact CZ2-CB 3.85Å; W175-F185 HydrophobicContact CZ3-CB 4.18Å; Q181-F185 HydrophobicContact CB-CD2 4.33Å; Q181-F185 PolarHBondContact O-N 3.06Å; E182-F185 CarbonylContact C-O 3.59Å; E182-F185 WeakPolarHBondContact CA-O 3.48Å; E182-F185 VanDerWaalsContact O-O 3.13Å; F185-P191 HydrophobicContact CB-CG 4.36Å; F185-P191 HydrophobicContact CD1-CB 3.99Å; F185-P191 HydrophobicContact CD1-CG 4.21Å; F185-P191 HydrophobicContact CD2-CG 4.46Å; F185-P191 HydrophobicContact CE1-CB 4.14Å; F185-P191 HydrophobicContact CG-CB 4.35Å; F185-P191 HydrophobicContact CG-CG 4.08Å
186	N	81.6	Confident	89.3	Confident	78 Å²	78	66.4 Å²	66.4	42%	0.417	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-137.1	178	178.7	62.4	46.3	0	0	0	110.2	N188 N189 P190	N186-N188 PolarHBondContact O-N 3.06Å; N186-N188 WeakPolarHBondContact OD1-CA 3.26Å; N186-N188 WeakPolarHBondContact OD1-CB 3.36Å; N186-N188 PolarHBondContact OD1-N 3.43Å; N186-N189 PolarHBondContact N-O 3.45Å; N186-N189 CarbonylContact O-C 3.54Å; N186-N189 PolarHBondContact O-N 3.19Å; N186-N189 PolarHBondContact OD1-N 2.92Å; N186-P190 WeakPolarHBondContact O-CA 3.44Å; N186-P190 WeakPolarHBondContact O-CD 3.45Å
187	I	76.9	Confident	89.4	Confident	158 Å²	158	69 Å²	69	81%	0.81	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.7	-178.1	-159.4	162.6	0	0	0	113.5
188	N	80	Confident	89.6	Confident	147 Å²	147	68 Å²	68	79%	0.786	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-18.7	177.4	-58.3	-35.7	0	0	0	112.8	N186	N186-N188 PolarHBondContact O-N 3.06Å; N186-N188 WeakPolarHBondContact OD1-CA 3.26Å; N186-N188 WeakPolarHBondContact OD1-CB 3.36Å; N186-N188 PolarHBondContact OD1-N 3.43Å
189	N	85.8	Confident	89.8	Confident	103 Å²	103	70.1 Å²	70.1	55%	0.551	40%	0.401	S	S	*	.	B	Isolated β-bridge	trans	-141.7	63.5	178.3	-172.1	43.8	0	0	0	110.8	N186	N186-N189 PolarHBondContact N-O 3.45Å; N186-N189 CarbonylContact O-C 3.54Å; N186-N189 PolarHBondContact O-N 3.19Å; N186-N189 PolarHBondContact OD1-N 2.92Å
190	P	88.6	Confident	90	Very high	46 Å²	46	66.3 Å²	66.3	30%	0.299	37%	0.369	S	S	.	.			trans	-71.8	152.5	178.8	28.4	-32.4	0	0	0	110.3	W175 N186 I192	W175-P190 HydrophobicContact CE3-CB 4.03Å; W175-P190 HydrophobicContact CZ3-CB 4.41Å; N186-P190 WeakPolarHBondContact O-CA 3.44Å; N186-P190 WeakPolarHBondContact O-CD 3.45Å; P190-I192 HydrophobicContact CB-CG2 4.14Å; P190-I192 HydrophobicContact CG-CG2 3.83Å; P190-I192 PolarHBondContact O-N 2.94Å
191	P	92.6	Very high	90.4	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.006	36%	0.355	C	S	.	.			trans	-72.8	113.3	170.5	31	-23.2	0	0	0	107.4	V106 L133 Y135 W175 F185	V106-P191 HydrophobicContact CG2-CB 3.48Å; V106-P191 VanDerWaalsContact CG2-CB 3.48Å; L133-P191 HydrophobicContact CD1-CB 4.23Å; L133-P191 HydrophobicContact CD1-CG 3.74Å; L133-P191 HydrophobicContact CD2-CB 4.02Å; L133-P191 HydrophobicContact CD2-CG 4.41Å; Y135-P191 VanDerWaalsContact CE1-O 3.27Å; Y135-P191 WeakPolarHBondContact CE1-O 3.32Å; Y135-P191 PolarHBondContact OH-O 2.98Å; W175-P191 HydrophobicContact CB-CG 4.25Å; W175-P191 HydrophobicContact CD2-CG 3.53Å; W175-P191 HydrophobicContact CE3-CG 4.16Å; W175-P191 HydrophobicContact CG-CG 3.54Å; W175-P191 HydrophobicContact CZ2-CG 4.25Å; F185-P191 HydrophobicContact CB-CG 4.36Å; F185-P191 HydrophobicContact CD1-CB 3.99Å; F185-P191 HydrophobicContact CD1-CG 4.21Å; F185-P191 HydrophobicContact CD2-CG 4.46Å; F185-P191 HydrophobicContact CE1-CB 4.14Å; F185-P191 HydrophobicContact CG-CB 4.35Å; F185-P191 HydrophobicContact CG-CG 4.08Å
192	I	92	Very high	90.5	Very high	91 Å²	91	69 Å²	69	47%	0.467	37%	0.371	S	S	.	.			trans	-124.7	160.4	-175.5	55.8	169	0	0	0	110.9	A105 P190	A105-I192 WeakPolarHBondContact CB-O 3.48Å; A105-I192 PolarHBondContact N-O 2.82Å; P190-I192 HydrophobicContact CB-CG2 4.14Å; P190-I192 HydrophobicContact CG-CG2 3.83Å; P190-I192 PolarHBondContact O-N 2.94Å
193	P	95.7	Very high	91	Very high	9 Å²	9	64 Å²	64	6%	0.058	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-53.4	146.3	162.2	-28.1	38.8	0	0	0	111.5	I102 P103 L104 L173 S195	I102-P193 HydrophobicContact CG2-CB 3.75Å; I102-P193 HydrophobicContact CG2-CG 4.07Å; P103-P193 CarbonylContact O-C 3.59Å; P103-P193 WeakPolarHBondContact O-CA 3.49Å; L104-P193 HydrophobicContact CD2-CG 4.43Å; L173-P193 HydrophobicContact CD1-CG 4.03Å; P193-S195 VanDerWaalsContact C-N 3.29Å; P193-S195 WeakPolarHBondContact CB-O 3.44Å; P193-S195 PolarHBondContact O-N 3.48Å
194	V	94	Very high	91.4	Very high	52 Å²	52	60 Å²	60	32%	0.315	33%	0.333	S	S	.	.	S	Bend	trans	-59	-43.8	178.4	174.1	0	0	0	0	111.2	P103 A105 I313 A314	P103-V194 HydrophobicContact CB-CB 4.3Å; P103-V194 HydrophobicContact CB-CG2 3.89Å; P103-V194 HydrophobicContact CG-CB 4.12Å; P103-V194 HydrophobicContact CG-CG2 4.26Å; P103-V194 PolarHBondContact O-N 3.12Å; A105-V194 HydrophobicContact CB-CG2 3.98Å; V194-I313 WeakPolarHBondContact CG1-O 2.99Å; V194-A314 HydrophobicContact CG2-CB 3.59Å
195	S	94.9	Very high	91.7	Very high	40 Å²	40	60.4 Å²	60.4	28%	0.28	34%	0.338	S	S	.	.			trans	-115.3	136.3	175.9	169.9	0	0	0	0	109	S170 P193 T197	S170-S195 WeakPolarHBondContact CB-O 3.41Å; S170-S195 PolarHBondContact OG-O 2.91Å; P193-S195 VanDerWaalsContact C-N 3.29Å; P193-S195 WeakPolarHBondContact CB-O 3.44Å; P193-S195 PolarHBondContact O-N 3.48Å; S195-T197 VanDerWaalsContact C-N 3.33Å; S195-T197 PolarHBondContact OG-N 2.97Å; S195-T197 PolarHBondContact OG-OG1 3.11Å
196	S	95	Very high	92	Very high	72 Å²	72	62.5 Å²	62.5	50%	0.503	36%	0.363	S	S	.	.	S	Bend	trans	-82.6	-9.1	175.7	52.6	0	0	0	0	113.3	Y169 S170 S171	Y169-S196 WeakPolarHBondContact CB-O 3.33Å; S170-S196 WeakPolarHBondContact OG-CA 3.42Å; S170-S196 PolarHBondContact OG-O 2.9Å; S171-S196 WeakPolarHBondContact CB-O 3.43Å; S171-S196 PolarHBondContact N-O 3.31Å; S171-S196 PolarHBondContact OG-O 2.85Å
197	T	96.8	Very high	92.7	Very high	98 Å²	98	60.1 Å²	60.1	60%	0.601	35%	0.35	S	S	*	.			trans	-110.9	14.9	-169.7	66.2	0	0	0	0	113.3	Y169 S195 L199	Y169-T197 WeakPolarHBondContact CD1-O 3.48Å; S195-T197 VanDerWaalsContact C-N 3.33Å; S195-T197 PolarHBondContact OG-N 2.97Å; S195-T197 PolarHBondContact OG-OG1 3.11Å; T197-L199 PolarHBondContact O-N 3.34Å
198	I	97.6	Very high	93.7	Very high	54 Å²	54	56.9 Å²	56.9	28%	0.277	33%	0.331	S	S	.	.			trans	-74.4	112.1	176.9	-59.4	170.4	0	0	0	107.2	I102 P103 Y169 S170 I200	I102-I198 HydrophobicContact CG1-CG2 4.48Å; I102-I198 HydrophobicContact CG2-CD1 4.3Å; P103-I198 HydrophobicContact CG-CD1 4.04Å; Y169-I198 CarbonylContact C-O 3.54Å; Y169-I198 VanDerWaalsContact CA-O 3.28Å; Y169-I198 WeakPolarHBondContact CA-O 3.43Å; S170-I198 PolarHBondContact N-O 3.1Å; S170-I198 WeakPolarHBondContact OG-CB 3.23Å; S170-I198 PolarHBondContact OG-N 3.37Å; S170-I198 VanDerWaalsContact OG-N 3.14Å; I198-I200 PolarHBondContact O-N 3.37Å
199	L	97.9	Very high	94.5	Very high	56 Å²	56	50 Å²	50	29%	0.293	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	127.2	176.5	-177	70.1	0	0	0	109.3	R98 P167 Y169 T197 N201 K202	R98-L199 PolarHBondContact NH2-O 3.06Å; P167-L199 HydrophobicContact CB-CD1 3.7Å; Y169-L199 HydrophobicContact CD1-CB 4.22Å; Y169-L199 HydrophobicContact CD1-CD1 4.27Å; Y169-L199 HydrophobicContact CE1-CB 4.09Å; Y169-L199 HydrophobicContact CE1-CD1 3.95Å; T197-L199 PolarHBondContact O-N 3.34Å; L199-N201 VanDerWaalsContact CD1-O 3.3Å; L199-N201 WeakPolarHBondContact CD1-O 3.21Å; L199-K202 HydrophobicContact CD1-CG 4.21Å; L199-K202 HydrophobicContact CD2-CG 4.25Å
200	I	96.8	Very high	95.1	Very high	1 Å²	1	50 Å²	50	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-52.2	176	-59.4	174.5	0	0	0	109.4	M90 R98 L99 I102 V168 Y169 I198	M90-I200 WeakPolarHBondContact CE-O 3.36Å; R98-I200 PolarHBondContact NE-O 2.85Å; R98-I200 PolarHBondContact NH1-O 3.21Å; R98-I200 PolarHBondContact NH2-O 3.23Å; L99-I200 HydrophobicContact CD2-CD1 3.83Å; L99-I200 HydrophobicContact CD2-CG2 4.05Å; L99-I200 HydrophobicContact CG-CG2 4.32Å; I102-I200 HydrophobicContact CD1-CD1 3.74Å; I102-I200 HydrophobicContact CD1-CG1 3.9Å; V168-I200 HydrophobicContact CG1-CB 4.36Å; V168-I200 PolarHBondContact O-N 2.76Å; Y169-I200 WeakPolarHBondContact O-CD1 3.35Å; I198-I200 PolarHBondContact O-N 3.37Å
201	N	96.3	Very high	95.5	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.053	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	167.9	-176.7	-151.9	-15.2	0	0	0	111.4	S88 M90 V168 L199 I209	S88-N201 PolarHBondContact OG-ND2 3.25Å; M90-N201 HydrophobicContact CE-CB 3.64Å; M90-N201 WeakPolarHBondContact CE-ND2 3.28Å; V168-N201 HydrophobicContact CB-CB 4.35Å; V168-N201 PolarHBondContact N-O 3.46Å; V168-N201 PolarHBondContact O-N 2.88Å; L199-N201 VanDerWaalsContact CD1-O 3.3Å; L199-N201 WeakPolarHBondContact CD1-O 3.21Å; N201-I209 HydrophobicContact CB-CD1 3.99Å; N201-I209 WeakPolarHBondContact ND2-CD1 3.18Å
202	K	95.3	Very high	95.8	Very high	89 Å²	89	49.8 Å²	49.8	39%	0.387	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119.2	168.1	-68.7	-176.4	176.4	-167.1	0	108	Y165 L166 L199	Y165-K202 HydrophobicContact CD2-CB 4.2Å; Y165-K202 HydrophobicContact CD2-CD 3.64Å; Y165-K202 HydrophobicContact CD2-CG 3.92Å; Y165-K202 HydrophobicContact CE2-CD 3.74Å; Y165-K202 HydrophobicContact CE2-CG 4.32Å; Y165-K202 HydrophobicContact CG-CB 4.48Å; Y165-K202 HydrophobicContact CG-CD 4.17Å; Y165-K202 PolarHBondContact OH-NZ 3.37Å; L166-K202 WeakPolarHBondContact O-CA 3.29Å; L199-K202 HydrophobicContact CD1-CG 4.21Å; L199-K202 HydrophobicContact CD2-CG 4.25Å
203	L	95.6	Very high	96.1	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	133.6	-178.6	-61.9	-175	0	0	0	110.4	V139 F141 Y165 L166 V168 D207 I209	V139-L203 HydrophobicContact CB-CD1 4.44Å; V139-L203 HydrophobicContact CG2-CD1 4.03Å; F141-L203 HydrophobicContact CB-CB 4.11Å; F141-L203 WeakPolarHBondContact CD1-O 3.35Å; Y165-L203 CarbonylContact C-O 3.54Å; Y165-L203 VanDerWaalsContact CA-O 3.25Å; Y165-L203 WeakPolarHBondContact CA-O 3.26Å; L166-L203 HydrophobicContact CB-CB 4.28Å; L166-L203 PolarHBondContact N-O 2.86Å; L166-L203 PolarHBondContact O-N 3.2Å; V168-L203 HydrophobicContact CG2-CD1 3.75Å; V168-L203 HydrophobicContact CG2-CD2 4.48Å; V168-L203 HydrophobicContact CG2-CG 3.72Å; L203-D207 HydrophobicContact CB-CB 3.93Å; L203-D207 HydrophobicContact CD2-CB 3.89Å; L203-D207 HydrophobicContact CG-CB 4.37Å; L203-I209 HydrophobicContact CD2-CD1 3.68Å; L203-I209 HydrophobicContact CD2-CG1 3.93Å
204	A	93.5	Very high	96.2	Very high	47 Å²	47	45 Å²	45	39%	0.388	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-76.7	165.4	164.3	0	0	0	0	0	110.2	F141 G206 D207	F141-A204 VanDerWaalsContact CD1-C 3.42Å; F141-A204 WeakPolarHBondContact CD1-O 3.26Å; A204-G206 PolarHBondContact O-N 2.93Å; A204-D207 WeakPolarHBondContact CB-OD2 3.36Å; A204-D207 PolarHBondContact N-OD2 2.8Å; A204-D207 WeakPolarHBondContact O-CB 3.5Å; A204-D207 PolarHBondContact O-N 2.99Å
205	L	93	Very high	96.4	Very high	105 Å²	105	42.5 Å²	42.5	55%	0.55	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	121.7	178.1	-177.4	69.7	0	0	0	109.9	F141	F141-L205 HydrophobicContact CD1-CB 4.25Å; F141-L205 HydrophobicContact CD1-CD1 4.46Å; F141-L205 HydrophobicContact CD2-CD1 4.14Å; F141-L205 HydrophobicContact CE1-CB 4.08Å; F141-L205 HydrophobicContact CE1-CD1 4.31Å; F141-L205 HydrophobicContact CE2-CD1 4Å; F141-L205 HydrophobicContact CG-CD1 4.35Å; F141-L205 HydrophobicContact CZ-CD1 4.08Å
206	G	92.9	Very high	96.5	Very high	55 Å²	55	41 Å²	41	57%	0.567	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	99.1	-12.7	-174.4	0	0	0	0	0	114.2	F141 A204	F141-G206 PolarHBondContact O-N 3.04Å; A204-G206 PolarHBondContact O-N 2.93Å
207	D	96	Very high	96.6	Very high	28 Å²	28	38.8 Å²	38.8	15%	0.15	22%	0.215	C	C	.	.			trans	-77.4	148.7	178.8	-62.1	-7	0	0	0	111.3	T87 G140 F141 L203 A204	T87-D207 VanDerWaalsContact OG1-CA 3.28Å; T87-D207 WeakPolarHBondContact OG1-CA 3.16Å; G140-D207 CarbonylContact C-O 3.59Å; G140-D207 WeakPolarHBondContact CA-O 3.46Å; F141-D207 PolarHBondContact N-O 2.68Å; L203-D207 HydrophobicContact CB-CB 3.93Å; L203-D207 HydrophobicContact CD2-CB 3.89Å; L203-D207 HydrophobicContact CG-CB 4.37Å; A204-D207 WeakPolarHBondContact CB-OD2 3.36Å; A204-D207 PolarHBondContact N-OD2 2.8Å; A204-D207 WeakPolarHBondContact O-CB 3.5Å; A204-D207 PolarHBondContact O-N 2.99Å
208	E	96.6	Very high	96.6	Very high	89 Å²	89	34.3 Å²	34.3	42%	0.416	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	151.4	179	61.4	-178.5	-167.4	0	0	110.8	Q85 T87 V139	Q85-E208 HydrophobicContact CG-CG 3.77Å; Q85-E208 WeakPolarHBondContact CG-OE1 3.46Å; Q85-E208 PolarHBondContact NE2-OE1 3.23Å; T87-E208 HydrophobicContact CG2-CG 4.19Å; T87-E208 PolarHBondContact N-O 3.11Å; T87-E208 PolarHBondContact OG1-N 3.36Å; T87-E208 PolarHBondContact OG1-O 3.36Å; V139-E208 CarbonylContact O-C 3.55Å; V139-E208 VanDerWaalsContact O-CA 3.3Å; V139-E208 WeakPolarHBondContact O-CA 3.47Å
209	I	97.7	Very high	96.5	Very high	3 Å²	3	32 Å²	32	2%	0.015	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.6	173.5	-62.7	168.7	0	0	0	107.6	Q85 M95 L137 C138 V139 N201 L203 A211	Q85-I209 WeakPolarHBondContact O-CA 3.48Å; M95-I209 HydrophobicContact CE-CG2 4.23Å; M95-I209 HydrophobicContact SD-CD1 3.82Å; M95-I209 HydrophobicContact SD-CG1 4.31Å; M95-I209 HydrophobicContact SD-CG2 3.89Å; L137-I209 HydrophobicContact CD2-CG2 3.95Å; L137-I209 HydrophobicContact CG-CG2 4.27Å; C138-I209 WeakPolarHBondContact CA-O 3.41Å; V139-I209 HydrophobicContact CG2-CB 3.88Å; V139-I209 HydrophobicContact CG2-CD1 4.49Å; V139-I209 PolarHBondContact N-O 3.31Å; V139-I209 PolarHBondContact O-N 2.96Å; N201-I209 HydrophobicContact CB-CD1 3.99Å; N201-I209 WeakPolarHBondContact ND2-CD1 3.18Å; L203-I209 HydrophobicContact CD2-CD1 3.68Å; L203-I209 HydrophobicContact CD2-CG1 3.93Å; I209-A211 HydrophobicContact CG2-CB 4.45Å
210	E	98.1	Very high	96.4	Very high	102 Å²	102	30 Å²	30	48%	0.477	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	111.8	168.8	-173.3	179.6	-165.4	0	0	108.4	S84 Q85 L137	S84-E210 PolarHBondContact N-O 2.81Å; Q85-E210 HydrophobicContact CB-CB 4.03Å; Q85-E210 PolarHBondContact N-O 3.38Å; Q85-E210 VanDerWaalsContact N-O 3.09Å; Q85-E210 PolarHBondContact O-N 3.49Å; L137-E210 WeakPolarHBondContact O-CA 3.18Å
211	A	98	Very high	96.3	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.025	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	146.3	179.6	0	0	0	0	0	112.3	V81 Y82 V83 L137 I209	V81-A211 HydrophobicContact CG1-CB 3.98Å; Y82-A211 CarbonylContact O-C 3.49Å; Y82-A211 WeakPolarHBondContact O-CA 3.27Å; V83-A211 HydrophobicContact CG2-CB 4.43Å; L137-A211 PolarHBondContact N-O 3.01Å; L137-A211 PolarHBondContact O-N 3.38Å; I209-A211 HydrophobicContact CG2-CB 4.45Å
212	R	98	Very high	96.1	Very high	40 Å²	40	36.1 Å²	36.1	15%	0.151	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.9	170.5	176.7	162.9	-71.7	161.4	4	110.2	V81 Y82 D122 V134 Y135 D136	V81-R212 CarbonylContact C-O 3.59Å; V81-R212 VanDerWaalsContact CA-O 3.32Å; V81-R212 WeakPolarHBondContact CA-O 3.38Å; Y82-R212 HydrophobicContact CD2-CB 4.39Å; Y82-R212 HydrophobicContact CD2-CG 4.38Å; Y82-R212 WeakPolarHBondContact CD2-O 3.42Å; Y82-R212 PolarHBondContact N-O 2.88Å; Y82-R212 PolarHBondContact O-N 3.02Å; D122-R212 WeakPolarHBondContact O-CD 3.21Å; D122-R212 PolarHBondContact O-NH1 3.48Å; V134-R212 HydrophobicContact CG1-CG 3.7Å; Y135-R212 CarbonylContact O-C 3.5Å; D136-R212 WeakPolarHBondContact OD1-CG 3.48Å; D136-R212 IonicContact OD1-CZ 3.47Å; D136-R212 IonicContact OD1-NE 2.74Å; D136-R212 PolarHBondContact OD1-NE 3.32Å; D136-R212 IonicContact OD1-NH2 3.4Å; D136-R212 PolarHBondContact OD1-NH2 2.9Å; D136-R212 IonicContact OD2-CZ 3.78Å; D136-R212 IonicContact OD2-NE 2.83Å; D136-R212 IonicContact OD2-NH2 3.31Å; D136-R212 PolarHBondContact OD2-NH2 2.87Å
213	C	98	Very high	96.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.7	-179.1	-56.8	0	0	0	0	110.1	I78 V134 Y135	I78-C213 HydrophobicContact CD1-CB 3.87Å; I78-C213 HydrophobicContact CG1-CB 4.19Å; I78-C213 HydrophobicContact CG2-CB 3.95Å; V134-C213 CarbonylContact C-O 3.53Å; V134-C213 WeakPolarHBondContact CA-O 3.4Å; Y135-C213 PolarHBondContact N-O 3.31Å; Y135-C213 PolarHBondContact O-N 3.26Å
214	V	97.8	Very high	96	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.3	178.7	-179.8	0	0	0	0	109.4	E79 R80 Y82 F127 H132 L133 V134	E79-V214 PolarHBondContact N-O 3.26Å; R80-V214 HydrophobicContact CB-CB 4.41Å; R80-V214 PolarHBondContact N-O 3.15Å; R80-V214 PolarHBondContact O-N 3.04Å; Y82-V214 HydrophobicContact CD2-CG2 4.3Å; Y82-V214 HydrophobicContact CE2-CB 4.44Å; Y82-V214 HydrophobicContact CE2-CG2 3.67Å; F127-V214 HydrophobicContact CD1-CG1 4.33Å; F127-V214 HydrophobicContact CD1-CG2 4.29Å; F127-V214 HydrophobicContact CE1-CG1 4.29Å; F127-V214 HydrophobicContact CE1-CG2 3.63Å; F127-V214 HydrophobicContact CE2-CG2 4.24Å; F127-V214 HydrophobicContact CZ-CG2 3.63Å; H132-V214 HydrophobicContact CB-CG1 4Å; L133-V214 WeakPolarHBondContact O-CA 3.33Å; V134-V214 HydrophobicContact CG2-CG2 4.31Å
215	A	97.9	Very high	96.2	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	143.3	174	0	0	0	0	0	111.4	A77 I78 L104 L133 Y135	A77-A215 WeakPolarHBondContact O-CA 2.94Å; A77-A215 WeakPolarHBondContact O-CB 3.44Å; I78-A215 HydrophobicContact CG1-CB 4.18Å; L104-A215 HydrophobicContact CD1-CB 3.52Å; L133-A215 HydrophobicContact CB-CB 4.25Å; L133-A215 PolarHBondContact N-O 2.95Å; L133-A215 PolarHBondContact O-N 3.44Å; Y135-A215 HydrophobicContact CE2-CB 4.44Å
216	V	97.3	Very high	96.3	Very high	7 Å²	7	34.5 Å²	34.5	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	162.9	178.1	-55.1	0	0	0	0	109.8	L76 A77 E79 P114 P118 F226	L76-V216 WeakPolarHBondContact CA-O 3.43Å; A77-V216 PolarHBondContact N-O 3.29Å; A77-V216 PolarHBondContact O-N 2.85Å; E79-V216 HydrophobicContact CB-CG1 4.36Å; E79-V216 HydrophobicContact CB-CG2 3.65Å; E79-V216 HydrophobicContact CG-CG2 4.03Å; P114-V216 HydrophobicContact CG-CB 4.16Å; P114-V216 HydrophobicContact CG-CG2 4.26Å; P118-V216 HydrophobicContact CG-CG1 4.15Å; V216-F226 HydrophobicContact CG2-CE1 4.31Å; V216-F226 HydrophobicContact CG2-CZ 4.13Å; V216-F226 WeakPolarHBondContact O-CE1 3.47Å
217	K	97.2	Very high	96.5	Very high	27 Å²	27	32.7 Å²	32.7	12%	0.117	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	129.7	173.1	-176.9	176	176.9	167.6	0	110.6	P74 S75 P108 F111 F113 P114	P74-K217 HydrophobicContact CB-CG 4.26Å; S75-K217 WeakPolarHBondContact O-CA 3.38Å; P108-K217 HydrophobicContact CB-CD 4.15Å; P108-K217 HydrophobicContact CB-CG 4.18Å; P108-K217 WeakPolarHBondContact O-CD 3.27Å; P108-K217 WeakPolarHBondContact O-CE 3.39Å; P108-K217 PolarHBondContact O-NZ 3.22Å; F111-K217 HydrophobicContact CB-CB 4.35Å; F111-K217 HydrophobicContact CB-CD 4.37Å; F111-K217 WeakPolarHBondContact O-CD 3.38Å; F111-K217 PolarHBondContact O-NZ 2.95Å; F113-K217 HydrophobicContact CD1-CB 4.42Å; F113-K217 HydrophobicContact CD1-CD 4.28Å; F113-K217 HydrophobicContact CD1-CG 3.91Å; F113-K217 HydrophobicContact CD2-CD 4.29Å; F113-K217 HydrophobicContact CE1-CD 4.32Å; F113-K217 HydrophobicContact CE1-CG 3.84Å; F113-K217 HydrophobicContact CE2-CD 4.32Å; F113-K217 HydrophobicContact CG-CD 4.29Å; F113-K217 HydrophobicContact CG-CG 4.39Å; F113-K217 HydrophobicContact CZ-CD 4.36Å; F113-K217 HydrophobicContact CZ-CG 4.27Å; P114-K217 WeakPolarHBondContact CD-O 3.27Å
218	G	96.8	Very high	96.6	Very high	4 Å²	4	31.4 Å²	31.4	4%	0.041	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	-173.9	176.6	0	0	0	0	0	111.9	P74 S75	P74-G218 CarbonylContact C-O 3.4Å; P74-G218 VanDerWaalsContact CA-O 3.28Å; P74-G218 WeakPolarHBondContact CA-O 3.37Å; S75-G218 PolarHBondContact N-O 3.18Å; S75-G218 PolarHBondContact O-N 2.9Å
219	I	96.8	Very high	96.6	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.026	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	153.1	176.7	67.3	172.4	0	0	0	111.5	S71 P74 F113 R221 D222 F226 R387	S71-I219 WeakPolarHBondContact O-CB 3.41Å; P74-I219 HydrophobicContact CB-CG2 4.41Å; P74-I219 HydrophobicContact CG-CG2 4.37Å; F113-I219 HydrophobicContact CE1-CG2 3.91Å; F113-I219 HydrophobicContact CZ-CG2 3.99Å; I219-R221 HydrophobicContact CD1-CB 3.91Å; I219-R221 HydrophobicContact CG1-CB 4.07Å; I219-R221 PolarHBondContact O-N 3.18Å; I219-D222 PolarHBondContact O-N 3.38Å; I219-F226 WeakPolarHBondContact O-CB 3.4Å; I219-R387 HydrophobicContact CD1-CG 4.01Å
220	G	95.7	Very high	96.4	Very high	14 Å²	14	30.5 Å²	30.5	14%	0.144	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-19.5	-177.1	0	0	0	0	0	115.3	S71 D222 H223	S71-G220 CarbonylContact O-C 3.35Å; S71-G220 PolarHBondContact O-N 2.91Å; S71-G220 VanDerWaalsContact O-N 3.13Å; G220-D222 VanDerWaalsContact C-N 3.32Å; G220-H223 WeakPolarHBondContact CA-O 3.49Å; G220-H223 CarbonylContact O-C 3.32Å
221	R	93.5	Very high	96.2	Very high	57 Å²	57	26.8 Å²	26.8	22%	0.215	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-31.6	175	-164.2	-179.4	176.5	126	-2.4	112.3	S71 E72 I219 R387 D411 D441	S71-R221 WeakPolarHBondContact O-CB 3.3Å; S71-R221 PolarHBondContact O-N 3.02Å; E72-R221 IonicContact OE1-NH1 3Å; I219-R221 HydrophobicContact CD1-CB 3.91Å; I219-R221 HydrophobicContact CG1-CB 4.07Å; I219-R221 PolarHBondContact O-N 3.18Å; R221-R387 VanDerWaalsContact CD-NH1 3.28Å; R221-R387 VanDerWaalsContact CG-NH1 3.25Å; R221-D411 IonicContact CZ-OD2 3.83Å; R221-D411 IonicContact NH1-OD1 3.23Å; R221-D411 PolarHBondContact NH1-OD1 2.92Å; R221-D411 IonicContact NH1-OD2 3.17Å; R221-D411 PolarHBondContact NH1-OD2 3.32Å; R221-D441 IonicContact CZ-OD1 3.12Å; R221-D441 IonicContact NE-OD1 2.68Å; R221-D441 PolarHBondContact NE-OD1 3.08Å; R221-D441 IonicContact NH2-OD1 2.77Å; R221-D441 PolarHBondContact NH2-OD1 3.01Å
222	D	92.1	Very high	96.2	Very high	83 Å²	83	27.2 Å²	27.2	44%	0.444	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-43	179	-59	-24.7	0	0	0	110.5	I219 G220 R387	I219-D222 PolarHBondContact O-N 3.38Å; G220-D222 VanDerWaalsContact C-N 3.32Å; D222-R387 IonicContact OD1-CZ 3.49Å; D222-R387 IonicContact OD1-NE 3.75Å; D222-R387 IonicContact OD1-NH1 2.66Å; D222-R387 PolarHBondContact OD1-NH1 3.49Å
223	H	95	Very high	96.1	Very high	77 Å²	77	31.5 Å²	31.5	36%	0.356	18%	0.18	S	C	.	.			trans	-159.3	142.6	175.6	-166.9	-88.1	0	0	0	110.5	G220 K225 F226	G220-H223 WeakPolarHBondContact CA-O 3.49Å; G220-H223 CarbonylContact O-C 3.32Å; H223-K225 HydrophobicContact CB-CD 4.46Å; H223-K225 HydrophobicContact CB-CG 4.07Å; H223-K225 VanDerWaalsContact ND1-CB 3.33Å; H223-K225 WeakPolarHBondContact ND1-CB 3.19Å; H223-K225 WeakPolarHBondContact ND1-CD 3.38Å; H223-K225 WeakPolarHBondContact ND1-CG 3.44Å; H223-K225 PolarHBondContact ND1-N 2.97Å; H223-K225 VanDerWaalsContact ND1-N 3.14Å; H223-K225 PolarHBondContact O-N 3.18Å; H223-F226 HydrophobicContact CB-CD2 4.1Å; H223-F226 HydrophobicContact CB-CE2 4.38Å; H223-F226 PolarHBondContact O-N 3.36Å
224	A	94.9	Very high	96	Very high	80 Å²	80	34.1 Å²	34.1	66%	0.661	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-57.3	-25.8	-178.3	0	0	0	0	0	113.8	F226 S227	A224-F226 PolarHBondContact O-N 2.94Å; A224-F226 VanDerWaalsContact O-N 3.16Å; A224-S227 VanDerWaalsContact O-CB 3.28Å; A224-S227 WeakPolarHBondContact O-CB 3.37Å; A224-S227 PolarHBondContact O-N 3.38Å
