A0A061I0X0_CRIGR Loading...

6-phosphofructo-2-kinase/fructose-2, 6-biphosphatase 1-like isoform 2

Synthesis and degradation of fructose 2,6-bisphosphate.

AlphaFold DB , UniProt , Accession A0A061I0X0, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Pfkfb1, Length 471 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.6	Very low	70.3	Confident	245 Å²	245	126.5 Å²	126.5	100%	1.207	68%	0.675	S	S	*	*				0	93.5	0	-73.1	-173.5	-86.4	0	0	107.2	Q3	M1-Q3 PolarHBondContact O-N 3.03Å
2	S	43.3	Very low	72.3	Confident	117 Å²	117	129.6 Å²	129.6	82%	0.818	67%	0.67	S	S	*	*			trans	-71.1	115.5	174.3	44.4	0	0	0	0	108.3	E4	S2-E4 PolarHBondContact O-N 3.39Å
3	Q	49	Very low	73.9	Confident	185 Å²	185	122.9 Å²	122.9	86%	0.864	64%	0.635	S	S	*	*			trans	-65.8	111.6	165.9	-86.1	175	-32.9	0	0	107.3	M1 M5	M1-Q3 PolarHBondContact O-N 3.03Å; Q3-M5 PolarHBondContact O-N 2.84Å
4	E	57.2	Low	75.2	Confident	187 Å²	187	118.1 Å²	118.1	87%	0.874	61%	0.608	S	S	*	*			trans	-58.5	106.6	161.4	-76.7	180	157.4	0	0	107.1	S2 G6	S2-E4 PolarHBondContact O-N 3.39Å; E4-G6 PolarHBondContact O-N 2.99Å; E4-G6 VanDerWaalsContact O-N 3.14Å
5	M	58	Low	76.6	Confident	182 Å²	182	111.8 Å²	111.8	90%	0.897	58%	0.575	S	S	*	*			trans	-64.4	112.8	167.2	-75.1	178.2	62.3	0	0	106.6	Q3 E7	Q3-M5 PolarHBondContact O-N 2.84Å; M5-E7 PolarHBondContact O-N 2.98Å
6	G	70.4	Confident	77.6	Confident	60 Å²	60	109.3 Å²	109.3	62%	0.619	56%	0.562	S	S	*	*			trans	-56	133.9	177.1	0	0	0	0	0	110.7	E4	E4-G6 PolarHBondContact O-N 2.99Å; E4-G6 VanDerWaalsContact O-N 3.14Å
7	E	87.5	Confident	78.5	Confident	139 Å²	139	112.1 Å²	112.1	65%	0.65	56%	0.564	S	S	*	*			trans	-58.7	139.7	175	-173.2	174.7	-167.2	0	0	109.9	M5 H20	M5-E7 PolarHBondContact O-N 2.98Å; E7-H20 HydrophobicContact CB-CB 3.97Å; E7-H20 HydrophobicContact CG-CB 4.1Å; E7-H20 WeakPolarHBondContact O-CB 3.33Å; E7-H20 PolarHBondContact O-N 2.87Å
8	L	90.9	Very high	79.1	Confident	99 Å²	99	109.1 Å²	109.1	52%	0.518	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	144.7	177.5	-60	-179.2	0	0	0	109.6	W17 I18 P19	L8-W17 HydrophobicContact CB-CE3 3.88Å; L8-W17 HydrophobicContact CB-CZ3 4.49Å; L8-W17 HydrophobicContact CD1-CB 4.47Å; L8-I18 CarbonylContact C-O 3.55Å; L8-I18 WeakPolarHBondContact CA-O 3.39Å; L8-P19 HydrophobicContact CD2-CG 4.49Å
9	T	92.4	Very high	79.6	Confident	58 Å²	58	107.9 Å²	107.9	36%	0.356	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	152.5	170.1	-173.7	0	0	0	0	110.1	I18 H20	T9-I18 HydrophobicContact CG2-CD1 4.31Å; T9-I18 HydrophobicContact CG2-CG1 3.83Å; T9-I18 PolarHBondContact N-O 3Å; T9-I18 WeakPolarHBondContact O-CG1 3.42Å; T9-I18 PolarHBondContact O-N 2.75Å; T9-I18 VanDerWaalsContact O-O 3.1Å; T9-H20 HydrophobicContact CG2-CB 4.46Å
10	Q	92.8	Very high	79.5	Confident	81 Å²	81	107.1 Å²	107.1	38%	0.379	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.3	-179.2	-164.4	177.9	39.5	0	0	110.2	R12 K15 I16 W17	Q10-R12 PolarHBondContact O-N 2.74Å; Q10-K15 VanDerWaalsContact CG-C 3.43Å; Q10-K15 HydrophobicContact CG-CB 4.37Å; Q10-K15 PolarHBondContact NE2-O 3.07Å; Q10-I16 CarbonylContact C-O 3.52Å; Q10-I16 WeakPolarHBondContact CA-O 3.19Å; Q10-W17 HydrophobicContact CB-CD2 4.16Å; Q10-W17 HydrophobicContact CB-CE3 4Å; Q10-W17 HydrophobicContact CB-CH2 4.25Å; Q10-W17 HydrophobicContact CB-CZ2 4.39Å; Q10-W17 HydrophobicContact CB-CZ3 4.06Å; Q10-W17 HydrophobicContact CG-CD2 4.38Å
11	T	93.4	Very high	78.8	Confident	39 Å²	39	104.7 Å²	104.7	24%	0.239	54%	0.537	C	S	.	.			trans	-63	134.9	173.8	62.6	0	0	0	0	110	L13 K15 I16 I18	T11-L13 PolarHBondContact O-N 2.84Å; T11-K15 WeakPolarHBondContact O-CA 3.21Å; T11-K15 PolarHBondContact O-N 3.4Å; T11-K15 PolarHBondContact OG1-N 3.47Å; T11-I16 HydrophobicContact CG2-CB 4.49Å; T11-I16 PolarHBondContact N-O 3.07Å; T11-I16 PolarHBondContact OG1-N 2.89Å; T11-I16 PolarHBondContact OG1-O 2.95Å; T11-I18 HydrophobicContact CG2-CD1 3.9Å; T11-I18 HydrophobicContact CG2-CG1 4.21Å; T11-I18 HydrophobicContact CG2-CG2 4.06Å
12	R	93.7	Very high	79.2	Confident	163 Å²	163	98.7 Å²	98.7	62%	0.615	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-43.4	-176.3	-61.8	-171.8	-177.7	-171.2	4.7	113.9	Q10 K15 E348 L352	Q10-R12 PolarHBondContact O-N 2.74Å; R12-K15 WeakPolarHBondContact O-CD 3.35Å; R12-K15 WeakPolarHBondContact O-CE 3.18Å; R12-K15 PolarHBondContact O-NZ 3.09Å; R12-E348 WeakPolarHBondContact CD-OE1 3.32Å; R12-E348 IonicContact CZ-OE1 3.55Å; R12-E348 IonicContact NE-OE1 3.17Å; R12-E348 IonicContact NH1-OE1 2.72Å; R12-E348 PolarHBondContact NH1-OE1 3.21Å; R12-L352 HydrophobicContact CB-CD1 3.92Å; R12-L352 HydrophobicContact CB-CD2 4.46Å
13	L	93.1	Very high	79.2	Confident	43 Å²	43	95.2 Å²	95.2	23%	0.225	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-58.2	-174.6	-170.9	75.3	0	0	0	112.7	T11 L352 D356 R359 Y360 R361	T11-L13 PolarHBondContact O-N 2.84Å; L13-L352 WeakPolarHBondContact CD1-O 3.33Å; L13-D356 HydrophobicContact CD1-CB 4.02Å; L13-D356 HydrophobicContact CD2-CB 3.83Å; L13-R359 HydrophobicContact CD2-CB 3.99Å; L13-Y360 HydrophobicContact CD1-CD2 4.31Å; L13-R361 PolarHBondContact O-N 2.78Å
14	Q	92.9	Very high	78.9	Confident	55 Å²	55	92.4 Å²	92.4	26%	0.257	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-6.5	-172.9	-65.5	178.8	-61.7	0	0	113.2	I16 R359 R361	Q14-I16 HydrophobicContact CB-CD1 3.76Å; Q14-I16 HydrophobicContact CB-CG1 3.84Å; Q14-I16 PolarHBondContact O-N 3.15Å; Q14-R359 HydrophobicContact CG-CB 4.26Å; Q14-R361 PolarHBondContact O-NH1 3.47Å
15	K	95.9	Very high	78.1	Confident	24 Å²	24	87.1 Å²	87.1	10%	0.104	48%	0.479	C	S	.	.			trans	57.4	32.8	-177.4	-50.5	-57.6	-168.1	-64.9	0	114	Q10 T11 R12 E349 R361	Q10-K15 VanDerWaalsContact CG-C 3.43Å; Q10-K15 HydrophobicContact CG-CB 4.37Å; Q10-K15 PolarHBondContact NE2-O 3.07Å; T11-K15 WeakPolarHBondContact O-CA 3.21Å; T11-K15 PolarHBondContact O-N 3.4Å; T11-K15 PolarHBondContact OG1-N 3.47Å; R12-K15 WeakPolarHBondContact O-CD 3.35Å; R12-K15 WeakPolarHBondContact O-CE 3.18Å; R12-K15 PolarHBondContact O-NZ 3.09Å; K15-E349 VanDerWaalsContact CE-OE1 3.28Å; K15-E349 WeakPolarHBondContact CE-OE1 3.19Å; K15-E349 WeakPolarHBondContact CE-OE2 3.34Å; K15-E349 IonicContact NZ-OE1 3.65Å; K15-E349 PolarHBondContact NZ-OE1 3.28Å; K15-E349 IonicContact NZ-OE2 2.69Å; K15-E349 PolarHBondContact NZ-OE2 2.86Å; K15-R361 HydrophobicContact CB-CB 4.46Å; K15-R361 HydrophobicContact CG-CB 4.15Å; K15-R361 HydrophobicContact CG-CG 4.49Å; K15-R361 WeakPolarHBondContact CG-O 3.38Å; K15-R361 PolarHBondContact NZ-O 2.84Å
16	I	92.8	Very high	77.2	Confident	71 Å²	71	85.1 Å²	85.1	36%	0.364	47%	0.469	S	S	.	.			trans	-91.5	133.8	177.8	-61.3	173.2	0	0	0	110.1	Q10 T11 Q14 I18	Q10-I16 CarbonylContact C-O 3.52Å; Q10-I16 WeakPolarHBondContact CA-O 3.19Å; T11-I16 HydrophobicContact CG2-CB 4.49Å; T11-I16 PolarHBondContact N-O 3.07Å; T11-I16 PolarHBondContact OG1-N 2.89Å; T11-I16 PolarHBondContact OG1-O 2.95Å; Q14-I16 HydrophobicContact CB-CD1 3.76Å; Q14-I16 HydrophobicContact CB-CG1 3.84Å; Q14-I16 PolarHBondContact O-N 3.15Å; I16-I18 HydrophobicContact CG2-CG2 4.24Å
17	W	91.9	Very high	75.8	Confident	157 Å²	157	88 Å²	88	60%	0.595	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	123.6	173.2	-67.9	99.4	0	0	0	111	L8 Q10	L8-W17 HydrophobicContact CB-CE3 3.88Å; L8-W17 HydrophobicContact CB-CZ3 4.49Å; L8-W17 HydrophobicContact CD1-CB 4.47Å; Q10-W17 HydrophobicContact CB-CD2 4.16Å; Q10-W17 HydrophobicContact CB-CE3 4Å; Q10-W17 HydrophobicContact CB-CH2 4.25Å; Q10-W17 HydrophobicContact CB-CZ2 4.39Å; Q10-W17 HydrophobicContact CB-CZ3 4.06Å; Q10-W17 HydrophobicContact CG-CD2 4.38Å
18	I	90.6	Very high	73.4	Confident	58 Å²	58	90.1 Å²	90.1	30%	0.297	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	153.5	177.5	61.6	169.1	0	0	0	110.1	L8 T9 T11 I16 H20	L8-I18 CarbonylContact C-O 3.55Å; L8-I18 WeakPolarHBondContact CA-O 3.39Å; T9-I18 HydrophobicContact CG2-CD1 4.31Å; T9-I18 HydrophobicContact CG2-CG1 3.83Å; T9-I18 PolarHBondContact N-O 3Å; T9-I18 WeakPolarHBondContact O-CG1 3.42Å; T9-I18 PolarHBondContact O-N 2.75Å; T9-I18 VanDerWaalsContact O-O 3.1Å; T11-I18 HydrophobicContact CG2-CD1 3.9Å; T11-I18 HydrophobicContact CG2-CG1 4.21Å; T11-I18 HydrophobicContact CG2-CG2 4.06Å; I16-I18 HydrophobicContact CG2-CG2 4.24Å; I18-H20 PolarHBondContact O-N 3.24Å
19	P	88.9	Confident	70.8	Confident	87 Å²	87	95.3 Å²	95.3	57%	0.565	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	132.6	173.2	-23.2	34	0	0	0	111.6	L8 S21	L8-P19 HydrophobicContact CD2-CG 4.49Å; P19-S21 PolarHBondContact O-N 2.84Å
20	H	76.3	Confident	68.2	Low	91 Å²	91	103.3 Å²	103.3	42%	0.421	52%	0.516	S	S	.	.			trans	-68.1	100	176.5	-172.2	-88.4	0	0	0	109.1	E7 T9 I18 S22	E7-H20 HydrophobicContact CB-CB 3.97Å; E7-H20 HydrophobicContact CG-CB 4.1Å; E7-H20 WeakPolarHBondContact O-CB 3.33Å; E7-H20 PolarHBondContact O-N 2.87Å; T9-H20 HydrophobicContact CG2-CB 4.46Å; I18-H20 PolarHBondContact O-N 3.24Å; H20-S22 PolarHBondContact O-N 2.87Å
21	S	65.3	Low	65.5	Low	58 Å²	58	110.3 Å²	110.3	41%	0.406	54%	0.539	S	S	.	.			trans	-80.7	109.6	176.8	59.5	0	0	0	0	109.9	P19 S23	P19-S21 PolarHBondContact O-N 2.84Å; S21-S23 PolarHBondContact O-N 3.39Å
22	S	46.4	Very low	62.7	Low	119 Å²	119	110.9 Å²	110.9	83%	0.832	55%	0.553	S	S	*	*	S	Bend	trans	-71.6	15.7	168.8	46.7	0	0	0	0	113.8	H20	H20-S22 PolarHBondContact O-N 2.87Å
23	S	43.6	Very low	60.3	Low	43 Å²	43	109 Å²	109	30%	0.301	57%	0.565	S	S	.	*	S	Bend	trans	-152	123.2	172.6	48.2	0	0	0	0	111	S21 S25	S21-S23 PolarHBondContact O-N 3.39Å; S23-S25 PolarHBondContact O-N 2.86Å
24	S	42.6	Very low	57.7	Low	127 Å²	127	111.7 Å²	111.7	89%	0.888	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	30.8	-178.9	32.7	0	0	0	0	114.9
25	S	41.3	Very low	55.1	Low	75 Å²	75	113.9 Å²	113.9	52%	0.524	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-139.1	-6.5	-174.5	65.5	0	0	0	0	116.3	S23	S23-S25 PolarHBondContact O-N 2.86Å
26	M	38.6	Very low	52.4	Low	140 Å²	140	117.5 Å²	117.5	69%	0.69	63%	0.63	S	S	*	*	S	Bend	trans	-97.5	-16.9	-175.8	-89.5	-167.1	-99.1	0	0	116.1
27	L	41.5	Very low	50.2	Low	120 Å²	120	121.9 Å²	121.9	63%	0.628	65%	0.649	S	S	*	*	S	Bend	trans	-94.7	-16	177.9	-79.1	157.7	0	0	0	113.9
28	Q	36.6	Very low	48	Very low	185 Å²	185	122 Å²	122	86%	0.864	65%	0.654	S	S	*	*	S	Bend	trans	-93.3	-9.4	174.5	-80.2	-177.2	-13.8	0	0	114.1	R30	Q28-R30 PolarHBondContact O-N 2.91Å
29	R	35.4	Very low	46.4	Very low	207 Å²	207	124.4 Å²	124.4	78%	0.781	67%	0.671	S	S	*	*	S	Bend	trans	-82.1	108.5	164.2	-90.2	-179.6	167.3	-177.6	-2.8	107.9	R31	R29-R31 PolarHBondContact O-N 3.32Å
30	R	38.9	Very low	45.5	Very low	227 Å²	227	126.7 Å²	126.7	86%	0.857	68%	0.678	S	S	*	*			trans	-39.7	116.3	150.9	-85.6	-176.4	173.3	-177.5	-0.8	106.2	Q28 G32	Q28-R30 PolarHBondContact O-N 2.91Å; R30-G32 PolarHBondContact O-N 3.04Å
31	R	35	Very low	46.1	Very low	227 Å²	227	123.1 Å²	123.1	86%	0.857	66%	0.664	S	S	*	*			trans	-50.6	117	170.3	-79.9	-175.2	177.8	-173.5	0.1	106.3	R29 S33	R29-R31 PolarHBondContact O-N 3.32Å; R31-S33 PolarHBondContact O-N 2.74Å; R31-S33 VanDerWaalsContact O-N 3.14Å
32	G	34.7	Very low	47.6	Very low	52 Å²	52	121.8 Å²	121.8	54%	0.536	65%	0.654	S	S	.	*			trans	-54	121.9	174.3	0	0	0	0	0	109.2	R30 S34	R30-G32 PolarHBondContact O-N 3.04Å; G32-S34 VanDerWaalsContact C-N 3.32Å; G32-S34 WeakPolarHBondContact O-CB 3.26Å; G32-S34 PolarHBondContact O-N 2.9Å; G32-S34 PolarHBondContact O-OG 2.98Å