225	K	96.2	Very high	95.8	Very high	41 Å²	41	37.1 Å²	37.1	18%	0.178	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-57.5	-25.6	175.3	75.3	-171.3	170.2	178.9	0	114.2	A77 I78 E79 G100 L101 H223	A77-K225 HydrophobicContact CB-CB 4.19Å; A77-K225 HydrophobicContact CB-CD 4.16Å; A77-K225 HydrophobicContact CB-CG 3.77Å; I78-K225 PolarHBondContact O-NZ 3.27Å; E79-K225 IonicContact OE1-NZ 3.44Å; E79-K225 WeakPolarHBondContact OE2-CE 3.38Å; E79-K225 IonicContact OE2-NZ 2.8Å; E79-K225 PolarHBondContact OE2-NZ 3.49Å; G100-K225 WeakPolarHBondContact O-CB 3.41Å; L101-K225 HydrophobicContact CD2-CB 3.96Å; H223-K225 HydrophobicContact CB-CD 4.46Å; H223-K225 HydrophobicContact CB-CG 4.07Å; H223-K225 VanDerWaalsContact ND1-CB 3.33Å; H223-K225 WeakPolarHBondContact ND1-CB 3.19Å; H223-K225 WeakPolarHBondContact ND1-CD 3.38Å; H223-K225 WeakPolarHBondContact ND1-CG 3.44Å; H223-K225 PolarHBondContact ND1-N 2.97Å; H223-K225 VanDerWaalsContact ND1-N 3.14Å; H223-K225 PolarHBondContact O-N 3.18Å
226	F	97	Very high	95.6	Very high	9 Å²	9	39.4 Å²	39.4	4%	0.039	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-89.9	1	177.2	-64.7	-67.1	0	0	0	113	S75 A77 V216 I219 H223 A224 P228	S75-F226 WeakPolarHBondContact CB-O 3.32Å; A77-F226 HydrophobicContact CB-CD1 3.64Å; A77-F226 HydrophobicContact CB-CE1 3.58Å; A77-F226 HydrophobicContact CB-CG 4.43Å; A77-F226 HydrophobicContact CB-CZ 4.34Å; V216-F226 HydrophobicContact CG2-CE1 4.31Å; V216-F226 HydrophobicContact CG2-CZ 4.13Å; V216-F226 WeakPolarHBondContact O-CE1 3.47Å; I219-F226 WeakPolarHBondContact O-CB 3.4Å; H223-F226 HydrophobicContact CB-CD2 4.1Å; H223-F226 HydrophobicContact CB-CE2 4.38Å; H223-F226 PolarHBondContact O-N 3.36Å; A224-F226 PolarHBondContact O-N 2.94Å; A224-F226 VanDerWaalsContact O-N 3.16Å; F226-P228 WeakPolarHBondContact O-CD 3.47Å
227	S	96.9	Very high	95.4	Very high	18 Å²	18	41 Å²	41	13%	0.126	22%	0.22	C	C	.	.			trans	-73.4	122.4	176.5	-160.8	0	0	0	0	110.3	V70 A224 V229	V70-S227 PolarHBondContact O-OG 3.07Å; A224-S227 VanDerWaalsContact O-CB 3.28Å; A224-S227 WeakPolarHBondContact O-CB 3.37Å; A224-S227 PolarHBondContact O-N 3.38Å; S227-V229 VanDerWaalsContact C-N 3.29Å
228	P	96.6	Very high	95.2	Very high	1 Å²	1	40 Å²	40	1%	0.006	22%	0.217	C	C	.	.			trans	-87.2	0.6	-179.4	35.6	-34.6	0	0	0	113.4	V73 F226 T312 I313 L323	V73-P228 HydrophobicContact CB-CG 3.8Å; V73-P228 HydrophobicContact CG1-CG 3.61Å; F226-P228 WeakPolarHBondContact O-CD 3.47Å; P228-T312 PolarHBondContact O-OG1 2.72Å; P228-I313 PolarHBondContact O-N 2.87Å; P228-L323 HydrophobicContact CB-CD1 4.32Å; P228-L323 HydrophobicContact CB-CD2 3.9Å; P228-L323 HydrophobicContact CG-CD2 4.08Å; P228-L323 WeakPolarHBondContact O-CD1 3.44Å
229	V	96.5	Very high	94.9	Very high	10 Å²	10	41 Å²	41	6%	0.061	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.7	177.9	-65.6	0	0	0	0	109.6	L69 V70 S227 A232 V310 E311 L323	L69-V229 HydrophobicContact CB-CG1 4.38Å; L69-V229 HydrophobicContact CD2-CG1 4.27Å; L69-V229 WeakPolarHBondContact O-CG2 3.5Å; V70-V229 HydrophobicContact CB-CG2 4.39Å; V70-V229 HydrophobicContact CG2-CG2 3.94Å; S227-V229 VanDerWaalsContact C-N 3.29Å; V229-A232 HydrophobicContact CG2-CB 4.23Å; V229-V310 HydrophobicContact CG1-CG1 3.97Å; V229-E311 CarbonylContact C-O 3.54Å; V229-E311 WeakPolarHBondContact CA-O 3.35Å; V229-E311 WeakPolarHBondContact CB-O 3.4Å; V229-L323 HydrophobicContact CG1-CD1 3.6Å
230	A	94.4	Very high	94.6	Very high	62 Å²	62	41.4 Å²	41.4	51%	0.512	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-41.6	167.5	0	0	0	0	0	110	E311 I313	A230-E311 HydrophobicContact CB-CB 4.32Å; A230-E311 HydrophobicContact CB-CG 3.95Å; A230-E311 PolarHBondContact N-O 2.87Å; A230-I313 HydrophobicContact CB-CG2 4.07Å
231	A	94.9	Very high	94.4	Very high	25 Å²	25	44 Å²	44	21%	0.207	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	137.2	177.1	0	0	0	0	0	111.1	Y233 E311	A231-Y233 HydrophobicContact CB-CD1 4.23Å; A231-Y233 HydrophobicContact CB-CE1 4.21Å; A231-E311 HydrophobicContact CB-CB 4.04Å; A231-E311 PolarHBondContact O-N 2.93Å
232	A	97	Very high	94.4	Very high	11 Å²	11	43.4 Å²	43.4	9%	0.091	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	110.3	169.1	0	0	0	0	0	108.8	R66 L69 V70 V229 T309	R66-A232 WeakPolarHBondContact CG-O 3.39Å; L69-A232 HydrophobicContact CB-CB 4.01Å; L69-A232 HydrophobicContact CD1-CB 4.13Å; V70-A232 HydrophobicContact CG2-CB 4Å; V229-A232 HydrophobicContact CG2-CB 4.23Å; A232-T309 WeakPolarHBondContact CA-O 3.44Å
233	Y	96.5	Very high	94.3	Very high	130 Å²	130	43.3 Å²	43.3	51%	0.51	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	165	-178.6	62.3	-89	0	0	0	110.6	A231 T309	A231-Y233 HydrophobicContact CB-CD1 4.23Å; A231-Y233 HydrophobicContact CB-CE1 4.21Å; Y233-T309 HydrophobicContact CE1-CG2 4.04Å; Y233-T309 PolarHBondContact N-O 3.32Å; Y233-T309 VanDerWaalsContact N-O 3.12Å; Y233-T309 PolarHBondContact O-N 3.06Å
234	Y	95.4	Very high	94.1	Very high	56 Å²	56	43.9 Å²	43.9	22%	0.22	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	153.6	173.3	68.3	-87.9	0	0	0	110.4	A62 N63 R66 F236 C306 I307 F308	A62-Y234 HydrophobicContact CB-CD1 4.36Å; A62-Y234 HydrophobicContact CB-CD2 4.43Å; A62-Y234 HydrophobicContact CB-CE1 4.33Å; A62-Y234 HydrophobicContact CB-CE2 4.4Å; A62-Y234 HydrophobicContact CB-CG 4.42Å; N63-Y234 HydrophobicContact CB-CE1 4.14Å; R66-Y234 HydrophobicContact CB-CD1 4.3Å; R66-Y234 HydrophobicContact CB-CE1 4.42Å; R66-Y234 HydrophobicContact CG-CD1 4.48Å; Y234-F236 HydrophobicContact CD2-CE1 4.35Å; Y234-F236 HydrophobicContact CE2-CD1 4.39Å; Y234-F236 AromaticContact CE2-CE1 3.76Å; Y234-F236 HydrophobicContact CE2-CE1 3.76Å; Y234-F236 HydrophobicContact CE2-CZ 4Å; Y234-C306 HydrophobicContact CD2-CB 4.22Å; Y234-I307 CarbonylContact C-O 3.59Å; Y234-I307 WeakPolarHBondContact CA-O 3.3Å; Y234-I307 WeakPolarHBondContact CB-O 3.28Å; Y234-F308 VanDerWaalsContact CB-CD2 3.47Å; Y234-F308 HydrophobicContact CD1-CD2 4.31Å; Y234-F308 AromaticContact CD1-CE2 3.8Å; Y234-F308 HydrophobicContact CD1-CE2 3.8Å; Y234-F308 HydrophobicContact CG-CD2 4.17Å; Y234-F308 HydrophobicContact CG-CE2 4.12Å
235	K	93.8	Very high	94	Very high	63 Å²	63	44.7 Å²	44.7	27%	0.274	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	153	167.3	65	176.8	-175.1	166.1	0	109.6	R278 D280 N281 I307	K235-R278 PolarHBondContact NZ-O 3.38Å; K235-D280 PolarHBondContact NZ-O 3.07Å; K235-N281 PolarHBondContact NZ-OD1 3.28Å; K235-N281 VanDerWaalsContact NZ-OD1 3.09Å; K235-I307 HydrophobicContact CG-CB 3.86Å; K235-I307 HydrophobicContact CG-CD1 4.19Å; K235-I307 HydrophobicContact CG-CG2 4.28Å; K235-I307 PolarHBondContact N-O 3.48Å; K235-I307 PolarHBondContact O-N 2.99Å
236	F	93.2	Very high	93.8	Very high	47 Å²	47	42.8 Å²	42.8	21%	0.206	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	146.8	169.4	-63.1	-48.4	0	0	0	109.8	C59 Y234 P238 M301 D302 H305	C59-F236 HydrophobicContact CB-CE1 3.69Å; C59-F236 HydrophobicContact CB-CZ 3.64Å; Y234-F236 HydrophobicContact CD2-CE1 4.35Å; Y234-F236 HydrophobicContact CE2-CD1 4.39Å; Y234-F236 AromaticContact CE2-CE1 3.76Å; Y234-F236 HydrophobicContact CE2-CE1 3.76Å; Y234-F236 HydrophobicContact CE2-CZ 4Å; F236-P238 VanDerWaalsContact O-CD 3.32Å; F236-P238 WeakPolarHBondContact O-CD 3.29Å; F236-M301 HydrophobicContact CB-CB 3.85Å; F236-M301 HydrophobicContact CB-CG 4.32Å; F236-M301 HydrophobicContact CB-SD 4.22Å; F236-M301 HydrophobicContact CD2-SD 4.45Å; F236-D302 WeakPolarHBondContact CB-O 3.28Å; F236-H305 CarbonylContact C-O 3.57Å; F236-H305 WeakPolarHBondContact CA-O 3.48Å
237	H	92.5	Very high	93.7	Very high	42 Å²	42	47.5 Å²	47.5	19%	0.194	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	122.7	178.1	-171.4	-75.1	0	0	0	109.6	M301 D302 H305 I307	H237-M301 WeakPolarHBondContact O-CA 3.46Å; H237-D302 HydrophobicContact CB-CB 4.48Å; H237-D302 PolarHBondContact O-N 3.36Å; H237-H305 HydrophobicContact CB-CB 3.66Å; H237-H305 AromaticContact CD2-CE1 3.19Å; H237-H305 PolarHBondContact CD2-CE1 3.3Å; H237-H305 AromaticContact CD2-ND1 3.54Å; H237-H305 AromaticContact CD2-NE2 3.58Å; H237-H305 AromaticContact CG-CE1 3.68Å; H237-H305 AromaticContact CG-CG 3.93Å; H237-H305 AromaticContact CG-ND1 3.52Å; H237-H305 PolarHBondContact N-O 2.85Å; H237-H305 AromaticContact NE2-CE1 3.99Å; H237-I307 HydrophobicContact CB-CD1 4.34Å
238	P	92.7	Very high	93.5	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.039	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	138.7	177.6	-19.6	32.6	0	0	0	110.9	F236 A277 D280	F236-P238 VanDerWaalsContact O-CD 3.32Å; F236-P238 WeakPolarHBondContact O-CD 3.29Å; P238-A277 WeakPolarHBondContact CB-O 3.44Å; P238-A277 WeakPolarHBondContact CG-O 3.49Å; P238-A277 WeakPolarHBondContact O-CB 3.41Å; P238-D280 HydrophobicContact CB-CB 4.17Å; P238-D280 HydrophobicContact CG-CB 4.25Å; P238-D280 WeakPolarHBondContact CG-O 3.19Å
239	I	91	Very high	93.4	Very high	25 Å²	25	57.1 Å²	57.1	13%	0.128	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.1	170.2	-63.3	168	0	0	0	107.1	H20 K241 F298 V299 G300 D302	H20-I239 HydrophobicContact CB-CD1 4.01Å; I239-K241 HydrophobicContact CG2-CD 4.38Å; I239-K241 HydrophobicContact CG2-CG 3.99Å; I239-F298 HydrophobicContact CB-CE1 4.19Å; I239-F298 HydrophobicContact CG2-CD1 4.1Å; I239-F298 HydrophobicContact CG2-CE1 3.85Å; I239-V299 WeakPolarHBondContact O-CA 3.3Å; I239-G300 PolarHBondContact N-O 3Å; I239-G300 PolarHBondContact O-N 3.39Å; I239-D302 HydrophobicContact CD1-CB 3.75Å; I239-D302 HydrophobicContact CG1-CB 4.19Å
240	I	91.6	Very high	93.2	Very high	13 Å²	13	60.4 Å²	60.4	7%	0.067	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.2	171.6	-55.9	172.8	0	0	0	107.6	F258 V262 I263 V274 A277 D280 I297 F298 V299	I240-F258 HydrophobicContact CD1-CD1 4.24Å; I240-F258 HydrophobicContact CD1-CE1 3.98Å; I240-V262 HydrophobicContact CD1-CG1 3.39Å; I240-I263 HydrophobicContact CG2-CD1 4.35Å; I240-V274 HydrophobicContact CB-CG1 4.05Å; I240-V274 HydrophobicContact CB-CG2 4Å; I240-V274 HydrophobicContact CG2-CG1 4.49Å; I240-V274 HydrophobicContact CG2-CG2 3.68Å; I240-A277 HydrophobicContact CD1-CB 4.39Å; I240-A277 HydrophobicContact CG1-CB 4.37Å; I240-D280 HydrophobicContact CD1-CB 3.94Å; I240-I297 HydrophobicContact CG2-CG2 4.22Å; I240-F298 CarbonylContact C-O 3.54Å; I240-F298 VanDerWaalsContact CA-O 3.28Å; I240-F298 WeakPolarHBondContact CA-O 3.02Å; I240-V299 HydrophobicContact CG1-CG1 4.44Å; I240-V299 HydrophobicContact CG1-CG2 4.49Å
241	K	91.4	Very high	93.3	Very high	69 Å²	69	57.5 Å²	57.5	30%	0.3	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125	173.3	-58.9	-178.1	-179.7	-175.9	0	109.7	H20 I239 L243 F298	H20-K241 PolarHBondContact CD2-NZ 2.97Å; H20-K241 PolarHBondContact NE2-NZ 3.41Å; I239-K241 HydrophobicContact CG2-CD 4.38Å; I239-K241 HydrophobicContact CG2-CG 3.99Å; K241-L243 HydrophobicContact CB-CD2 4.48Å; K241-L243 PolarHBondContact O-N 3.12Å; K241-F298 HydrophobicContact CB-CB 4.22Å; K241-F298 HydrophobicContact CG-CD1 4.4Å; K241-F298 PolarHBondContact N-O 2.94Å; K241-F298 PolarHBondContact O-N 2.9Å
242	L	92.4	Very high	93.3	Very high	43 Å²	43	60.2 Å²	60.2	23%	0.225	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	112.4	170.5	-51.4	-176.7	0	0	0	107.5	R244 L254 A272 V274 I297	L242-R244 VanDerWaalsContact C-N 3.35Å; L242-L254 HydrophobicContact CD2-CD2 3.91Å; L242-A272 HydrophobicContact CD1-CB 4.05Å; L242-A272 WeakPolarHBondContact CD1-O 3.46Å; L242-V274 HydrophobicContact CD2-CG2 4.43Å; L242-V274 HydrophobicContact CG-CG2 4.08Å; L242-I297 HydrophobicContact CD2-CG1 3.8Å; L242-I297 HydrophobicContact CD2-CG2 4.22Å
243	L	91.3	Very high	93.2	Very high	82 Å²	82	63.5 Å²	63.5	43%	0.429	31%	0.307	S	S	.	.	S	Bend	trans	-83	-20.3	-176.1	-60.8	177.4	0	0	0	111.8	K241 D295 V296 F298	K241-L243 HydrophobicContact CB-CD2 4.48Å; K241-L243 PolarHBondContact O-N 3.12Å; L243-D295 VanDerWaalsContact CB-O 3.25Å; L243-D295 WeakPolarHBondContact CB-O 3.47Å; L243-D295 VanDerWaalsContact CD1-O 3.31Å; L243-D295 WeakPolarHBondContact CD1-O 3.48Å; L243-V296 PolarHBondContact N-O 3.3Å; L243-F298 HydrophobicContact CD1-CB 4.32Å; L243-F298 HydrophobicContact CG-CB 4.42Å
244	R	89.4	Confident	93.1	Very high	89 Å²	89	57.3 Å²	57.3	34%	0.336	28%	0.283	S	S	.	.	S	Bend	trans	-125.3	159	170.3	66.2	172.9	-166.6	-170.7	1	110.7	L242 I246 E291 V296	L242-R244 VanDerWaalsContact C-N 3.35Å; R244-I246 HydrophobicContact CG-CD1 4.37Å; R244-I246 HydrophobicContact CG-CG1 3.92Å; R244-I246 PolarHBondContact O-N 3.5Å; R244-E291 VanDerWaalsContact CZ-O 3.27Å; R244-E291 PolarHBondContact NH1-O 3.38Å; R244-E291 PolarHBondContact NH2-O 3.26Å; R244-V296 HydrophobicContact CG-CG1 4Å; R244-V296 VanDerWaalsContact CZ-CG1 3.4Å; R244-V296 VanDerWaalsContact CZ-CG2 3.45Å
245	T	92.5	Very high	93.1	Very high	97 Å²	97	58.3 Å²	58.3	60%	0.595	29%	0.29	S	S	*	.			trans	-69.1	129.9	168.1	-58.7	0	0	0	0	108.8	Q271	T245-Q271 HydrophobicContact CG2-CB 4.46Å; T245-Q271 HydrophobicContact CG2-CG 3.74Å
246	I	93	Very high	93.1	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	31%	0.312	C	S	.	.			trans	-123.5	122.5	179.2	-59.8	171.9	0	0	0	106.7	R244 Q250 A251 L254 Q271 A272 F292 V296 I297	R244-I246 HydrophobicContact CG-CD1 4.37Å; R244-I246 HydrophobicContact CG-CG1 3.92Å; R244-I246 PolarHBondContact O-N 3.5Å; I246-Q250 HydrophobicContact CG2-CB 3.69Å; I246-A251 HydrophobicContact CG2-CB 4.48Å; I246-L254 HydrophobicContact CB-CD2 4.45Å; I246-L254 HydrophobicContact CD1-CD2 3.66Å; I246-L254 HydrophobicContact CG2-CD2 4.27Å; I246-Q271 WeakPolarHBondContact O-CA 3.39Å; I246-A272 HydrophobicContact CB-CB 4.37Å; I246-A272 PolarHBondContact O-N 2.8Å; I246-F292 HydrophobicContact CD1-CD1 4.44Å; I246-F292 HydrophobicContact CG2-CE1 4.22Å; I246-V296 HydrophobicContact CD1-CG1 3.83Å; I246-I297 HydrophobicContact CD1-CD1 3.93Å; I246-I297 HydrophobicContact CD1-CG1 3.9Å
247	E	94.3	Very high	93.1	Very high	108 Å²	108	61.3 Å²	61.3	51%	0.505	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-137.4	169.5	-172.6	63.5	-171.5	-175.8	0	0	112.4	Q250 A251 G270 Q271	E247-Q250 PolarHBondContact O-N 3.14Å; E247-A251 PolarHBondContact O-N 3.11Å; E247-G270 WeakPolarHBondContact CA-O 3.45Å; E247-Q271 HydrophobicContact CB-CG 4.1Å
248	G	93.1	Very high	93.3	Very high	44 Å²	44	60 Å²	60	45%	0.454	30%	0.297	S	S	.	.	H	α-helix	trans	61.7	-137.8	176.2	0	0	0	0	0	113.5	Q250 A251 I252 G270	G248-Q250 PolarHBondContact O-N 2.65Å; G248-A251 WeakPolarHBondContact O-CB 3.08Å; G248-A251 PolarHBondContact O-N 3.33Å; G248-I252 PolarHBondContact O-N 3.35Å; G248-G270 PolarHBondContact N-O 2.85Å
249	E	93.8	Very high	93.3	Very high	176 Å²	176	62.2 Å²	62.2	82%	0.822	32%	0.316	S	S	*	.	H	α-helix	trans	-60.4	-32.3	-179.1	-65	-173.5	170.5	0	0	112.8	A251 I252 K253	E249-A251 VanDerWaalsContact C-N 3.35Å; E249-I252 PolarHBondContact O-N 3.25Å; E249-K253 WeakPolarHBondContact O-CB 3.4Å; E249-K253 PolarHBondContact O-N 3.12Å
250	Q	94.1	Very high	93.4	Very high	80 Å²	80	66.9 Å²	66.9	37%	0.374	35%	0.35	S	S	.	.	H	α-helix	trans	-66.9	-36.5	175.7	-66	-174.2	-11.7	0	0	111.6	I246 E247 G248 K253 L254 F292	I246-Q250 HydrophobicContact CG2-CB 3.69Å; E247-Q250 PolarHBondContact O-N 3.14Å; G248-Q250 PolarHBondContact O-N 2.65Å; Q250-K253 PolarHBondContact O-N 3.46Å; Q250-L254 VanDerWaalsContact O-CB 3.26Å; Q250-L254 WeakPolarHBondContact O-CB 3.33Å; Q250-L254 PolarHBondContact O-N 3.5Å; Q250-F292 HydrophobicContact CB-CE1 4.29Å; Q250-F292 HydrophobicContact CB-CZ 4.5Å; Q250-F292 VanDerWaalsContact O-CZ 3.28Å; Q250-F292 WeakPolarHBondContact O-CZ 3.33Å
251	A	94.9	Very high	93.5	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-64.9	-42.1	175.9	0	0	0	0	0	111.8	I246 E247 G248 E249 L254 Q255 I265 A272	I246-A251 HydrophobicContact CG2-CB 4.48Å; E247-A251 PolarHBondContact O-N 3.11Å; G248-A251 WeakPolarHBondContact O-CB 3.08Å; G248-A251 PolarHBondContact O-N 3.33Å; E249-A251 VanDerWaalsContact C-N 3.35Å; A251-L254 PolarHBondContact O-N 2.87Å; A251-Q255 WeakPolarHBondContact O-CB 3.29Å; A251-Q255 PolarHBondContact O-N 3.47Å; A251-I265 HydrophobicContact CB-CD1 4.14Å; A251-I265 HydrophobicContact CB-CG1 4.27Å; A251-A272 HydrophobicContact CB-CB 3.87Å
252	I	95.2	Very high	93.8	Very high	83 Å²	83	64 Å²	64	43%	0.426	34%	0.344	S	S	.	.	H	α-helix	trans	-64.8	-43.5	176.4	-61.5	170.2	0	0	0	110.7	G248 E249 Q255 K256 I265	G248-I252 PolarHBondContact O-N 3.35Å; E249-I252 PolarHBondContact O-N 3.25Å; I252-Q255 PolarHBondContact O-N 2.95Å; I252-K256 WeakPolarHBondContact O-CG 3.23Å; I252-K256 PolarHBondContact O-N 3.37Å; I252-K256 VanDerWaalsContact O-N 3.1Å; I252-I265 HydrophobicContact CB-CD1 4.39Å; I252-I265 HydrophobicContact CG1-CD1 3.82Å
253	K	94.8	Very high	93.9	Very high	80 Å²	80	62.1 Å²	62.1	35%	0.348	33%	0.334	S	S	.	.	H	α-helix	trans	-63.6	-42.8	177.7	-168.7	175.7	-178.4	-179.1	0	111.4	E249 Q250 K256 S257 H289 E291 F292	E249-K253 WeakPolarHBondContact O-CB 3.4Å; E249-K253 PolarHBondContact O-N 3.12Å; Q250-K253 PolarHBondContact O-N 3.46Å; K253-K256 PolarHBondContact O-N 2.89Å; K253-S257 PolarHBondContact O-N 2.95Å; K253-S257 PolarHBondContact O-OG 2.96Å; K253-S257 VanDerWaalsContact O-OG 3.12Å; K253-H289 WeakPolarHBondContact CE-CE1 3.42Å; K253-H289 WeakPolarHBondContact CE-ND1 3.33Å; K253-E291 VanDerWaalsContact CD-OE1 3.26Å; K253-E291 WeakPolarHBondContact CD-OE1 3.21Å; K253-E291 VanDerWaalsContact CE-OE1 3.27Å; K253-E291 WeakPolarHBondContact CE-OE1 3.49Å; K253-E291 IonicContact NZ-OE1 2.64Å; K253-E291 PolarHBondContact NZ-OE1 3.37Å; K253-E291 IonicContact NZ-OE2 3.8Å; K253-F292 HydrophobicContact CB-CE2 4.31Å; K253-F292 HydrophobicContact CB-CZ 4.14Å; K253-F292 HydrophobicContact CD-CE2 4.43Å; K253-F292 HydrophobicContact CG-CE2 4.08Å; K253-F292 HydrophobicContact CG-CZ 4.34Å
254	L	94.8	Very high	94.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.4	-46.5	175	179.7	62.2	0	0	0	111.7	L242 I246 Q250 A251 K256 S257 F258 I263 A272 H286 F292 I297	L242-L254 HydrophobicContact CD2-CD2 3.91Å; I246-L254 HydrophobicContact CB-CD2 4.45Å; I246-L254 HydrophobicContact CD1-CD2 3.66Å; I246-L254 HydrophobicContact CG2-CD2 4.27Å; Q250-L254 VanDerWaalsContact O-CB 3.26Å; Q250-L254 WeakPolarHBondContact O-CB 3.33Å; Q250-L254 PolarHBondContact O-N 3.5Å; A251-L254 PolarHBondContact O-N 2.87Å; L254-K256 PolarHBondContact O-N 3.37Å; L254-S257 WeakPolarHBondContact O-CB 3.49Å; L254-S257 PolarHBondContact O-N 2.75Å; L254-F258 HydrophobicContact CD1-CD2 4.2Å; L254-F258 HydrophobicContact CD1-CE2 3.68Å; L254-F258 HydrophobicContact CG-CE2 4.49Å; L254-F258 WeakPolarHBondContact O-CD2 3.32Å; L254-I263 HydrophobicContact CD2-CG2 4.43Å; L254-I263 HydrophobicContact CG-CG2 4.41Å; L254-A272 HydrophobicContact CD2-CB 3.99Å; L254-H286 HydrophobicContact CD1-CB 4.44Å; L254-F292 HydrophobicContact CB-CE1 4.11Å; L254-F292 HydrophobicContact CB-CE2 4.01Å; L254-F292 HydrophobicContact CB-CZ 3.67Å; L254-F292 HydrophobicContact CD1-CD1 4.46Å; L254-F292 HydrophobicContact CD1-CD2 4.15Å; L254-F292 HydrophobicContact CD1-CE2 4.21Å; L254-F292 HydrophobicContact CD1-CG 4.33Å; L254-F292 HydrophobicContact CD1-CZ 4.41Å; L254-I297 HydrophobicContact CD1-CD1 3.33Å; L254-I297 HydrophobicContact CD1-CG1 4.4Å; L254-I297 HydrophobicContact CD2-CD1 4.13Å; L254-I297 HydrophobicContact CG-CD1 4.38Å
255	Q	95.2	Very high	94.5	Very high	77 Å²	77	56.5 Å²	56.5	36%	0.36	31%	0.313	S	S	.	.	H	α-helix	trans	-56.4	-41	177.5	177.4	177	64.1	0	0	111.7	A251 I252 S257 F258 I263 I265	A251-Q255 WeakPolarHBondContact O-CB 3.29Å; A251-Q255 PolarHBondContact O-N 3.47Å; I252-Q255 PolarHBondContact O-N 2.95Å; Q255-S257 VanDerWaalsContact C-N 3.28Å; Q255-S257 PolarHBondContact O-N 3.06Å; Q255-F258 PolarHBondContact O-N 2.9Å; Q255-I263 HydrophobicContact CB-CB 4.45Å; Q255-I263 HydrophobicContact CB-CG2 4.24Å; Q255-I263 WeakPolarHBondContact CG-O 3.34Å; Q255-I263 PolarHBondContact NE2-O 3.29Å; Q255-I265 HydrophobicContact CB-CD1 4.17Å; Q255-I265 HydrophobicContact CB-CG1 4.46Å
256	K	94.7	Very high	94.6	Very high	168 Å²	168	55 Å²	55	73%	0.73	30%	0.301	S	S	*	.	H	α-helix	trans	-70.5	-18.5	176.7	-70.2	179.3	-179	-178.9	0	114.2	I252 K253 L254 F258	I252-K256 WeakPolarHBondContact O-CG 3.23Å; I252-K256 PolarHBondContact O-N 3.37Å; I252-K256 VanDerWaalsContact O-N 3.1Å; K253-K256 PolarHBondContact O-N 2.89Å; L254-K256 PolarHBondContact O-N 3.37Å; K256-F258 VanDerWaalsContact C-N 3.25Å; K256-F258 PolarHBondContact O-N 3.35Å
257	S	93.4	Very high	94.5	Very high	5 Å²	5	61 Å²	61	4%	0.035	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-9.2	175.4	-55.8	0	0	0	0	113.5	K253 L254 Q255 S283 E285 H289	K253-S257 PolarHBondContact O-N 2.95Å; K253-S257 PolarHBondContact O-OG 2.96Å; K253-S257 VanDerWaalsContact O-OG 3.12Å; L254-S257 WeakPolarHBondContact O-CB 3.49Å; L254-S257 PolarHBondContact O-N 2.75Å; Q255-S257 VanDerWaalsContact C-N 3.28Å; Q255-S257 PolarHBondContact O-N 3.06Å; S257-S283 PolarHBondContact O-OG 2.73Å; S257-S283 VanDerWaalsContact O-OG 3.07Å; S257-E285 WeakPolarHBondContact O-CB 3.36Å; S257-H289 PolarHBondContact OG-CD2 2.96Å
258	F	94.7	Very high	94.4	Very high	15 Å²	15	65.3 Å²	65.3	7%	0.066	36%	0.36	C	S	.	.	S	Bend	trans	-121.4	164.7	178.2	-68.8	-87.3	0	0	0	111.6	I240 L254 Q255 K256 V262 I263 H286 V299	I240-F258 HydrophobicContact CD1-CD1 4.24Å; I240-F258 HydrophobicContact CD1-CE1 3.98Å; L254-F258 HydrophobicContact CD1-CD2 4.2Å; L254-F258 HydrophobicContact CD1-CE2 3.68Å; L254-F258 HydrophobicContact CG-CE2 4.49Å; L254-F258 WeakPolarHBondContact O-CD2 3.32Å; Q255-F258 PolarHBondContact O-N 2.9Å; K256-F258 VanDerWaalsContact C-N 3.25Å; K256-F258 PolarHBondContact O-N 3.35Å; F258-V262 HydrophobicContact CB-CB 3.81Å; F258-V262 HydrophobicContact CB-CG1 3.92Å; F258-V262 HydrophobicContact CB-CG2 4.35Å; F258-V262 HydrophobicContact CD1-CG1 3.93Å; F258-V262 HydrophobicContact CG-CB 4.47Å; F258-V262 HydrophobicContact CG-CG1 4.03Å; F258-I263 HydrophobicContact CB-CG1 4.21Å; F258-I263 HydrophobicContact CD2-CD1 4.42Å; F258-I263 HydrophobicContact CD2-CG1 3.64Å; F258-I263 HydrophobicContact CE2-CG1 4.27Å; F258-I263 HydrophobicContact CG-CG1 4.05Å; F258-H286 HydrophobicContact CE2-CB 3.98Å; F258-H286 HydrophobicContact CZ-CB 4.13Å; F258-H286 AromaticContact CZ-CG 3.92Å; F258-H286 AromaticContact CZ-ND1 3.55Å; F258-V299 HydrophobicContact CE1-CG2 4.18Å; F258-V299 HydrophobicContact CZ-CG2 3.89Å
259	A	93.9	Very high	94.3	Very high	52 Å²	52	66.4 Å²	66.4	43%	0.43	36%	0.358	S	S	.	.			trans	-60.3	153.1	171.5	0	0	0	0	0	110.9	G261 V262	A259-G261 PolarHBondContact O-N 2.83Å; A259-V262 HydrophobicContact CB-CG2 4.04Å; A259-V262 WeakPolarHBondContact O-CB 3.42Å; A259-V262 WeakPolarHBondContact O-CG2 3.38Å; A259-V262 PolarHBondContact O-N 2.92Å; A259-V262 VanDerWaalsContact O-N 3.13Å
260	S	93.8	Very high	94.3	Very high	122 Å²	122	59.3 Å²	59.3	85%	0.853	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	133.9	179	-174.4	0	0	0	0	111.2	V262	S260-V262 VanDerWaalsContact C-N 3.33Å
261	G	93.8	Very high	94.3	Very high	23 Å²	23	59 Å²	59	24%	0.237	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-3.2	-179.2	0	0	0	0	0	115.3	A259 D275 N276	A259-G261 PolarHBondContact O-N 2.83Å; G261-D275 WeakPolarHBondContact O-CB 3.32Å; G261-N276 WeakPolarHBondContact O-CB 2.9Å; G261-N276 PolarHBondContact O-N 3.44Å; G261-N276 VanDerWaalsContact O-N 3.08Å
262	V	95.7	Very high	94.3	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-48.2	174.1	177.1	0	0	0	0	110.9	I240 F258 A259 S260 D275 N276 L279 D280	I240-V262 HydrophobicContact CD1-CG1 3.39Å; F258-V262 HydrophobicContact CB-CB 3.81Å; F258-V262 HydrophobicContact CB-CG1 3.92Å; F258-V262 HydrophobicContact CB-CG2 4.35Å; F258-V262 HydrophobicContact CD1-CG1 3.93Å; F258-V262 HydrophobicContact CG-CB 4.47Å; F258-V262 HydrophobicContact CG-CG1 4.03Å; A259-V262 HydrophobicContact CB-CG2 4.04Å; A259-V262 WeakPolarHBondContact O-CB 3.42Å; A259-V262 WeakPolarHBondContact O-CG2 3.38Å; A259-V262 PolarHBondContact O-N 2.92Å; A259-V262 VanDerWaalsContact O-N 3.13Å; S260-V262 VanDerWaalsContact C-N 3.33Å; V262-D275 PolarHBondContact O-N 2.92Å; V262-N276 PolarHBondContact O-N 3.39Å; V262-L279 HydrophobicContact CG2-CB 3.71Å; V262-D280 HydrophobicContact CG1-CB 4.21Å; V262-D280 HydrophobicContact CG2-CB 4.18Å