33	S	45.1	Very low	50	Low	124 Å²	124	116.2 Å²	116.2	87%	0.867	62%	0.615	S	S	*	*	S	Bend	trans	34.8	50.1	142.7	63.3	0	0	0	0	117.5	R31	R31-S33 PolarHBondContact O-N 2.74Å; R31-S33 VanDerWaalsContact O-N 3.14Å
34	S	38.2	Very low	52.6	Low	98 Å²	98	114.2 Å²	114.2	69%	0.685	60%	0.601	S	S	*	*			trans	-140.2	12.6	-179.8	50.1	0	0	0	0	115	G32	G32-S34 VanDerWaalsContact C-N 3.32Å; G32-S34 WeakPolarHBondContact O-CB 3.26Å; G32-S34 PolarHBondContact O-N 2.9Å; G32-S34 PolarHBondContact O-OG 2.98Å
35	V	37.7	Very low	55.3	Low	101 Å²	101	108.2 Å²	108.2	61%	0.612	56%	0.559	S	S	*	*	S	Bend	trans	-117.5	130.3	164.8	-173.9	0	0	0	0	107	Q37	V35-Q37 PolarHBondContact O-N 3.29Å
36	P	38.3	Very low	58	Low	101 Å²	101	104.6 Å²	104.6	66%	0.656	53%	0.534	S	S	*	.			trans	-54	116.4	175.4	-19.6	29.5	0	0	0	109.2	F38	P36-F38 HydrophobicContact CB-CD2 4.5Å; P36-F38 PolarHBondContact O-N 2.62Å
37	Q	48.4	Very low	60.9	Low	162 Å²	162	98 Å²	98	76%	0.757	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	3	-172.6	-81.2	173.3	-28.7	0	0	114.6	V35 T39 S41	V35-Q37 PolarHBondContact O-N 3.29Å; Q37-T39 VanDerWaalsContact C-N 3.33Å; Q37-T39 PolarHBondContact O-N 3.14Å; Q37-S41 PolarHBondContact O-N 3.13Å; Q37-S41 PolarHBondContact O-OG 3.48Å; Q37-S41 VanDerWaalsContact O-OG 3.09Å
38	F	44.7	Very low	63.6	Low	161 Å²	161	92.2 Å²	92.2	71%	0.706	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-17.2	-172.8	-71.4	-73.7	0	0	0	114.8	P36	P36-F38 HydrophobicContact CB-CD2 4.5Å; P36-F38 PolarHBondContact O-N 2.62Å
39	T	56	Low	66.4	Low	107 Å²	107	83.4 Å²	83.4	66%	0.656	43%	0.43	S	S	*	.	S	Bend	trans	-74.2	-35.6	-179.6	50.6	0	0	0	0	112.3	Q37 K153	Q37-T39 VanDerWaalsContact C-N 3.33Å; Q37-T39 PolarHBondContact O-N 3.14Å; T39-K153 PolarHBondContact O-NZ 2.85Å
40	N	71.8	Confident	69.2	Low	135 Å²	135	74 Å²	74	72%	0.722	40%	0.395	S	S	*	.	S	Bend	trans	-119.1	25.6	-177.2	-69.3	-4	0	0	0	113.5
41	S	88.7	Confident	71.8	Confident	16 Å²	16	63.6 Å²	63.6	11%	0.112	36%	0.357	C	S	.	.			trans	-56.4	133.4	174.7	-61	0	0	0	0	111.1	Q37 G151	Q37-S41 PolarHBondContact O-N 3.13Å; Q37-S41 PolarHBondContact O-OG 3.48Å; Q37-S41 VanDerWaalsContact O-OG 3.09Å; S41-G151 WeakPolarHBondContact CB-O 3.38Å; S41-G151 PolarHBondContact OG-O 3.42Å
42	P	95.7	Very high	74.3	Confident	30 Å²	30	53.3 Å²	53.3	20%	0.195	32%	0.32	C	S	.	.			trans	-57.2	152.9	174	-23.2	32.6	0	0	0	112.4	L120 H126 Y152 K153	P42-L120 HydrophobicContact CB-CB 4.12Å; P42-L120 HydrophobicContact CB-CD1 4.1Å; P42-L120 HydrophobicContact CB-CD2 3.96Å; P42-L120 HydrophobicContact CB-CG 4.28Å; P42-L120 HydrophobicContact CG-CB 4.45Å; P42-H126 WeakPolarHBondContact CA-O 3.47Å; P42-Y152 HydrophobicContact CB-CD1 4.12Å; P42-Y152 HydrophobicContact CB-CE1 4.41Å; P42-Y152 HydrophobicContact CG-CD1 4.33Å; P42-Y152 HydrophobicContact CG-CE1 4.33Å; P42-Y152 WeakPolarHBondContact O-CA 3.36Å; P42-K153 PolarHBondContact O-N 2.86Å
43	T	97.5	Very high	76.9	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.018	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.3	-175.4	-61.2	0	0	0	0	111.6	M45 H126 V127 A128 K153 F155	T43-M45 HydrophobicContact CG2-CG 4.29Å; T43-H126 PolarHBondContact N-O 3.37Å; T43-V127 CarbonylContact O-C 3.59Å; T43-V127 VanDerWaalsContact O-CA 3.28Å; T43-V127 WeakPolarHBondContact O-CA 3.33Å; T43-A128 PolarHBondContact O-N 3.31Å; T43-K153 WeakPolarHBondContact CA-O 3.31Å; T43-K153 HydrophobicContact CG2-CB 4.44Å; T43-F155 HydrophobicContact CG2-CB 4.33Å
44	M	98.4	Very high	78.9	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.1	166	-64.9	175.6	65.8	0	0	109.5	I46 L113 V116 L120 A128 I143 F146 A147 Y152 K153 V154 F155	M44-I46 HydrophobicContact CB-CD1 3.89Å; M44-I46 HydrophobicContact CE-CD1 4.1Å; M44-L113 HydrophobicContact CE-CD2 3.56Å; M44-V116 HydrophobicContact CE-CG1 4Å; M44-V116 HydrophobicContact CG-CG1 4.1Å; M44-V116 HydrophobicContact SD-CG1 4.16Å; M44-L120 HydrophobicContact CG-CD1 3.98Å; M44-A128 CarbonylContact C-O 3.27Å; M44-A128 WeakPolarHBondContact CA-O 3.42Å; M44-I143 HydrophobicContact CE-CG2 4.07Å; M44-F146 HydrophobicContact CE-CD1 3.94Å; M44-F146 HydrophobicContact CE-CE1 3.99Å; M44-F146 HydrophobicContact SD-CD1 3.98Å; M44-F146 HydrophobicContact SD-CE1 3.95Å; M44-A147 HydrophobicContact SD-CB 3.91Å; M44-Y152 HydrophobicContact CG-CD2 4.31Å; M44-Y152 HydrophobicContact SD-CD2 3.7Å; M44-Y152 HydrophobicContact SD-CG 4.33Å; M44-K153 PolarHBondContact N-O 2.68Å; M44-V154 WeakPolarHBondContact O-CA 3.47Å; M44-F155 PolarHBondContact O-N 3.24Å
45	M	98.5	Very high	81.4	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.6	173.1	-67.6	179.8	-178.5	0	0	109.5	T43 L62 L66 V127 A128 V129 F130 F155 I157 V236 T240	T43-M45 HydrophobicContact CG2-CG 4.29Å; M45-L62 HydrophobicContact SD-CD2 3.53Å; M45-L62 VanDerWaalsContact SD-CD2 3.53Å; M45-L62 HydrophobicContact SD-CG 4.29Å; M45-L66 HydrophobicContact CE-CD1 3.89Å; M45-L66 HydrophobicContact SD-CD1 4.12Å; M45-V127 HydrophobicContact CE-CG1 3.59Å; M45-V127 HydrophobicContact CE-CG2 4.34Å; M45-V127 HydrophobicContact CG-CG1 3.83Å; M45-V127 HydrophobicContact SD-CG1 3.55Å; M45-V127 VanDerWaalsContact SD-CG1 3.55Å; M45-A128 PolarHBondContact N-O 3Å; M45-V129 HydrophobicContact CB-CG2 4.21Å; M45-V129 CarbonylContact O-C 3.56Å; M45-V129 WeakPolarHBondContact O-CA 3.42Å; M45-V129 HydrophobicContact SD-CG2 4.33Å; M45-F130 PolarHBondContact O-N 3.49Å; M45-F155 CarbonylContact C-O 3.47Å; M45-F155 VanDerWaalsContact CA-O 3.28Å; M45-F155 WeakPolarHBondContact CA-O 2.95Å; M45-I157 HydrophobicContact CB-CD1 4.25Å; M45-I157 HydrophobicContact SD-CD1 4.4Å; M45-V236 HydrophobicContact CE-CG1 3.77Å; M45-T240 HydrophobicContact CE-CG2 4.17Å; M45-T240 WeakPolarHBondContact CE-OG1 3.42Å; M45-T240 HydrophobicContact SD-CG2 4.24Å