263	I	96.3	Very high	94.4	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.2	179.2	-58.6	-59.8	0	0	0	109	I240 L254 Q255 F258 A272 F273 V274	I240-I263 HydrophobicContact CG2-CD1 4.35Å; L254-I263 HydrophobicContact CD2-CG2 4.43Å; L254-I263 HydrophobicContact CG-CG2 4.41Å; Q255-I263 HydrophobicContact CB-CB 4.45Å; Q255-I263 HydrophobicContact CB-CG2 4.24Å; Q255-I263 WeakPolarHBondContact CG-O 3.34Å; Q255-I263 PolarHBondContact NE2-O 3.29Å; F258-I263 HydrophobicContact CB-CG1 4.21Å; F258-I263 HydrophobicContact CD2-CD1 4.42Å; F258-I263 HydrophobicContact CD2-CG1 3.64Å; F258-I263 HydrophobicContact CE2-CG1 4.27Å; F258-I263 HydrophobicContact CG-CG1 4.05Å; I263-A272 HydrophobicContact CG2-CB 4.03Å; I263-F273 CarbonylContact C-O 3.6Å; I263-F273 WeakPolarHBondContact CA-O 3.21Å; I263-V274 HydrophobicContact CD1-CG2 4.06Å
264	G	95.9	Very high	94.3	Very high	8 Å²	8	58.1 Å²	58.1	8%	0.082	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	159.7	170.7	0	0	0	0	0	111.1	A272 F273	G264-A272 CarbonylContact O-C 3.57Å; G264-A272 VanDerWaalsContact O-CA 3.32Å; G264-A272 WeakPolarHBondContact O-CA 3.3Å; G264-F273 PolarHBondContact N-O 2.68Å; G264-F273 WeakPolarHBondContact O-CD1 3.37Å; G264-F273 PolarHBondContact O-N 3.48Å
265	I	96.1	Very high	94.3	Very high	46 Å²	46	62.9 Å²	62.9	24%	0.236	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.1	170.5	-57.7	176.1	0	0	0	107.2	A251 I252 Q255 S267 Q271	A251-I265 HydrophobicContact CB-CD1 4.14Å; A251-I265 HydrophobicContact CB-CG1 4.27Å; I252-I265 HydrophobicContact CB-CD1 4.39Å; I252-I265 HydrophobicContact CG1-CD1 3.82Å; Q255-I265 HydrophobicContact CB-CD1 4.17Å; Q255-I265 HydrophobicContact CB-CG1 4.46Å; I265-S267 PolarHBondContact O-N 2.67Å; I265-Q271 WeakPolarHBondContact CA-O 3.4Å
266	N	94.6	Very high	94.3	Very high	64 Å²	64	62.4 Å²	62.4	34%	0.342	36%	0.356	S	S	.	.			trans	-68.4	120	179.9	-176.3	-33.7	0	0	0	109.6	K268 T269 G270 Q271 F273	N266-K268 PolarHBondContact O-N 2.87Å; N266-K268 VanDerWaalsContact O-N 3.14Å; N266-K268 WeakPolarHBondContact OD1-CB 3.35Å; N266-K268 PolarHBondContact OD1-N 2.97Å; N266-T269 WeakPolarHBondContact CB-OG1 3.48Å; N266-T269 PolarHBondContact O-N 3Å; N266-T269 PolarHBondContact OD1-N 2.96Å; N266-G270 WeakPolarHBondContact O-CA 3.37Å; N266-G270 PolarHBondContact O-N 3Å; N266-Q271 PolarHBondContact N-O 2.9Å; N266-F273 HydrophobicContact CB-CD1 4.28Å; N266-F273 HydrophobicContact CB-CE1 4.33Å
267	S	91.8	Very high	94.2	Very high	128 Å²	128	55 Å²	55	90%	0.895	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.6	-177.4	-45.3	0	0	0	0	114.1	I265	I265-S267 PolarHBondContact O-N 2.67Å
268	K	91.1	Very high	94.2	Very high	198 Å²	198	56.3 Å²	56.3	86%	0.861	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-39.7	-178.9	-64.2	-178.8	179.1	178.3	0	113	N266	N266-K268 PolarHBondContact O-N 2.87Å; N266-K268 VanDerWaalsContact O-N 3.14Å; N266-K268 WeakPolarHBondContact OD1-CB 3.35Å; N266-K268 PolarHBondContact OD1-N 2.97Å
269	T	92	Very high	94.1	Very high	67 Å²	67	59.4 Å²	59.4	41%	0.411	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-15.3	-174.4	62.4	0	0	0	0	113.5	N266 Q271	N266-T269 WeakPolarHBondContact CB-OG1 3.48Å; N266-T269 PolarHBondContact O-N 3Å; N266-T269 PolarHBondContact OD1-N 2.96Å; T269-Q271 PolarHBondContact O-N 2.97Å; T269-Q271 WeakPolarHBondContact OG1-CB 3.42Å; T269-Q271 PolarHBondContact OG1-N 2.84Å
270	G	92.8	Very high	94	Very high	28 Å²	28	57.1 Å²	57.1	29%	0.289	33%	0.328	S	S	.	.			trans	70.4	9.5	-173.7	0	0	0	0	0	114.2	E247 G248 N266	E247-G270 WeakPolarHBondContact CA-O 3.45Å; G248-G270 PolarHBondContact N-O 2.85Å; N266-G270 WeakPolarHBondContact O-CA 3.37Å; N266-G270 PolarHBondContact O-N 3Å
271	Q	95	Very high	93.7	Very high	72 Å²	72	58 Å²	58	34%	0.336	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-88.1	137.6	-176.4	-66.5	171.6	-12.5	0	0	111.4	T245 I246 E247 I265 N266 T269	T245-Q271 HydrophobicContact CG2-CB 4.46Å; T245-Q271 HydrophobicContact CG2-CG 3.74Å; I246-Q271 WeakPolarHBondContact O-CA 3.39Å; E247-Q271 HydrophobicContact CB-CG 4.1Å; I265-Q271 WeakPolarHBondContact CA-O 3.4Å; N266-Q271 PolarHBondContact N-O 2.9Å; T269-Q271 PolarHBondContact O-N 2.97Å; T269-Q271 WeakPolarHBondContact OG1-CB 3.42Å; T269-Q271 PolarHBondContact OG1-N 2.84Å
272	A	95.2	Very high	93.2	Very high	12 Å²	12	58.9 Å²	58.9	10%	0.099	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	140.8	170.1	0	0	0	0	0	110.6	L242 I246 A251 L254 I263 G264	L242-A272 HydrophobicContact CD1-CB 4.05Å; L242-A272 WeakPolarHBondContact CD1-O 3.46Å; I246-A272 HydrophobicContact CB-CB 4.37Å; I246-A272 PolarHBondContact O-N 2.8Å; A251-A272 HydrophobicContact CB-CB 3.87Å; L254-A272 HydrophobicContact CD2-CB 3.99Å; I263-A272 HydrophobicContact CG2-CB 4.03Å; G264-A272 CarbonylContact O-C 3.57Å; G264-A272 VanDerWaalsContact O-CA 3.32Å; G264-A272 WeakPolarHBondContact O-CA 3.3Å
273	F	95.7	Very high	92.7	Very high	86 Å²	86	60.7 Å²	60.7	38%	0.377	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	157.2	170.4	66.8	-86.8	0	0	0	109.6	I263 G264 N266 D275	I263-F273 CarbonylContact C-O 3.6Å; I263-F273 WeakPolarHBondContact CA-O 3.21Å; G264-F273 PolarHBondContact N-O 2.68Å; G264-F273 WeakPolarHBondContact O-CD1 3.37Å; G264-F273 PolarHBondContact O-N 3.48Å; N266-F273 HydrophobicContact CB-CD1 4.28Å; N266-F273 HydrophobicContact CB-CE1 4.33Å; F273-D275 HydrophobicContact CD2-CB 4.36Å; F273-D275 HydrophobicContact CE2-CB 3.81Å; F273-D275 PolarHBondContact O-N 2.8Å
274	V	94.7	Very high	92.3	Very high	47 Å²	47	68.7 Å²	68.7	29%	0.285	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	112.6	174.6	-175.4	0	0	0	0	107.6	I240 L242 I263 A277	I240-V274 HydrophobicContact CB-CG1 4.05Å; I240-V274 HydrophobicContact CB-CG2 4Å; I240-V274 HydrophobicContact CG2-CG1 4.49Å; I240-V274 HydrophobicContact CG2-CG2 3.68Å; L242-V274 HydrophobicContact CD2-CG2 4.43Å; L242-V274 HydrophobicContact CG-CG2 4.08Å; I263-V274 HydrophobicContact CD1-CG2 4.06Å; V274-A277 HydrophobicContact CG1-CB 3.97Å
275	D	94.7	Very high	92	Very high	100 Å²	100	71.4 Å²	71.4	54%	0.535	39%	0.386	S	S	.	.	S	Bend	trans	-84.9	-61.4	-178.2	-175.5	27.5	0	0	0	109.7	G261 V262 F273	G261-D275 WeakPolarHBondContact O-CB 3.32Å; V262-D275 PolarHBondContact O-N 2.92Å; F273-D275 HydrophobicContact CD2-CB 4.36Å; F273-D275 HydrophobicContact CE2-CB 3.81Å; F273-D275 PolarHBondContact O-N 2.8Å
276	N	94.1	Very high	91.7	Very high	67 Å²	67	69.8 Å²	69.8	36%	0.358	38%	0.377	S	S	.	.			trans	-139.7	96	174.9	-169	-8.7	0	0	0	112.9	G261 V262 R278 L279	G261-N276 WeakPolarHBondContact O-CB 2.9Å; G261-N276 PolarHBondContact O-N 3.44Å; G261-N276 VanDerWaalsContact O-N 3.08Å; V262-N276 PolarHBondContact O-N 3.39Å; N276-R278 PolarHBondContact O-N 2.82Å; N276-R278 WeakPolarHBondContact OD1-CB 3.43Å; N276-R278 PolarHBondContact OD1-N 3.43Å; N276-L279 HydrophobicContact CB-CD1 4.07Å; N276-L279 HydrophobicContact CB-CG 4.2Å; N276-L279 PolarHBondContact O-N 2.83Å
277	A	93.5	Very high	91.4	Very high	14 Å²	14	71.4 Å²	71.4	12%	0.116	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-60.6	-25.6	177.7	0	0	0	0	0	113.5	P238 I240 V274 L279 D280	P238-A277 WeakPolarHBondContact CB-O 3.44Å; P238-A277 WeakPolarHBondContact CG-O 3.49Å; P238-A277 WeakPolarHBondContact O-CB 3.41Å; I240-A277 HydrophobicContact CD1-CB 4.39Å; I240-A277 HydrophobicContact CG1-CB 4.37Å; V274-A277 HydrophobicContact CG1-CB 3.97Å; A277-L279 PolarHBondContact O-N 3.37Å; A277-D280 WeakPolarHBondContact O-CB 3.37Å; A277-D280 PolarHBondContact O-N 2.81Å
278	R	93.3	Very high	91.4	Very high	31 Å²	31	73.5 Å²	73.5	12%	0.117	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-57.2	-32.7	179	-169.7	-168.5	-175.5	74.1	0	113.1	E51 D53 K235 N276 D280 I307	E51-R278 VanDerWaalsContact CD-NH2 3.26Å; E51-R278 IonicContact OE1-CZ 3.22Å; E51-R278 VanDerWaalsContact OE1-CZ 3.3Å; E51-R278 IonicContact OE1-NE 2.66Å; E51-R278 PolarHBondContact OE1-NE 3.46Å; E51-R278 VanDerWaalsContact OE1-NE 3.12Å; E51-R278 IonicContact OE1-NH2 3.3Å; E51-R278 PolarHBondContact OE1-NH2 2.81Å; D53-R278 VanDerWaalsContact CG-NH1 3.28Å; D53-R278 IonicContact OD1-CZ 3.15Å; D53-R278 IonicContact OD1-NH1 3.85Å; D53-R278 PolarHBondContact OD1-NH1 2.73Å; D53-R278 IonicContact OD1-NH2 3.34Å; D53-R278 PolarHBondContact OD1-NH2 2.82Å; D53-R278 IonicContact OD2-CZ 2.64Å; D53-R278 IonicContact OD2-NH1 2.73Å; D53-R278 PolarHBondContact OD2-NH1 3.28Å; D53-R278 IonicContact OD2-NH2 3.71Å; K235-R278 PolarHBondContact NZ-O 3.38Å; N276-R278 PolarHBondContact O-N 2.82Å; N276-R278 WeakPolarHBondContact OD1-CB 3.43Å; N276-R278 PolarHBondContact OD1-N 3.43Å; R278-D280 PolarHBondContact O-N 3.27Å; R278-I307 HydrophobicContact CG-CD1 3.81Å
279	L	92.8	Very high	91.4	Very high	80 Å²	80	66 Å²	66	42%	0.419	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-74.3	-12.6	-177.8	-62.2	178.7	0	0	0	112.6	V262 N276 A277	V262-L279 HydrophobicContact CG2-CB 3.71Å; N276-L279 HydrophobicContact CB-CD1 4.07Å; N276-L279 HydrophobicContact CB-CG 4.2Å; N276-L279 PolarHBondContact O-N 2.83Å; A277-L279 PolarHBondContact O-N 3.37Å
280	D	91.9	Very high	91.3	Very high	4 Å²	4	67 Å²	67	2%	0.021	35%	0.348	C	S	.	.			trans	-74	144.3	173.8	-174.2	52.5	0	0	0	111.4	K235 P238 I240 V262 A277 R278 G282 S283	K235-D280 PolarHBondContact NZ-O 3.07Å; P238-D280 HydrophobicContact CB-CB 4.17Å; P238-D280 HydrophobicContact CG-CB 4.25Å; P238-D280 WeakPolarHBondContact CG-O 3.19Å; I240-D280 HydrophobicContact CD1-CB 3.94Å; V262-D280 HydrophobicContact CG1-CB 4.21Å; V262-D280 HydrophobicContact CG2-CB 4.18Å; A277-D280 WeakPolarHBondContact O-CB 3.37Å; A277-D280 PolarHBondContact O-N 2.81Å; R278-D280 PolarHBondContact O-N 3.27Å; D280-G282 VanDerWaalsContact OD2-CA 3.3Å; D280-G282 WeakPolarHBondContact OD2-CA 3.45Å; D280-G282 PolarHBondContact OD2-N 3.31Å; D280-S283 PolarHBondContact OD1-N 2.95Å; D280-S283 VanDerWaalsContact OD1-N 3.15Å
281	N	86.1	Confident	91.2	Very high	140 Å²	140	68.1 Å²	68.1	75%	0.749	35%	0.345	S	S	*	.			trans	-117.3	27.3	176.4	-70.4	-31.9	0	0	0	111	K235	K235-N281 PolarHBondContact NZ-OD1 3.28Å; K235-N281 VanDerWaalsContact NZ-OD1 3.09Å
282	G	83.5	Confident	90.9	Very high	43 Å²	43	64.9 Å²	64.9	44%	0.443	33%	0.33	S	S	.	.			trans	80.4	37.3	-177.6	0	0	0	0	0	113.3	D280 R284	D280-G282 VanDerWaalsContact OD2-CA 3.3Å; D280-G282 WeakPolarHBondContact OD2-CA 3.45Å; D280-G282 PolarHBondContact OD2-N 3.31Å; G282-R284 PolarHBondContact O-N 3.41Å
283	S	84.9	Confident	90.4	Very high	37 Å²	37	69.9 Å²	69.9	26%	0.259	35%	0.346	S	S	.	.			trans	-60.2	127.5	178.2	178.4	0	0	0	0	111	S257 D280 E285 H286	S257-S283 PolarHBondContact O-OG 2.73Å; S257-S283 VanDerWaalsContact O-OG 3.07Å; D280-S283 PolarHBondContact OD1-N 2.95Å; D280-S283 VanDerWaalsContact OD1-N 3.15Å; S283-E285 PolarHBondContact OG-N 3.16Å; S283-H286 PolarHBondContact O-CE1 3.36Å; S283-H286 PolarHBondContact O-ND1 2.98Å
284	R	88	Confident	89.5	Confident	170 Å²	170	72.7 Å²	72.7	64%	0.642	37%	0.365	S	S	*	.			trans	-102.9	12.2	171.4	-65.3	-173	177.4	-176.3	-1.7	112.8	G282 H286 M287	G282-R284 PolarHBondContact O-N 3.41Å; R284-H286 PolarHBondContact O-N 2.83Å; R284-M287 HydrophobicContact CB-CG 4.46Å; R284-M287 HydrophobicContact CB-SD 3.98Å; R284-M287 HydrophobicContact CG-SD 4.01Å; R284-M287 WeakPolarHBondContact O-CB 3.48Å; R284-M287 PolarHBondContact O-N 2.89Å
285	E	90.4	Very high	88.8	Confident	66 Å²	66	77.4 Å²	77.4	31%	0.308	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-62	-35.3	-177.7	-173.6	61.7	-162.2	0	0	111.8	S257 S283 M287 R288	S257-E285 WeakPolarHBondContact O-CB 3.36Å; S283-E285 PolarHBondContact OG-N 3.16Å; E285-M287 PolarHBondContact O-N 3.37Å; E285-M287 VanDerWaalsContact O-N 3.16Å; E285-R288 VanDerWaalsContact O-CB 3.29Å; E285-R288 WeakPolarHBondContact O-CB 3.5Å; E285-R288 PolarHBondContact O-N 3.08Å; E285-R288 WeakPolarHBondContact OE1-CD 3.49Å; E285-R288 IonicContact OE1-NH1 2.78Å; E285-R288 PolarHBondContact OE1-NH1 3.44Å; E285-R288 VanDerWaalsContact OE2-CD 3.26Å; E285-R288 WeakPolarHBondContact OE2-CD 3.4Å; E285-R288 IonicContact OE2-CZ 3.41Å; E285-R288 VanDerWaalsContact OE2-CZ 3.25Å; E285-R288 IonicContact OE2-NE 3.03Å; E285-R288 PolarHBondContact OE2-NE 3.36Å; E285-R288 IonicContact OE2-NH1 3.25Å; E285-R288 PolarHBondContact OE2-NH1 3.22Å
286	H	89.1	Confident	88.4	Confident	12 Å²	12	73.2 Å²	73.2	6%	0.056	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-55.3	-35.2	175.4	67.3	-82.9	0	0	0	112.1	L254 F258 S283 R284 R288 H289 F292 V299	L254-H286 HydrophobicContact CD1-CB 4.44Å; F258-H286 HydrophobicContact CE2-CB 3.98Å; F258-H286 HydrophobicContact CZ-CB 4.13Å; F258-H286 AromaticContact CZ-CG 3.92Å; F258-H286 AromaticContact CZ-ND1 3.55Å; S283-H286 PolarHBondContact O-CE1 3.36Å; S283-H286 PolarHBondContact O-ND1 2.98Å; R284-H286 PolarHBondContact O-N 2.83Å; H286-R288 PolarHBondContact O-N 3.41Å; H286-H289 PolarHBondContact O-N 2.79Å; H286-H289 VanDerWaalsContact O-N 3.11Å; H286-F292 HydrophobicContact CB-CB 4.36Å; H286-F292 HydrophobicContact CB-CD2 4.38Å; H286-F292 WeakPolarHBondContact O-CB 3.44Å; H286-V299 WeakPolarHBondContact CE1-CG2 3.34Å
287	M	89.5	Confident	88.1	Confident	97 Å²	97	70.8 Å²	70.8	48%	0.478	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-67.5	-16.9	179.6	-56.8	179.8	68.3	0	0	113.4	R284 E285 H289 R293	R284-M287 HydrophobicContact CB-CG 4.46Å; R284-M287 HydrophobicContact CB-SD 3.98Å; R284-M287 HydrophobicContact CG-SD 4.01Å; R284-M287 WeakPolarHBondContact O-CB 3.48Å; R284-M287 PolarHBondContact O-N 2.89Å; E285-M287 PolarHBondContact O-N 3.37Å; E285-M287 VanDerWaalsContact O-N 3.16Å; M287-H289 PolarHBondContact O-N 2.84Å; M287-R293 PolarHBondContact O-NE 2.86Å; M287-R293 PolarHBondContact O-NH2 3.25Å
288	R	90.6	Very high	87.8	Confident	173 Å²	173	70.6 Å²	70.6	65%	0.653	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-70.7	-22.3	175	-63.7	-167.8	174.5	172.8	-9.9	112.4	E285 H286	E285-R288 VanDerWaalsContact O-CB 3.29Å; E285-R288 WeakPolarHBondContact O-CB 3.5Å; E285-R288 PolarHBondContact O-N 3.08Å; E285-R288 WeakPolarHBondContact OE1-CD 3.49Å; E285-R288 IonicContact OE1-NH1 2.78Å; E285-R288 PolarHBondContact OE1-NH1 3.44Å; E285-R288 VanDerWaalsContact OE2-CD 3.26Å; E285-R288 WeakPolarHBondContact OE2-CD 3.4Å; E285-R288 IonicContact OE2-CZ 3.41Å; E285-R288 VanDerWaalsContact OE2-CZ 3.25Å; E285-R288 IonicContact OE2-NE 3.03Å; E285-R288 PolarHBondContact OE2-NE 3.36Å; E285-R288 IonicContact OE2-NH1 3.25Å; E285-R288 PolarHBondContact OE2-NH1 3.22Å; H286-R288 PolarHBondContact O-N 3.41Å
289	H	92	Very high	87.6	Confident	39 Å²	39	70.5 Å²	70.5	18%	0.181	35%	0.353	C	S	.	.	S	Bend	trans	-93.6	116.6	179.2	-59.7	-44.5	0	0	0	109.9	K253 S257 H286 M287 E291 F292	K253-H289 WeakPolarHBondContact CE-CE1 3.42Å; K253-H289 WeakPolarHBondContact CE-ND1 3.33Å; S257-H289 PolarHBondContact OG-CD2 2.96Å; H286-H289 PolarHBondContact O-N 2.79Å; H286-H289 VanDerWaalsContact O-N 3.11Å; M287-H289 PolarHBondContact O-N 2.84Å; H289-E291 HydrophobicContact CB-CG 4.31Å; H289-E291 WeakPolarHBondContact CB-OE2 3.28Å; H289-E291 PolarHBondContact O-N 3.35Å; H289-E291 VanDerWaalsContact O-N 3.13Å; H289-F292 HydrophobicContact CB-CB 4.46Å; H289-F292 HydrophobicContact CB-CD2 3.59Å; H289-F292 HydrophobicContact CB-CE2 4.06Å; H289-F292 HydrophobicContact CB-CG 4.27Å; H289-F292 AromaticContact CD2-CD2 3.79Å; H289-F292 AromaticContact CD2-CE2 3.8Å; H289-F292 PolarHBondContact O-N 2.86Å
290	P	89.8	Confident	87.4	Confident	90 Å²	90	67 Å²	67	58%	0.584	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-53.6	-34.2	-178.6	-27.2	35.3	0	0	0	113.6	F292 R293	P290-F292 PolarHBondContact O-N 3.25Å; P290-R293 PolarHBondContact O-N 3.38Å
291	E	89.6	Confident	87.2	Confident	51 Å²	51	70 Å²	70	24%	0.238	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-66.7	-19.2	178.3	63.1	-93.1	-134.6	0	0	113.8	R244 K253 H289	R244-E291 VanDerWaalsContact CZ-O 3.27Å; R244-E291 PolarHBondContact NH1-O 3.38Å; R244-E291 PolarHBondContact NH2-O 3.26Å; K253-E291 VanDerWaalsContact CD-OE1 3.26Å; K253-E291 WeakPolarHBondContact CD-OE1 3.21Å; K253-E291 VanDerWaalsContact CE-OE1 3.27Å; K253-E291 WeakPolarHBondContact CE-OE1 3.49Å; K253-E291 IonicContact NZ-OE1 2.64Å; K253-E291 PolarHBondContact NZ-OE1 3.37Å; K253-E291 IonicContact NZ-OE2 3.8Å; H289-E291 HydrophobicContact CB-CG 4.31Å; H289-E291 WeakPolarHBondContact CB-OE2 3.28Å; H289-E291 PolarHBondContact O-N 3.35Å; H289-E291 VanDerWaalsContact O-N 3.13Å
292	F	90.2	Very high	87.3	Confident	3 Å²	3	65.5 Å²	65.5	1%	0.013	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-105.6	6.7	-179.6	-59.7	-32.3	0	0	0	113.3	I246 Q250 K253 L254 H286 H289 P290 V296 I297	I246-F292 HydrophobicContact CD1-CD1 4.44Å; I246-F292 HydrophobicContact CG2-CE1 4.22Å; Q250-F292 HydrophobicContact CB-CE1 4.29Å; Q250-F292 HydrophobicContact CB-CZ 4.5Å; Q250-F292 VanDerWaalsContact O-CZ 3.28Å; Q250-F292 WeakPolarHBondContact O-CZ 3.33Å; K253-F292 HydrophobicContact CB-CE2 4.31Å; K253-F292 HydrophobicContact CB-CZ 4.14Å; K253-F292 HydrophobicContact CD-CE2 4.43Å; K253-F292 HydrophobicContact CG-CE2 4.08Å; K253-F292 HydrophobicContact CG-CZ 4.34Å; L254-F292 HydrophobicContact CB-CE1 4.11Å; L254-F292 HydrophobicContact CB-CE2 4.01Å; L254-F292 HydrophobicContact CB-CZ 3.67Å; L254-F292 HydrophobicContact CD1-CD1 4.46Å; L254-F292 HydrophobicContact CD1-CD2 4.15Å; L254-F292 HydrophobicContact CD1-CE2 4.21Å; L254-F292 HydrophobicContact CD1-CG 4.33Å; L254-F292 HydrophobicContact CD1-CZ 4.41Å; H286-F292 HydrophobicContact CB-CB 4.36Å; H286-F292 HydrophobicContact CB-CD2 4.38Å; H286-F292 WeakPolarHBondContact O-CB 3.44Å; H289-F292 HydrophobicContact CB-CB 4.46Å; H289-F292 HydrophobicContact CB-CD2 3.59Å; H289-F292 HydrophobicContact CB-CE2 4.06Å; H289-F292 HydrophobicContact CB-CG 4.27Å; H289-F292 AromaticContact CD2-CD2 3.79Å; H289-F292 AromaticContact CD2-CE2 3.8Å; H289-F292 PolarHBondContact O-N 2.86Å; P290-F292 PolarHBondContact O-N 3.25Å; F292-V296 HydrophobicContact CD1-CG1 4.26Å; F292-I297 HydrophobicContact CB-CD1 3.8Å; F292-I297 HydrophobicContact CD1-CD1 3.95Å; F292-I297 HydrophobicContact CG-CD1 3.93Å
293	R	83.3	Confident	87.5	Confident	117 Å²	117	65 Å²	65	44%	0.442	32%	0.317	S	S	.	.			trans	-80.5	174.4	172.4	-61.6	-177.5	-176.9	168.9	2.3	110.9	M287 P290 V296	M287-R293 PolarHBondContact O-NE 2.86Å; M287-R293 PolarHBondContact O-NH2 3.25Å; P290-R293 PolarHBondContact O-N 3.38Å; R293-V296 WeakPolarHBondContact O-CB 3.43Å; R293-V296 WeakPolarHBondContact O-CG2 3.34Å
294	D	77.2	Confident	87.7	Confident	145 Å²	145	65 Å²	65	78%	0.775	32%	0.316	S	S	*	.	S	Bend	trans	50.5	82.8	161.4	-50.4	-32.1	0	0	0	114.9	V296	D294-V296 PolarHBondContact O-N 3.42Å; D294-V296 VanDerWaalsContact O-N 3.13Å
295	D	79.4	Confident	88	Confident	146 Å²	146	58 Å²	58	78%	0.781	29%	0.291	S	S	*	.	S	Bend	trans	61.6	17.7	174.5	-59.3	-34.8	0	0	0	116.2	L243	L243-D295 VanDerWaalsContact CB-O 3.25Å; L243-D295 WeakPolarHBondContact CB-O 3.47Å; L243-D295 VanDerWaalsContact CD1-O 3.31Å; L243-D295 WeakPolarHBondContact CD1-O 3.48Å
296	V	86.2	Confident	88.2	Confident	12 Å²	12	54.8 Å²	54.8	7%	0.073	28%	0.276	C	S	.	.	S	Bend	trans	-85.8	-47.4	176.7	165.9	0	0	0	0	112.3	L243 R244 I246 F292 R293 D294	L243-V296 PolarHBondContact N-O 3.3Å; R244-V296 HydrophobicContact CG-CG1 4Å; R244-V296 VanDerWaalsContact CZ-CG1 3.4Å; R244-V296 VanDerWaalsContact CZ-CG2 3.45Å; I246-V296 HydrophobicContact CD1-CG1 3.83Å; F292-V296 HydrophobicContact CD1-CG1 4.26Å; R293-V296 WeakPolarHBondContact O-CB 3.43Å; R293-V296 WeakPolarHBondContact O-CG2 3.34Å; D294-V296 PolarHBondContact O-N 3.42Å; D294-V296 VanDerWaalsContact O-N 3.13Å
297	I	89.1	Confident	88.5	Confident	16 Å²	16	54.3 Å²	54.3	8%	0.082	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.3	179.9	-64	140.8	0	0	0	107.8	I240 L242 I246 L254 F292 V299	I240-I297 HydrophobicContact CG2-CG2 4.22Å; L242-I297 HydrophobicContact CD2-CG1 3.8Å; L242-I297 HydrophobicContact CD2-CG2 4.22Å; I246-I297 HydrophobicContact CD1-CD1 3.93Å; I246-I297 HydrophobicContact CD1-CG1 3.9Å; L254-I297 HydrophobicContact CD1-CD1 3.33Å; L254-I297 HydrophobicContact CD1-CG1 4.4Å; L254-I297 HydrophobicContact CD2-CD1 4.13Å; L254-I297 HydrophobicContact CG-CD1 4.38Å; F292-I297 HydrophobicContact CB-CD1 3.8Å; F292-I297 HydrophobicContact CD1-CD1 3.95Å; F292-I297 HydrophobicContact CG-CD1 3.93Å; I297-V299 HydrophobicContact CG2-CG2 3.8Å
298	F	87	Confident	88.8	Confident	11 Å²	11	49.7 Å²	49.7	5%	0.048	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.4	168	175.5	-95.6	0	0	0	109	Y10 L18 I239 I240 K241 L243	Y10-F298 HydrophobicContact CD1-CD2 4.05Å; Y10-F298 AromaticContact CD1-CE2 3.44Å; Y10-F298 HydrophobicContact CD1-CE2 3.44Å; Y10-F298 VanDerWaalsContact CD1-CE2 3.44Å; Y10-F298 AromaticContact CD1-CZ 3.83Å; Y10-F298 HydrophobicContact CD1-CZ 3.83Å; Y10-F298 HydrophobicContact CD2-CD2 4.2Å; Y10-F298 HydrophobicContact CD2-CE2 4.29Å; Y10-F298 HydrophobicContact CE1-CD2 4.08Å; Y10-F298 HydrophobicContact CE1-CE1 4.41Å; Y10-F298 AromaticContact CE1-CE2 3.75Å; Y10-F298 HydrophobicContact CE1-CE2 3.75Å; Y10-F298 AromaticContact CE1-CZ 3.93Å; Y10-F298 HydrophobicContact CE1-CZ 3.93Å; Y10-F298 HydrophobicContact CE2-CD2 4.22Å; Y10-F298 HydrophobicContact CG-CD2 4.11Å; Y10-F298 AromaticContact CG-CE2 3.73Å; Y10-F298 HydrophobicContact CG-CE2 3.73Å; L18-F298 HydrophobicContact CB-CE2 3.75Å; L18-F298 HydrophobicContact CB-CZ 3.88Å; L18-F298 HydrophobicContact CD1-CD2 4.36Å; L18-F298 HydrophobicContact CD1-CE2 3.98Å; L18-F298 HydrophobicContact CD2-CE2 4.34Å; L18-F298 HydrophobicContact CG-CE2 4.24Å; I239-F298 HydrophobicContact CB-CE1 4.19Å; I239-F298 HydrophobicContact CG2-CD1 4.1Å; I239-F298 HydrophobicContact CG2-CE1 3.85Å; I240-F298 CarbonylContact C-O 3.54Å; I240-F298 VanDerWaalsContact CA-O 3.28Å; I240-F298 WeakPolarHBondContact CA-O 3.02Å; K241-F298 HydrophobicContact CB-CB 4.22Å; K241-F298 HydrophobicContact CG-CD1 4.4Å; K241-F298 PolarHBondContact N-O 2.94Å; K241-F298 PolarHBondContact O-N 2.9Å; L243-F298 HydrophobicContact CD1-CB 4.32Å; L243-F298 HydrophobicContact CG-CB 4.42Å
299	V	89.1	Confident	89.1	Confident	29 Å²	29	42.1 Å²	42.1	18%	0.176	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	111.5	169.1	-176.4	0	0	0	0	107.8	I239 I240 F258 H286 I297	I239-V299 WeakPolarHBondContact O-CA 3.3Å; I240-V299 HydrophobicContact CG1-CG1 4.44Å; I240-V299 HydrophobicContact CG1-CG2 4.49Å; F258-V299 HydrophobicContact CE1-CG2 4.18Å; F258-V299 HydrophobicContact CZ-CG2 3.89Å; H286-V299 WeakPolarHBondContact CE1-CG2 3.34Å; I297-V299 HydrophobicContact CG2-CG2 3.8Å
300	G	87.5	Confident	89.3	Confident	6 Å²	6	40.2 Å²	40.2	6%	0.062	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	-165.8	-179.6	0	0	0	0	0	111.3	I239	I239-G300 PolarHBondContact N-O 3Å; I239-G300 PolarHBondContact O-N 3.39Å
301	M	88.6	Confident	89.6	Confident	68 Å²	68	39.2 Å²	39.2	34%	0.335	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.6	-179.2	-70.3	177.5	-84.3	0	0	110.3	V17 L18 F236 H237	V17-M301 HydrophobicContact CG1-CE 4.32Å; L18-M301 PolarHBondContact O-N 3.19Å; F236-M301 HydrophobicContact CB-CB 3.85Å; F236-M301 HydrophobicContact CB-CG 4.32Å; F236-M301 HydrophobicContact CB-SD 4.22Å; F236-M301 HydrophobicContact CD2-SD 4.45Å; H237-M301 WeakPolarHBondContact O-CA 3.46Å