46	I	98.6	Very high	83.9	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	112.1	-170.3	-49.3	-56.4	0	0	0	109.5	M44 F130 N134 I143 V154 F155 F156 I157	M44-I46 HydrophobicContact CB-CD1 3.89Å; M44-I46 HydrophobicContact CE-CD1 4.1Å; I46-F130 HydrophobicContact CD1-CB 3.64Å; I46-F130 HydrophobicContact CD1-CD1 4.49Å; I46-F130 HydrophobicContact CD1-CG 4.29Å; I46-N134 HydrophobicContact CG2-CB 4.34Å; I46-N134 WeakPolarHBondContact CG2-ND2 3.42Å; I46-I143 HydrophobicContact CD1-CG2 3.57Å; I46-I143 HydrophobicContact CG1-CG2 3.91Å; I46-I143 HydrophobicContact CG2-CD1 4Å; I46-V154 HydrophobicContact CG1-CG1 3.71Å; I46-F155 PolarHBondContact N-O 2.9Å; I46-F156 HydrophobicContact CB-CD1 3.56Å; I46-F156 HydrophobicContact CB-CE1 3.82Å; I46-F156 HydrophobicContact CB-CG 4.33Å; I46-F156 HydrophobicContact CG1-CD1 4.24Å; I46-F156 HydrophobicContact CG1-CE1 4.11Å; I46-F156 HydrophobicContact CG2-CD1 3.74Å; I46-F156 HydrophobicContact CG2-CE1 3.77Å; I46-F156 WeakPolarHBondContact O-CA 3.28Å; I46-I157 PolarHBondContact O-N 3.16Å
47	M	98.4	Very high	86.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	137.4	175.9	-56	-53.1	-61.2	0	0	110.3	K55 I58 S59 V129 F130 D131 A132 N134 I157	M47-K55 HydrophobicContact CB-CB 4.32Å; M47-K55 HydrophobicContact CB-CD 4.04Å; M47-K55 HydrophobicContact CB-CG 4.41Å; M47-K55 HydrophobicContact CE-CB 4.12Å; M47-K55 HydrophobicContact CE-CG 4.36Å; M47-I58 HydrophobicContact CE-CB 3.91Å; M47-I58 HydrophobicContact CE-CD1 4.49Å; M47-I58 HydrophobicContact CE-CG2 3.72Å; M47-S59 VanDerWaalsContact CG-OG 3.24Å; M47-S59 WeakPolarHBondContact CG-OG 3.16Å; M47-V129 HydrophobicContact CG-CG1 4.16Å; M47-V129 HydrophobicContact SD-CG1 4.19Å; M47-F130 PolarHBondContact N-O 3.08Å; M47-F130 VanDerWaalsContact N-O 3.12Å; M47-D131 HydrophobicContact CG-CB 4.29Å; M47-A132 VanDerWaalsContact O-O 3.13Å; M47-N134 WeakPolarHBondContact O-CB 3.47Å; M47-N134 PolarHBondContact O-ND2 3.31Å; M47-I157 CarbonylContact C-O 3.51Å; M47-I157 WeakPolarHBondContact CA-O 3.34Å; M47-I157 HydrophobicContact CE-CB 4.04Å; M47-I157 HydrophobicContact CE-CG2 3.76Å; M47-I157 HydrophobicContact SD-CB 3.87Å; M47-I157 HydrophobicContact SD-CD1 4.07Å; M47-I157 HydrophobicContact SD-CG2 4.19Å
48	V	98.3	Very high	88.4	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	141.9	177.8	-175.8	0	0	0	0	109.6	T133 N134 F156 I157 E158 S159	V48-T133 CarbonylContact C-O 3.59Å; V48-T133 WeakPolarHBondContact CA-O 3.32Å; V48-N134 HydrophobicContact CG2-CB 4.25Å; V48-F156 HydrophobicContact CG2-CB 4.38Å; V48-F156 HydrophobicContact CG2-CD1 3.79Å; V48-I157 PolarHBondContact N-O 3.46Å; V48-E158 HydrophobicContact CB-CB 3.92Å; V48-E158 HydrophobicContact CB-CG 3.94Å; V48-E158 HydrophobicContact CG1-CB 4.34Å; V48-E158 HydrophobicContact CG1-CG 3.89Å; V48-E158 WeakPolarHBondContact CG1-OE1 3.48Å; V48-E158 WeakPolarHBondContact O-CA 3.37Å; V48-S159 PolarHBondContact O-N 3.2Å
49	G	96.3	Very high	90.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	136.3	167.8	171.1	0	0	0	0	0	113.8	K55 T133	G49-K55 WeakPolarHBondContact O-CE 3.48Å; G49-K55 PolarHBondContact O-NZ 2.86Å; G49-T133 PolarHBondContact N-O 2.74Å; G49-T133 WeakPolarHBondContact O-CA 3.4Å
50	L	94.8	Very high	92.5	Very high	10 Å²	10	18.4 Å²	18.4	5%	0.052	11%	0.106	C	C	.	.			trans	-63.5	159.7	-178.6	-64.2	173.7	0	0	0	112.8	R53 K55 T135 E201 Y204	L50-R53 HydrophobicContact CB-CG 3.92Å; L50-R53 WeakPolarHBondContact O-CB 3.13Å; L50-R53 WeakPolarHBondContact O-CG 3.28Å; L50-K55 PolarHBondContact O-NZ 3.17Å; L50-T135 HydrophobicContact CD2-CG2 4.27Å; L50-E201 HydrophobicContact CD1-CG 3.64Å; L50-E201 HydrophobicContact CD2-CG 3.98Å; L50-E201 HydrophobicContact CG-CG 4.47Å; L50-Y204 HydrophobicContact CD1-CD1 3.97Å; L50-Y204 HydrophobicContact CD1-CE1 4.25Å; L50-Y204 HydrophobicContact CD2-CD1 3.88Å; L50-Y204 HydrophobicContact CD2-CG 4.02Å; L50-Y204 HydrophobicContact CG-CD1 3.76Å; L50-Y204 HydrophobicContact CG-CE1 4Å; L50-Y204 HydrophobicContact CG-CG 4.34Å
51	P	91.6	Very high	93.5	Very high	8 Å²	8	12.5 Å²	12.5	5%	0.052	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	155.5	171.1	-21.2	32.5	0	0	0	112.8	R53 T133 F193 I197 Y200	P51-R53 PolarHBondContact O-N 2.8Å; P51-R53 VanDerWaalsContact O-N 3.17Å; P51-R53 PolarHBondContact O-NH1 3.4Å; P51-R53 VanDerWaalsContact O-NH1 3.13Å; P51-T133 HydrophobicContact CG-CG2 4.21Å; P51-F193 HydrophobicContact CB-CE1 3.68Å; P51-F193 HydrophobicContact CB-CZ 3.68Å; P51-I197 HydrophobicContact CB-CG1 3.89Å; P51-I197 HydrophobicContact CG-CG1 4.24Å; P51-Y200 HydrophobicContact CG-CD2 3.66Å; P51-Y200 HydrophobicContact CG-CE2 4.06Å; P51-Y200 HydrophobicContact CG-CG 4.29Å
52	A	87.5	Confident	93.8	Very high	11 Å²	11	11.7 Å²	11.7	9%	0.091	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	21.6	-176.6	0	0	0	0	0	116.4	I167 N170 I171 F193 I197	A52-I167 HydrophobicContact CB-CG2 4.27Å; A52-N170 HydrophobicContact CB-CB 4.32Å; A52-N170 PolarHBondContact O-ND2 3.35Å; A52-I171 HydrophobicContact CB-CD1 4.31Å; A52-I171 HydrophobicContact CB-CG1 3.67Å; A52-F193 HydrophobicContact CB-CD1 4.42Å; A52-F193 HydrophobicContact CB-CE1 3.65Å; A52-F193 HydrophobicContact CB-CZ 4.45Å; A52-I197 HydrophobicContact CB-CD1 4.32Å