302	D	89	Confident	89.8	Confident	45 Å²	45	37 Å²	37	24%	0.241	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	106.1	169.1	-169.1	-9.4	0	0	0	110.2	F236 H237 I239 S304 H305	F236-D302 WeakPolarHBondContact CB-O 3.28Å; H237-D302 HydrophobicContact CB-CB 4.48Å; H237-D302 PolarHBondContact O-N 3.36Å; I239-D302 HydrophobicContact CD1-CB 3.75Å; I239-D302 HydrophobicContact CG1-CB 4.19Å; D302-S304 VanDerWaalsContact CG-OG 3.29Å; D302-S304 PolarHBondContact O-N 3.29Å; D302-S304 WeakPolarHBondContact OD1-CA 3.23Å; D302-S304 WeakPolarHBondContact OD1-CB 3.27Å; D302-S304 PolarHBondContact OD1-N 3.43Å; D302-S304 PolarHBondContact OD1-OG 3.47Å; D302-S304 PolarHBondContact OD2-OG 2.92Å; D302-H305 HydrophobicContact CB-CB 4.04Å; D302-H305 PolarHBondContact O-N 3.48Å; D302-H305 VanDerWaalsContact O-O 3.13Å
303	S	86.4	Confident	90	Very high	33 Å²	33	39.2 Å²	39.2	23%	0.231	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	-15.7	175.8	57.6	0	0	0	0	113.8	H19	H19-S303 VanDerWaalsContact CE1-CB 3.48Å; H19-S303 WeakPolarHBondContact CE1-CB 3.23Å; H19-S303 PolarHBondContact CE1-OG 2.91Å; H19-S303 PolarHBondContact ND1-OG 3.29Å
304	S	89.8	Confident	90.4	Very high	35 Å²	35	33.8 Å²	33.8	25%	0.245	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-4.3	177.3	78.1	0	0	0	0	114	I55 N56 L57 D302	I55-S304 CarbonylContact C-O 3.5Å; N56-S304 PolarHBondContact N-O 3.21Å; L57-S304 PolarHBondContact N-O 2.86Å; L57-S304 VanDerWaalsContact O-CA 3.28Å; L57-S304 WeakPolarHBondContact O-CA 3.46Å; D302-S304 VanDerWaalsContact CG-OG 3.29Å; D302-S304 PolarHBondContact O-N 3.29Å; D302-S304 WeakPolarHBondContact OD1-CA 3.23Å; D302-S304 WeakPolarHBondContact OD1-CB 3.27Å; D302-S304 PolarHBondContact OD1-N 3.43Å; D302-S304 PolarHBondContact OD1-OG 3.47Å; D302-S304 PolarHBondContact OD2-OG 2.92Å
305	H	93.3	Very high	90.9	Very high	23 Å²	23	28.7 Å²	28.7	11%	0.106	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	102.6	178.1	-172.6	163	0	0	0	109.1	D53 M54 F236 H237 D302	D53-H305 IonicContact OD2-CD2 2.64Å; D53-H305 IonicContact OD2-CE1 3.42Å; D53-H305 IonicContact OD2-NE2 3.83Å; D53-H305 PolarHBondContact OD2-NE2 2.87Å; M54-H305 WeakPolarHBondContact O-CA 3.38Å; F236-H305 CarbonylContact C-O 3.57Å; F236-H305 WeakPolarHBondContact CA-O 3.48Å; H237-H305 HydrophobicContact CB-CB 3.66Å; H237-H305 AromaticContact CD2-CE1 3.19Å; H237-H305 PolarHBondContact CD2-CE1 3.3Å; H237-H305 AromaticContact CD2-ND1 3.54Å; H237-H305 AromaticContact CD2-NE2 3.58Å; H237-H305 AromaticContact CG-CE1 3.68Å; H237-H305 AromaticContact CG-CG 3.93Å; H237-H305 AromaticContact CG-ND1 3.52Å; H237-H305 PolarHBondContact N-O 2.85Å; H237-H305 AromaticContact NE2-CE1 3.99Å; D302-H305 HydrophobicContact CB-CB 4.04Å; D302-H305 PolarHBondContact O-N 3.48Å; D302-H305 VanDerWaalsContact O-O 3.13Å
306	C	94.8	Very high	91.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	120	179.2	-65.2	0	0	0	0	110.3	D53 M54 L57 A62 Y234	D53-C306 CarbonylContact C-O 3.55Å; D53-C306 WeakPolarHBondContact CA-O 3.36Å; M54-C306 PolarHBondContact N-O 3.33Å; M54-C306 PolarHBondContact O-N 2.87Å; L57-C306 HydrophobicContact CD2-CB 4.35Å; A62-C306 HydrophobicContact CB-CB 4.06Å; Y234-C306 HydrophobicContact CD2-CB 4.22Å
307	I	95.2	Very high	91.3	Very high	2 Å²	2	27 Å²	27	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	112.5	169.6	-60.6	168.5	0	0	0	107.5	E51 Y234 K235 H237 R278	E51-I307 HydrophobicContact CG-CG2 4.1Å; Y234-I307 CarbonylContact C-O 3.59Å; Y234-I307 WeakPolarHBondContact CA-O 3.3Å; Y234-I307 WeakPolarHBondContact CB-O 3.28Å; K235-I307 HydrophobicContact CG-CB 3.86Å; K235-I307 HydrophobicContact CG-CD1 4.19Å; K235-I307 HydrophobicContact CG-CG2 4.28Å; K235-I307 PolarHBondContact N-O 3.48Å; K235-I307 PolarHBondContact O-N 2.99Å; H237-I307 HydrophobicContact CB-CD1 4.34Å; R278-I307 HydrophobicContact CG-CD1 3.81Å
308	F	96.7	Very high	91.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.9	-173.7	-140.9	-81.3	0	0	0	110.9	E51 F52 M54 A62 V65 R66 L69 Y234 V310	E51-F308 VanDerWaalsContact CA-O 3.27Å; E51-F308 WeakPolarHBondContact CA-O 3.45Å; F52-F308 HydrophobicContact CD1-CB 4.17Å; F52-F308 HydrophobicContact CD2-CB 4.25Å; F52-F308 HydrophobicContact CE1-CB 3.82Å; F52-F308 AromaticContact CE1-CD1 3.91Å; F52-F308 HydrophobicContact CE1-CD1 3.91Å; F52-F308 HydrophobicContact CE1-CG 4.14Å; F52-F308 HydrophobicContact CE2-CB 3.91Å; F52-F308 HydrophobicContact CE2-CG 4.32Å; F52-F308 HydrophobicContact CG-CB 4.38Å; F52-F308 HydrophobicContact CZ-CB 3.68Å; F52-F308 AromaticContact CZ-CD1 3.83Å; F52-F308 HydrophobicContact CZ-CD1 3.83Å; F52-F308 AromaticContact CZ-CG 3.8Å; F52-F308 HydrophobicContact CZ-CG 3.8Å; F52-F308 PolarHBondContact N-O 2.96Å; F52-F308 WeakPolarHBondContact O-CA 3.25Å; F52-F308 VanDerWaalsContact O-CB 3.3Å; F52-F308 WeakPolarHBondContact O-CB 3.44Å; F52-F308 PolarHBondContact O-N 3.41Å; M54-F308 HydrophobicContact CE-CB 4.4Å; M54-F308 HydrophobicContact CE-CD2 3.3Å; M54-F308 HydrophobicContact CE-CE2 3.79Å; M54-F308 HydrophobicContact CE-CG 4.08Å; A62-F308 HydrophobicContact CB-CE2 4.46Å; A62-F308 WeakPolarHBondContact O-CE2 3.48Å; V65-F308 HydrophobicContact CB-CZ 4.47Å; V65-F308 HydrophobicContact CG1-CZ 4.13Å; R66-F308 HydrophobicContact CB-CE2 4.23Å; R66-F308 HydrophobicContact CB-CZ 3.68Å; R66-F308 HydrophobicContact CG-CZ 4.19Å; L69-F308 HydrophobicContact CD1-CE1 3.66Å; L69-F308 HydrophobicContact CD1-CZ 4.16Å; Y234-F308 VanDerWaalsContact CB-CD2 3.47Å; Y234-F308 HydrophobicContact CD1-CD2 4.31Å; Y234-F308 AromaticContact CD1-CE2 3.8Å; Y234-F308 HydrophobicContact CD1-CE2 3.8Å; Y234-F308 HydrophobicContact CG-CD2 4.17Å; Y234-F308 HydrophobicContact CG-CE2 4.12Å; F308-V310 HydrophobicContact CD1-CG2 3.61Å; F308-V310 HydrophobicContact CE1-CG2 3.75Å
309	T	96.3	Very high	91.7	Very high	13 Å²	13	27.7 Å²	27.7	8%	0.08	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.2	173.3	-59.4	0	0	0	0	109.6	M50 A232 Y233	M50-T309 WeakPolarHBondContact O-CA 3.32Å; A232-T309 WeakPolarHBondContact CA-O 3.44Å; Y233-T309 HydrophobicContact CE1-CG2 4.04Å; Y233-T309 PolarHBondContact N-O 3.32Å; Y233-T309 VanDerWaalsContact N-O 3.12Å; Y233-T309 PolarHBondContact O-N 3.06Å
310	V	96.7	Very high	92	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.2	177.3	-175.4	0	0	0	0	109.3	T49 M50 F52 L69 V229 F308 P320 V324	T49-V310 CarbonylContact C-O 3.51Å; T49-V310 WeakPolarHBondContact CA-O 3.47Å; M50-V310 PolarHBondContact N-O 3.39Å; M50-V310 PolarHBondContact O-N 3.47Å; F52-V310 HydrophobicContact CE1-CG2 3.99Å; L69-V310 HydrophobicContact CD1-CG1 4.48Å; L69-V310 HydrophobicContact CD1-CG2 3.79Å; L69-V310 HydrophobicContact CD2-CG1 4.44Å; V229-V310 HydrophobicContact CG1-CG1 3.97Å; F308-V310 HydrophobicContact CD1-CG2 3.61Å; F308-V310 HydrophobicContact CE1-CG2 3.75Å; V310-P320 HydrophobicContact CB-CB 4.16Å; V310-P320 HydrophobicContact CG1-CB 4.03Å; V310-V324 HydrophobicContact CG2-CG2 3.91Å
311	E	95.6	Very high	92.3	Very high	69 Å²	69	26.2 Å²	26.2	32%	0.322	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.6	175.1	-173	178.6	168.1	0	0	109.4	D48 T49 V229 A230 A231	D48-E311 CarbonylContact O-C 3.33Å; D48-E311 VanDerWaalsContact O-CA 3.24Å; D48-E311 WeakPolarHBondContact O-CA 3.32Å; T49-E311 HydrophobicContact CG2-CB 3.84Å; T49-E311 HydrophobicContact CG2-CG 3.65Å; V229-E311 CarbonylContact C-O 3.54Å; V229-E311 WeakPolarHBondContact CA-O 3.35Å; V229-E311 WeakPolarHBondContact CB-O 3.4Å; A230-E311 HydrophobicContact CB-CB 4.32Å; A230-E311 HydrophobicContact CB-CG 3.95Å; A230-E311 PolarHBondContact N-O 2.87Å; A231-E311 HydrophobicContact CB-CB 4.04Å; A231-E311 PolarHBondContact O-N 2.93Å
312	T	95.4	Very high	92.6	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	145.5	176.8	-177.3	0	0	0	0	111.6	D48 P228 A314 P315 R318 P320	D48-T312 PolarHBondContact O-N 3.06Å; P228-T312 PolarHBondContact O-OG1 2.72Å; T312-A314 VanDerWaalsContact C-N 3.26Å; T312-A314 PolarHBondContact O-N 3.42Å; T312-A314 PolarHBondContact OG1-N 3.02Å; T312-P315 HydrophobicContact CG2-CB 4.01Å; T312-R318 WeakPolarHBondContact CB-O 3.47Å; T312-R318 PolarHBondContact OG1-O 3.24Å; T312-P320 HydrophobicContact CG2-CG 3.79Å
313	I	94.1	Very high	92.9	Very high	48 Å²	48	22.3 Å²	22.3	25%	0.246	15%	0.15	C	C	.	.	S	Bend	trans	-74.4	-14.1	168.9	62.5	169.9	0	0	0	113.2	P103 V194 P228 A230	P103-I313 HydrophobicContact CB-CB 4.47Å; P103-I313 HydrophobicContact CB-CD1 3.8Å; P103-I313 HydrophobicContact CB-CG1 4.46Å; V194-I313 WeakPolarHBondContact CG1-O 2.99Å; P228-I313 PolarHBondContact O-N 2.87Å; A230-I313 HydrophobicContact CB-CG2 4.07Å
314	A	91.8	Very high	93.4	Very high	3 Å²	3	20.8 Å²	20.8	3%	0.025	14%	0.14	C	C	.	.			trans	-140.7	68.1	-170	0	0	0	0	0	111.9	V194 T312 G316 S317 R318	V194-A314 HydrophobicContact CG2-CB 3.59Å; T312-A314 VanDerWaalsContact C-N 3.26Å; T312-A314 PolarHBondContact O-N 3.42Å; T312-A314 PolarHBondContact OG1-N 3.02Å; A314-G316 VanDerWaalsContact C-N 3.31Å; A314-G316 PolarHBondContact O-N 3.02Å; A314-S317 PolarHBondContact O-N 3.14Å; A314-R318 HydrophobicContact CB-CB 4.4Å; A314-R318 CarbonylContact O-C 3.49Å; A314-R318 VanDerWaalsContact O-C 3.32Å; A314-R318 WeakPolarHBondContact O-CA 3.28Å; A314-R318 PolarHBondContact O-N 3.39Å
315	P	88	Confident	93.8	Very high	39 Å²	39	24 Å²	24	25%	0.253	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-37.3	-171.8	19.6	-30.7	0	0	0	114.4	T312	T312-P315 HydrophobicContact CG2-CB 4.01Å
316	G	85.1	Confident	94	Very high	82 Å²	82	25 Å²	25	85%	0.845	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-42.7	-178.1	0	0	0	0	0	114.2	A314	A314-G316 VanDerWaalsContact C-N 3.31Å; A314-G316 PolarHBondContact O-N 3.02Å
317	S	88.3	Confident	94.1	Very high	39 Å²	39	25 Å²	25	27%	0.273	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-29.8	-177.8	57.5	0	0	0	0	113.2	A105 A314	A105-S317 WeakPolarHBondContact CA-OG 3.22Å; A105-S317 WeakPolarHBondContact O-CB 3.34Å; A314-S317 PolarHBondContact O-N 3.14Å
318	R	91	Very high	94.3	Very high	11 Å²	11	25.1 Å²	25.1	4%	0.042	16%	0.156	C	C	.	.	S	Bend	trans	-137.2	68.1	-174	-59.1	-167.2	70.3	179.7	4.3	111.7	V73 P74 S75 T312 A314 L323	V73-R318 VanDerWaalsContact CG1-NH2 3.33Å; P74-R318 PolarHBondContact O-NH1 3.17Å; P74-R318 PolarHBondContact O-NH2 3.2Å; S75-R318 PolarHBondContact OG-NH1 2.84Å; T312-R318 WeakPolarHBondContact CB-O 3.47Å; T312-R318 PolarHBondContact OG1-O 3.24Å; A314-R318 HydrophobicContact CB-CB 4.4Å; A314-R318 CarbonylContact O-C 3.49Å; A314-R318 VanDerWaalsContact O-C 3.32Å; A314-R318 WeakPolarHBondContact O-CA 3.28Å; A314-R318 PolarHBondContact O-N 3.39Å; R318-L323 HydrophobicContact CB-CD2 4.19Å
319	P	92.9	Very high	94.4	Very high	32 Å²	32	26 Å²	26	21%	0.208	17%	0.165	C	C	.	.			trans	-58.6	154.4	179.3	25	-35	0	0	0	111.5	S321 S322 L323	P319-S321 PolarHBondContact O-N 3.4Å; P319-S321 VanDerWaalsContact O-N 3.08Å; P319-S322 WeakPolarHBondContact O-CA 3.19Å; P319-S322 WeakPolarHBondContact O-CB 3.34Å; P319-S322 PolarHBondContact O-N 3.23Å; P319-L323 PolarHBondContact O-N 3.25Å
320	P	95.2	Very high	94.4	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-54.1	-36.9	-175	-28	36	0	0	0	113.8	D48 M50 V310 T312 S322 L323 V324	D48-P320 VanDerWaalsContact O-CG 3.24Å; D48-P320 WeakPolarHBondContact O-CG 3.22Å; M50-P320 HydrophobicContact CB-CB 3.52Å; M50-P320 HydrophobicContact CB-CG 4.04Å; M50-P320 HydrophobicContact SD-CB 4.35Å; V310-P320 HydrophobicContact CB-CB 4.16Å; V310-P320 HydrophobicContact CG1-CB 4.03Å; T312-P320 HydrophobicContact CG2-CG 3.79Å; P320-S322 PolarHBondContact O-N 2.94Å; P320-L323 WeakPolarHBondContact O-CB 3.42Å; P320-L323 PolarHBondContact O-N 3.34Å; P320-L323 VanDerWaalsContact O-N 3.07Å; P320-V324 WeakPolarHBondContact O-CG2 3.49Å; P320-V324 PolarHBondContact O-N 3.22Å
321	S	94.2	Very high	94.5	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-63.5	-27	176.3	61.7	0	0	0	0	113.9	P319 R325	P319-S321 PolarHBondContact O-N 3.4Å; P319-S321 VanDerWaalsContact O-N 3.08Å; S321-R325 VanDerWaalsContact O-CG 3.29Å; S321-R325 WeakPolarHBondContact O-CG 3.34Å; S321-R325 PolarHBondContact O-N 2.56Å; S321-R325 PolarHBondContact O-NE 2.76Å
322	S	94.2	Very high	94.7	Very high	30 Å²	30	23.6 Å²	23.6	21%	0.21	15%	0.154	C	C	.	.	H	α-helix	trans	-71	-43.1	170.7	-160.1	0	0	0	0	111.6	P319 P320 R325 C326	P319-S322 WeakPolarHBondContact O-CA 3.19Å; P319-S322 WeakPolarHBondContact O-CB 3.34Å; P319-S322 PolarHBondContact O-N 3.23Å; P320-S322 PolarHBondContact O-N 2.94Å; S322-R325 PolarHBondContact O-N 3.13Å; S322-R325 PolarHBondContact OG-NH2 2.93Å; S322-C326 WeakPolarHBondContact O-CB 3.41Å; S322-C326 PolarHBondContact O-N 2.77Å
323	L	96.6	Very high	94.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.7	-43.9	179.4	-57.7	-178.1	0	0	0	111.7	L69 V73 P228 V229 R318 P319 P320 R325 C326 A327	L69-L323 HydrophobicContact CD2-CB 3.76Å; V73-L323 HydrophobicContact CG1-CD2 4.09Å; P228-L323 HydrophobicContact CB-CD1 4.32Å; P228-L323 HydrophobicContact CB-CD2 3.9Å; P228-L323 HydrophobicContact CG-CD2 4.08Å; P228-L323 WeakPolarHBondContact O-CD1 3.44Å; V229-L323 HydrophobicContact CG1-CD1 3.6Å; R318-L323 HydrophobicContact CB-CD2 4.19Å; P319-L323 PolarHBondContact O-N 3.25Å; P320-L323 WeakPolarHBondContact O-CB 3.42Å; P320-L323 PolarHBondContact O-N 3.34Å; P320-L323 VanDerWaalsContact O-N 3.07Å; L323-R325 PolarHBondContact O-N 3.28Å; L323-C326 WeakPolarHBondContact O-CB 3.41Å; L323-C326 PolarHBondContact O-N 2.79Å; L323-C326 VanDerWaalsContact O-N 3.16Å; L323-A327 PolarHBondContact O-N 2.89Å
324	V	97.3	Very high	94.9	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-44	175.8	177.3	0	0	0	0	111.4	F52 L69 V310 P320 C326 A327 L328 F476	F52-V324 HydrophobicContact CE1-CG2 3.76Å; F52-V324 HydrophobicContact CZ-CG1 3.97Å; F52-V324 HydrophobicContact CZ-CG2 3.95Å; L69-V324 HydrophobicContact CD1-CG2 4.44Å; L69-V324 HydrophobicContact CD2-CG2 4.44Å; V310-V324 HydrophobicContact CG2-CG2 3.91Å; P320-V324 WeakPolarHBondContact O-CG2 3.49Å; P320-V324 PolarHBondContact O-N 3.22Å; V324-C326 VanDerWaalsContact C-N 3.3Å; V324-C326 PolarHBondContact O-N 2.96Å; V324-A327 PolarHBondContact O-N 3.4Å; V324-L328 HydrophobicContact CG1-CD1 4.1Å; V324-L328 WeakPolarHBondContact O-CG 3.42Å; V324-L328 PolarHBondContact O-N 2.78Å; V324-F476 HydrophobicContact CB-CE1 4.02Å; V324-F476 HydrophobicContact CB-CE2 4.17Å; V324-F476 HydrophobicContact CB-CZ 3.69Å; V324-F476 HydrophobicContact CG1-CD1 4.24Å; V324-F476 HydrophobicContact CG1-CD2 3.96Å; V324-F476 HydrophobicContact CG1-CE1 3.95Å; V324-F476 HydrophobicContact CG1-CE2 3.65Å; V324-F476 HydrophobicContact CG1-CG 4.25Å; V324-F476 HydrophobicContact CG1-CZ 3.63Å; V324-F476 HydrophobicContact CG2-CZ 4.2Å
325	R	97	Very high	95.2	Very high	102 Å²	102	23.5 Å²	23.5	39%	0.385	16%	0.157	S	C	.	.	H	α-helix	trans	-62.4	-37.9	175.7	-72.9	-179.5	-59.8	134.3	-0.9	112.3	S321 S322 L323 G329 F476 I477	S321-R325 VanDerWaalsContact O-CG 3.29Å; S321-R325 WeakPolarHBondContact O-CG 3.34Å; S321-R325 PolarHBondContact O-N 2.56Å; S321-R325 PolarHBondContact O-NE 2.76Å; S322-R325 PolarHBondContact O-N 3.13Å; S322-R325 PolarHBondContact OG-NH2 2.93Å; L323-R325 PolarHBondContact O-N 3.28Å; R325-G329 PolarHBondContact O-N 2.69Å; R325-G329 VanDerWaalsContact O-N 3.08Å; R325-F476 HydrophobicContact CG-CD1 3.92Å; R325-F476 HydrophobicContact CG-CE1 3.91Å; R325-I477 HydrophobicContact CG-CG1 4.12Å
326	C	97.3	Very high	95.7	Very high	44 Å²	44	23.9 Å²	23.9	30%	0.297	16%	0.161	S	C	.	.	H	α-helix	trans	-66	-47.4	176.2	-168.9	0	0	0	0	110.5	V73 S322 L323 V324 L328 G329 V330	V73-C326 HydrophobicContact CG1-CB 4.07Å; V73-C326 HydrophobicContact CG2-CB 4.46Å; S322-C326 WeakPolarHBondContact O-CB 3.41Å; S322-C326 PolarHBondContact O-N 2.77Å; L323-C326 WeakPolarHBondContact O-CB 3.41Å; L323-C326 PolarHBondContact O-N 2.79Å; L323-C326 VanDerWaalsContact O-N 3.16Å; V324-C326 VanDerWaalsContact C-N 3.3Å; V324-C326 PolarHBondContact O-N 2.96Å; C326-L328 PolarHBondContact O-N 2.85Å; C326-G329 CarbonylContact O-C 3.59Å; C326-G329 WeakPolarHBondContact O-CA 3.15Å; C326-G329 PolarHBondContact O-N 3.27Å; C326-V330 WeakPolarHBondContact O-CG2 3.33Å; C326-V330 PolarHBondContact O-N 2.95Å
327	A	98.2	Very high	96.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.7	-44.8	178.5	0	0	0	0	0	112.6	I68 L69 V73 L323 V324 G329 V330 M331	I68-A327 HydrophobicContact CB-CB 4.14Å; I68-A327 VanDerWaalsContact CG2-CA 3.43Å; I68-A327 HydrophobicContact CG2-CB 3.58Å; L69-A327 HydrophobicContact CD2-CB 3.92Å; L69-A327 HydrophobicContact CG-CB 3.81Å; V73-A327 HydrophobicContact CG2-CB 3.8Å; L323-A327 PolarHBondContact O-N 2.89Å; V324-A327 PolarHBondContact O-N 3.4Å; A327-G329 VanDerWaalsContact C-N 3.27Å; A327-G329 PolarHBondContact O-N 3.2Å; A327-V330 PolarHBondContact O-N 2.67Å; A327-M331 PolarHBondContact O-N 2.68Å
328	L	98.5	Very high	96.7	Very high	4 Å²	4	20 Å²	20	2%	0.021	12%	0.116	C	C	.	.	H	α-helix	trans	-61.8	-38.1	173.6	-66.1	167.6	0	0	0	111.6	V65 V324 C326 I332 F469 M472 K473 F476	V65-L328 HydrophobicContact CG2-CD2 3.73Å; V324-L328 HydrophobicContact CG1-CD1 4.1Å; V324-L328 WeakPolarHBondContact O-CG 3.42Å; V324-L328 PolarHBondContact O-N 2.78Å; C326-L328 PolarHBondContact O-N 2.85Å; L328-I332 WeakPolarHBondContact O-CD1 3.45Å; L328-I332 VanDerWaalsContact O-CG1 3.23Å; L328-I332 WeakPolarHBondContact O-CG1 3.29Å; L328-I332 PolarHBondContact O-N 3.11Å; L328-F469 HydrophobicContact CD2-CD1 3.72Å; L328-F469 HydrophobicContact CD2-CE1 4.08Å; L328-M472 HydrophobicContact CD2-CB 4Å; L328-M472 HydrophobicContact CD2-CE 3.99Å; L328-K473 HydrophobicContact CB-CB 4.04Å; L328-K473 HydrophobicContact CB-CD 4.42Å; L328-K473 HydrophobicContact CB-CG 4.27Å; L328-K473 HydrophobicContact CD1-CB 4.07Å; L328-K473 HydrophobicContact CD1-CG 4.48Å; L328-F476 HydrophobicContact CD1-CB 4.37Å
329	G	98.1	Very high	96.9	Very high	19 Å²	19	20.1 Å²	20.1	20%	0.196	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-39	174.9	0	0	0	0	0	114	R325 C326 A327 I332 S333	R325-G329 PolarHBondContact O-N 2.69Å; R325-G329 VanDerWaalsContact O-N 3.08Å; C326-G329 CarbonylContact O-C 3.59Å; C326-G329 WeakPolarHBondContact O-CA 3.15Å; C326-G329 PolarHBondContact O-N 3.27Å; A327-G329 VanDerWaalsContact C-N 3.27Å; A327-G329 PolarHBondContact O-N 3.2Å; G329-I332 PolarHBondContact O-N 2.95Å; G329-S333 PolarHBondContact O-N 2.55Å
330	V	97.9	Very high	97	Very high	8 Å²	8	21.1 Å²	21.1	5%	0.048	13%	0.128	C	C	.	.	H	α-helix	trans	-60.5	-48.9	178.4	167.2	0	0	0	0	110.7	I68 E72 C326 A327 I332 S333 K334	I68-V330 HydrophobicContact CD1-CG1 4.46Å; I68-V330 HydrophobicContact CG2-CB 3.77Å; I68-V330 HydrophobicContact CG2-CG1 3.85Å; I68-V330 HydrophobicContact CG2-CG2 4.27Å; E72-V330 HydrophobicContact CB-CG1 4.1Å; E72-V330 VanDerWaalsContact OE2-CG1 3.32Å; E72-V330 WeakPolarHBondContact OE2-CG1 3.05Å; C326-V330 WeakPolarHBondContact O-CG2 3.33Å; C326-V330 PolarHBondContact O-N 2.95Å; A327-V330 PolarHBondContact O-N 2.67Å; V330-I332 VanDerWaalsContact C-N 3.35Å; V330-I332 PolarHBondContact O-N 2.89Å; V330-S333 WeakPolarHBondContact O-CB 3.35Å; V330-S333 PolarHBondContact O-N 2.85Å; V330-K334 PolarHBondContact O-N 3.41Å
331	M	98.2	Very high	97	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.6	-42.1	176.9	-173.6	62.4	87.7	0	0	112	A64 I68 A327 S333 K334 C335 T413 L414 A417 L465 F469	A64-M331 HydrophobicContact CB-CE 3.76Å; I68-M331 HydrophobicContact CD1-CB 3.75Å; I68-M331 HydrophobicContact CD1-CE 3.87Å; A327-M331 PolarHBondContact O-N 2.68Å; M331-S333 VanDerWaalsContact C-N 3.27Å; M331-S333 PolarHBondContact O-N 3.36Å; M331-K334 WeakPolarHBondContact O-CB 3.29Å; M331-K334 PolarHBondContact O-N 3.14Å; M331-C335 PolarHBondContact O-N 3.02Å; M331-C335 PolarHBondContact O-SG 2.64Å; M331-T413 HydrophobicContact CE-CG2 4.43Å; M331-L414 HydrophobicContact SD-CD1 4.02Å; M331-A417 HydrophobicContact CE-CB 4.43Å; M331-L465 HydrophobicContact SD-CD2 4.03Å; M331-F469 HydrophobicContact CB-CD1 3.38Å; M331-F469 HydrophobicContact CB-CE1 3.54Å; M331-F469 HydrophobicContact CB-CG 3.9Å; M331-F469 HydrophobicContact CB-CZ 4.2Å; M331-F469 HydrophobicContact CE-CE1 4.39Å; M331-F469 HydrophobicContact CE-CE2 4.42Å; M331-F469 HydrophobicContact CE-CZ 3.97Å; M331-F469 HydrophobicContact CG-CB 4.43Å; M331-F469 HydrophobicContact CG-CD1 3.57Å; M331-F469 HydrophobicContact CG-CD2 3.78Å; M331-F469 HydrophobicContact CG-CE1 3.62Å; M331-F469 HydrophobicContact CG-CE2 3.85Å; M331-F469 HydrophobicContact CG-CG 3.64Å; M331-F469 HydrophobicContact CG-CZ 3.76Å
332	I	98.4	Very high	96.9	Very high	23 Å²	23	22.6 Å²	22.6	12%	0.118	14%	0.137	C	C	.	.	H	α-helix	trans	-59.4	-41.8	176.8	-65.5	162.9	0	0	0	110.6	L328 G329 V330 S336 R466 F469 Q470 K473	L328-I332 WeakPolarHBondContact O-CD1 3.45Å; L328-I332 VanDerWaalsContact O-CG1 3.23Å; L328-I332 WeakPolarHBondContact O-CG1 3.29Å; L328-I332 PolarHBondContact O-N 3.11Å; G329-I332 PolarHBondContact O-N 2.95Å; V330-I332 VanDerWaalsContact C-N 3.35Å; V330-I332 PolarHBondContact O-N 2.89Å; I332-S336 WeakPolarHBondContact O-CB 3.43Å; I332-S336 PolarHBondContact O-N 2.75Å; I332-S336 PolarHBondContact O-OG 3.12Å; I332-R466 HydrophobicContact CG2-CG 4.13Å; I332-F469 HydrophobicContact CD1-CB 4.44Å; I332-F469 HydrophobicContact CG1-CB 3.8Å; I332-Q470 HydrophobicContact CD1-CB 4.4Å; I332-Q470 HydrophobicContact CD1-CG 3.8Å; I332-Q470 HydrophobicContact CG1-CG 3.97Å; I332-Q470 HydrophobicContact CG2-CG 4.09Å; I332-K473 HydrophobicContact CD1-CB 4.41Å; I332-K473 HydrophobicContact CD1-CD 3.86Å
333	S	97.4	Very high	96.8	Very high	47 Å²	47	27.1 Å²	27.1	33%	0.329	16%	0.155	S	C	.	.	H	α-helix	trans	-64.1	-43	176.8	-164.7	0	0	0	0	111.7	G329 V330 M331 S336 H337	G329-S333 PolarHBondContact O-N 2.55Å; V330-S333 WeakPolarHBondContact O-CB 3.35Å; V330-S333 PolarHBondContact O-N 2.85Å; M331-S333 VanDerWaalsContact C-N 3.27Å; M331-S333 PolarHBondContact O-N 3.36Å; S333-S336 PolarHBondContact O-N 2.87Å; S333-H337 WeakPolarHBondContact O-CB 3.38Å; S333-H337 PolarHBondContact O-N 2.84Å
334	K	97.8	Very high	96.6	Very high	8 Å²	8	30.7 Å²	30.7	4%	0.035	18%	0.177	C	C	.	.	H	α-helix	trans	-57.8	-52.9	174.5	-74.6	-176.4	162.5	-162.4	0	112.1	E72 V330 M331 S336 H337 Y338 L384 E410	E72-K334 IonicContact OE1-NZ 3.3Å; E72-K334 PolarHBondContact OE1-NZ 2.81Å; E72-K334 WeakPolarHBondContact OE2-CE 3.33Å; E72-K334 IonicContact OE2-NZ 2.64Å; E72-K334 PolarHBondContact OE2-NZ 3.4Å; V330-K334 PolarHBondContact O-N 3.41Å; M331-K334 WeakPolarHBondContact O-CB 3.29Å; M331-K334 PolarHBondContact O-N 3.14Å; K334-S336 VanDerWaalsContact C-N 3.31Å; K334-S336 PolarHBondContact O-N 3.22Å; K334-H337 PolarHBondContact O-N 3.33Å; K334-Y338 HydrophobicContact CB-CE2 4.5Å; K334-Y338 WeakPolarHBondContact O-CD2 3.16Å; K334-Y338 PolarHBondContact O-N 3.33Å; K334-L384 HydrophobicContact CB-CD2 4.32Å; K334-L384 HydrophobicContact CG-CD2 3.73Å; K334-E410 WeakPolarHBondContact CD-OE1 3.03Å; K334-E410 WeakPolarHBondContact CE-OE1 3.28Å; K334-E410 IonicContact NZ-OE1 3.11Å; K334-E410 PolarHBondContact NZ-OE1 2.93Å; K334-E410 IonicContact NZ-OE2 3.46Å; K334-E410 PolarHBondContact NZ-OE2 2.74Å
335	C	98.2	Very high	96	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.5	-44.5	179	-59.4	0	0	0	0	111.5	M331 H337 Y338 M339 R466	M331-C335 PolarHBondContact O-N 3.02Å; M331-C335 PolarHBondContact O-SG 2.64Å; C335-H337 VanDerWaalsContact C-N 3.33Å; C335-H337 PolarHBondContact O-N 3.42Å; C335-Y338 PolarHBondContact O-N 3.05Å; C335-M339 VanDerWaalsContact O-CB 3.29Å; C335-M339 WeakPolarHBondContact O-CB 3.27Å; C335-M339 WeakPolarHBondContact O-CG 3.01Å; C335-M339 PolarHBondContact O-N 3.19Å; C335-R466 HydrophobicContact CB-CB 3.62Å; C335-R466 HydrophobicContact CB-CG 4.03Å