53	R	89.8	Confident	93.9	Very high	15 Å²	15	10.9 Å²	10.9	6%	0.057	6%	0.063	C	C	.	.	S	Bend	trans	-97.4	26.7	174.2	-55.1	-58.1	-172.6	-97.2	9.5	114	L50 P51 K55 S159 C161	L50-R53 HydrophobicContact CB-CG 3.92Å; L50-R53 WeakPolarHBondContact O-CB 3.13Å; L50-R53 WeakPolarHBondContact O-CG 3.28Å; P51-R53 PolarHBondContact O-N 2.8Å; P51-R53 VanDerWaalsContact O-N 3.17Å; P51-R53 PolarHBondContact O-NH1 3.4Å; P51-R53 VanDerWaalsContact O-NH1 3.13Å; R53-K55 VanDerWaalsContact C-N 3.28Å; R53-K55 PolarHBondContact O-N 2.7Å; R53-K55 VanDerWaalsContact O-N 3.15Å; R53-S159 WeakPolarHBondContact O-CB 3.47Å; R53-S159 PolarHBondContact O-OG 3.19Å; R53-C161 WeakPolarHBondContact CD-O 3.21Å; R53-C161 PolarHBondContact NE-O 3.44Å; R53-C161 PolarHBondContact NH2-O 3.14Å
54	G	87.5	Confident	93.8	Very high	22 Å²	22	11.2 Å²	11.2	23%	0.227	6%	0.064	C	C	.	.	S	Bend	trans	70.3	8.7	175.9	0	0	0	0	0	117.2	T56 Y57 I58	G54-T56 PolarHBondContact O-N 2.94Å; G54-Y57 WeakPolarHBondContact O-CB 3.49Å; G54-Y57 PolarHBondContact O-N 3.08Å; G54-Y57 VanDerWaalsContact O-N 3.16Å; G54-I58 WeakPolarHBondContact O-CG1 3.47Å; G54-I58 PolarHBondContact O-N 2.97Å
55	K	91.8	Very high	93.7	Very high	16 Å²	16	11.2 Å²	11.2	7%	0.07	6%	0.064	C	C	.	.	H	α-helix	trans	-54.6	-48.7	-179.2	-65.4	-172.5	-57.7	-74.1	0	113.9	M47 G49 L50 R53 Y57 I58 S59 A132	M47-K55 HydrophobicContact CB-CB 4.32Å; M47-K55 HydrophobicContact CB-CD 4.04Å; M47-K55 HydrophobicContact CB-CG 4.41Å; M47-K55 HydrophobicContact CE-CB 4.12Å; M47-K55 HydrophobicContact CE-CG 4.36Å; G49-K55 WeakPolarHBondContact O-CE 3.48Å; G49-K55 PolarHBondContact O-NZ 2.86Å; L50-K55 PolarHBondContact O-NZ 3.17Å; R53-K55 VanDerWaalsContact C-N 3.28Å; R53-K55 PolarHBondContact O-N 2.7Å; R53-K55 VanDerWaalsContact O-N 3.15Å; K55-Y57 VanDerWaalsContact C-N 3.32Å; K55-Y57 PolarHBondContact O-N 3.1Å; K55-I58 PolarHBondContact O-N 3.46Å; K55-S59 WeakPolarHBondContact O-CB 3.27Å; K55-S59 PolarHBondContact O-N 3.26Å; K55-S59 PolarHBondContact O-OG 3.5Å; K55-A132 WeakPolarHBondContact CD-O 3.26Å; K55-A132 WeakPolarHBondContact CE-O 3.28Å
56	T	88.8	Confident	93.7	Very high	27 Å²	27	11.3 Å²	11.3	17%	0.166	7%	0.065	C	C	.	.	H	α-helix	trans	-66.7	-36.2	179.9	-49.3	0	0	0	0	111.6	G54 S59 T60 D131 Y430	G54-T56 PolarHBondContact O-N 2.94Å; T56-S59 PolarHBondContact O-N 3.4Å; T56-T60 WeakPolarHBondContact O-CB 3.35Å; T56-T60 PolarHBondContact O-N 2.81Å; T56-T60 PolarHBondContact O-OG1 2.56Å; T56-T60 VanDerWaalsContact O-OG1 3.09Å; T56-D131 WeakPolarHBondContact CA-OD2 3.3Å; T56-D131 WeakPolarHBondContact CB-OD2 3.04Å; T56-D131 WeakPolarHBondContact CG2-OD2 3.48Å; T56-D131 PolarHBondContact OG1-OD2 3.06Å; T56-Y430 HydrophobicContact CG2-CE1 3.65Å
57	Y	88.6	Confident	93.6	Very high	40 Å²	40	14.3 Å²	14.3	16%	0.157	8%	0.081	C	C	.	.	H	α-helix	trans	-59.1	-49.6	172.8	171.2	-91	0	0	0	111.2	G54 K55 T60 K61 H248 V249 A429	G54-Y57 WeakPolarHBondContact O-CB 3.49Å; G54-Y57 PolarHBondContact O-N 3.08Å; G54-Y57 VanDerWaalsContact O-N 3.16Å; K55-Y57 VanDerWaalsContact C-N 3.32Å; K55-Y57 PolarHBondContact O-N 3.1Å; Y57-T60 PolarHBondContact O-N 3.16Å; Y57-K61 HydrophobicContact CE1-CD 3.91Å; Y57-K61 HydrophobicContact CE1-CG 4.49Å; Y57-K61 HydrophobicContact CE2-CD 4.25Å; Y57-K61 HydrophobicContact CE2-CG 4.49Å; Y57-K61 WeakPolarHBondContact O-CB 3.39Å; Y57-K61 PolarHBondContact O-N 3.42Å; Y57-K61 WeakPolarHBondContact OH-CE 3.41Å; Y57-K61 PolarHBondContact OH-NZ 3.26Å; Y57-H248 PolarHBondContact OH-O 2.89Å; Y57-V249 HydrophobicContact CD1-CG1 4.39Å; Y57-V249 HydrophobicContact CE1-CG1 3.87Å; Y57-A429 WeakPolarHBondContact CD2-O 3.33Å
58	I	92.7	Very high	93.5	Very high	12 Å²	12	15.1 Å²	15.1	6%	0.062	8%	0.084	C	C	.	.	H	α-helix	trans	-59.8	-48.9	177.2	-68.5	165.7	0	0	0	110.4	M47 G54 K55 T60 K61 L62 I157 I220 L244	M47-I58 HydrophobicContact CE-CB 3.91Å; M47-I58 HydrophobicContact CE-CD1 4.49Å; M47-I58 HydrophobicContact CE-CG2 3.72Å; G54-I58 WeakPolarHBondContact O-CG1 3.47Å; G54-I58 PolarHBondContact O-N 2.97Å; K55-I58 PolarHBondContact O-N 3.46Å; I58-T60 PolarHBondContact O-N 2.9Å; I58-K61 PolarHBondContact O-N 3.17Å; I58-L62 WeakPolarHBondContact O-CB 3.47Å; I58-L62 PolarHBondContact O-N 2.69Å; I58-I157 HydrophobicContact CG2-CG2 4.23Å; I58-I220 HydrophobicContact CD1-CD1 3.94Å; I58-L244 HydrophobicContact CG2-CD2 3.46Å; I58-L244 VanDerWaalsContact CG2-CD2 3.46Å
59	S	94.5	Very high	93.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-54.7	-51.1	178.5	-61.9	0	0	0	0	111.7	M47 K55 T56 L62 T63 V129	M47-S59 VanDerWaalsContact CG-OG 3.24Å; M47-S59 WeakPolarHBondContact CG-OG 3.16Å; K55-S59 WeakPolarHBondContact O-CB 3.27Å; K55-S59 PolarHBondContact O-N 3.26Å; K55-S59 PolarHBondContact O-OG 3.5Å; T56-S59 PolarHBondContact O-N 3.4Å; S59-L62 PolarHBondContact O-N 2.88Å; S59-T63 VanDerWaalsContact O-CB 3.32Å; S59-T63 WeakPolarHBondContact O-CB 3.45Å; S59-T63 PolarHBondContact O-N 3.08Å; S59-T63 PolarHBondContact O-OG1 3.29Å; S59-V129 WeakPolarHBondContact OG-CG1 3.27Å
60	T	92.3	Very high	93.3	Very high	41 Å²	41	17.9 Å²	17.9	25%	0.252	11%	0.11	S	C	.	.	H	α-helix	trans	-63.9	-48.7	-179.3	-61.9	0	0	0	0	111.6	T56 Y57 I58 L62 T63 R64	T56-T60 WeakPolarHBondContact O-CB 3.35Å; T56-T60 PolarHBondContact O-N 2.81Å; T56-T60 PolarHBondContact O-OG1 2.56Å; T56-T60 VanDerWaalsContact O-OG1 3.09Å; Y57-T60 PolarHBondContact O-N 3.16Å; I58-T60 PolarHBondContact O-N 2.9Å; T60-L62 PolarHBondContact O-N 3.36Å; T60-T63 PolarHBondContact O-N 2.8Å; T60-R64 WeakPolarHBondContact O-CB 3.22Å; T60-R64 PolarHBondContact O-N 2.87Å