336	S	97.7	Very high	95.4	Very high	47 Å²	47	33.5 Å²	33.5	33%	0.329	21%	0.214	S	C	.	.	H	α-helix	trans	-63.4	-39.7	179.9	-52.6	0	0	0	0	112.2	I332 S333 K334 A340 R466	I332-S336 WeakPolarHBondContact O-CB 3.43Å; I332-S336 PolarHBondContact O-N 2.75Å; I332-S336 PolarHBondContact O-OG 3.12Å; S333-S336 PolarHBondContact O-N 2.87Å; K334-S336 VanDerWaalsContact C-N 3.31Å; K334-S336 PolarHBondContact O-N 3.22Å; S336-A340 PolarHBondContact O-N 2.96Å; S336-A340 VanDerWaalsContact O-N 3.14Å; S336-R466 WeakPolarHBondContact OG-CD 3.39Å
337	H	96.8	Very high	95	Very high	40 Å²	40	32.8 Å²	32.8	19%	0.185	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-54.9	176.6	177.1	80.2	0	0	0	111.5	S333 K334 C335 M339 A340 V341 S382 L384	S333-H337 WeakPolarHBondContact O-CB 3.38Å; S333-H337 PolarHBondContact O-N 2.84Å; K334-H337 PolarHBondContact O-N 3.33Å; C335-H337 VanDerWaalsContact C-N 3.33Å; C335-H337 PolarHBondContact O-N 3.42Å; H337-M339 VanDerWaalsContact C-N 3.29Å; H337-M339 PolarHBondContact O-N 2.98Å; H337-A340 WeakPolarHBondContact O-CB 3.49Å; H337-A340 PolarHBondContact O-N 3.09Å; H337-A340 VanDerWaalsContact O-N 3.14Å; H337-V341 WeakPolarHBondContact O-CG2 3.5Å; H337-V341 PolarHBondContact O-N 3.19Å; H337-V341 VanDerWaalsContact O-N 3.09Å; H337-S382 PolarHBondContact CE1-OG 2.73Å; H337-S382 PolarHBondContact NE2-OG 2.73Å; H337-S382 VanDerWaalsContact NE2-OG 3.12Å; H337-L384 HydrophobicContact CB-CD1 4.27Å; H337-L384 HydrophobicContact CB-CD2 4.03Å
338	Y	97.1	Very high	94.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.8	-31.4	-178.5	-69	-59.4	0	0	0	113	K334 C335 V341 T342 V389 L391 F407 E410 L414	K334-Y338 HydrophobicContact CB-CE2 4.5Å; K334-Y338 WeakPolarHBondContact O-CD2 3.16Å; K334-Y338 PolarHBondContact O-N 3.33Å; C335-Y338 PolarHBondContact O-N 3.05Å; Y338-V341 PolarHBondContact O-N 2.92Å; Y338-T342 WeakPolarHBondContact O-CG2 3.5Å; Y338-T342 PolarHBondContact O-N 2.92Å; Y338-T342 PolarHBondContact O-OG1 3.36Å; Y338-V389 WeakPolarHBondContact OH-CB 3.47Å; Y338-L391 HydrophobicContact CD1-CB 3.76Å; Y338-L391 HydrophobicContact CD1-CD2 4.02Å; Y338-L391 HydrophobicContact CD1-CG 4.48Å; Y338-L391 HydrophobicContact CE1-CB 3.99Å; Y338-F407 AromaticContact CD1-CD1 3.92Å; Y338-F407 HydrophobicContact CD1-CD1 3.92Å; Y338-F407 AromaticContact CD1-CE1 3.8Å; Y338-F407 HydrophobicContact CD1-CE1 3.8Å; Y338-F407 HydrophobicContact CD2-CD1 4.2Å; Y338-F407 AromaticContact CD2-CE1 3.97Å; Y338-F407 HydrophobicContact CD2-CE1 3.97Å; Y338-F407 AromaticContact CE1-CD1 3.74Å; Y338-F407 HydrophobicContact CE1-CD1 3.74Å; Y338-F407 HydrophobicContact CE1-CE1 4.12Å; Y338-F407 HydrophobicContact CE2-CD1 4.05Å; Y338-F407 HydrophobicContact CE2-CE1 4.29Å; Y338-F407 HydrophobicContact CG-CD1 4.15Å; Y338-F407 AromaticContact CG-CE1 3.73Å; Y338-F407 HydrophobicContact CG-CE1 3.73Å; Y338-F407 AromaticContact CZ-CD1 3.81Å; Y338-E410 HydrophobicContact CE2-CG 3.91Å; Y338-E410 WeakPolarHBondContact CE2-OE1 3.35Å; Y338-E410 WeakPolarHBondContact OH-CG 3.47Å; Y338-E410 PolarHBondContact OH-OE1 2.79Å; Y338-L414 HydrophobicContact CD2-CD2 3.96Å; Y338-L414 HydrophobicContact CE2-CD2 3.72Å
339	M	96.2	Very high	93.2	Very high	12 Å²	12	38.1 Å²	38.1	6%	0.059	24%	0.237	C	C	.	.	H	α-helix	trans	-58.5	-50.3	169.9	-79	178.8	70.1	0	0	111.8	C335 H337 V341 T342 E343 L462 Q463 R466	C335-M339 VanDerWaalsContact O-CB 3.29Å; C335-M339 WeakPolarHBondContact O-CB 3.27Å; C335-M339 WeakPolarHBondContact O-CG 3.01Å; C335-M339 PolarHBondContact O-N 3.19Å; H337-M339 VanDerWaalsContact C-N 3.29Å; H337-M339 PolarHBondContact O-N 2.98Å; M339-V341 VanDerWaalsContact C-N 3.27Å; M339-V341 PolarHBondContact O-N 3.38Å; M339-T342 WeakPolarHBondContact CA-OG1 3.45Å; M339-T342 CarbonylContact O-C 3.53Å; M339-T342 PolarHBondContact O-N 2.81Å; M339-T342 PolarHBondContact O-OG1 3.37Å; M339-E343 WeakPolarHBondContact O-CG 3.27Å; M339-E343 PolarHBondContact O-N 3.08Å; M339-L462 HydrophobicContact CG-CB 3.61Å; M339-L462 HydrophobicContact CG-CD1 4.26Å; M339-L462 HydrophobicContact SD-CB 4.38Å; M339-Q463 HydrophobicContact CE-CB 3.98Å; M339-Q463 HydrophobicContact CE-CG 4.47Å; M339-Q463 HydrophobicContact SD-CB 4.18Å; M339-R466 VanDerWaalsContact CE-NH1 3.33Å; M339-R466 PolarHBondContact SD-NH1 3.43Å
340	A	95.2	Very high	91.7	Very high	53 Å²	53	45.3 Å²	45.3	44%	0.438	27%	0.266	S	S	.	.	H	α-helix	trans	-59.6	-38.2	178.1	0	0	0	0	0	112.2	S336 H337 E343 T344	S336-A340 PolarHBondContact O-N 2.96Å; S336-A340 VanDerWaalsContact O-N 3.14Å; H337-A340 WeakPolarHBondContact O-CB 3.49Å; H337-A340 PolarHBondContact O-N 3.09Å; H337-A340 VanDerWaalsContact O-N 3.14Å; A340-E343 PolarHBondContact O-N 2.95Å; A340-T344 PolarHBondContact O-N 3.17Å; A340-T344 PolarHBondContact O-OG1 2.95Å; A340-T344 VanDerWaalsContact O-OG1 3.07Å
341	V	93.9	Very high	90	Very high	36 Å²	36	46.8 Å²	46.8	22%	0.218	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-48.5	173.4	177.4	0	0	0	0	110.6	H337 Y338 M339 E343 T344 F347 L391	H337-V341 WeakPolarHBondContact O-CG2 3.5Å; H337-V341 PolarHBondContact O-N 3.19Å; H337-V341 VanDerWaalsContact O-N 3.09Å; Y338-V341 PolarHBondContact O-N 2.92Å; M339-V341 VanDerWaalsContact C-N 3.27Å; M339-V341 PolarHBondContact O-N 3.38Å; V341-E343 PolarHBondContact O-N 3.44Å; V341-T344 VanDerWaalsContact O-CB 3.32Å; V341-T344 WeakPolarHBondContact O-CB 3.29Å; V341-T344 PolarHBondContact O-N 3.48Å; V341-T344 PolarHBondContact O-OG1 3.01Å; V341-F347 HydrophobicContact CG1-CD2 4.21Å; V341-F347 HydrophobicContact CG1-CE2 4.05Å; V341-L391 HydrophobicContact CG1-CB 4.1Å; V341-L391 HydrophobicContact CG1-CD2 4.37Å
342	T	92.9	Very high	87.9	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.5	-23.3	178.7	59.3	0	0	0	0	113.4	Y338 M339 T344 F347 L391 L458 R459 L462	Y338-T342 WeakPolarHBondContact O-CG2 3.5Å; Y338-T342 PolarHBondContact O-N 2.92Å; Y338-T342 PolarHBondContact O-OG1 3.36Å; M339-T342 WeakPolarHBondContact CA-OG1 3.45Å; M339-T342 CarbonylContact O-C 3.53Å; M339-T342 PolarHBondContact O-N 2.81Å; M339-T342 PolarHBondContact O-OG1 3.37Å; T342-T344 VanDerWaalsContact C-N 3.34Å; T342-F347 HydrophobicContact CG2-CD1 4.36Å; T342-F347 HydrophobicContact CG2-CE1 3.82Å; T342-F347 HydrophobicContact CG2-CZ 4.01Å; T342-L391 HydrophobicContact CG2-CD2 3.64Å; T342-L458 HydrophobicContact CG2-CD2 4.05Å; T342-R459 HydrophobicContact CG2-CG 4.39Å; T342-R459 VanDerWaalsContact O-CZ 3.24Å; T342-R459 PolarHBondContact O-NE 2.97Å; T342-R459 PolarHBondContact O-NH2 3.2Å; T342-R459 VanDerWaalsContact OG1-CG 3.29Å; T342-R459 WeakPolarHBondContact OG1-CG 3.02Å; T342-L462 HydrophobicContact CG2-CD1 4.32Å
343	E	92.3	Very high	85.3	Confident	125 Å²	125	60.5 Å²	60.5	58%	0.584	34%	0.338	S	S	*	.	H	α-helix	trans	-83.9	-9.4	178	-73	168.4	-173.2	0	0	113	M339 A340 V341	M339-E343 WeakPolarHBondContact O-CG 3.27Å; M339-E343 PolarHBondContact O-N 3.08Å; A340-E343 PolarHBondContact O-N 2.95Å; V341-E343 PolarHBondContact O-N 3.44Å
344	T	91.2	Very high	82.5	Confident	75 Å²	75	63.4 Å²	63.4	46%	0.46	36%	0.357	S	S	.	.	S	Bend	trans	-64.7	133.4	179.4	-59.7	0	0	0	0	110.6	A340 V341 T342 G346 F347	A340-T344 PolarHBondContact O-N 3.17Å; A340-T344 PolarHBondContact O-OG1 2.95Å; A340-T344 VanDerWaalsContact O-OG1 3.07Å; V341-T344 VanDerWaalsContact O-CB 3.32Å; V341-T344 WeakPolarHBondContact O-CB 3.29Å; V341-T344 PolarHBondContact O-N 3.48Å; V341-T344 PolarHBondContact O-OG1 3.01Å; T342-T344 VanDerWaalsContact C-N 3.34Å; T344-G346 PolarHBondContact O-N 2.68Å; T344-F347 WeakPolarHBondContact O-CB 3.36Å; T344-F347 PolarHBondContact O-N 2.84Å; T344-F347 VanDerWaalsContact O-N 3.16Å
345	P	86	Confident	79.3	Confident	127 Å²	127	71.2 Å²	71.2	83%	0.825	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	135.3	176.1	-24.6	33.9	0	0	0	111.5
346	G	84.7	Confident	76.3	Confident	35 Å²	35	76.5 Å²	76.5	36%	0.361	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-2.7	-178	0	0	0	0	0	115.2	T344 G348 D349	T344-G346 PolarHBondContact O-N 2.68Å; G346-G348 PolarHBondContact O-N 3.3Å; G346-D349 WeakPolarHBondContact CA-OD2 3.49Å; G346-D349 PolarHBondContact O-N 2.98Å
347	F	87.1	Confident	73.5	Confident	29 Å²	29	81.8 Å²	81.8	13%	0.127	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	113	177.3	-176.9	-96.4	0	0	0	111.1	V341 T342 T344 L391 V393 F405 I455	V341-F347 HydrophobicContact CG1-CD2 4.21Å; V341-F347 HydrophobicContact CG1-CE2 4.05Å; T342-F347 HydrophobicContact CG2-CD1 4.36Å; T342-F347 HydrophobicContact CG2-CE1 3.82Å; T342-F347 HydrophobicContact CG2-CZ 4.01Å; T344-F347 WeakPolarHBondContact O-CB 3.36Å; T344-F347 PolarHBondContact O-N 2.84Å; T344-F347 VanDerWaalsContact O-N 3.16Å; F347-L391 HydrophobicContact CE2-CD2 4.33Å; F347-L391 HydrophobicContact CE2-CG 4.07Å; F347-L391 HydrophobicContact CZ-CD2 3.98Å; F347-L391 HydrophobicContact CZ-CG 3.91Å; F347-V393 HydrophobicContact CD1-CG2 4.45Å; F347-V393 HydrophobicContact CE1-CG2 3.83Å; F347-V393 HydrophobicContact CE2-CG2 4.21Å; F347-V393 HydrophobicContact CZ-CG2 3.68Å; F347-F405 HydrophobicContact CE1-CD1 4.49Å; F347-F405 HydrophobicContact CE1-CE1 4.08Å; F347-F405 HydrophobicContact CZ-CD1 4.28Å; F347-F405 HydrophobicContact CZ-CE1 4.33Å; F347-I455 HydrophobicContact CD1-CG2 4.04Å; F347-I455 HydrophobicContact CE1-CG2 4.17Å
348	G	82.4	Confident	70.5	Confident	11 Å²	11	85.9 Å²	85.9	11%	0.113	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	1.2	-176.6	0	0	0	0	0	115.6	G346	G346-G348 PolarHBondContact O-N 3.3Å
349	D	77.6	Confident	67.3	Low	105 Å²	105	93.5 Å²	93.5	56%	0.561	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-27.1	176.7	-68.4	-25.3	0	0	0	112.4	G346 K400	G346-D349 WeakPolarHBondContact CA-OD2 3.49Å; G346-D349 PolarHBondContact O-N 2.98Å; D349-K400 IonicContact OD1-NZ 3.55Å
350	H	66.1	Low	64.2	Low	170 Å²	170	99.6 Å²	99.6	79%	0.787	54%	0.543	S	S	*	.			trans	-109.3	94.3	172.2	-63.1	-63.8	0	0	0	109.9
351	V	62.8	Low	61.2	Low	40 Å²	40	102.5 Å²	102.5	24%	0.242	56%	0.558	C	S	.	*			trans	-94.2	103.2	163.5	-178.9	0	0	0	0	106.5	E353 V393 I396	V351-E353 VanDerWaalsContact C-N 3.35Å; V351-E353 PolarHBondContact O-N 3.22Å; V351-V393 HydrophobicContact CG2-CB 4.32Å; V351-V393 HydrophobicContact CG2-CG1 3.88Å; V351-I396 HydrophobicContact CG2-CB 4.33Å; V351-I396 HydrophobicContact CG2-CG2 3.6Å
352	E	53.8	Low	58.2	Low	151 Å²	151	109.8 Å²	109.8	71%	0.706	59%	0.586	S	S	*	*			trans	-65.2	104.6	159.4	-78.8	-172.1	169.2	0	0	106.2	C354	E352-C354 PolarHBondContact O-N 2.86Å
353	E	44	Very low	55.1	Low	159 Å²	159	116.3 Å²	116.3	74%	0.743	62%	0.622	S	S	*	*			trans	-55.5	110.9	166.8	-75.4	-177.8	170.9	0	0	107.1	V351 K355	V351-E353 VanDerWaalsContact C-N 3.35Å; V351-E353 PolarHBondContact O-N 3.22Å; E353-K355 PolarHBondContact O-N 2.83Å
354	C	39.5	Very low	52	Low	108 Å²	108	117 Å²	117	73%	0.73	63%	0.629	S	S	*	*			trans	-60	89.6	165.9	-80	0	0	0	0	107.3	E352	E352-C354 PolarHBondContact O-N 2.86Å
355	K	30.5	Very low	48.9	Very low	173 Å²	173	118.9 Å²	118.9	75%	0.752	64%	0.641	S	S	*	*			trans	-57.3	128.8	169.2	-75.2	-176	178.6	178.8	0	107	E353 L357	E353-K355 PolarHBondContact O-N 2.83Å; K355-L357 PolarHBondContact O-N 3.44Å; K355-L357 VanDerWaalsContact O-N 3.1Å
356	P	33.5	Very low	46	Very low	111 Å²	111	121.9 Å²	121.9	72%	0.721	64%	0.644	S	S	*	*			trans	-57.9	121.9	175.9	21.6	-29.8	0	0	0	108.5	I358	P356-I358 PolarHBondContact O-N 3.23Å
357	L	39.1	Very low	43.1	Very low	158 Å²	158	123.4 Å²	123.4	83%	0.827	66%	0.66	S	S	*	*			trans	-69.7	76.2	172.5	-77.1	160.6	0	0	0	108.9	K355 L374	K355-L357 PolarHBondContact O-N 3.44Å; K355-L357 VanDerWaalsContact O-N 3.1Å; L357-L374 HydrophobicContact CD1-CD2 4.41Å
358	I	33.6	Very low	40.2	Very low	125 Å²	125	131 Å²	131	64%	0.641	70%	0.695	S	S	*	*			trans	-138.4	70.9	165.5	-49.3	177.7	0	0	0	107.8	P356 I360	P356-I358 PolarHBondContact O-N 3.23Å; I358-I360 HydrophobicContact CG2-CD1 3.98Å; I358-I360 HydrophobicContact CG2-CG1 3.77Å
359	D	31.5	Very low	37.4	Very low	160 Å²	160	137.3 Å²	137.3	86%	0.856	73%	0.731	S	S	*	*			trans	-93.3	96.2	150.4	-81.7	-27.2	0	0	0	106.1	P361	D359-P361 WeakPolarHBondContact O-CD 3.26Å
360	I	31.4	Very low	34.9	Very low	140 Å²	140	137.3 Å²	137.3	72%	0.718	74%	0.74	S	S	*	*			trans	-71.6	109	165.3	-63.6	166.1	0	0	0	105.6	I358 K362	I358-I360 HydrophobicContact CG2-CD1 3.98Å; I358-I360 HydrophobicContact CG2-CG1 3.77Å; I360-K362 PolarHBondContact O-N 2.69Å; I360-K362 VanDerWaalsContact O-N 3.15Å
361	P	31.2	Very low	33	Very low	114 Å²	114	137.6 Å²	137.6	74%	0.74	74%	0.741	S	S	*	*			trans	-73.2	115.4	178.7	-8.9	27.6	0	0	0	107.6	D359 N363	D359-P361 WeakPolarHBondContact O-CD 3.26Å; P361-N363 PolarHBondContact O-N 2.9Å
362	K	30	Very low	31.3	Very low	189 Å²	189	145.2 Å²	145.2	82%	0.822	77%	0.771	S	S	*	*			trans	-65.8	126.4	163.4	-70.6	177.9	177.8	175.6	0	107.6	I360	I360-K362 PolarHBondContact O-N 2.69Å; I360-K362 VanDerWaalsContact O-N 3.15Å
363	N	27.9	Very low	30	Very low	138 Å²	138	144 Å²	144	74%	0.738	77%	0.77	S	S	*	*			trans	90.8	117.6	165	-59.2	-13.2	0	0	0	118.1	P361	P361-N363 PolarHBondContact O-N 2.9Å
364	N	28	Very low	29.4	Very low	140 Å²	140	143.3 Å²	143.3	75%	0.749	77%	0.77	S	S	*	*				86.9	109.4	128.8	-69.1	1.1	0	0	0	120
365	T	25.6	Very low	28.9	Very low	114 Å²	114	144.4 Å²	144.4	70%	0.699	77%	0.768	S	S	*	*			trans	56.2	119.1	134.4	17.9	0	0	0	0	120.2
366	E	25.1	Very low	29	Very low	190 Å²	190	142.2 Å²	142.2	89%	0.888	76%	0.759	S	S	*	*			trans	73.3	121.5	145.4	-65.8	174.5	-165.6	0	0	119.2
367	G	24.7	Very low	29.2	Very low	67 Å²	67	141.3 Å²	141.3	69%	0.691	75%	0.753	S	S	*	*			trans	121.5	100.5	152.1	0	0	0	0	0	115.9
368	H	25.8	Very low	29.7	Very low	187 Å²	187	142.9 Å²	142.9	87%	0.866	75%	0.753	S	S	*	*			trans	50.7	95.1	154.4	-62.1	-70.5	0	0	0	118.6	S370	H368-S370 VanDerWaalsContact C-N 3.29Å; H368-S370 PolarHBondContact O-N 3.02Å
369	T	22.9	Very low	30.8	Very low	144 Å²	144	138.3 Å²	138.3	88%	0.883	74%	0.737	S	S	*	*			trans	-65.3	87	155.8	37.9	0	0	0	0	110.2	E371	T369-E371 PolarHBondContact O-N 3.29Å
370	S	25.1	Very low	32.7	Very low	105 Å²	105	137.7 Å²	137.7	73%	0.734	73%	0.734	S	S	*	*			trans	-67.8	110.5	147.5	-70.7	0	0	0	0	106.6	H368 K372	H368-S370 VanDerWaalsContact C-N 3.29Å; H368-S370 PolarHBondContact O-N 3.02Å; S370-K372 PolarHBondContact O-N 3.05Å
371	E	26.1	Very low	35.3	Very low	176 Å²	176	133.8 Å²	133.8	82%	0.822	71%	0.71	S	S	*	*			trans	-48.9	99.8	168.7	-71.6	176	152.9	0	0	108.8	T369 N373	T369-E371 PolarHBondContact O-N 3.29Å; E371-N373 PolarHBondContact O-N 3.16Å
372	K	27.1	Very low	38.2	Very low	200 Å²	200	130 Å²	130	87%	0.87	69%	0.687	S	S	*	*			trans	-69	93.3	166.8	-74.5	-175.4	178.8	177.7	0	105.8	S370 L374	S370-K372 PolarHBondContact O-N 3.05Å; K372-L374 PolarHBondContact O-N 3.26Å; K372-L374 VanDerWaalsContact O-N 3.11Å
373	N	27.8	Very low	41.1	Very low	127 Å²	127	129.4 Å²	129.4	68%	0.679	68%	0.68	S	S	*	*			trans	-40.8	121	163.3	-77.3	-41.2	0	0	0	108.4	E371 L375	E371-N373 PolarHBondContact O-N 3.16Å; N373-L375 HydrophobicContact CB-CD1 3.97Å; N373-L375 HydrophobicContact CB-CG 4.27Å; N373-L375 PolarHBondContact O-N 3.22Å
374	L	31	Very low	44.1	Very low	143 Å²	143	123.7 Å²	123.7	75%	0.749	65%	0.65	S	S	*	*			trans	-60.2	74.4	167.4	-82.1	134.1	0	0	0	108.6	L357 K372 F376	L357-L374 HydrophobicContact CD1-CD2 4.41Å; K372-L374 PolarHBondContact O-N 3.26Å; K372-L374 VanDerWaalsContact O-N 3.11Å; L374-F376 PolarHBondContact O-N 2.87Å
375	L	28.6	Very low	46.9	Very low	132 Å²	132	119 Å²	119	69%	0.691	62%	0.624	S	S	*	*			trans	-81.5	93	169	-78.1	141.8	0	0	0	105.8	N373	N373-L375 HydrophobicContact CB-CD1 3.97Å; N373-L375 HydrophobicContact CB-CG 4.27Å; N373-L375 PolarHBondContact O-N 3.22Å
376	F	33.9	Very low	49.8	Very low	127 Å²	127	115.1 Å²	115.1	56%	0.557	61%	0.607	S	S	*	*			trans	-46.6	129.7	152.8	-67.3	-88.2	0	0	0	106.8	L374 K378	L374-F376 PolarHBondContact O-N 2.87Å; F376-K378 PolarHBondContact O-N 2.94Å; F376-K378 VanDerWaalsContact O-N 3.15Å
377	P	37.8	Very low	52.9	Low	92 Å²	92	108.4 Å²	108.4	60%	0.597	57%	0.573	S	S	*	*			trans	-51.9	129.1	175.7	19.7	-29	0	0	0	107.8	G379	P377-G379 PolarHBondContact O-N 3.01Å
378	K	48	Very low	56.1	Low	191 Å²	191	109.9 Å²	109.9	83%	0.83	56%	0.563	S	S	*	*			trans	-60.4	89.4	-179.3	-74.3	-175.4	175.7	-175.6	0	108.5	F376	F376-K378 PolarHBondContact O-N 2.94Å; F376-K378 VanDerWaalsContact O-N 3.15Å
379	G	58.2	Low	59.4	Low	29 Å²	29	101.2 Å²	101.2	30%	0.299	52%	0.522	S	S	.	.			trans	-65	-172	170.4	0	0	0	0	0	110.9	P377 R381 E392	P377-G379 PolarHBondContact O-N 3.01Å; G379-R381 PolarHBondContact O-N 3.16Å; G379-E392 WeakPolarHBondContact CA-OE1 3.33Å
380	N	70.2	Confident	62.8	Low	147 Å²	147	94.4 Å²	94.4	79%	0.786	48%	0.481	S	S	*	.	S	Bend	trans	-66.9	72.4	-179.9	-71.4	-21	0	0	0	111.5
381	R	87.2	Confident	66.2	Low	57 Å²	57	89.8 Å²	89.8	22%	0.215	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	143.2	167.9	-62.4	-72.2	170.3	-75.4	-10.7	109.1	G379 E388 V389 E392 F408	G379-R381 PolarHBondContact O-N 3.16Å; R381-E388 HydrophobicContact CB-CG 3.83Å; R381-E388 WeakPolarHBondContact CB-OE1 3.44Å; R381-E388 HydrophobicContact CG-CG 4.27Å; R381-E388 WeakPolarHBondContact CG-OE1 3.39Å; R381-V389 CarbonylContact C-O 3.45Å; R381-V389 WeakPolarHBondContact CA-O 3.06Å; R381-E392 IonicContact CZ-OE1 3.39Å; R381-E392 IonicContact NH1-OE1 3.22Å; R381-E392 PolarHBondContact NH1-OE1 3.03Å; R381-E392 IonicContact NH2-OE1 2.72Å; R381-E392 PolarHBondContact NH2-OE1 3.06Å; R381-E392 VanDerWaalsContact NH2-OE1 3.11Å; R381-E392 IonicContact NH2-OE2 3.99Å; R381-E392 PolarHBondContact NH2-OE2 3.04Å; R381-F408 VanDerWaalsContact CZ-CE2 3.45Å; R381-F408 VanDerWaalsContact CZ-CG 3.44Å; R381-F408 VanDerWaalsContact NH2-CD2 3.28Å
382	S	91	Very high	69.3	Low	36 Å²	36	84 Å²	84	25%	0.252	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	178.6	178.5	66.2	0	0	0	0	109.4	H337 E388 V389	H337-S382 PolarHBondContact CE1-OG 2.73Å; H337-S382 PolarHBondContact NE2-OG 2.73Å; H337-S382 VanDerWaalsContact NE2-OG 3.12Å; S382-E388 CarbonylContact O-C 3.47Å; S382-E388 VanDerWaalsContact O-CA 3.31Å; S382-E388 WeakPolarHBondContact O-CA 3.48Å; S382-V389 PolarHBondContact N-O 3.13Å; S382-V389 PolarHBondContact O-N 3.26Å
383	Y	90.5	Very high	72.5	Confident	175 Å²	175	75.3 Å²	75.3	69%	0.686	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	132.3	178.9	-76.9	-100.4	0	0	0	111.3	R387 E388	Y383-R387 CarbonylContact C-O 3.57Å; Y383-R387 VanDerWaalsContact CA-O 3.27Å; Y383-R387 WeakPolarHBondContact CA-O 3.4Å; Y383-E388 HydrophobicContact CE1-CB 4.36Å
384	L	91.4	Very high	75.5	Confident	19 Å²	19	71.4 Å²	71.4	10%	0.099	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	126.4	176.1	-178.8	65.1	0	0	0	109.7	K334 H337 G386 R387 V389	K334-L384 HydrophobicContact CB-CD2 4.32Å; K334-L384 HydrophobicContact CG-CD2 3.73Å; H337-L384 HydrophobicContact CB-CD1 4.27Å; H337-L384 HydrophobicContact CB-CD2 4.03Å; L384-G386 PolarHBondContact O-N 2.85Å; L384-G386 VanDerWaalsContact O-N 3.17Å; L384-R387 PolarHBondContact N-O 3.16Å; L384-R387 PolarHBondContact O-N 3.05Å; L384-R387 VanDerWaalsContact O-N 3.08Å; L384-V389 HydrophobicContact CB-CB 4.45Å; L384-V389 HydrophobicContact CB-CG1 4.01Å; L384-V389 HydrophobicContact CB-CG2 3.55Å
385	N	86.5	Confident	78.5	Confident	41 Å²	41	69.1 Å²	69.1	22%	0.219	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	39.3	179.4	-58.3	-39.7	0	0	0	113.9	F113	F113-N385 WeakPolarHBondContact CE1-O 3.35Å; F113-N385 VanDerWaalsContact CZ-C 3.4Å; F113-N385 WeakPolarHBondContact CZ-O 3.11Å
386	G	86.6	Confident	81.6	Confident	32 Å²	32	64.4 Å²	64.4	33%	0.33	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	0	177.1	0	0	0	0	0	115.5	F113 L384	F113-G386 VanDerWaalsContact CD1-CA 3.49Å; L384-G386 PolarHBondContact O-N 2.85Å; L384-G386 VanDerWaalsContact O-N 3.17Å
387	R	90.1	Very high	84.4	Confident	49 Å²	49	59.6 Å²	59.6	19%	0.185	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	152.3	179.3	-71.1	-175.9	65.8	130.1	-4.3	112.3	I219 R221 D222 Y383 L384 D441	I219-R387 HydrophobicContact CD1-CG 4.01Å; R221-R387 VanDerWaalsContact CD-NH1 3.28Å; R221-R387 VanDerWaalsContact CG-NH1 3.25Å; D222-R387 IonicContact OD1-CZ 3.49Å; D222-R387 IonicContact OD1-NE 3.75Å; D222-R387 IonicContact OD1-NH1 2.66Å; D222-R387 PolarHBondContact OD1-NH1 3.49Å; Y383-R387 CarbonylContact C-O 3.57Å; Y383-R387 VanDerWaalsContact CA-O 3.27Å; Y383-R387 WeakPolarHBondContact CA-O 3.4Å; L384-R387 PolarHBondContact N-O 3.16Å; L384-R387 PolarHBondContact O-N 3.05Å; L384-R387 VanDerWaalsContact O-N 3.08Å; R387-D441 IonicContact CZ-OD2 2.8Å; R387-D441 IonicContact NE-OD2 4Å; R387-D441 IonicContact NH2-OD1 3.72Å; R387-D441 PolarHBondContact NH2-OD1 2.89Å; R387-D441 IonicContact NH2-OD2 2.93Å; R387-D441 PolarHBondContact NH2-OD2 3.45Å
388	E	92.6	Very high	86.9	Confident	99 Å²	99	65 Å²	65	46%	0.463	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	128.7	168.8	-171	174.6	-159.4	0	0	109.4	R381 S382 Y383	R381-E388 HydrophobicContact CB-CG 3.83Å; R381-E388 WeakPolarHBondContact CB-OE1 3.44Å; R381-E388 HydrophobicContact CG-CG 4.27Å; R381-E388 WeakPolarHBondContact CG-OE1 3.39Å; S382-E388 CarbonylContact O-C 3.47Å; S382-E388 VanDerWaalsContact O-CA 3.31Å; S382-E388 WeakPolarHBondContact O-CA 3.48Å; Y383-E388 HydrophobicContact CE1-CB 4.36Å
389	V	95.3	Very high	89	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.024	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	158.3	178.6	-61.4	0	0	0	0	110.4	Y338 R381 S382 L384 F408	Y338-V389 WeakPolarHBondContact OH-CB 3.47Å; R381-V389 CarbonylContact C-O 3.45Å; R381-V389 WeakPolarHBondContact CA-O 3.06Å; S382-V389 PolarHBondContact N-O 3.13Å; S382-V389 PolarHBondContact O-N 3.26Å; L384-V389 HydrophobicContact CB-CB 4.45Å; L384-V389 HydrophobicContact CB-CG1 4.01Å; L384-V389 HydrophobicContact CB-CG2 3.55Å; V389-F408 VanDerWaalsContact CA-O 3.27Å; V389-F408 WeakPolarHBondContact CA-O 3.25Å
390	G	94.2	Very high	90.6	Very high	2 Å²	2	64 Å²	64	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	159	176.5	0	0	0	0	0	111.9	F407 F408	G390-F407 CarbonylContact O-C 3.53Å; G390-F407 WeakPolarHBondContact O-CA 3.4Å; G390-F408 PolarHBondContact N-O 3.46Å; G390-F408 PolarHBondContact O-N 3.26Å
391	L	95.2	Very high	91.8	Very high	7 Å²	7	58.2 Å²	58.2	4%	0.037	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	119.2	172.6	172	60	0	0	0	108.7	Y338 V341 T342 F347 F405 T406 F407 L458	Y338-L391 HydrophobicContact CD1-CB 3.76Å; Y338-L391 HydrophobicContact CD1-CD2 4.02Å; Y338-L391 HydrophobicContact CD1-CG 4.48Å; Y338-L391 HydrophobicContact CE1-CB 3.99Å; V341-L391 HydrophobicContact CG1-CB 4.1Å; V341-L391 HydrophobicContact CG1-CD2 4.37Å; T342-L391 HydrophobicContact CG2-CD2 3.64Å; F347-L391 HydrophobicContact CE2-CD2 4.33Å; F347-L391 HydrophobicContact CE2-CG 4.07Å; F347-L391 HydrophobicContact CZ-CD2 3.98Å; F347-L391 HydrophobicContact CZ-CG 3.91Å; L391-F405 HydrophobicContact CD1-CB 3.95Å; L391-F405 HydrophobicContact CD1-CD1 4.45Å; L391-T406 WeakPolarHBondContact CA-O 3.45Å; L391-F407 HydrophobicContact CD1-CD1 3.92Å; L391-F407 HydrophobicContact CD1-CD2 3.85Å; L391-F407 HydrophobicContact CD1-CE1 3.71Å; L391-F407 HydrophobicContact CD1-CE2 3.63Å; L391-F407 HydrophobicContact CD1-CG 3.98Å; L391-F407 HydrophobicContact CD1-CZ 3.55Å; L391-F407 HydrophobicContact CD2-CE1 4.01Å; L391-F407 HydrophobicContact CD2-CZ 4.14Å; L391-F407 HydrophobicContact CG-CE1 4.32Å; L391-F407 HydrophobicContact CG-CZ 4.45Å; L391-L458 HydrophobicContact CD2-CD2 4.31Å