61	K	93.4	Very high	93.3	Very high	10 Å²	10	18.6 Å²	18.6	4%	0.043	11%	0.114	C	C	.	.	H	α-helix	trans	-63.3	-39.9	178.9	-94.6	-154.9	171.4	-174.5	0	112.8	Y57 I58 Y65 Y243 I247 E383	Y57-K61 HydrophobicContact CE1-CD 3.91Å; Y57-K61 HydrophobicContact CE1-CG 4.49Å; Y57-K61 HydrophobicContact CE2-CD 4.25Å; Y57-K61 HydrophobicContact CE2-CG 4.49Å; Y57-K61 WeakPolarHBondContact O-CB 3.39Å; Y57-K61 PolarHBondContact O-N 3.42Å; Y57-K61 WeakPolarHBondContact OH-CE 3.41Å; Y57-K61 PolarHBondContact OH-NZ 3.26Å; I58-K61 PolarHBondContact O-N 3.17Å; K61-Y65 WeakPolarHBondContact O-CB 3.35Å; K61-Y65 PolarHBondContact O-N 2.96Å; K61-Y243 HydrophobicContact CB-CE1 4.34Å; K61-Y243 PolarHBondContact O-OH 3.28Å; K61-I247 HydrophobicContact CD-CG2 4.46Å; K61-E383 IonicContact NZ-OE1 2.66Å; K61-E383 PolarHBondContact NZ-OE1 3.42Å; K61-E383 IonicContact NZ-OE2 3.4Å; K61-E383 PolarHBondContact NZ-OE2 2.94Å
62	L	95.6	Very high	93.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-68.6	-45.5	179.9	178.7	60.1	0	0	0	110.9	M45 I58 S59 T60 R64 Y65 L66 I157 T240 Y243	M45-L62 HydrophobicContact SD-CD2 3.53Å; M45-L62 VanDerWaalsContact SD-CD2 3.53Å; M45-L62 HydrophobicContact SD-CG 4.29Å; I58-L62 WeakPolarHBondContact O-CB 3.47Å; I58-L62 PolarHBondContact O-N 2.69Å; S59-L62 PolarHBondContact O-N 2.88Å; T60-L62 PolarHBondContact O-N 3.36Å; L62-R64 VanDerWaalsContact C-N 3.33Å; L62-R64 PolarHBondContact O-N 3.32Å; L62-Y65 HydrophobicContact CD1-CD1 4.42Å; L62-Y65 PolarHBondContact O-N 2.94Å; L62-L66 HydrophobicContact CD1-CD1 3.91Å; L62-L66 HydrophobicContact CD1-CG 4.04Å; L62-L66 HydrophobicContact CG-CD1 3.92Å; L62-L66 HydrophobicContact CG-CG 4.44Å; L62-L66 WeakPolarHBondContact O-CB 3.48Å; L62-L66 WeakPolarHBondContact O-CG 3.48Å; L62-L66 PolarHBondContact O-N 2.87Å; L62-I157 HydrophobicContact CD2-CD1 3.6Å; L62-T240 HydrophobicContact CD1-CG2 3.84Å; L62-T240 HydrophobicContact CD2-CG2 3.71Å; L62-T240 HydrophobicContact CG-CG2 4.44Å; L62-Y243 HydrophobicContact CB-CE1 4.39Å; L62-Y243 HydrophobicContact CD1-CD1 3.83Å; L62-Y243 HydrophobicContact CD1-CE1 4.37Å
63	T	96.8	Very high	94	Very high	13 Å²	13	20.2 Å²	20.2	8%	0.08	12%	0.124	C	C	.	.	H	α-helix	trans	-59.5	-44.4	175.2	-67.3	0	0	0	0	111.9	S59 T60 Y65 L66 N67 T73 V75 V129	S59-T63 VanDerWaalsContact O-CB 3.32Å; S59-T63 WeakPolarHBondContact O-CB 3.45Å; S59-T63 PolarHBondContact O-N 3.08Å; S59-T63 PolarHBondContact O-OG1 3.29Å; T60-T63 PolarHBondContact O-N 2.8Å; T63-Y65 PolarHBondContact O-N 3.4Å; T63-L66 PolarHBondContact O-N 3.22Å; T63-N67 WeakPolarHBondContact CG2-ND2 3.11Å; T63-N67 WeakPolarHBondContact O-CB 3.2Å; T63-N67 PolarHBondContact O-N 3.48Å; T63-N67 PolarHBondContact O-ND2 3.38Å; T63-T73 HydrophobicContact CG2-CG2 3.89Å; T63-T73 WeakPolarHBondContact CG2-O 3.36Å; T63-T73 WeakPolarHBondContact OG1-CG2 3.47Å; T63-V75 HydrophobicContact CG2-CG2 4.1Å; T63-V75 WeakPolarHBondContact OG1-CG2 3.4Å; T63-V129 WeakPolarHBondContact OG1-CG2 3.37Å
64	R	96.1	Very high	94.4	Very high	10 Å²	10	23.9 Å²	23.9	4%	0.038	14%	0.14	C	C	.	.	H	α-helix	trans	-58.6	-47.6	175.5	-175.5	174.2	77.4	178.3	-1.4	112.3	T60 L62 W68 E383 Y403 F404 D406	T60-R64 WeakPolarHBondContact O-CB 3.22Å; T60-R64 PolarHBondContact O-N 2.87Å; L62-R64 VanDerWaalsContact C-N 3.33Å; L62-R64 PolarHBondContact O-N 3.32Å; R64-W68 VanDerWaalsContact O-CB 3.26Å; R64-W68 WeakPolarHBondContact O-CB 3.35Å; R64-W68 PolarHBondContact O-N 3.47Å; R64-E383 IonicContact NH2-OE1 3.83Å; R64-Y403 WeakPolarHBondContact CD-O 3.35Å; R64-Y403 WeakPolarHBondContact CG-O 3.19Å; R64-Y403 PolarHBondContact NE-O 3.23Å; R64-F404 PolarHBondContact NH1-O 3.2Å; R64-D406 HydrophobicContact CG-CB 4.06Å; R64-D406 WeakPolarHBondContact CG-OD1 3.38Å
65	Y	96.9	Very high	94.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.3	-50	177.2	165.2	-115.2	0	0	0	112.4	K61 L62 T63 N67 W68 I69 Y243 E376 M380 Y403	K61-Y65 WeakPolarHBondContact O-CB 3.35Å; K61-Y65 PolarHBondContact O-N 2.96Å; L62-Y65 HydrophobicContact CD1-CD1 4.42Å; L62-Y65 PolarHBondContact O-N 2.94Å; T63-Y65 PolarHBondContact O-N 3.4Å; Y65-N67 PolarHBondContact O-N 3.1Å; Y65-W68 PolarHBondContact O-N 2.81Å; Y65-I69 HydrophobicContact CD2-CG2 4.05Å; Y65-I69 HydrophobicContact CE1-CD1 4.22Å; Y65-I69 HydrophobicContact CE2-CD1 4.31Å; Y65-I69 HydrophobicContact CE2-CG2 3.59Å; Y65-I69 PolarHBondContact O-N 3.34Å; Y65-Y243 AromaticContact CD1-CD1 3.88Å; Y65-Y243 HydrophobicContact CD1-CD1 3.88Å; Y65-Y243 AromaticContact CD1-CD2 3.8Å; Y65-Y243 HydrophobicContact CD1-CD2 3.8Å; Y65-Y243 HydrophobicContact CD1-CE1 4.28Å; Y65-Y243 HydrophobicContact CD1-CE2 4.22Å; Y65-Y243 AromaticContact CD1-CG 3.57Å; Y65-Y243 HydrophobicContact CD1-CG 3.57Å; Y65-Y243 HydrophobicContact CD2-CD2 4.15Å; Y65-Y243 HydrophobicContact CD2-CE2 4.17Å; Y65-Y243 HydrophobicContact CE1-CD2 4.15Å; Y65-Y243 AromaticContact CE1-CG 3.91Å; Y65-Y243 HydrophobicContact CE1-CG 3.91Å; Y65-Y243 HydrophobicContact CE2-CD2 4.5Å; Y65-Y243 HydrophobicContact CG-CD1 4.32Å; Y65-Y243 AromaticContact CG-CD2 3.79Å; Y65-Y243 HydrophobicContact CG-CD2 3.79Å; Y65-Y243 HydrophobicContact CG-CE1 4.32Å; Y65-Y243 AromaticContact CG-CE2 3.79Å; Y65-Y243 HydrophobicContact CG-CE2 3.79Å; Y65-Y243 HydrophobicContact CG-CG 4.02Å; Y65-E376 HydrophobicContact CE2-CG 4.31Å; Y65-E376 PolarHBondContact OH-OE1 3.02Å; Y65-M380 HydrophobicContact CD2-CE 3.6Å; Y65-M380 HydrophobicContact CE2-CE 3.3Å; Y65-M380 HydrophobicContact CE2-SD 4.19Å; Y65-M380 HydrophobicContact CG-CE 4.44Å; Y65-Y403 HydrophobicContact CD2-CE2 4.36Å