392	E	92.6	Very high	92.3	Very high	56 Å²	56	60.6 Å²	60.6	26%	0.262	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	153.8	-178.8	-68.8	174.7	178.9	0	0	110.7	G379 R381 F405 T406 F408	G379-E392 WeakPolarHBondContact CA-OE1 3.33Å; R381-E392 IonicContact CZ-OE1 3.39Å; R381-E392 IonicContact NH1-OE1 3.22Å; R381-E392 PolarHBondContact NH1-OE1 3.03Å; R381-E392 IonicContact NH2-OE1 2.72Å; R381-E392 PolarHBondContact NH2-OE1 3.06Å; R381-E392 VanDerWaalsContact NH2-OE1 3.11Å; R381-E392 IonicContact NH2-OE2 3.99Å; R381-E392 PolarHBondContact NH2-OE2 3.04Å; E392-F405 CarbonylContact O-C 3.58Å; E392-F405 VanDerWaalsContact O-CA 3.26Å; E392-F405 WeakPolarHBondContact O-CA 3.2Å; E392-T406 PolarHBondContact N-O 2.8Å; E392-T406 PolarHBondContact O-N 2.84Å; E392-F408 HydrophobicContact CB-CE2 4.22Å; E392-F408 HydrophobicContact CG-CE2 4.06Å; E392-F408 WeakPolarHBondContact OE2-CE2 3.44Å; E392-F408 WeakPolarHBondContact OE2-CZ 3.38Å
393	V	93.4	Very high	92.5	Very high	17 Å²	17	58.9 Å²	58.9	10%	0.103	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	101.6	171.9	-176.4	0	0	0	0	107.5	F347 V351 I396 F405	F347-V393 HydrophobicContact CD1-CG2 4.45Å; F347-V393 HydrophobicContact CE1-CG2 3.83Å; F347-V393 HydrophobicContact CE2-CG2 4.21Å; F347-V393 HydrophobicContact CZ-CG2 3.68Å; V351-V393 HydrophobicContact CG2-CB 4.32Å; V351-V393 HydrophobicContact CG2-CG1 3.88Å; V393-I396 HydrophobicContact CG1-CB 4.06Å; V393-F405 HydrophobicContact CG2-CD1 3.95Å; V393-F405 HydrophobicContact CG2-CE1 3.89Å
394	A	91.9	Very high	92.8	Very high	45 Å²	45	51.9 Å²	51.9	37%	0.372	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-32.4	179.6	0	0	0	0	0	112.1	T404	A394-T404 HydrophobicContact CB-CG2 4.28Å; A394-T404 PolarHBondContact N-O 2.64Å
395	H	93.3	Very high	93.1	Very high	94 Å²	94	51 Å²	51	44%	0.435	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	142.8	177.5	173.3	-87.1	0	0	0	110.3	A403 T404	H395-A403 CarbonylContact O-C 3.58Å; H395-A403 VanDerWaalsContact O-CA 3.23Å; H395-A403 WeakPolarHBondContact O-CA 3.49Å; H395-T404 PolarHBondContact N-O 3.3Å; H395-T404 PolarHBondContact O-N 2.66Å
396	I	94	Very high	93.5	Very high	34 Å²	34	49.6 Å²	49.6	17%	0.174	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	136	169.6	-163.4	162.7	0	0	0	110.3	V351 V393 K400 R402 A403 I455	V351-I396 HydrophobicContact CG2-CB 4.33Å; V351-I396 HydrophobicContact CG2-CG2 3.6Å; V393-I396 HydrophobicContact CG1-CB 4.06Å; I396-K400 HydrophobicContact CD1-CB 4.19Å; I396-K400 HydrophobicContact CD1-CD 4.49Å; I396-K400 HydrophobicContact CD1-CG 4.02Å; I396-K400 HydrophobicContact CG1-CB 4.45Å; I396-K400 HydrophobicContact CG1-CG 4.4Å; I396-R402 WeakPolarHBondContact CA-O 3.42Å; I396-A403 HydrophobicContact CD1-CB 4.49Å; I396-A403 HydrophobicContact CG1-CB 4.14Å; I396-I455 HydrophobicContact CD1-CD1 3.67Å; I396-I455 HydrophobicContact CD1-CG1 4.07Å
397	S	93.4	Very high	94	Very high	25 Å²	25	48.1 Å²	48.1	18%	0.175	24%	0.239	C	C	.	.			trans	-71.7	156.8	173.1	62.2	0	0	0	0	111.4	D399 K400 S401 R402	S397-D399 VanDerWaalsContact C-N 3.26Å; S397-D399 VanDerWaalsContact CB-OD1 3.27Å; S397-D399 WeakPolarHBondContact CB-OD1 3.35Å; S397-D399 PolarHBondContact O-N 3.5Å; S397-D399 PolarHBondContact OG-OD1 3.36Å; S397-K400 WeakPolarHBondContact O-CA 3.27Å; S397-K400 PolarHBondContact O-N 2.95Å; S397-S401 PolarHBondContact OG-N 3.19Å; S397-R402 PolarHBondContact N-O 3.38Å; S397-R402 PolarHBondContact OG-N 3.26Å; S397-R402 PolarHBondContact OG-O 2.93Å
398	Q	89.5	Confident	94.3	Very high	206 Å²	206	47.3 Å²	47.3	96%	0.963	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-37.5	-179.3	-68.6	-179.8	-8.4	0	0	113.3	K400	Q398-K400 PolarHBondContact O-N 3.34Å
399	D	92.4	Very high	94.3	Very high	109 Å²	109	42.9 Å²	42.9	58%	0.583	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	1	176.6	68.2	-15.5	0	0	0	113.3	S397 S401	S397-D399 VanDerWaalsContact C-N 3.26Å; S397-D399 VanDerWaalsContact CB-OD1 3.27Å; S397-D399 WeakPolarHBondContact CB-OD1 3.35Å; S397-D399 PolarHBondContact O-N 3.5Å; S397-D399 PolarHBondContact OG-OD1 3.36Å; D399-S401 PolarHBondContact O-N 2.78Å; D399-S401 PolarHBondContact OD1-N 3.46Å; D399-S401 VanDerWaalsContact OD1-N 3.11Å; D399-S401 PolarHBondContact OD1-OG 3.24Å; D399-S401 VanDerWaalsContact OD2-CB 3.23Å; D399-S401 WeakPolarHBondContact OD2-CB 3.12Å; D399-S401 PolarHBondContact OD2-OG 3.07Å
400	K	92.3	Very high	94.4	Very high	91 Å²	91	42.7 Å²	42.7	40%	0.396	22%	0.217	S	C	.	.	S	Bend	trans	57.8	12.3	-175.5	-54	-174.3	176.2	-167.6	0	114.3	D349 I396 S397 Q398 R402 S453 A454	D349-K400 IonicContact OD1-NZ 3.55Å; I396-K400 HydrophobicContact CD1-CB 4.19Å; I396-K400 HydrophobicContact CD1-CD 4.49Å; I396-K400 HydrophobicContact CD1-CG 4.02Å; I396-K400 HydrophobicContact CG1-CB 4.45Å; I396-K400 HydrophobicContact CG1-CG 4.4Å; S397-K400 WeakPolarHBondContact O-CA 3.27Å; S397-K400 PolarHBondContact O-N 2.95Å; Q398-K400 PolarHBondContact O-N 3.34Å; K400-R402 VanDerWaalsContact C-N 3.33Å; K400-S453 WeakPolarHBondContact O-CA 3.12Å; K400-A454 PolarHBondContact O-N 3.38Å
401	S	95	Very high	94.4	Very high	25 Å²	25	43.6 Å²	43.6	18%	0.175	22%	0.221	C	C	.	.	S	Bend	trans	-76.4	-22.2	-179.3	72.4	0	0	0	0	112.6	S397 D399 Q448 M449	S397-S401 PolarHBondContact OG-N 3.19Å; D399-S401 PolarHBondContact O-N 2.78Å; D399-S401 PolarHBondContact OD1-N 3.46Å; D399-S401 VanDerWaalsContact OD1-N 3.11Å; D399-S401 PolarHBondContact OD1-OG 3.24Å; D399-S401 VanDerWaalsContact OD2-CB 3.23Å; D399-S401 WeakPolarHBondContact OD2-CB 3.12Å; D399-S401 PolarHBondContact OD2-OG 3.07Å; S401-Q448 CarbonylContact O-C 3.52Å; S401-Q448 WeakPolarHBondContact O-CA 3.39Å; S401-M449 WeakPolarHBondContact O-CB 3.27Å; S401-M449 WeakPolarHBondContact O-CG 3.28Å; S401-M449 PolarHBondContact O-N 2.99Å
402	R	96.6	Very high	94.4	Very high	106 Å²	106	46.9 Å²	46.9	40%	0.4	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.9	175.9	-173.2	177.8	-178.6	-177.4	-0.3	110.9	I396 S397 K400 D446 I447 Q448	I396-R402 WeakPolarHBondContact CA-O 3.42Å; S397-R402 PolarHBondContact N-O 3.38Å; S397-R402 PolarHBondContact OG-N 3.26Å; S397-R402 PolarHBondContact OG-O 2.93Å; K400-R402 VanDerWaalsContact C-N 3.33Å; R402-D446 IonicContact CZ-OD2 2.66Å; R402-D446 IonicContact NE-OD1 2.95Å; R402-D446 PolarHBondContact NE-OD1 3.27Å; R402-D446 IonicContact NE-OD2 3.63Å; R402-D446 PolarHBondContact NE-OD2 3.06Å; R402-D446 IonicContact NH2-OD2 3.86Å; R402-D446 PolarHBondContact NH2-OD2 3.31Å; R402-I447 VanDerWaalsContact CA-O 3.28Å; R402-I447 WeakPolarHBondContact CA-O 3.19Å; R402-Q448 HydrophobicContact CB-CG 4.47Å; R402-Q448 HydrophobicContact CG-CB 4.4Å
403	A	96.6	Very high	94.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	142.9	174	0	0	0	0	0	111.7	H395 I396 F405 I447 A454	H395-A403 CarbonylContact O-C 3.58Å; H395-A403 VanDerWaalsContact O-CA 3.23Å; H395-A403 WeakPolarHBondContact O-CA 3.49Å; I396-A403 HydrophobicContact CD1-CB 4.49Å; I396-A403 HydrophobicContact CG1-CB 4.14Å; A403-F405 HydrophobicContact CB-CD2 4.44Å; A403-F405 HydrophobicContact CB-CE1 4.29Å; A403-F405 HydrophobicContact CB-CE2 3.61Å; A403-F405 HydrophobicContact CB-CZ 3.53Å; A403-I447 PolarHBondContact N-O 2.84Å; A403-I447 PolarHBondContact O-N 2.78Å; A403-A454 HydrophobicContact CB-CB 3.62Å
404	T	96.6	Very high	94.7	Very high	29 Å²	29	43.5 Å²	43.5	18%	0.178	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.3	169.8	-54.8	0	0	0	0	108.4	A394 H395 N444 F445	A394-T404 HydrophobicContact CB-CG2 4.28Å; A394-T404 PolarHBondContact N-O 2.64Å; H395-T404 PolarHBondContact N-O 3.3Å; H395-T404 PolarHBondContact O-N 2.66Å; T404-N444 HydrophobicContact CG2-CB 4.42Å; T404-F445 CarbonylContact C-O 3.49Å; T404-F445 WeakPolarHBondContact CA-O 3.4Å
405	F	96.4	Very high	94.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	139.9	178.6	-54.5	-86.5	0	0	0	110.2	F347 L391 E392 V393 A403 F407 N444 F445 I447 I455 L458	F347-F405 HydrophobicContact CE1-CD1 4.49Å; F347-F405 HydrophobicContact CE1-CE1 4.08Å; F347-F405 HydrophobicContact CZ-CD1 4.28Å; F347-F405 HydrophobicContact CZ-CE1 4.33Å; L391-F405 HydrophobicContact CD1-CB 3.95Å; L391-F405 HydrophobicContact CD1-CD1 4.45Å; E392-F405 CarbonylContact O-C 3.58Å; E392-F405 VanDerWaalsContact O-CA 3.26Å; E392-F405 WeakPolarHBondContact O-CA 3.2Å; V393-F405 HydrophobicContact CG2-CD1 3.95Å; V393-F405 HydrophobicContact CG2-CE1 3.89Å; A403-F405 HydrophobicContact CB-CD2 4.44Å; A403-F405 HydrophobicContact CB-CE1 4.29Å; A403-F405 HydrophobicContact CB-CE2 3.61Å; A403-F405 HydrophobicContact CB-CZ 3.53Å; F405-F407 HydrophobicContact CB-CD2 4.5Å; F405-F407 HydrophobicContact CB-CE2 4.1Å; F405-N444 CarbonylContact O-C 3.6Å; F405-N444 WeakPolarHBondContact O-CA 3.27Å; F405-F445 HydrophobicContact CB-CB 4.3Å; F405-F445 PolarHBondContact N-O 3.27Å; F405-F445 PolarHBondContact O-N 3.28Å; F405-I447 HydrophobicContact CD2-CD1 4.23Å; F405-I447 HydrophobicContact CE2-CB 4.49Å; F405-I447 HydrophobicContact CE2-CD1 3.8Å; F405-I447 HydrophobicContact CE2-CG1 4.24Å; F405-I455 HydrophobicContact CE1-CG1 4.16Å; F405-I455 HydrophobicContact CZ-CG1 4.06Å; F405-L458 HydrophobicContact CD1-CD2 3.59Å; F405-L458 HydrophobicContact CD2-CD2 3.96Å; F405-L458 HydrophobicContact CE1-CD2 3.63Å; F405-L458 HydrophobicContact CE2-CB 4.24Å; F405-L458 HydrophobicContact CE2-CD2 4.01Å; F405-L458 HydrophobicContact CG-CD2 3.75Å; F405-L458 HydrophobicContact CZ-CB 4.2Å; F405-L458 HydrophobicContact CZ-CD2 3.85Å
406	T	95.9	Very high	95.1	Very high	12 Å²	12	39.4 Å²	39.4	7%	0.074	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	116.8	172.3	-58.5	0	0	0	0	108.9	L391 E392 F408 M442 I443 N444	L391-T406 WeakPolarHBondContact CA-O 3.45Å; E392-T406 PolarHBondContact N-O 2.8Å; E392-T406 PolarHBondContact O-N 2.84Å; T406-F408 HydrophobicContact CG2-CD1 4.47Å; T406-F408 HydrophobicContact CG2-CD2 4.02Å; T406-F408 HydrophobicContact CG2-CE1 3.99Å; T406-F408 HydrophobicContact CG2-CE2 3.45Å; T406-F408 VanDerWaalsContact CG2-CE2 3.45Å; T406-F408 HydrophobicContact CG2-CG 4.49Å; T406-F408 HydrophobicContact CG2-CZ 3.44Å; T406-F408 VanDerWaalsContact CG2-CZ 3.44Å; T406-M442 HydrophobicContact CG2-CB 4.22Å; T406-M442 HydrophobicContact CG2-CG 4.49Å; T406-M442 HydrophobicContact CG2-SD 3.72Å; T406-I443 WeakPolarHBondContact CA-O 3.08Å; T406-N444 WeakPolarHBondContact CB-OD1 3.31Å; T406-N444 WeakPolarHBondContact CG2-OD1 3.42Å; T406-N444 PolarHBondContact OG1-OD1 2.94Å
407	F	96.7	Very high	95.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	112.5	171	-69.6	-102.2	0	0	0	109	Y338 G390 L391 F405 E410 L414 L418 M442 I443 F445 L458	Y338-F407 AromaticContact CD1-CD1 3.92Å; Y338-F407 HydrophobicContact CD1-CD1 3.92Å; Y338-F407 AromaticContact CD1-CE1 3.8Å; Y338-F407 HydrophobicContact CD1-CE1 3.8Å; Y338-F407 HydrophobicContact CD2-CD1 4.2Å; Y338-F407 AromaticContact CD2-CE1 3.97Å; Y338-F407 HydrophobicContact CD2-CE1 3.97Å; Y338-F407 AromaticContact CE1-CD1 3.74Å; Y338-F407 HydrophobicContact CE1-CD1 3.74Å; Y338-F407 HydrophobicContact CE1-CE1 4.12Å; Y338-F407 HydrophobicContact CE2-CD1 4.05Å; Y338-F407 HydrophobicContact CE2-CE1 4.29Å; Y338-F407 HydrophobicContact CG-CD1 4.15Å; Y338-F407 AromaticContact CG-CE1 3.73Å; Y338-F407 HydrophobicContact CG-CE1 3.73Å; Y338-F407 AromaticContact CZ-CD1 3.81Å; G390-F407 CarbonylContact O-C 3.53Å; G390-F407 WeakPolarHBondContact O-CA 3.4Å; L391-F407 HydrophobicContact CD1-CD1 3.92Å; L391-F407 HydrophobicContact CD1-CD2 3.85Å; L391-F407 HydrophobicContact CD1-CE1 3.71Å; L391-F407 HydrophobicContact CD1-CE2 3.63Å; L391-F407 HydrophobicContact CD1-CG 3.98Å; L391-F407 HydrophobicContact CD1-CZ 3.55Å; L391-F407 HydrophobicContact CD2-CE1 4.01Å; L391-F407 HydrophobicContact CD2-CZ 4.14Å; L391-F407 HydrophobicContact CG-CE1 4.32Å; L391-F407 HydrophobicContact CG-CZ 4.45Å; F405-F407 HydrophobicContact CB-CD2 4.5Å; F405-F407 HydrophobicContact CB-CE2 4.1Å; F407-E410 HydrophobicContact CB-CB 3.84Å; F407-E410 HydrophobicContact CB-CG 4.12Å; F407-E410 HydrophobicContact CD1-CG 4.42Å; F407-L414 HydrophobicContact CD1-CD2 3.82Å; F407-L414 HydrophobicContact CE1-CD2 3.95Å; F407-L418 HydrophobicContact CE2-CD2 4.49Å; F407-L418 HydrophobicContact CZ-CD2 4.07Å; F407-M442 CarbonylContact O-C 3.55Å; F407-M442 WeakPolarHBondContact O-CA 3.34Å; F407-M442 VanDerWaalsContact O-CB 3.27Å; F407-M442 WeakPolarHBondContact O-CB 3.37Å; F407-I443 HydrophobicContact CB-CD1 4.31Å; F407-I443 HydrophobicContact CB-CG1 3.7Å; F407-I443 HydrophobicContact CD2-CD1 4.46Å; F407-I443 HydrophobicContact CD2-CG1 4.29Å; F407-I443 HydrophobicContact CG-CG1 4.31Å; F407-I443 PolarHBondContact N-O 3.03Å; F407-I443 PolarHBondContact O-N 3.12Å; F407-F445 HydrophobicContact CD2-CB 4.23Å; F407-F445 HydrophobicContact CE2-CB 4.09Å; F407-F445 HydrophobicContact CE2-CG 4.36Å; F407-L458 HydrophobicContact CE2-CD1 4.43Å; F407-L458 HydrophobicContact CZ-CD1 4.04Å; F407-L458 HydrophobicContact CZ-CD2 4.35Å
408	F	95.7	Very high	95.4	Very high	32 Å²	32	36.6 Å²	36.6	14%	0.14	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	140.3	171.7	-59.3	-92.7	0	0	0	109.5	R381 V389 G390 E392 T406 E410 M442	R381-F408 VanDerWaalsContact CZ-CE2 3.45Å; R381-F408 VanDerWaalsContact CZ-CG 3.44Å; R381-F408 VanDerWaalsContact NH2-CD2 3.28Å; V389-F408 VanDerWaalsContact CA-O 3.27Å; V389-F408 WeakPolarHBondContact CA-O 3.25Å; G390-F408 PolarHBondContact N-O 3.46Å; G390-F408 PolarHBondContact O-N 3.26Å; E392-F408 HydrophobicContact CB-CE2 4.22Å; E392-F408 HydrophobicContact CG-CE2 4.06Å; E392-F408 WeakPolarHBondContact OE2-CE2 3.44Å; E392-F408 WeakPolarHBondContact OE2-CZ 3.38Å; T406-F408 HydrophobicContact CG2-CD1 4.47Å; T406-F408 HydrophobicContact CG2-CD2 4.02Å; T406-F408 HydrophobicContact CG2-CE1 3.99Å; T406-F408 HydrophobicContact CG2-CE2 3.45Å; T406-F408 VanDerWaalsContact CG2-CE2 3.45Å; T406-F408 HydrophobicContact CG2-CG 4.49Å; T406-F408 HydrophobicContact CG2-CZ 3.44Å; T406-F408 VanDerWaalsContact CG2-CZ 3.44Å; F408-E410 VanDerWaalsContact C-N 3.31Å; F408-M442 HydrophobicContact CD1-CB 4.14Å; F408-M442 HydrophobicContact CD1-SD 4.11Å; F408-M442 HydrophobicContact CE1-SD 3.66Å; F408-M442 HydrophobicContact CZ-SD 4.32Å
409	G	94.3	Very high	95.8	Very high	6 Å²	6	31.2 Å²	31.2	6%	0.062	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	0.2	-177.3	0	0	0	0	0	115	D441	G409-D441 WeakPolarHBondContact CA-OD2 3.32Å; G409-D441 PolarHBondContact N-O 3.08Å
410	E	95.6	Very high	95.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	13%	0.126	C	C	.	.			trans	-118.4	159.3	-172.5	-65.7	-65.4	164.4	0	0	112.2	K334 Y338 F407 F408 L414 M442 I443	K334-E410 WeakPolarHBondContact CD-OE1 3.03Å; K334-E410 WeakPolarHBondContact CE-OE1 3.28Å; K334-E410 IonicContact NZ-OE1 3.11Å; K334-E410 PolarHBondContact NZ-OE1 2.93Å; K334-E410 IonicContact NZ-OE2 3.46Å; K334-E410 PolarHBondContact NZ-OE2 2.74Å; Y338-E410 HydrophobicContact CE2-CG 3.91Å; Y338-E410 WeakPolarHBondContact CE2-OE1 3.35Å; Y338-E410 WeakPolarHBondContact OH-CG 3.47Å; Y338-E410 PolarHBondContact OH-OE1 2.79Å; F407-E410 HydrophobicContact CB-CB 3.84Å; F407-E410 HydrophobicContact CB-CG 4.12Å; F407-E410 HydrophobicContact CD1-CG 4.42Å; F408-E410 VanDerWaalsContact C-N 3.31Å; E410-L414 HydrophobicContact CB-CD2 4.2Å; E410-L414 HydrophobicContact CG-CD2 3.73Å; E410-L414 WeakPolarHBondContact OE2-CB 3.25Å; E410-M442 CarbonylContact O-C 3.51Å; E410-I443 HydrophobicContact CB-CD1 4.3Å; E410-I443 HydrophobicContact CB-CG1 4.29Å
411	D	94.8	Very high	96	Very high	21 Å²	21	23.3 Å²	23.3	11%	0.112	11%	0.109	C	C	.	.			trans	-142.1	-161.8	-179	68.8	-3.2	0	0	0	111.6	R67 R221 T413 L414 G415	R67-D411 IonicContact CZ-OD2 3.65Å; R67-D411 IonicContact NE-OD2 3.77Å; R67-D411 IonicContact NH2-OD1 3.87Å; R67-D411 IonicContact NH2-OD2 3.43Å; R67-D411 PolarHBondContact NH2-OD2 2.84Å; R221-D411 IonicContact CZ-OD2 3.83Å; R221-D411 IonicContact NH1-OD1 3.23Å; R221-D411 PolarHBondContact NH1-OD1 2.92Å; R221-D411 IonicContact NH1-OD2 3.17Å; R221-D411 PolarHBondContact NH1-OD2 3.32Å; D411-T413 PolarHBondContact O-N 2.83Å; D411-T413 WeakPolarHBondContact OD1-CB 3.37Å; D411-T413 PolarHBondContact OD1-N 2.5Å; D411-T413 PolarHBondContact OD1-OG1 2.93Å; D411-T413 PolarHBondContact OD2-OG1 2.89Å; D411-L414 PolarHBondContact O-N 3.18Å; D411-G415 PolarHBondContact O-N 3.46Å
412	H	95	Very high	96	Very high	75 Å²	75	22.2 Å²	22.2	35%	0.347	10%	0.101	S	C	.	.	H	α-helix	trans	-50	-23.3	173.9	-58.7	-74.8	0	0	0	114.9	L416 Y433 V435	H412-L416 VanDerWaalsContact O-CB 3.26Å; H412-L416 WeakPolarHBondContact O-CB 3.44Å; H412-L416 PolarHBondContact O-N 3.25Å; H412-Y433 HydrophobicContact CB-CE2 4.35Å; H412-Y433 AromaticContact ND1-CE2 3.33Å; H412-Y433 VanDerWaalsContact ND1-CE2 3.33Å; H412-Y433 WeakPolarHBondContact ND1-CE2 3.16Å; H412-Y433 AromaticContact ND1-CZ 3.55Å; H412-Y433 PolarHBondContact ND1-OH 2.67Å; H412-V435 WeakPolarHBondContact NE2-CG2 3.24Å
413	T	95.3	Very high	95.8	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.012	10%	0.099	C	C	.	.	H	α-helix	trans	-61	-53.6	179.9	-50.8	0	0	0	0	111.4	R67 I68 M331 D411	R67-T413 HydrophobicContact CB-CG2 3.89Å; R67-T413 WeakPolarHBondContact CB-OG1 3.48Å; R67-T413 PolarHBondContact NE-OG1 3.15Å; I68-T413 HydrophobicContact CD1-CG2 4.07Å; I68-T413 HydrophobicContact CG1-CG2 3.48Å; I68-T413 VanDerWaalsContact CG1-CG2 3.48Å; M331-T413 HydrophobicContact CE-CG2 4.43Å; D411-T413 PolarHBondContact O-N 2.83Å; D411-T413 WeakPolarHBondContact OD1-CB 3.37Å; D411-T413 PolarHBondContact OD1-N 2.5Å; D411-T413 PolarHBondContact OD1-OG1 2.93Å; D411-T413 PolarHBondContact OD2-OG1 2.89Å
414	L	97.3	Very high	95.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-75.8	-45.8	172.7	177.9	64.5	0	0	0	110.2	M331 Y338 F407 E410 D411 L416 A417 L418 L465	M331-L414 HydrophobicContact SD-CD1 4.02Å; Y338-L414 HydrophobicContact CD2-CD2 3.96Å; Y338-L414 HydrophobicContact CE2-CD2 3.72Å; F407-L414 HydrophobicContact CD1-CD2 3.82Å; F407-L414 HydrophobicContact CE1-CD2 3.95Å; E410-L414 HydrophobicContact CB-CD2 4.2Å; E410-L414 HydrophobicContact CG-CD2 3.73Å; E410-L414 WeakPolarHBondContact OE2-CB 3.25Å; D411-L414 PolarHBondContact O-N 3.18Å; L414-L416 PolarHBondContact O-N 3.46Å; L414-A417 PolarHBondContact O-N 3.03Å; L414-L418 HydrophobicContact CD1-CB 4.4Å; L414-L418 HydrophobicContact CG-CD2 4.47Å; L414-L418 WeakPolarHBondContact O-CB 2.97Å; L414-L418 PolarHBondContact O-N 3.42Å; L414-L465 HydrophobicContact CD1-CD2 3.91Å
415	G	96.7	Very high	95.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-56.9	-48.3	-170.7	0	0	0	0	0	113.7	D411 R419 Y433 F445	D411-G415 PolarHBondContact O-N 3.46Å; G415-R419 WeakPolarHBondContact O-CB 3.35Å; G415-R419 PolarHBondContact O-N 2.85Å; G415-Y433 WeakPolarHBondContact O-CD1 3.37Å; G415-F445 WeakPolarHBondContact O-CE2 3.41Å
416	L	96.2	Very high	94.8	Very high	54 Å²	54	32.3 Å²	32.3	28%	0.283	15%	0.15	S	C	.	.	H	α-helix	trans	-67.2	-44.9	-177.1	-174	61.1	0	0	0	112.5	H412 L414 Y420 Y433	H412-L416 VanDerWaalsContact O-CB 3.26Å; H412-L416 WeakPolarHBondContact O-CB 3.44Å; H412-L416 PolarHBondContact O-N 3.25Å; L414-L416 PolarHBondContact O-N 3.46Å; L416-Y420 PolarHBondContact O-N 3.04Å; L416-Y420 VanDerWaalsContact O-N 3.11Å; L416-Y433 HydrophobicContact CB-CE1 4.21Å; L416-Y433 HydrophobicContact CD1-CE1 4.42Å
417	A	96.8	Very high	94.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-70.7	-39.4	-178.5	0	0	0	0	0	111.8	F61 A64 M331 L414 Y420 C421 L465	F61-A417 HydrophobicContact CD1-CB 4.21Å; A64-A417 HydrophobicContact CB-CB 4.15Å; M331-A417 HydrophobicContact CE-CB 4.43Å; L414-A417 PolarHBondContact O-N 3.03Å; A417-Y420 WeakPolarHBondContact O-CB 3.38Å; A417-Y420 PolarHBondContact O-N 3.3Å; A417-C421 PolarHBondContact O-N 3.06Å; A417-C421 VanDerWaalsContact O-N 3.14Å; A417-L465 HydrophobicContact CB-CD1 3.76Å; A417-L465 HydrophobicContact CB-CD2 4.31Å
418	L	98	Very high	94.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.2	-42.8	175.9	-178.9	56.9	0	0	0	111.5	F407 L414 Y420 C421 I422 F445 L458 L462 L465	F407-L418 HydrophobicContact CE2-CD2 4.49Å; F407-L418 HydrophobicContact CZ-CD2 4.07Å; L414-L418 HydrophobicContact CD1-CB 4.4Å; L414-L418 HydrophobicContact CG-CD2 4.47Å; L414-L418 WeakPolarHBondContact O-CB 2.97Å; L414-L418 PolarHBondContact O-N 3.42Å; L418-Y420 VanDerWaalsContact C-N 3.27Å; L418-Y420 PolarHBondContact O-N 3.24Å; L418-C421 PolarHBondContact O-N 3.38Å; L418-C421 VanDerWaalsContact O-N 3.12Å; L418-I422 HydrophobicContact CD1-CD1 3.83Å; L418-I422 HydrophobicContact CD1-CG1 4.19Å; L418-I422 HydrophobicContact CD2-CD1 4.47Å; L418-I422 HydrophobicContact CG-CD1 3.76Å; L418-I422 WeakPolarHBondContact O-CG1 3.39Å; L418-I422 PolarHBondContact O-N 2.92Å; L418-F445 HydrophobicContact CB-CE2 4.31Å; L418-F445 HydrophobicContact CB-CZ 4.19Å; L418-F445 HydrophobicContact CD2-CE2 4.22Å; L418-F445 HydrophobicContact CD2-CZ 4.15Å; L418-F445 HydrophobicContact CG-CE1 4.48Å; L418-F445 HydrophobicContact CG-CE2 4.29Å; L418-F445 HydrophobicContact CG-CZ 3.9Å; L418-L458 HydrophobicContact CD2-CD1 3.92Å; L418-L462 HydrophobicContact CD1-CD2 3.91Å; L418-L462 HydrophobicContact CD1-CG 4.03Å; L418-L462 HydrophobicContact CD2-CD2 3.92Å; L418-L462 HydrophobicContact CD2-CG 4.47Å; L418-L465 HydrophobicContact CB-CD2 4.11Å; L418-L465 HydrophobicContact CD1-CD2 4.47Å
419	R	97.1	Very high	94.6	Very high	93 Å²	93	35.4 Å²	35.4	35%	0.351	18%	0.176	S	C	.	.	H	α-helix	trans	-57.9	-43.7	175.4	176.3	179.5	175.8	-87.6	-0.1	111.1	G415 C421 I422 L423 C431 Y433 F445	G415-R419 WeakPolarHBondContact O-CB 3.35Å; G415-R419 PolarHBondContact O-N 2.85Å; R419-C421 PolarHBondContact O-N 2.99Å; R419-I422 PolarHBondContact O-N 3.19Å; R419-L423 HydrophobicContact CG-CD1 3.85Å; R419-L423 HydrophobicContact CG-CG 4.4Å; R419-L423 VanDerWaalsContact CZ-CD1 3.45Å; R419-L423 WeakPolarHBondContact O-CB 3.41Å; R419-L423 WeakPolarHBondContact O-CG 3.32Å; R419-L423 PolarHBondContact O-N 2.83Å; R419-C431 PolarHBondContact NE-O 3.28Å; R419-Y433 HydrophobicContact CB-CD1 4.2Å; R419-F445 HydrophobicContact CB-CE2 4.29Å; R419-F445 HydrophobicContact CB-CZ 3.85Å
420	Y	94	Very high	94.7	Very high	27 Å²	27	39.9 Å²	39.9	11%	0.106	19%	0.194	C	C	.	.	H	α-helix	trans	-57.3	-49.1	175.5	175.2	-90.9	0	0	0	111.2	W27 D58 F61 L416 A417 L418 I422 L423 R424	W27-Y420 HydrophobicContact CZ2-CE1 4.38Å; W27-Y420 PolarHBondContact NE1-OH 3.41Å; D58-Y420 HydrophobicContact CB-CD2 3.96Å; D58-Y420 HydrophobicContact CB-CE1 4.02Å; D58-Y420 HydrophobicContact CB-CE2 3.37Å; D58-Y420 HydrophobicContact CB-CG 4.48Å; D58-Y420 VanDerWaalsContact CG-CD2 3.46Å; D58-Y420 VanDerWaalsContact OD1-CE2 3.32Å; D58-Y420 WeakPolarHBondContact OD1-CE2 3.25Å; D58-Y420 WeakPolarHBondContact OD2-CD2 3.47Å; F61-Y420 AromaticContact CE1-CD1 3.78Å; F61-Y420 HydrophobicContact CE1-CD1 3.78Å; F61-Y420 HydrophobicContact CE1-CE1 4.25Å; F61-Y420 HydrophobicContact CE2-CD1 4.2Å; F61-Y420 AromaticContact CE2-CE1 3.83Å; F61-Y420 HydrophobicContact CE2-CE1 3.83Å; F61-Y420 AromaticContact CZ-CD1 3.45Å; F61-Y420 HydrophobicContact CZ-CD1 3.45Å; F61-Y420 VanDerWaalsContact CZ-CD1 3.45Å; F61-Y420 AromaticContact CZ-CE1 3.48Å; F61-Y420 HydrophobicContact CZ-CE1 3.48Å; F61-Y420 VanDerWaalsContact CZ-CE1 3.48Å; L416-Y420 PolarHBondContact O-N 3.04Å; L416-Y420 VanDerWaalsContact O-N 3.11Å; A417-Y420 WeakPolarHBondContact O-CB 3.38Å; A417-Y420 PolarHBondContact O-N 3.3Å; L418-Y420 VanDerWaalsContact C-N 3.27Å; L418-Y420 PolarHBondContact O-N 3.24Å; Y420-I422 PolarHBondContact O-N 3Å; Y420-L423 PolarHBondContact O-N 3.32Å; Y420-R424 HydrophobicContact CE1-CG 4.44Å; Y420-R424 VanDerWaalsContact CZ-NE 3.32Å; Y420-R424 VanDerWaalsContact CZ-NH2 3.28Å; Y420-R424 WeakPolarHBondContact O-CG 3.47Å; Y420-R424 PolarHBondContact OH-NE 3.12Å; Y420-R424 PolarHBondContact OH-NH2 2.92Å
421	C	95	Very high	94.7	Very high	6 Å²	6	39.9 Å²	39.9	4%	0.041	19%	0.194	C	C	.	.	H	α-helix	trans	-62.2	-40.5	179.7	-74.5	0	0	0	0	113.5	A417 L418 R419 R424 C464 L465	A417-C421 PolarHBondContact O-N 3.06Å; A417-C421 VanDerWaalsContact O-N 3.14Å; L418-C421 PolarHBondContact O-N 3.38Å; L418-C421 VanDerWaalsContact O-N 3.12Å; R419-C421 PolarHBondContact O-N 2.99Å; C421-R424 PolarHBondContact O-N 3.38Å; C421-C464 HydrophobicContact CB-CB 4.16Å; C421-L465 HydrophobicContact CB-CB 4.39Å
422	I	95.4	Very high	94.8	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.015	20%	0.195	C	C	.	.	H	α-helix	trans	-69.8	-42.5	-178.9	-68.3	166.7	0	0	0	111.3	L418 R419 Y420 R424 D425 V428 C431 F445 I447 L458	L418-I422 HydrophobicContact CD1-CD1 3.83Å; L418-I422 HydrophobicContact CD1-CG1 4.19Å; L418-I422 HydrophobicContact CD2-CD1 4.47Å; L418-I422 HydrophobicContact CG-CD1 3.76Å; L418-I422 WeakPolarHBondContact O-CG1 3.39Å; L418-I422 PolarHBondContact O-N 2.92Å; R419-I422 PolarHBondContact O-N 3.19Å; Y420-I422 PolarHBondContact O-N 3Å; I422-R424 PolarHBondContact O-N 3.05Å; I422-D425 PolarHBondContact O-N 2.81Å; I422-V428 HydrophobicContact CG2-CG1 4.18Å; I422-V428 HydrophobicContact CG2-CG2 3.85Å; I422-C431 HydrophobicContact CG2-CB 3.9Å; I422-F445 HydrophobicContact CD1-CE1 3.54Å; I422-F445 HydrophobicContact CD1-CZ 4.02Å; I422-I447 HydrophobicContact CD1-CD1 3.76Å; I422-I447 HydrophobicContact CG2-CD1 4.38Å; I422-I447 HydrophobicContact CG2-CG2 4.4Å; I422-L458 HydrophobicContact CD1-CD1 4.13Å
423	L	93.5	Very high	94.8	Very high	68 Å²	68	38.3 Å²	38.3	36%	0.356	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-8.6	178.9	-73.7	174.4	0	0	0	114.4	R419 Y420 D425 V428 C431	R419-L423 HydrophobicContact CG-CD1 3.85Å; R419-L423 HydrophobicContact CG-CG 4.4Å; R419-L423 VanDerWaalsContact CZ-CD1 3.45Å; R419-L423 WeakPolarHBondContact O-CB 3.41Å; R419-L423 WeakPolarHBondContact O-CG 3.32Å; R419-L423 PolarHBondContact O-N 2.83Å; Y420-L423 PolarHBondContact O-N 3.32Å; L423-D425 VanDerWaalsContact C-N 3.29Å; L423-V428 HydrophobicContact CD2-CG1 4.29Å; L423-C431 HydrophobicContact CD2-CB 3.63Å; L423-C431 HydrophobicContact CG-CB 3.85Å
424	R	88.6	Confident	94.9	Very high	106 Å²	106	41.4 Å²	41.4	40%	0.4	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-14.7	173	-64.5	-55	-170.4	177.6	-0.5	113.2	W27 Y420 C421 I422	W27-R424 HydrophobicContact CD2-CB 4.41Å; W27-R424 HydrophobicContact CD2-CG 3.81Å; W27-R424 HydrophobicContact CE3-CB 3.56Å; W27-R424 HydrophobicContact CE3-CG 3.43Å; W27-R424 VanDerWaalsContact CE3-CG 3.43Å; W27-R424 HydrophobicContact CG-CG 4.34Å; W27-R424 HydrophobicContact CZ3-CB 3.83Å; W27-R424 HydrophobicContact CZ3-CG 3.87Å; Y420-R424 HydrophobicContact CE1-CG 4.44Å; Y420-R424 VanDerWaalsContact CZ-NE 3.32Å; Y420-R424 VanDerWaalsContact CZ-NH2 3.28Å; Y420-R424 WeakPolarHBondContact O-CG 3.47Å; Y420-R424 PolarHBondContact OH-NE 3.12Å; Y420-R424 PolarHBondContact OH-NH2 2.92Å; C421-R424 PolarHBondContact O-N 3.38Å; I422-R424 PolarHBondContact O-N 3.05Å
425	D	89.5	Confident	94.8	Very high	58 Å²	58	43.3 Å²	43.3	31%	0.31	22%	0.22	S	C	.	.	S	Bend	trans	-82.1	117.6	171.8	-170.9	-19.9	0	0	0	110.1	I422 L423 S427 V428	I422-D425 PolarHBondContact O-N 2.81Å; L423-D425 VanDerWaalsContact C-N 3.29Å; D425-S427 PolarHBondContact O-N 3.14Å; D425-S427 VanDerWaalsContact OD1-CB 3.27Å; D425-S427 WeakPolarHBondContact OD1-CB 3.47Å; D425-S427 PolarHBondContact OD1-N 3.31Å; D425-S427 PolarHBondContact OD1-OG 3.07Å; D425-S427 PolarHBondContact OD2-OG 3.27Å; D425-S427 VanDerWaalsContact OD2-OG 3.11Å; D425-V428 HydrophobicContact CB-CG2 3.95Å; D425-V428 WeakPolarHBondContact O-CB 3.4Å; D425-V428 PolarHBondContact O-N 2.78Å
426	E	89.7	Confident	94.5	Very high	114 Å²	114	46 Å²	46	53%	0.533	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.8	-179.4	-70.5	175.8	169	0	0	113.2	R26 V428 K450	R26-E426 IonicContact CZ-OE1 2.73Å; R26-E426 IonicContact CZ-OE2 2.7Å; R26-E426 VanDerWaalsContact CZ-OE2 3.23Å; R26-E426 IonicContact NE-OE1 3.12Å; R26-E426 PolarHBondContact NE-OE1 3.26Å; R26-E426 IonicContact NH1-OE1 2.84Å; R26-E426 PolarHBondContact NH1-OE1 3.09Å; R26-E426 IonicContact NH1-OE2 3.06Å; R26-E426 PolarHBondContact NH1-OE2 3.49Å; R26-E426 VanDerWaalsContact NH1-OE2 3.12Å; R26-E426 IonicContact NH2-OE1 3.95Å; R26-E426 PolarHBondContact NH2-OE1 3.14Å; R26-E426 IonicContact NH2-OE2 3.04Å; R26-E426 PolarHBondContact NH2-OE2 3.24Å; E426-V428 PolarHBondContact O-N 3.34Å; E426-K450 PolarHBondContact O-NZ 3.25Å
427	S	93.6	Very high	94.3	Very high	34 Å²	34	47.6 Å²	47.6	24%	0.238	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-16.3	174	72.8	0	0	0	0	112.4	D425 M449 K450	D425-S427 PolarHBondContact O-N 3.14Å; D425-S427 VanDerWaalsContact OD1-CB 3.27Å; D425-S427 WeakPolarHBondContact OD1-CB 3.47Å; D425-S427 PolarHBondContact OD1-N 3.31Å; D425-S427 PolarHBondContact OD1-OG 3.07Å; D425-S427 PolarHBondContact OD2-OG 3.27Å; D425-S427 VanDerWaalsContact OD2-OG 3.11Å; S427-M449 WeakPolarHBondContact OG-CE 3.5Å; S427-K450 WeakPolarHBondContact O-CB 3.37Å; S427-K450 PolarHBondContact O-N 3.34Å
428	V	94.9	Very high	94	Very high	9 Å²	9	53.2 Å²	53.2	6%	0.055	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	129.9	173.4	179.9	0	0	0	0	109.4	I422 L423 D425 E426 F430 C431 M449 A457	I422-V428 HydrophobicContact CG2-CG1 4.18Å; I422-V428 HydrophobicContact CG2-CG2 3.85Å; L423-V428 HydrophobicContact CD2-CG1 4.29Å; D425-V428 HydrophobicContact CB-CG2 3.95Å; D425-V428 WeakPolarHBondContact O-CB 3.4Å; D425-V428 PolarHBondContact O-N 2.78Å; E426-V428 PolarHBondContact O-N 3.34Å; V428-F430 WeakPolarHBondContact CG1-O 3.49Å; V428-C431 HydrophobicContact CG1-CB 4.07Å; V428-M449 HydrophobicContact CB-SD 4.42Å; V428-M449 HydrophobicContact CG2-CE 3.99Å; V428-M449 HydrophobicContact CG2-SD 3.7Å; V428-A457 HydrophobicContact CG2-CB 4.21Å
429	S	94.9	Very high	93.6	Very high	67 Å²	67	60.7 Å²	60.7	47%	0.469	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-44.9	173.4	-167	0	0	0	0	111.2	Q448	S429-Q448 WeakPolarHBondContact CA-O 3.35Å; S429-Q448 WeakPolarHBondContact CB-O 3.45Å; S429-Q448 PolarHBondContact N-O 3.27Å
430	F	96	Very high	93.3	Very high	99 Å²	99	60.2 Å²	60.2	43%	0.434	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	142.3	-177.5	171.7	-92.7	0	0	0	110	V428 D446 Q448	V428-F430 WeakPolarHBondContact CG1-O 3.49Å; F430-D446 HydrophobicContact CE1-CB 4.22Å; F430-Q448 HydrophobicContact CB-CB 4.08Å; F430-Q448 PolarHBondContact N-O 2.83Å; F430-Q448 PolarHBondContact O-N 3.06Å
431	C	96.3	Very high	93.2	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.007	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	125.8	169.1	173	0	0	0	0	109	R419 I422 L423 V428 F445 D446	R419-C431 PolarHBondContact NE-O 3.28Å; I422-C431 HydrophobicContact CG2-CB 3.9Å; L423-C431 HydrophobicContact CD2-CB 3.63Å; L423-C431 HydrophobicContact CG-CB 3.85Å; V428-C431 HydrophobicContact CG1-CB 4.07Å; C431-F445 WeakPolarHBondContact SG-CE1 3.41Å; C431-D446 VanDerWaalsContact CA-O 3.3Å; C431-D446 WeakPolarHBondContact CA-O 3.48Å
432	G	96.4	Very high	93.2	Very high	13 Å²	13	62.7 Å²	62.7	13%	0.134	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	158.8	-177.6	0	0	0	0	0	110.8	F445 D446	G432-F445 CarbonylContact O-C 3.5Å; G432-D446 PolarHBondContact N-O 3.23Å; G432-D446 PolarHBondContact O-N 2.92Å
433	Y	96.6	Very high	93.3	Very high	50 Å²	50	62.6 Å²	62.6	20%	0.196	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	154.2	170.8	79.8	-82.1	0	0	0	110.1	H412 G415 L416 R419 I443 N444 F445	H412-Y433 HydrophobicContact CB-CE2 4.35Å; H412-Y433 AromaticContact ND1-CE2 3.33Å; H412-Y433 VanDerWaalsContact ND1-CE2 3.33Å; H412-Y433 WeakPolarHBondContact ND1-CE2 3.16Å; H412-Y433 AromaticContact ND1-CZ 3.55Å; H412-Y433 PolarHBondContact ND1-OH 2.67Å; G415-Y433 WeakPolarHBondContact O-CD1 3.37Å; L416-Y433 HydrophobicContact CB-CE1 4.21Å; L416-Y433 HydrophobicContact CD1-CE1 4.42Å; R419-Y433 HydrophobicContact CB-CD1 4.2Å; Y433-I443 HydrophobicContact CD2-CB 4.34Å; Y433-I443 HydrophobicContact CD2-CD1 4.38Å; Y433-I443 HydrophobicContact CD2-CG2 4.18Å; Y433-N444 CarbonylContact C-O 3.03Å; Y433-N444 WeakPolarHBondContact CA-O 3.27Å; Y433-N444 WeakPolarHBondContact CB-O 3.21Å; Y433-F445 HydrophobicContact CD1-CE2 4.2Å; Y433-F445 HydrophobicContact CG-CD2 4.13Å; Y433-F445 HydrophobicContact CG-CE2 4.11Å
434	C	95.8	Very high	93.4	Very high	67 Å²	67	61.4 Å²	61.4	45%	0.453	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	151.9	172	61.8	0	0	0	0	110.1	P436 I443 N444	C434-P436 WeakPolarHBondContact O-CD 3.47Å; C434-I443 CarbonylContact O-C 3.52Å; C434-I443 VanDerWaalsContact O-CA 3.32Å; C434-I443 WeakPolarHBondContact O-CA 3.16Å; C434-N444 PolarHBondContact N-O 3.01Å; C434-N444 PolarHBondContact O-N 3.28Å
435	V	94.8	Very high	93.8	Very high	41 Å²	41	56.3 Å²	56.3	25%	0.248	31%	0.309	C	S	.	.			trans	-86.3	112.8	159.4	175.2	0	0	0	0	105.1	H412 H437 I443	H412-V435 WeakPolarHBondContact NE2-CG2 3.24Å; V435-H437 VanDerWaalsContact C-N 3.27Å; V435-H437 VanDerWaalsContact CG1-O 3.28Å; V435-H437 WeakPolarHBondContact CG1-O 3.47Å; V435-H437 PolarHBondContact O-N 2.87Å; V435-I443 HydrophobicContact CG2-CG2 3.64Å
436	P	92	Very high	94.2	Very high	57 Å²	57	54.9 Å²	54.9	37%	0.37	30%	0.301	S	S	.	.	S	Bend	trans	-59.7	-40.1	-176.5	-24.2	35.1	0	0	0	112.4	C434 M442 N444	C434-P436 WeakPolarHBondContact O-CD 3.47Å; P436-M442 WeakPolarHBondContact CD-O 3.46Å; P436-N444 HydrophobicContact CG-CB 4.44Å; P436-N444 VanDerWaalsContact CG-ND2 3.34Å; P436-N444 WeakPolarHBondContact CG-ND2 3.15Å
437	H	91.9	Very high	94.6	Very high	87 Å²	87	49.4 Å²	49.4	40%	0.403	28%	0.276	S	S	.	.			trans	-146.7	136.3	176.7	-171.5	-93.2	0	0	0	111.2	V435 L439 E440	V435-H437 VanDerWaalsContact C-N 3.27Å; V435-H437 VanDerWaalsContact CG1-O 3.28Å; V435-H437 WeakPolarHBondContact CG1-O 3.47Å; V435-H437 PolarHBondContact O-N 2.87Å; H437-L439 PolarHBondContact ND1-N 3.17Å; H437-L439 VanDerWaalsContact ND1-N 3.19Å; H437-L439 PolarHBondContact O-N 3.31Å; H437-L439 VanDerWaalsContact O-N 3.12Å; H437-E440 HydrophobicContact CB-CB 4.22Å; H437-E440 HydrophobicContact CB-CG 3.9Å; H437-E440 PolarHBondContact O-N 2.89Å
438	P	89.9	Confident	94.8	Very high	117 Å²	117	51.5 Å²	51.5	76%	0.76	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.8	-175.7	-25.7	34.9	0	0	0	116.1
439	L	90.1	Very high	94.9	Very high	157 Å²	157	51.6 Å²	51.6	82%	0.822	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-7.4	176.1	-58.1	179.5	0	0	0	113.3	H437	H437-L439 PolarHBondContact ND1-N 3.17Å; H437-L439 VanDerWaalsContact ND1-N 3.19Å; H437-L439 PolarHBondContact O-N 3.31Å; H437-L439 VanDerWaalsContact O-N 3.12Å
440	E	89.7	Confident	94.9	Very high	84 Å²	84	54.8 Å²	54.8	39%	0.393	29%	0.288	S	S	.	.	S	Bend	trans	-95.9	127.5	178.3	-68.5	177.6	171.6	0	0	109.8	H437 M442	H437-E440 HydrophobicContact CB-CB 4.22Å; H437-E440 HydrophobicContact CB-CG 3.9Å; H437-E440 PolarHBondContact O-N 2.89Å; E440-M442 HydrophobicContact CB-CE 4.07Å; E440-M442 HydrophobicContact CB-CG 4.25Å; E440-M442 HydrophobicContact CG-CE 4.3Å; E440-M442 PolarHBondContact O-N 2.85Å; E440-M442 WeakPolarHBondContact OE2-CE 3.43Å
441	D	92.2	Very high	94.7	Very high	59 Å²	59	58.1 Å²	58.1	32%	0.316	30%	0.302	S	S	.	.	S	Bend	trans	-83.5	60.8	-177.3	-166.3	40.6	0	0	0	111.2	R221 R387 G409	R221-D441 IonicContact CZ-OD1 3.12Å; R221-D441 IonicContact NE-OD1 2.68Å; R221-D441 PolarHBondContact NE-OD1 3.08Å; R221-D441 IonicContact NH2-OD1 2.77Å; R221-D441 PolarHBondContact NH2-OD1 3.01Å; R387-D441 IonicContact CZ-OD2 2.8Å; R387-D441 IonicContact NE-OD2 4Å; R387-D441 IonicContact NH2-OD1 3.72Å; R387-D441 PolarHBondContact NH2-OD1 2.89Å; R387-D441 IonicContact NH2-OD2 2.93Å; R387-D441 PolarHBondContact NH2-OD2 3.45Å; G409-D441 WeakPolarHBondContact CA-OD2 3.32Å; G409-D441 PolarHBondContact N-O 3.08Å
442	M	95.4	Very high	94.6	Very high	25 Å²	25	60.8 Å²	60.8	12%	0.123	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	160	178.2	61.3	177.7	165.4	0	0	113.7	T406 F407 F408 E410 P436 E440	T406-M442 HydrophobicContact CG2-CB 4.22Å; T406-M442 HydrophobicContact CG2-CG 4.49Å; T406-M442 HydrophobicContact CG2-SD 3.72Å; F407-M442 CarbonylContact O-C 3.55Å; F407-M442 WeakPolarHBondContact O-CA 3.34Å; F407-M442 VanDerWaalsContact O-CB 3.27Å; F407-M442 WeakPolarHBondContact O-CB 3.37Å; F408-M442 HydrophobicContact CD1-CB 4.14Å; F408-M442 HydrophobicContact CD1-SD 4.11Å; F408-M442 HydrophobicContact CE1-SD 3.66Å; F408-M442 HydrophobicContact CZ-SD 4.32Å; E410-M442 CarbonylContact O-C 3.51Å; P436-M442 WeakPolarHBondContact CD-O 3.46Å; E440-M442 HydrophobicContact CB-CE 4.07Å; E440-M442 HydrophobicContact CB-CG 4.25Å; E440-M442 HydrophobicContact CG-CE 4.3Å; E440-M442 PolarHBondContact O-N 2.85Å; E440-M442 WeakPolarHBondContact OE2-CE 3.43Å
443	I	96.9	Very high	94.5	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.5	167.7	57.1	174.7	0	0	0	110.9	T406 F407 E410 Y433 C434 V435 F445	T406-I443 WeakPolarHBondContact CA-O 3.08Å; F407-I443 HydrophobicContact CB-CD1 4.31Å; F407-I443 HydrophobicContact CB-CG1 3.7Å; F407-I443 HydrophobicContact CD2-CD1 4.46Å; F407-I443 HydrophobicContact CD2-CG1 4.29Å; F407-I443 HydrophobicContact CG-CG1 4.31Å; F407-I443 PolarHBondContact N-O 3.03Å; F407-I443 PolarHBondContact O-N 3.12Å; E410-I443 HydrophobicContact CB-CD1 4.3Å; E410-I443 HydrophobicContact CB-CG1 4.29Å; Y433-I443 HydrophobicContact CD2-CB 4.34Å; Y433-I443 HydrophobicContact CD2-CD1 4.38Å; Y433-I443 HydrophobicContact CD2-CG2 4.18Å; C434-I443 CarbonylContact O-C 3.52Å; C434-I443 VanDerWaalsContact O-CA 3.32Å; C434-I443 WeakPolarHBondContact O-CA 3.16Å; V435-I443 HydrophobicContact CG2-CG2 3.64Å; I443-F445 HydrophobicContact CD1-CD2 4.34Å
444	N	97.1	Very high	94.5	Very high	43 Å²	43	58.8 Å²	58.8	23%	0.23	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134	166.9	-71.3	-22.4	0	0	0	109.2	T404 F405 T406 Y433 C434 P436	T404-N444 HydrophobicContact CG2-CB 4.42Å; F405-N444 CarbonylContact O-C 3.6Å; F405-N444 WeakPolarHBondContact O-CA 3.27Å; T406-N444 WeakPolarHBondContact CB-OD1 3.31Å; T406-N444 WeakPolarHBondContact CG2-OD1 3.42Å; T406-N444 PolarHBondContact OG1-OD1 2.94Å; Y433-N444 CarbonylContact C-O 3.03Å; Y433-N444 WeakPolarHBondContact CA-O 3.27Å; Y433-N444 WeakPolarHBondContact CB-O 3.21Å; C434-N444 PolarHBondContact N-O 3.01Å; C434-N444 PolarHBondContact O-N 3.28Å; P436-N444 HydrophobicContact CG-CB 4.44Å; P436-N444 VanDerWaalsContact CG-ND2 3.34Å; P436-N444 WeakPolarHBondContact CG-ND2 3.15Å
445	F	96	Very high	94.4	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	110.8	-171.3	-149.8	-80.8	0	0	0	108.8	T404 F405 F407 G415 L418 R419 I422 C431 G432 Y433 I443 I447	T404-F445 CarbonylContact C-O 3.49Å; T404-F445 WeakPolarHBondContact CA-O 3.4Å; F405-F445 HydrophobicContact CB-CB 4.3Å; F405-F445 PolarHBondContact N-O 3.27Å; F405-F445 PolarHBondContact O-N 3.28Å; F407-F445 HydrophobicContact CD2-CB 4.23Å; F407-F445 HydrophobicContact CE2-CB 4.09Å; F407-F445 HydrophobicContact CE2-CG 4.36Å; G415-F445 WeakPolarHBondContact O-CE2 3.41Å; L418-F445 HydrophobicContact CB-CE2 4.31Å; L418-F445 HydrophobicContact CB-CZ 4.19Å; L418-F445 HydrophobicContact CD2-CE2 4.22Å; L418-F445 HydrophobicContact CD2-CZ 4.15Å; L418-F445 HydrophobicContact CG-CE1 4.48Å; L418-F445 HydrophobicContact CG-CE2 4.29Å; L418-F445 HydrophobicContact CG-CZ 3.9Å; R419-F445 HydrophobicContact CB-CE2 4.29Å; R419-F445 HydrophobicContact CB-CZ 3.85Å; I422-F445 HydrophobicContact CD1-CE1 3.54Å; I422-F445 HydrophobicContact CD1-CZ 4.02Å; C431-F445 WeakPolarHBondContact SG-CE1 3.41Å; G432-F445 CarbonylContact O-C 3.5Å; Y433-F445 HydrophobicContact CD1-CE2 4.2Å; Y433-F445 HydrophobicContact CG-CD2 4.13Å; Y433-F445 HydrophobicContact CG-CE2 4.11Å; I443-F445 HydrophobicContact CD1-CD2 4.34Å; F445-I447 HydrophobicContact CD1-CD1 4.17Å; F445-I447 HydrophobicContact CD1-CG1 3.92Å; F445-I447 HydrophobicContact CE1-CD1 4.23Å; F445-I447 HydrophobicContact CE1-CG1 4.08Å
446	D	97.6	Very high	94.4	Very high	27 Å²	27	57.5 Å²	57.5	14%	0.144	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.5	-178	-170.8	-2.1	0	0	0	109.3	R402 F430 C431 G432	R402-D446 IonicContact CZ-OD2 2.66Å; R402-D446 IonicContact NE-OD1 2.95Å; R402-D446 PolarHBondContact NE-OD1 3.27Å; R402-D446 IonicContact NE-OD2 3.63Å; R402-D446 PolarHBondContact NE-OD2 3.06Å; R402-D446 IonicContact NH2-OD2 3.86Å; R402-D446 PolarHBondContact NH2-OD2 3.31Å; F430-D446 HydrophobicContact CE1-CB 4.22Å; C431-D446 VanDerWaalsContact CA-O 3.3Å; C431-D446 WeakPolarHBondContact CA-O 3.48Å; G432-D446 PolarHBondContact N-O 3.23Å; G432-D446 PolarHBondContact O-N 2.92Å
447	I	98	Very high	94.6	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.1	177.3	-56.5	177	0	0	0	108	R402 A403 F405 I422 F445 M449 A454 A457 L458	R402-I447 VanDerWaalsContact CA-O 3.28Å; R402-I447 WeakPolarHBondContact CA-O 3.19Å; A403-I447 PolarHBondContact N-O 2.84Å; A403-I447 PolarHBondContact O-N 2.78Å; F405-I447 HydrophobicContact CD2-CD1 4.23Å; F405-I447 HydrophobicContact CE2-CB 4.49Å; F405-I447 HydrophobicContact CE2-CD1 3.8Å; F405-I447 HydrophobicContact CE2-CG1 4.24Å; I422-I447 HydrophobicContact CD1-CD1 3.76Å; I422-I447 HydrophobicContact CG2-CD1 4.38Å; I422-I447 HydrophobicContact CG2-CG2 4.4Å; F445-I447 HydrophobicContact CD1-CD1 4.17Å; F445-I447 HydrophobicContact CD1-CG1 3.92Å; F445-I447 HydrophobicContact CE1-CD1 4.23Å; F445-I447 HydrophobicContact CE1-CG1 4.08Å; I447-M449 HydrophobicContact CG2-SD 3.9Å; I447-A454 HydrophobicContact CB-CB 4.19Å; I447-A454 HydrophobicContact CG2-CB 4.13Å; I447-A457 HydrophobicContact CG2-CB 4.07Å; I447-L458 HydrophobicContact CD1-CB 3.85Å; I447-L458 HydrophobicContact CD1-CD1 4.21Å
448	Q	97.5	Very high	94.9	Very high	77 Å²	77	50.8 Å²	50.8	36%	0.36	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	126.3	172.2	-172.2	-177.7	-1.8	0	0	110	S401 R402 S429 F430	S401-Q448 CarbonylContact O-C 3.52Å; S401-Q448 WeakPolarHBondContact O-CA 3.39Å; R402-Q448 HydrophobicContact CB-CG 4.47Å; R402-Q448 HydrophobicContact CG-CB 4.4Å; S429-Q448 WeakPolarHBondContact CA-O 3.35Å; S429-Q448 WeakPolarHBondContact CB-O 3.45Å; S429-Q448 PolarHBondContact N-O 3.27Å; F430-Q448 HydrophobicContact CB-CB 4.08Å; F430-Q448 PolarHBondContact N-O 2.83Å; F430-Q448 PolarHBondContact O-N 3.06Å
449	M	97.5	Very high	95.2	Very high	12 Å²	12	48.6 Å²	48.6	6%	0.059	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	148.2	179.8	-56.3	-55.8	-71.7	0	0	111.1	S401 S427 V428 I447 K451 A454 A457	S401-M449 WeakPolarHBondContact O-CB 3.27Å; S401-M449 WeakPolarHBondContact O-CG 3.28Å; S401-M449 PolarHBondContact O-N 2.99Å; S427-M449 WeakPolarHBondContact OG-CE 3.5Å; V428-M449 HydrophobicContact CB-SD 4.42Å; V428-M449 HydrophobicContact CG2-CE 3.99Å; V428-M449 HydrophobicContact CG2-SD 3.7Å; I447-M449 HydrophobicContact CG2-SD 3.9Å; M449-K451 WeakPolarHBondContact CE-O 3.31Å; M449-A454 HydrophobicContact CG-CB 4.2Å; M449-A457 HydrophobicContact CE-CB 3.73Å; M449-A457 HydrophobicContact SD-CB 3.38Å; M449-A457 WeakPolarHBondContact SD-CB 3.38Å
450	K	95.9	Very high	95.5	Very high	134 Å²	134	45.6 Å²	45.6	58%	0.583	23%	0.234	S	C	*	.	S	Bend	trans	-80.1	-37.3	160.4	-58	176.4	-168.6	150	0	110.4	E426 S427	E426-K450 PolarHBondContact O-NZ 3.25Å; S427-K450 WeakPolarHBondContact O-CB 3.37Å; S427-K450 PolarHBondContact O-N 3.34Å
451	K	91.6	Very high	95.9	Very high	169 Å²	169	41.8 Å²	41.8	74%	0.735	22%	0.216	S	C	*	.	S	Bend	trans	-150.6	141.8	179.3	-63.7	-174.1	-179.4	-179.2	0	109.5	M449	M449-K451 WeakPolarHBondContact CE-O 3.31Å
452	G	93.6	Very high	96.1	Very high	56 Å²	56	39 Å²	39	58%	0.577	20%	0.201	S	C	*	.	S	Bend	trans	91.7	-170.3	179.3	0	0	0	0	0	113.5
453	S	94.6	Very high	96.3	Very high	22 Å²	22	40.2 Å²	40.2	15%	0.154	21%	0.207	C	C	.	.			trans	-97.9	135.3	-174.3	172	0	0	0	0	111.7	K400 I455 D456 A457	K400-S453 WeakPolarHBondContact O-CA 3.12Å; S453-I455 PolarHBondContact O-N 2.61Å; S453-I455 PolarHBondContact OG-N 2.88Å; S453-D456 WeakPolarHBondContact CB-OD2 3.47Å; S453-D456 PolarHBondContact O-N 3.11Å; S453-A457 PolarHBondContact O-N 2.77Å
454	A	96.1	Very high	96.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-29.7	174.2	0	0	0	0	0	112.5	K400 A403 I447 M449 A457 L458	K400-A454 PolarHBondContact O-N 3.38Å; A403-A454 HydrophobicContact CB-CB 3.62Å; I447-A454 HydrophobicContact CB-CB 4.19Å; I447-A454 HydrophobicContact CG2-CB 4.13Å; M449-A454 HydrophobicContact CG-CB 4.2Å; A454-A457 PolarHBondContact O-N 2.85Å; A454-L458 PolarHBondContact O-N 2.8Å
455	I	94.8	Very high	96.3	Very high	8 Å²	8	39 Å²	39	4%	0.041	20%	0.202	C	C	.	.	H	α-helix	trans	-67	-42.1	174.4	-61.2	176.8	0	0	0	110.5	F347 I396 F405 S453 A457 L458 R459	F347-I455 HydrophobicContact CD1-CG2 4.04Å; F347-I455 HydrophobicContact CE1-CG2 4.17Å; I396-I455 HydrophobicContact CD1-CD1 3.67Å; I396-I455 HydrophobicContact CD1-CG1 4.07Å; F405-I455 HydrophobicContact CE1-CG1 4.16Å; F405-I455 HydrophobicContact CZ-CG1 4.06Å; S453-I455 PolarHBondContact O-N 2.61Å; S453-I455 PolarHBondContact OG-N 2.88Å; I455-A457 VanDerWaalsContact C-N 3.34Å; I455-L458 WeakPolarHBondContact O-CB 3.37Å; I455-L458 PolarHBondContact O-N 3.07Å; I455-R459 WeakPolarHBondContact O-CG 3.19Å; I455-R459 PolarHBondContact O-N 2.74Å
456	D	94.9	Very high	96.4	Very high	72 Å²	72	41.7 Å²	41.7	39%	0.385	21%	0.212	S	C	.	.	H	α-helix	trans	-68.8	-36.6	178.5	-65.9	-29.5	0	0	0	111.1	S453 L458 R459 N460	S453-D456 WeakPolarHBondContact CB-OD2 3.47Å; S453-D456 PolarHBondContact O-N 3.11Å; D456-L458 VanDerWaalsContact C-N 3.33Å; D456-L458 PolarHBondContact O-N 3.49Å; D456-R459 PolarHBondContact O-N 2.66Å; D456-R459 IonicContact OD1-CZ 3.33Å; D456-R459 IonicContact OD1-NH1 3.89Å; D456-R459 PolarHBondContact OD1-NH1 3.04Å; D456-N460 VanDerWaalsContact O-CB 3.3Å; D456-N460 WeakPolarHBondContact O-CB 3.27Å; D456-N460 PolarHBondContact O-N 2.82Å; D456-N460 PolarHBondContact O-ND2 3.19Å
457	A	96.3	Very high	96.4	Very high	4 Å²	4	41.8 Å²	41.8	3%	0.033	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-40	171.7	0	0	0	0	0	112.4	V428 I447 M449 S453 A454 I455 G461	V428-A457 HydrophobicContact CG2-CB 4.21Å; I447-A457 HydrophobicContact CG2-CB 4.07Å; M449-A457 HydrophobicContact CE-CB 3.73Å; M449-A457 HydrophobicContact SD-CB 3.38Å; M449-A457 WeakPolarHBondContact SD-CB 3.38Å; S453-A457 PolarHBondContact O-N 2.77Å; A454-A457 PolarHBondContact O-N 2.85Å; I455-A457 VanDerWaalsContact C-N 3.34Å; A457-G461 PolarHBondContact O-N 2.89Å
458	L	97.5	Very high	96.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.7	-49.7	173.4	180	61.5	0	0	0	111.6	T342 L391 F405 F407 L418 I422 I447 A454 I455 D456 N460 G461 L462	T342-L458 HydrophobicContact CG2-CD2 4.05Å; L391-L458 HydrophobicContact CD2-CD2 4.31Å; F405-L458 HydrophobicContact CD1-CD2 3.59Å; F405-L458 HydrophobicContact CD2-CD2 3.96Å; F405-L458 HydrophobicContact CE1-CD2 3.63Å; F405-L458 HydrophobicContact CE2-CB 4.24Å; F405-L458 HydrophobicContact CE2-CD2 4.01Å; F405-L458 HydrophobicContact CG-CD2 3.75Å; F405-L458 HydrophobicContact CZ-CB 4.2Å; F405-L458 HydrophobicContact CZ-CD2 3.85Å; F407-L458 HydrophobicContact CE2-CD1 4.43Å; F407-L458 HydrophobicContact CZ-CD1 4.04Å; F407-L458 HydrophobicContact CZ-CD2 4.35Å; L418-L458 HydrophobicContact CD2-CD1 3.92Å; I422-L458 HydrophobicContact CD1-CD1 4.13Å; I447-L458 HydrophobicContact CD1-CB 3.85Å; I447-L458 HydrophobicContact CD1-CD1 4.21Å; A454-L458 PolarHBondContact O-N 2.8Å; I455-L458 WeakPolarHBondContact O-CB 3.37Å; I455-L458 PolarHBondContact O-N 3.07Å; D456-L458 VanDerWaalsContact C-N 3.33Å; D456-L458 PolarHBondContact O-N 3.49Å; L458-N460 PolarHBondContact O-N 2.93Å; L458-G461 PolarHBondContact O-N 2.7Å; L458-L462 HydrophobicContact CD1-CD1 4.35Å; L458-L462 HydrophobicContact CD1-CG 4.39Å; L458-L462 HydrophobicContact CG-CD1 4.14Å; L458-L462 WeakPolarHBondContact O-CG 3.18Å; L458-L462 PolarHBondContact O-N 3.31Å