66	L	96.9	Very high	95.2	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-62.9	-43.1	-178.8	-69.6	173.3	0	0	0	111.7	M45 L62 T63 I69 G70 T71 T73 V127	M45-L66 HydrophobicContact CE-CD1 3.89Å; M45-L66 HydrophobicContact SD-CD1 4.12Å; L62-L66 HydrophobicContact CD1-CD1 3.91Å; L62-L66 HydrophobicContact CD1-CG 4.04Å; L62-L66 HydrophobicContact CG-CD1 3.92Å; L62-L66 HydrophobicContact CG-CG 4.44Å; L62-L66 WeakPolarHBondContact O-CB 3.48Å; L62-L66 WeakPolarHBondContact O-CG 3.48Å; L62-L66 PolarHBondContact O-N 2.87Å; T63-L66 PolarHBondContact O-N 3.22Å; L66-I69 HydrophobicContact CD2-CD1 4.23Å; L66-I69 VanDerWaalsContact O-CG1 3.23Å; L66-I69 WeakPolarHBondContact O-CG1 3.44Å; L66-I69 PolarHBondContact O-N 2.88Å; L66-G70 PolarHBondContact O-N 3.35Å; L66-T71 CarbonylContact C-O 3.58Å; L66-T71 VanDerWaalsContact C-O 3.27Å; L66-T71 CarbonylContact O-C 3.55Å; L66-T71 WeakPolarHBondContact O-CA 3.33Å; L66-T71 WeakPolarHBondContact O-CB 3.39Å; L66-T71 PolarHBondContact O-N 3.37Å; L66-T73 HydrophobicContact CB-CG2 4.42Å; L66-T73 WeakPolarHBondContact CB-OG1 3.36Å; L66-T73 HydrophobicContact CD1-CG2 4.05Å; L66-V127 HydrophobicContact CD1-CG1 4.16Å
67	N	96.9	Very high	95.4	Very high	64 Å²	64	24.5 Å²	24.5	34%	0.342	14%	0.139	S	C	.	.	H	α-helix	trans	-62.4	-43.7	174.5	-79.5	-41	0	0	0	111.8	T63 Y65 I69 G70 T71 T73	T63-N67 WeakPolarHBondContact CG2-ND2 3.11Å; T63-N67 WeakPolarHBondContact O-CB 3.2Å; T63-N67 PolarHBondContact O-N 3.48Å; T63-N67 PolarHBondContact O-ND2 3.38Å; Y65-N67 PolarHBondContact O-N 3.1Å; N67-I69 VanDerWaalsContact C-N 3.34Å; N67-I69 PolarHBondContact O-N 3.5Å; N67-G70 PolarHBondContact O-N 3.47Å; N67-T71 PolarHBondContact N-O 3.33Å; N67-T71 PolarHBondContact OD1-O 2.9Å; N67-T73 PolarHBondContact ND2-O 3.08Å; N67-T73 PolarHBondContact OD1-N 3.39Å; N67-T73 PolarHBondContact OD1-O 3.11Å
68	W	97.4	Very high	95.7	Very high	16 Å²	16	23.4 Å²	23.4	6%	0.061	14%	0.136	C	C	.	.	H	α-helix	trans	-61.3	-39.9	-179.6	-176.8	83.2	0	0	0	112.2	R64 Y65 G70 V372 L375 E376 I379 C399 Y403	R64-W68 VanDerWaalsContact O-CB 3.26Å; R64-W68 WeakPolarHBondContact O-CB 3.35Å; R64-W68 PolarHBondContact O-N 3.47Å; Y65-W68 PolarHBondContact O-N 2.81Å; W68-G70 PolarHBondContact O-N 3.48Å; W68-V372 HydrophobicContact CD2-CG1 4.1Å; W68-V372 HydrophobicContact CE3-CG1 4.06Å; W68-V372 HydrophobicContact CH2-CB 4.49Å; W68-V372 HydrophobicContact CH2-CG1 4.12Å; W68-V372 WeakPolarHBondContact CH2-O 3.32Å; W68-V372 HydrophobicContact CZ2-CB 4.33Å; W68-V372 HydrophobicContact CZ2-CG1 4.18Å; W68-V372 HydrophobicContact CZ2-CG2 4.13Å; W68-V372 HydrophobicContact CZ3-CG1 4.05Å; W68-V372 WeakPolarHBondContact O-CG1 3.31Å; W68-L375 HydrophobicContact CH2-CB 3.82Å; W68-L375 HydrophobicContact CZ2-CB 4.23Å; W68-E376 HydrophobicContact CZ3-CB 4.28Å; W68-I379 HydrophobicContact CE3-CG1 4.43Å; W68-I379 HydrophobicContact CH2-CG1 3.55Å; W68-I379 HydrophobicContact CZ2-CG1 3.96Å; W68-I379 HydrophobicContact CZ3-CB 4.43Å; W68-I379 HydrophobicContact CZ3-CG1 3.82Å; W68-C399 HydrophobicContact CZ2-CB 4.41Å; W68-C399 PolarHBondContact NE1-O 3.45Å; W68-Y403 HydrophobicContact CB-CD2 4.04Å; W68-Y403 HydrophobicContact CD2-CD2 4.04Å; W68-Y403 HydrophobicContact CD2-CG 4.49Å; W68-Y403 HydrophobicContact CE3-CD2 4.33Å; W68-Y403 AromaticContact CG-CD2 3.91Å; W68-Y403 HydrophobicContact CG-CD2 3.91Å; W68-Y403 HydrophobicContact CG-CG 4.44Å
69	I	95.3	Very high	95.5	Very high	12 Å²	12	23.7 Å²	23.7	6%	0.062	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	4.5	174.8	66.8	172	0	0	0	114.1	Y65 L66 N67 Q373 E376	Y65-I69 HydrophobicContact CD2-CG2 4.05Å; Y65-I69 HydrophobicContact CE1-CD1 4.22Å; Y65-I69 HydrophobicContact CE2-CD1 4.31Å; Y65-I69 HydrophobicContact CE2-CG2 3.59Å; Y65-I69 PolarHBondContact O-N 3.34Å; L66-I69 HydrophobicContact CD2-CD1 4.23Å; L66-I69 VanDerWaalsContact O-CG1 3.23Å; L66-I69 WeakPolarHBondContact O-CG1 3.44Å; L66-I69 PolarHBondContact O-N 2.88Å; N67-I69 VanDerWaalsContact C-N 3.34Å; N67-I69 PolarHBondContact O-N 3.5Å; I69-Q373 PolarHBondContact O-NE2 3Å; I69-E376 HydrophobicContact CG2-CG 4.25Å
70	G	93.5	Very high	95.4	Very high	47 Å²	47	28.4 Å²	28.4	49%	0.485	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	21.8	177.3	0	0	0	0	0	115.4	L66 N67 W68 P72	L66-G70 PolarHBondContact O-N 3.35Å; N67-G70 PolarHBondContact O-N 3.47Å; W68-G70 PolarHBondContact O-N 3.48Å; G70-P72 VanDerWaalsContact O-CD 3.26Å; G70-P72 WeakPolarHBondContact O-CD 3.5Å
71	T	95.3	Very high	95.5	Very high	24 Å²	24	28.3 Å²	28.3	15%	0.147	16%	0.159	C	C	.	.			trans	-104.3	98.2	171.8	-57.2	0	0	0	0	110.5	L66 N67 T73 H126 V127	L66-T71 CarbonylContact C-O 3.58Å; L66-T71 VanDerWaalsContact C-O 3.27Å; L66-T71 CarbonylContact O-C 3.55Å; L66-T71 WeakPolarHBondContact O-CA 3.33Å; L66-T71 WeakPolarHBondContact O-CB 3.39Å; L66-T71 PolarHBondContact O-N 3.37Å; N67-T71 PolarHBondContact N-O 3.33Å; N67-T71 PolarHBondContact OD1-O 2.9Å; T71-T73 PolarHBondContact O-N 2.88Å; T71-T73 PolarHBondContact O-OG1 3.34Å; T71-H126 HydrophobicContact CG2-CB 4.13Å; T71-V127 HydrophobicContact CG2-CG2 3.83Å
72	P	96.3	Very high	95.5	Very high	47 Å²	47	28.4 Å²	28.4	31%	0.305	16%	0.159	S	C	.	.			trans	-47.2	111.1	176.6	-31	32.7	0	0	0	112.9	G70 Y119 H126 V127	G70-P72 VanDerWaalsContact O-CD 3.26Å; G70-P72 WeakPolarHBondContact O-CD 3.5Å; P72-Y119 PolarHBondContact O-OH 2.88Å; P72-H126 WeakPolarHBondContact CD-ND1 3.42Å; P72-H126 PolarHBondContact O-N 3.29Å; P72-V127 PolarHBondContact O-N 3Å