459	R	96.4	Very high	96.5	Very high	71 Å²	71	38.1 Å²	38.1	27%	0.268	20%	0.195	S	C	.	.	H	α-helix	trans	-56.2	-49.6	176.9	-74.1	175.7	-173	147.8	-4.9	111.6	T342 I455 D456 G461 L462 Q463	T342-R459 HydrophobicContact CG2-CG 4.39Å; T342-R459 VanDerWaalsContact O-CZ 3.24Å; T342-R459 PolarHBondContact O-NE 2.97Å; T342-R459 PolarHBondContact O-NH2 3.2Å; T342-R459 VanDerWaalsContact OG1-CG 3.29Å; T342-R459 WeakPolarHBondContact OG1-CG 3.02Å; I455-R459 WeakPolarHBondContact O-CG 3.19Å; I455-R459 PolarHBondContact O-N 2.74Å; D456-R459 PolarHBondContact O-N 2.66Å; D456-R459 IonicContact OD1-CZ 3.33Å; D456-R459 IonicContact OD1-NH1 3.89Å; D456-R459 PolarHBondContact OD1-NH1 3.04Å; R459-G461 VanDerWaalsContact C-N 3.31Å; R459-G461 PolarHBondContact O-N 2.74Å; R459-L462 PolarHBondContact O-N 3.1Å; R459-Q463 WeakPolarHBondContact O-CB 3.36Å; R459-Q463 PolarHBondContact O-N 2.81Å
460	N	96	Very high	96.5	Very high	94 Å²	94	40.6 Å²	40.6	50%	0.503	21%	0.207	S	C	.	.	H	α-helix	trans	-62.8	-38.9	178.5	-69.3	-20.4	0	0	0	111.7	D456 L458 Q463 C464	D456-N460 VanDerWaalsContact O-CB 3.3Å; D456-N460 WeakPolarHBondContact O-CB 3.27Å; D456-N460 PolarHBondContact O-N 2.82Å; D456-N460 PolarHBondContact O-ND2 3.19Å; L458-N460 PolarHBondContact O-N 2.93Å; N460-Q463 PolarHBondContact O-N 3.15Å; N460-C464 WeakPolarHBondContact O-CB 3.22Å; N460-C464 PolarHBondContact O-N 2.9Å
461	G	97.2	Very high	96.6	Very high	3 Å²	3	36 Å²	36	3%	0.031	19%	0.187	C	C	.	.	H	α-helix	trans	-61.5	-47.4	174.1	0	0	0	0	0	113	A457 L458 R459 C464 L465	A457-G461 PolarHBondContact O-N 2.89Å; L458-G461 PolarHBondContact O-N 2.7Å; R459-G461 VanDerWaalsContact C-N 3.31Å; R459-G461 PolarHBondContact O-N 2.74Å; G461-C464 WeakPolarHBondContact O-CB 3.47Å; G461-C464 PolarHBondContact O-N 3.03Å; G461-L465 WeakPolarHBondContact O-CB 3.43Å; G461-L465 PolarHBondContact O-N 3.14Å
462	L	98.2	Very high	97	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.4	-43.3	176.7	-70.7	166.5	0	0	0	111.6	M339 T342 L418 L458 R459 L465 R466	M339-L462 HydrophobicContact CG-CB 3.61Å; M339-L462 HydrophobicContact CG-CD1 4.26Å; M339-L462 HydrophobicContact SD-CB 4.38Å; T342-L462 HydrophobicContact CG2-CD1 4.32Å; L418-L462 HydrophobicContact CD1-CD2 3.91Å; L418-L462 HydrophobicContact CD1-CG 4.03Å; L418-L462 HydrophobicContact CD2-CD2 3.92Å; L418-L462 HydrophobicContact CD2-CG 4.47Å; L458-L462 HydrophobicContact CD1-CD1 4.35Å; L458-L462 HydrophobicContact CD1-CG 4.39Å; L458-L462 HydrophobicContact CG-CD1 4.14Å; L458-L462 WeakPolarHBondContact O-CG 3.18Å; L458-L462 PolarHBondContact O-N 3.31Å; R459-L462 PolarHBondContact O-N 3.1Å; L462-L465 PolarHBondContact O-N 3.42Å; L462-R466 WeakPolarHBondContact O-CB 3.36Å; L462-R466 PolarHBondContact O-N 3.18Å
463	Q	97.7	Very high	97.2	Very high	52 Å²	52	28.6 Å²	28.6	24%	0.243	14%	0.139	C	C	.	.	H	α-helix	trans	-60.1	-47.4	175	176.3	56	53.5	0	0	111.3	M339 R459 N460 R466 D467	M339-Q463 HydrophobicContact CE-CB 3.98Å; M339-Q463 HydrophobicContact CE-CG 4.47Å; M339-Q463 HydrophobicContact SD-CB 4.18Å; R459-Q463 WeakPolarHBondContact O-CB 3.36Å; R459-Q463 PolarHBondContact O-N 2.81Å; N460-Q463 PolarHBondContact O-N 3.15Å; Q463-R466 WeakPolarHBondContact O-CB 3.49Å; Q463-R466 PolarHBondContact O-N 2.92Å; Q463-D467 PolarHBondContact NE2-OD1 2.82Å; Q463-D467 PolarHBondContact NE2-OD2 3.31Å; Q463-D467 VanDerWaalsContact O-CG 3.28Å; Q463-D467 PolarHBondContact O-N 2.97Å
464	C	97	Very high	97.4	Very high	19 Å²	19	33 Å²	33	13%	0.128	16%	0.157	C	C	.	.	H	α-helix	trans	-59.6	-46.7	177	179.1	0	0	0	0	111.9	W27 C421 N460 G461 D467 C468	W27-C464 WeakPolarHBondContact CH2-SG 3.35Å; C421-C464 HydrophobicContact CB-CB 4.16Å; N460-C464 WeakPolarHBondContact O-CB 3.22Å; N460-C464 PolarHBondContact O-N 2.9Å; G461-C464 WeakPolarHBondContact O-CB 3.47Å; G461-C464 PolarHBondContact O-N 3.03Å; C464-D467 PolarHBondContact O-N 3.47Å; C464-C468 PolarHBondContact O-N 3.16Å; C464-C468 PolarHBondContact O-SG 2.81Å
465	L	98	Very high	97.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.6	-45.6	177.7	-177.6	60.9	0	0	0	111.5	F61 M331 L414 A417 L418 C421 G461 L462 D467 C468 F469	F61-L465 HydrophobicContact CD1-CD1 4.22Å; F61-L465 HydrophobicContact CE1-CD1 3.83Å; M331-L465 HydrophobicContact SD-CD2 4.03Å; L414-L465 HydrophobicContact CD1-CD2 3.91Å; A417-L465 HydrophobicContact CB-CD1 3.76Å; A417-L465 HydrophobicContact CB-CD2 4.31Å; L418-L465 HydrophobicContact CB-CD2 4.11Å; L418-L465 HydrophobicContact CD1-CD2 4.47Å; C421-L465 HydrophobicContact CB-CB 4.39Å; G461-L465 WeakPolarHBondContact O-CB 3.43Å; G461-L465 PolarHBondContact O-N 3.14Å; L462-L465 PolarHBondContact O-N 3.42Å; L465-D467 VanDerWaalsContact C-N 3.33Å; L465-D467 PolarHBondContact O-N 2.89Å; L465-C468 PolarHBondContact O-N 3.41Å; L465-F469 HydrophobicContact CD1-CD2 3.67Å; L465-F469 HydrophobicContact CD1-CE2 3.48Å; L465-F469 VanDerWaalsContact CD1-CE2 3.48Å; L465-F469 HydrophobicContact CG-CD2 4.26Å; L465-F469 HydrophobicContact CG-CE2 4.4Å; L465-F469 WeakPolarHBondContact O-CD2 3.39Å; L465-F469 PolarHBondContact O-N 2.84Å
466	R	98.3	Very high	97.6	Very high	56 Å²	56	34.1 Å²	34.1	21%	0.211	16%	0.164	C	C	.	.	H	α-helix	trans	-55.6	-48.8	175.8	-167.4	-177.7	72.2	-166.1	5.4	111.2	I332 C335 S336 M339 L462 Q463 C468 F469 Q470	I332-R466 HydrophobicContact CG2-CG 4.13Å; C335-R466 HydrophobicContact CB-CB 3.62Å; C335-R466 HydrophobicContact CB-CG 4.03Å; S336-R466 WeakPolarHBondContact OG-CD 3.39Å; M339-R466 VanDerWaalsContact CE-NH1 3.33Å; M339-R466 PolarHBondContact SD-NH1 3.43Å; L462-R466 WeakPolarHBondContact O-CB 3.36Å; L462-R466 PolarHBondContact O-N 3.18Å; Q463-R466 WeakPolarHBondContact O-CB 3.49Å; Q463-R466 PolarHBondContact O-N 2.92Å; R466-C468 PolarHBondContact O-N 2.99Å; R466-F469 PolarHBondContact O-N 2.72Å; R466-Q470 HydrophobicContact CG-CG 4.49Å; R466-Q470 WeakPolarHBondContact O-CB 3.32Å; R466-Q470 VanDerWaalsContact O-CG 3.29Å; R466-Q470 WeakPolarHBondContact O-CG 3.11Å; R466-Q470 PolarHBondContact O-N 2.81Å
467	D	98.2	Very high	97.6	Very high	28 Å²	28	32.9 Å²	32.9	15%	0.15	16%	0.157	C	C	.	.	H	α-helix	trans	-68	-35.2	-177.7	-70.2	-11.7	0	0	0	112.5	L29 Q463 C464 L465 H471	L29-D467 HydrophobicContact CD1-CB 4.06Å; L29-D467 HydrophobicContact CD2-CB 3.73Å; Q463-D467 PolarHBondContact NE2-OD1 2.82Å; Q463-D467 PolarHBondContact NE2-OD2 3.31Å; Q463-D467 VanDerWaalsContact O-CG 3.28Å; Q463-D467 PolarHBondContact O-N 2.97Å; C464-D467 PolarHBondContact O-N 3.47Å; L465-D467 VanDerWaalsContact C-N 3.33Å; L465-D467 PolarHBondContact O-N 2.89Å; D467-H471 WeakPolarHBondContact O-CB 3.42Å; D467-H471 PolarHBondContact O-N 2.69Å
468	C	97.9	Very high	97.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.8	-51.3	172.5	-69.3	0	0	0	0	110.3	L29 F32 F61 C464 L465 R466 Q470 H471 M472	L29-C468 VanDerWaalsContact CD1-SG 3.56Å; F32-C468 HydrophobicContact CD1-CB 4.42Å; F32-C468 HydrophobicContact CE1-CB 3.89Å; F32-C468 HydrophobicContact CZ-CB 4.48Å; F61-C468 HydrophobicContact CE2-CB 4.39Å; F61-C468 HydrophobicContact CZ-CB 4.22Å; C464-C468 PolarHBondContact O-N 3.16Å; C464-C468 PolarHBondContact O-SG 2.81Å; L465-C468 PolarHBondContact O-N 3.41Å; R466-C468 PolarHBondContact O-N 2.99Å; C468-Q470 PolarHBondContact O-N 3.05Å; C468-H471 PolarHBondContact O-N 2.93Å; C468-M472 VanDerWaalsContact O-CG 3.26Å; C468-M472 WeakPolarHBondContact O-CG 3.42Å; C468-M472 PolarHBondContact O-N 2.79Å
469	F	98.5	Very high	97.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-68.1	-35.4	-179.4	-87.4	-104.8	0	0	0	113.2	F61 A64 V65 L328 M331 I332 L465 R466 M472 K473	F61-F469 AromaticContact CD1-CE2 3.95Å; F61-F469 HydrophobicContact CD1-CE2 3.95Å; F61-F469 HydrophobicContact CG-CE2 4.46Å; A64-F469 HydrophobicContact CB-CZ 3.91Å; V65-F469 HydrophobicContact CG2-CE1 3.87Å; V65-F469 HydrophobicContact CG2-CZ 4.38Å; L328-F469 HydrophobicContact CD2-CD1 3.72Å; L328-F469 HydrophobicContact CD2-CE1 4.08Å; M331-F469 HydrophobicContact CB-CD1 3.38Å; M331-F469 HydrophobicContact CB-CE1 3.54Å; M331-F469 HydrophobicContact CB-CG 3.9Å; M331-F469 HydrophobicContact CB-CZ 4.2Å; M331-F469 HydrophobicContact CE-CE1 4.39Å; M331-F469 HydrophobicContact CE-CE2 4.42Å; M331-F469 HydrophobicContact CE-CZ 3.97Å; M331-F469 HydrophobicContact CG-CB 4.43Å; M331-F469 HydrophobicContact CG-CD1 3.57Å; M331-F469 HydrophobicContact CG-CD2 3.78Å; M331-F469 HydrophobicContact CG-CE1 3.62Å; M331-F469 HydrophobicContact CG-CE2 3.85Å; M331-F469 HydrophobicContact CG-CG 3.64Å; M331-F469 HydrophobicContact CG-CZ 3.76Å; I332-F469 HydrophobicContact CD1-CB 4.44Å; I332-F469 HydrophobicContact CG1-CB 3.8Å; L465-F469 HydrophobicContact CD1-CD2 3.67Å; L465-F469 HydrophobicContact CD1-CE2 3.48Å; L465-F469 VanDerWaalsContact CD1-CE2 3.48Å; L465-F469 HydrophobicContact CG-CD2 4.26Å; L465-F469 HydrophobicContact CG-CE2 4.4Å; L465-F469 WeakPolarHBondContact O-CD2 3.39Å; L465-F469 PolarHBondContact O-N 2.84Å; R466-F469 PolarHBondContact O-N 2.72Å; F469-M472 HydrophobicContact CD2-SD 4.42Å; F469-M472 PolarHBondContact O-N 2.8Å; F469-K473 WeakPolarHBondContact O-CB 3.32Å; F469-K473 PolarHBondContact O-N 2.83Å
470	Q	98.4	Very high	97.3	Very high	65 Å²	65	33.4 Å²	33.4	30%	0.304	17%	0.171	S	C	.	.	H	α-helix	trans	-60	-48.6	170.3	-77.8	178.4	-8.3	0	0	110.6	I332 R466 C468 K473 H474	I332-Q470 HydrophobicContact CD1-CB 4.4Å; I332-Q470 HydrophobicContact CD1-CG 3.8Å; I332-Q470 HydrophobicContact CG1-CG 3.97Å; I332-Q470 HydrophobicContact CG2-CG 4.09Å; R466-Q470 HydrophobicContact CG-CG 4.49Å; R466-Q470 WeakPolarHBondContact O-CB 3.32Å; R466-Q470 VanDerWaalsContact O-CG 3.29Å; R466-Q470 WeakPolarHBondContact O-CG 3.11Å; R466-Q470 PolarHBondContact O-N 2.81Å; C468-Q470 PolarHBondContact O-N 3.05Å; Q470-K473 PolarHBondContact O-N 2.79Å; Q470-H474 PolarHBondContact O-N 2.78Å; Q470-H474 PolarHBondContact O-ND1 2.82Å
471	H	98.3	Very high	97.1	Very high	36 Å²	36	35.8 Å²	35.8	17%	0.167	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-46.6	177.3	-179.1	70.6	0	0	0	111.5	K33 F36 D467 C468 K473 H474 T475	K33-H471 HydrophobicContact CG-CB 4.11Å; K33-H471 PolarHBondContact O-CE1 3.13Å; K33-H471 PolarHBondContact O-NE2 2.94Å; F36-H471 AromaticContact CD1-CD2 3.7Å; F36-H471 AromaticContact CD1-NE2 3.81Å; D467-H471 WeakPolarHBondContact O-CB 3.42Å; D467-H471 PolarHBondContact O-N 2.69Å; C468-H471 PolarHBondContact O-N 2.93Å; H471-K473 VanDerWaalsContact C-N 3.28Å; H471-K473 PolarHBondContact O-N 2.91Å; H471-H474 PolarHBondContact O-N 3.21Å; H471-H474 VanDerWaalsContact O-N 3.15Å; H471-T475 PolarHBondContact CE1-OG1 3.15Å; H471-T475 PolarHBondContact NE2-OG1 3.28Å; H471-T475 WeakPolarHBondContact O-CB 3.43Å; H471-T475 PolarHBondContact O-N 3.09Å; H471-T475 PolarHBondContact O-OG1 2.87Å; H471-T475 VanDerWaalsContact O-OG1 3.08Å
472	M	98.4	Very high	96.8	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-54.6	-44.2	175.6	-70.1	169.8	67.5	0	0	112	F32 F36 M54 L57 F61 V65 L328 C468 F469 T475 F476	F32-M472 HydrophobicContact CZ-CG 4.02Å; F32-M472 HydrophobicContact CZ-SD 4.41Å; F36-M472 HydrophobicContact CD1-CG 4.31Å; F36-M472 HydrophobicContact CE1-CB 4.07Å; F36-M472 HydrophobicContact CE1-CG 3.76Å; F36-M472 HydrophobicContact CE2-CG 4.24Å; F36-M472 HydrophobicContact CZ-CB 4.23Å; F36-M472 HydrophobicContact CZ-CG 3.71Å; M54-M472 HydrophobicContact SD-CE 3.87Å; L57-M472 HydrophobicContact CD1-CE 4.3Å; F61-M472 HydrophobicContact CB-CE 4.27Å; F61-M472 HydrophobicContact CB-SD 4.22Å; V65-M472 HydrophobicContact CG2-CE 4.01Å; L328-M472 HydrophobicContact CD2-CB 4Å; L328-M472 HydrophobicContact CD2-CE 3.99Å; C468-M472 VanDerWaalsContact O-CG 3.26Å; C468-M472 WeakPolarHBondContact O-CG 3.42Å; C468-M472 PolarHBondContact O-N 2.79Å; F469-M472 HydrophobicContact CD2-SD 4.42Å; F469-M472 PolarHBondContact O-N 2.8Å; M472-T475 PolarHBondContact O-N 2.89Å; M472-F476 VanDerWaalsContact O-CB 3.23Å; M472-F476 WeakPolarHBondContact O-CB 3.47Å; M472-F476 PolarHBondContact O-N 3.03Å
473	K	98.4	Very high	96.3	Very high	67 Å²	67	41.6 Å²	41.6	29%	0.291	21%	0.207	S	C	.	.	H	α-helix	trans	-61.9	-45.9	177	-172	176.1	177.8	179.5	0	112.4	L328 I332 F469 Q470 H471 I477	L328-K473 HydrophobicContact CB-CB 4.04Å; L328-K473 HydrophobicContact CB-CD 4.42Å; L328-K473 HydrophobicContact CB-CG 4.27Å; L328-K473 HydrophobicContact CD1-CB 4.07Å; L328-K473 HydrophobicContact CD1-CG 4.48Å; I332-K473 HydrophobicContact CD1-CB 4.41Å; I332-K473 HydrophobicContact CD1-CD 3.86Å; F469-K473 WeakPolarHBondContact O-CB 3.32Å; F469-K473 PolarHBondContact O-N 2.83Å; Q470-K473 PolarHBondContact O-N 2.79Å; H471-K473 VanDerWaalsContact C-N 3.28Å; H471-K473 PolarHBondContact O-N 2.91Å; K473-I477 HydrophobicContact CG-CD1 4Å; K473-I477 WeakPolarHBondContact O-CB 3.31Å; K473-I477 WeakPolarHBondContact O-CD1 3.19Å; K473-I477 WeakPolarHBondContact O-CG1 3.3Å; K473-I477 PolarHBondContact O-N 3.23Å
474	H	98.1	Very high	95.7	Very high	116 Å²	116	44.4 Å²	44.4	54%	0.537	22%	0.216	S	C	.	.	H	α-helix	trans	-65.6	-44	178.3	-66.6	111.2	0	0	0	112.1	Q470 H471 I477 S478	Q470-H474 PolarHBondContact O-N 2.78Å; Q470-H474 PolarHBondContact O-ND1 2.82Å; H471-H474 PolarHBondContact O-N 3.21Å; H471-H474 VanDerWaalsContact O-N 3.15Å; H474-I477 PolarHBondContact O-N 2.71Å; H474-S478 WeakPolarHBondContact O-CB 3.4Å; H474-S478 PolarHBondContact O-N 3.11Å; H474-S478 PolarHBondContact O-OG 3.5Å
475	T	97.8	Very high	95.1	Very high	27 Å²	27	46.4 Å²	46.4	17%	0.166	23%	0.23	C	C	.	.	H	α-helix	trans	-64.4	-43.4	178.5	-58.3	0	0	0	0	111	F36 V38 H471 M472 S478 A479	F36-T475 HydrophobicContact CD1-CG2 4.04Å; F36-T475 HydrophobicContact CE1-CG2 3.94Å; V38-T475 HydrophobicContact CB-CG2 4.28Å; V38-T475 HydrophobicContact CG2-CG2 4.02Å; H471-T475 PolarHBondContact CE1-OG1 3.15Å; H471-T475 PolarHBondContact NE2-OG1 3.28Å; H471-T475 WeakPolarHBondContact O-CB 3.43Å; H471-T475 PolarHBondContact O-N 3.09Å; H471-T475 PolarHBondContact O-OG1 2.87Å; H471-T475 VanDerWaalsContact O-OG1 3.08Å; M472-T475 PolarHBondContact O-N 2.89Å; T475-S478 PolarHBondContact O-N 2.9Å; T475-A479 WeakPolarHBondContact O-CB 3.42Å; T475-A479 PolarHBondContact O-N 3.13Å
476	F	97.2	Very high	94.4	Very high	3 Å²	3	50.6 Å²	50.6	1%	0.013	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-47.5	174.4	-179.5	-94.1	0	0	0	112.3	V38 I40 M50 F52 V324 R325 L328 M472 S478 A479 M480	V38-F476 HydrophobicContact CG1-CD2 4.01Å; I40-F476 HydrophobicContact CD1-CE2 4.44Å; M50-F476 HydrophobicContact CE-CE2 3.55Å; M50-F476 HydrophobicContact CE-CZ 3.5Å; M50-F476 HydrophobicContact SD-CE2 4.49Å; M50-F476 HydrophobicContact SD-CZ 4.06Å; F52-F476 HydrophobicContact CD1-CE2 4.21Å; F52-F476 HydrophobicContact CD2-CD2 4.24Å; F52-F476 HydrophobicContact CD2-CE2 4.01Å; F52-F476 HydrophobicContact CE1-CE2 4.23Å; F52-F476 HydrophobicContact CE2-CD2 4.2Å; F52-F476 HydrophobicContact CE2-CE2 4.03Å; F52-F476 HydrophobicContact CG-CE2 4.1Å; F52-F476 HydrophobicContact CZ-CE2 4.14Å; V324-F476 HydrophobicContact CB-CE1 4.02Å; V324-F476 HydrophobicContact CB-CE2 4.17Å; V324-F476 HydrophobicContact CB-CZ 3.69Å; V324-F476 HydrophobicContact CG1-CD1 4.24Å; V324-F476 HydrophobicContact CG1-CD2 3.96Å; V324-F476 HydrophobicContact CG1-CE1 3.95Å; V324-F476 HydrophobicContact CG1-CE2 3.65Å; V324-F476 HydrophobicContact CG1-CG 4.25Å; V324-F476 HydrophobicContact CG1-CZ 3.63Å; V324-F476 HydrophobicContact CG2-CZ 4.2Å; R325-F476 HydrophobicContact CG-CD1 3.92Å; R325-F476 HydrophobicContact CG-CE1 3.91Å; L328-F476 HydrophobicContact CD1-CB 4.37Å; M472-F476 VanDerWaalsContact O-CB 3.23Å; M472-F476 WeakPolarHBondContact O-CB 3.47Å; M472-F476 PolarHBondContact O-N 3.03Å; F476-S478 VanDerWaalsContact C-N 3.26Å; F476-S478 PolarHBondContact O-N 2.84Å; F476-A479 PolarHBondContact O-N 3.05Å; F476-M480 HydrophobicContact CD1-CG 4.19Å; F476-M480 HydrophobicContact CE1-CG 3.8Å; F476-M480 HydrophobicContact CZ-CG 4.01Å; F476-M480 HydrophobicContact CZ-SD 4.34Å; F476-M480 WeakPolarHBondContact O-CB 3.44Å; F476-M480 WeakPolarHBondContact O-CG 3.47Å; F476-M480 PolarHBondContact O-N 3.4Å
477	I	96	Very high	93.1	Very high	47 Å²	47	52.4 Å²	52.4	24%	0.241	26%	0.263	C	S	.	.	H	α-helix	trans	-60.7	-38.8	177.2	-70.4	165.8	0	0	0	111	R325 K473 H474 M480 K481	R325-I477 HydrophobicContact CG-CG1 4.12Å; K473-I477 HydrophobicContact CG-CD1 4Å; K473-I477 WeakPolarHBondContact O-CB 3.31Å; K473-I477 WeakPolarHBondContact O-CD1 3.19Å; K473-I477 WeakPolarHBondContact O-CG1 3.3Å; K473-I477 PolarHBondContact O-N 3.23Å; H474-I477 PolarHBondContact O-N 2.71Å; I477-M480 PolarHBondContact O-N 2.72Å; I477-K481 WeakPolarHBondContact O-CG 3.35Å; I477-K481 PolarHBondContact O-N 2.93Å; I477-K481 VanDerWaalsContact O-N 3.11Å
478	S	96.1	Very high	91.9	Very high	61 Å²	61	59.5 Å²	59.5	43%	0.427	29%	0.292	S	S	.	.	H	α-helix	trans	-67.9	-46.2	179	-56.7	0	0	0	0	111.5	H474 T475 F476 M480 K481 I482	H474-S478 WeakPolarHBondContact O-CB 3.4Å; H474-S478 PolarHBondContact O-N 3.11Å; H474-S478 PolarHBondContact O-OG 3.5Å; T475-S478 PolarHBondContact O-N 2.9Å; F476-S478 VanDerWaalsContact C-N 3.26Å; F476-S478 PolarHBondContact O-N 2.84Å; S478-M480 VanDerWaalsContact C-N 3.29Å; S478-M480 PolarHBondContact O-N 3.32Å; S478-K481 PolarHBondContact O-N 3.42Å; S478-K481 VanDerWaalsContact O-N 3.13Å; S478-I482 WeakPolarHBondContact O-CG1 3.34Å; S478-I482 PolarHBondContact O-N 2.88Å
479	A	94.8	Very high	90.4	Very high	13 Å²	13	64.6 Å²	64.6	11%	0.107	33%	0.327	C	S	.	.	H	α-helix	trans	-58.7	-40.9	175	0	0	0	0	0	111.9	V38 I40 T475 F476 K481 I482 S483	V38-A479 HydrophobicContact CB-CB 3.98Å; V38-A479 HydrophobicContact CG1-CB 3.89Å; V38-A479 WeakPolarHBondContact O-CB 3.38Å; I40-A479 HydrophobicContact CD1-CB 4.09Å; I40-A479 HydrophobicContact CG1-CB 4.02Å; T475-A479 WeakPolarHBondContact O-CB 3.42Å; T475-A479 PolarHBondContact O-N 3.13Å; F476-A479 PolarHBondContact O-N 3.05Å; A479-K481 PolarHBondContact O-N 3.3Å; A479-I482 PolarHBondContact O-N 3.11Å; A479-S483 WeakPolarHBondContact O-CB 3.4Å; A479-S483 PolarHBondContact O-N 2.83Å
480	M	92.3	Very high	88.4	Confident	12 Å²	12	71.3 Å²	71.3	6%	0.059	37%	0.374	C	S	.	.	H	α-helix	trans	-60.9	-40.9	174.5	-79.8	-62.9	-55.9	0	0	113.3	I40 H43 M50 F476 I477 S478 R484	I40-M480 HydrophobicContact CD1-CG 4.28Å; I40-M480 HydrophobicContact CD1-SD 3.95Å; I40-M480 HydrophobicContact CG1-SD 4.13Å; I40-M480 HydrophobicContact CG2-SD 4.45Å; H43-M480 WeakPolarHBondContact NE2-CE 3.45Å; M50-M480 HydrophobicContact CE-SD 3.45Å; M50-M480 WeakPolarHBondContact CE-SD 3.48Å; M50-M480 HydrophobicContact SD-SD 4.37Å; F476-M480 HydrophobicContact CD1-CG 4.19Å; F476-M480 HydrophobicContact CE1-CG 3.8Å; F476-M480 HydrophobicContact CZ-CG 4.01Å; F476-M480 HydrophobicContact CZ-SD 4.34Å; F476-M480 WeakPolarHBondContact O-CB 3.44Å; F476-M480 WeakPolarHBondContact O-CG 3.47Å; F476-M480 PolarHBondContact O-N 3.4Å; I477-M480 PolarHBondContact O-N 2.72Å; S478-M480 VanDerWaalsContact C-N 3.29Å; S478-M480 PolarHBondContact O-N 3.32Å; M480-R484 WeakPolarHBondContact O-CG 3.45Å; M480-R484 PolarHBondContact O-N 3.08Å; M480-R484 VanDerWaalsContact O-N 3.16Å
481	K	92.3	Very high	87.9	Confident	143 Å²	143	71.6 Å²	71.6	62%	0.622	38%	0.378	S	S	*	.	H	α-helix	trans	-65.6	-44	176.5	-72.2	174.3	-179.2	-178.4	0	111.6	I477 S478 A479 R484 S485	I477-K481 WeakPolarHBondContact O-CG 3.35Å; I477-K481 PolarHBondContact O-N 2.93Å; I477-K481 VanDerWaalsContact O-N 3.11Å; S478-K481 PolarHBondContact O-N 3.42Å; S478-K481 VanDerWaalsContact O-N 3.13Å; A479-K481 PolarHBondContact O-N 3.3Å; K481-R484 PolarHBondContact O-N 3.07Å; K481-S485 PolarHBondContact O-N 3.31Å; K481-S485 PolarHBondContact O-OG 2.86Å
482	I	91.5	Very high	87.3	Confident	108 Å²	108	73.5 Å²	73.5	55%	0.554	39%	0.389	S	S	*	.	H	α-helix	trans	-64.1	-42.6	178.8	-64.8	164.8	0	0	0	111.1	S478 A479 R484 S485 T486	S478-I482 WeakPolarHBondContact O-CG1 3.34Å; S478-I482 PolarHBondContact O-N 2.88Å; A479-I482 PolarHBondContact O-N 3.11Å; I482-R484 VanDerWaalsContact C-N 3.33Å; I482-R484 PolarHBondContact O-N 2.83Å; I482-S485 WeakPolarHBondContact CA-OG 3.16Å; I482-S485 PolarHBondContact O-N 2.74Å; I482-S485 PolarHBondContact O-OG 3Å; I482-T486 WeakPolarHBondContact O-CB 3.41Å; I482-T486 PolarHBondContact O-N 2.56Å; I482-T486 PolarHBondContact O-OG1 2.93Å
483	S	87.7	Confident	86.7	Confident	17 Å²	17	77.4 Å²	77.4	12%	0.119	41%	0.41	C	S	.	.	H	α-helix	trans	-61.3	-42.4	176.9	-176.2	0	0	0	0	111.7	A479 R487	A479-S483 WeakPolarHBondContact O-CB 3.4Å; A479-S483 PolarHBondContact O-N 2.83Å; S483-R487 WeakPolarHBondContact O-CG 3.4Å; S483-R487 PolarHBondContact O-N 2.93Å
484	R	84.9	Confident	86	Confident	111 Å²	111	78 Å²	78	42%	0.419	42%	0.417	S	S	.	.	H	α-helix	trans	-64.7	-40.4	175.8	-72.9	176	-179.7	-173.8	-2.4	113	M480 K481 I482 K488	M480-R484 WeakPolarHBondContact O-CG 3.45Å; M480-R484 PolarHBondContact O-N 3.08Å; M480-R484 VanDerWaalsContact O-N 3.16Å; K481-R484 PolarHBondContact O-N 3.07Å; I482-R484 VanDerWaalsContact C-N 3.33Å; I482-R484 PolarHBondContact O-N 2.83Å; R484-K488 PolarHBondContact O-N 3.36Å
485	S	84.4	Confident	85.3	Confident	62 Å²	62	75.6 Å²	75.6	43%	0.434	41%	0.409	S	S	.	.	H	α-helix	trans	-69.3	-39.4	178.9	58.8	0	0	0	0	112.5	K481 I482 R487 K488 S489	K481-S485 PolarHBondContact O-N 3.31Å; K481-S485 PolarHBondContact O-OG 2.86Å; I482-S485 WeakPolarHBondContact CA-OG 3.16Å; I482-S485 PolarHBondContact O-N 2.74Å; I482-S485 PolarHBondContact O-OG 3Å; S485-R487 VanDerWaalsContact C-N 3.27Å; S485-R487 PolarHBondContact O-N 3.02Å; S485-K488 PolarHBondContact O-N 3.19Å; S485-S489 PolarHBondContact O-N 3.23Å; S485-S489 PolarHBondContact O-OG 3.4Å
486	T	81.9	Confident	84.4	Confident	87 Å²	87	78.9 Å²	78.9	53%	0.534	43%	0.426	S	S	.	.	H	α-helix	trans	-61	-40.1	179	-52.3	0	0	0	0	110.8	I482 S489 S490	I482-T486 WeakPolarHBondContact O-CB 3.41Å; I482-T486 PolarHBondContact O-N 2.56Å; I482-T486 PolarHBondContact O-OG1 2.93Å; T486-S489 PolarHBondContact O-N 3.06Å; T486-S490 PolarHBondContact O-N 2.79Å; T486-S490 VanDerWaalsContact O-N 3.17Å; T486-S490 PolarHBondContact O-OG 3.16Å
487	R	72.7	Confident	83.5	Confident	95 Å²	95	84.3 Å²	84.3	36%	0.358	46%	0.455	S	S	.	.	H	α-helix	trans	-75.1	-27.2	179	-72.1	175.6	-177.8	-174.6	-4	116.2	H43 S483 S485 S490	H43-R487 PolarHBondContact O-NH1 3.22Å; H43-R487 PolarHBondContact O-NH2 3.02Å; S483-R487 WeakPolarHBondContact O-CG 3.4Å; S483-R487 PolarHBondContact O-N 2.93Å; S485-R487 VanDerWaalsContact C-N 3.27Å; S485-R487 PolarHBondContact O-N 3.02Å; R487-S490 WeakPolarHBondContact CA-OG 3.44Å; R487-S490 PolarHBondContact O-OG 2.57Å; R487-S490 VanDerWaalsContact O-OG 3.11Å; R487-S490 VanDerWaalsContact O-OXT 3.05Å
488	K	71.5	Confident	82.5	Confident	177 Å²	177	87.2 Å²	87.2	77%	0.77	47%	0.471	S	S	*	.	H	α-helix	trans	-74	-18.1	172.4	-73.5	-175	177.5	-170.1	0	112.1	R484 S485	R484-K488 PolarHBondContact O-N 3.36Å; S485-K488 PolarHBondContact O-N 3.19Å
489	S	66.5	Low	81.4	Confident	106 Å²	106	89.3 Å²	89.3	74%	0.741	48%	0.475	S	S	*	.	H	α-helix	trans	-95.6	-25	-177.8	-50.8	0	0	0	0	112.8	S485 T486	S485-S489 PolarHBondContact O-N 3.23Å; S485-S489 PolarHBondContact O-OG 3.4Å; T486-S489 PolarHBondContact O-N 3.06Å
490	S	56.3	Low	80.2	Confident	141 Å²	141	96.3 Å²	96.3	99%	0.986	51%	0.509	S	S	*	.			trans	-82.5	0	168.3	61.1	0	0	0	0	111	T486 R487	T486-S490 PolarHBondContact O-N 2.79Å; T486-S490 VanDerWaalsContact O-N 3.17Å; T486-S490 PolarHBondContact O-OG 3.16Å; R487-S490 WeakPolarHBondContact CA-OG 3.44Å; R487-S490 PolarHBondContact O-OG 2.57Å; R487-S490 VanDerWaalsContact O-OG 3.11Å; R487-S490 VanDerWaalsContact O-OXT 3.05Å

Retrieved 490 of 490 residues in 198.5 ms (Link to these results)

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