73	T	98	Very high	95.2	Very high	6 Å²	6	32.4 Å²	32.4	4%	0.037	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	137.7	-174.7	-55.7	0	0	0	0	111.2	T63 L66 N67 T71 Y119 V127 V129	T63-T73 HydrophobicContact CG2-CG2 3.89Å; T63-T73 WeakPolarHBondContact CG2-O 3.36Å; T63-T73 WeakPolarHBondContact OG1-CG2 3.47Å; L66-T73 HydrophobicContact CB-CG2 4.42Å; L66-T73 WeakPolarHBondContact CB-OG1 3.36Å; L66-T73 HydrophobicContact CD1-CG2 4.05Å; N67-T73 PolarHBondContact ND2-O 3.08Å; N67-T73 PolarHBondContact OD1-N 3.39Å; N67-T73 PolarHBondContact OD1-O 3.11Å; T71-T73 PolarHBondContact O-N 2.88Å; T71-T73 PolarHBondContact O-OG1 3.34Å; T73-Y119 WeakPolarHBondContact CA-OH 3.16Å; T73-Y119 PolarHBondContact N-OH 2.99Å; T73-Y119 VanDerWaalsContact N-OH 3.14Å; T73-V127 VanDerWaalsContact CA-O 3.26Å; T73-V127 WeakPolarHBondContact CA-O 3.38Å; T73-V127 HydrophobicContact CG2-CB 3.91Å; T73-V127 HydrophobicContact CG2-CG1 3.87Å; T73-V129 HydrophobicContact CG2-CG2 3.86Å
74	K	98	Very high	94.9	Very high	93 Å²	93	38.3 Å²	38.3	40%	0.404	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	140.1	176.6	-171.9	172.6	179.3	178.7	0	112	F76 Y119 V127 V129	K74-F76 HydrophobicContact CB-CE2 3.97Å; K74-F76 HydrophobicContact CB-CZ 4.34Å; K74-F76 HydrophobicContact CD-CE1 4.46Å; K74-F76 HydrophobicContact CD-CE2 4.35Å; K74-F76 HydrophobicContact CD-CZ 3.91Å; K74-F76 HydrophobicContact CG-CE2 4.07Å; K74-F76 HydrophobicContact CG-CZ 4.13Å; K74-Y119 HydrophobicContact CB-CD1 4.07Å; K74-Y119 HydrophobicContact CB-CD2 4.38Å; K74-Y119 HydrophobicContact CB-CE1 3.61Å; K74-Y119 HydrophobicContact CB-CE2 3.98Å; K74-Y119 HydrophobicContact CB-CG 4.43Å; K74-Y119 HydrophobicContact CD-CD2 3.96Å; K74-Y119 HydrophobicContact CD-CE2 4.11Å; K74-Y119 HydrophobicContact CD-CG 4.28Å; K74-V127 PolarHBondContact N-O 3.31Å; K74-V127 VanDerWaalsContact N-O 3.12Å; K74-V129 PolarHBondContact O-N 3.49Å
75	V	97.5	Very high	94.6	Very high	41 Å²	41	40.8 Å²	40.8	25%	0.248	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	135.7	173.5	-175.8	0	0	0	0	110.4	T63 V129 D131	T63-V75 HydrophobicContact CG2-CG2 4.1Å; T63-V75 WeakPolarHBondContact OG1-CG2 3.4Å; V75-V129 CarbonylContact C-O 3.53Å; V75-V129 WeakPolarHBondContact CA-O 3.31Å; V75-V129 HydrophobicContact CG2-CB 4.22Å; V75-D131 HydrophobicContact CG1-CB 3.95Å
76	F	97.6	Very high	94.3	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.022	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	94.6	172.2	-61.9	-95.8	0	0	0	108.4	K74 D115 V116 Y119 A128 V129 F130 D131	K74-F76 HydrophobicContact CB-CE2 3.97Å; K74-F76 HydrophobicContact CB-CZ 4.34Å; K74-F76 HydrophobicContact CD-CE1 4.46Å; K74-F76 HydrophobicContact CD-CE2 4.35Å; K74-F76 HydrophobicContact CD-CZ 3.91Å; K74-F76 HydrophobicContact CG-CE2 4.07Å; K74-F76 HydrophobicContact CG-CZ 4.13Å; F76-D115 HydrophobicContact CD1-CB 4.08Å; F76-D115 HydrophobicContact CE1-CB 3.74Å; F76-V116 HydrophobicContact CB-CG2 4.19Å; F76-V116 HydrophobicContact CD1-CG2 3.88Å; F76-V116 HydrophobicContact CD2-CG2 3.55Å; F76-V116 HydrophobicContact CE1-CG2 4.13Å; F76-V116 HydrophobicContact CE2-CG2 3.82Å; F76-V116 HydrophobicContact CG-CG2 3.59Å; F76-V116 HydrophobicContact CZ-CG2 4.1Å; F76-Y119 HydrophobicContact CE2-CD1 4.03Å; F76-Y119 HydrophobicContact CE2-CG 4.44Å; F76-Y119 AromaticContact CZ-CD1 3.99Å; F76-Y119 HydrophobicContact CZ-CD1 3.99Å; F76-Y119 AromaticContact CZ-CG 3.95Å; F76-Y119 HydrophobicContact CZ-CG 3.95Å; F76-A128 HydrophobicContact CD2-CB 4.08Å; F76-A128 HydrophobicContact CE2-CB 3.74Å; F76-V129 PolarHBondContact N-O 3.49Å; F76-F130 HydrophobicContact CB-CD2 4.47Å; F76-D131 PolarHBondContact O-N 3.31Å
77	N	94.9	Very high	93.6	Very high	31 Å²	31	47.9 Å²	47.9	17%	0.166	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	109.8	-175.7	-176.1	-74.7	0	0	0	111.1	G79 Q80 Y81 D131	N77-G79 PolarHBondContact O-N 3.48Å; N77-G79 VanDerWaalsContact O-N 3.11Å; N77-G79 WeakPolarHBondContact OD1-CA 3.19Å; N77-G79 PolarHBondContact OD1-N 3.46Å; N77-Q80 WeakPolarHBondContact O-CB 3.44Å; N77-Q80 PolarHBondContact O-N 2.92Å; N77-Q80 PolarHBondContact OD1-N 3.46Å; N77-Q80 VanDerWaalsContact OD1-N 3.16Å; N77-Y81 WeakPolarHBondContact O-CD2 3.17Å; N77-D131 PolarHBondContact ND2-OD2 3.41Å
78	L	93.3	Very high	92.9	Very high	18 Å²	18	46.4 Å²	46.4	9%	0.094	26%	0.262	C	S	.	.	H	α-helix	trans	-64.9	-20.4	-177.9	-92.7	64.9	0	0	0	113.4	Q80 R82 A109 A112 F130 D131 A132	L78-Q80 VanDerWaalsContact C-N 3.27Å; L78-Q80 PolarHBondContact O-N 3.29Å; L78-R82 WeakPolarHBondContact O-CB 3.3Å; L78-R82 PolarHBondContact O-N 3.38Å; L78-A109 HydrophobicContact CD2-CB 3.63Å; L78-A112 HydrophobicContact CD1-CB 3.7Å; L78-A112 HydrophobicContact CG-CB 4.34Å; L78-F130 HydrophobicContact CD1-CD1 4.22Å; L78-F130 HydrophobicContact CD1-CD2 4.05Å; L78-F130 HydrophobicContact CD1-CE1 3.71Å; L78-F130 HydrophobicContact CD1-CE2 3.55Å; L78-F130 HydrophobicContact CD1-CG 4.38Å; L78-F130 HydrophobicContact CD1-CZ 3.37Å; L78-F130 HydrophobicContact CD2-CE1 3.87Å; L78-F130 HydrophobicContact CD2-CZ 3.78Å; L78-F130 HydrophobicContact CG-CE1 4.45Å; L78-F130 HydrophobicContact CG-CZ 4.16Å; L78-D131 PolarHBondContact N-O 3.43Å; L78-A132 HydrophobicContact CB-CB 3.89Å; L78-A132 HydrophobicContact CD1-CB 4.22Å; L78-A132 HydrophobicContact CD2-CB 3.67Å; L78-A132 HydrophobicContact CG-CB 4.12Å
79	G	89.4	Confident	92.1	Very high	18 Å²	18	56.7 Å²	56.7	19%	0.186	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-35.4	171.2	0	0	0	0	0	112.3	N77 R83	N77-G79 PolarHBondContact O-N 3.48Å; N77-G79 VanDerWaalsContact O-N 3.11Å; N77-G79 WeakPolarHBondContact OD1-CA 3.19Å; N77-G79 PolarHBondContact OD1-N 3.46Å; G79-R83 WeakPolarHBondContact O-CG 3.49Å; G79-R83 VanDerWaalsContact O-CZ 3.3Å; G79-R83 PolarHBondContact O-N 3.35Å; G79-R83 VanDerWaalsContact O-N 3.1Å; G79-R83 PolarHBondContact O-NH1 3.29Å
80	Q	91.2	Very high	91.6	Very high	99 Å²	99	58.4 Å²	58.4	46%	0.463	31%	0.31	S	S	.	.	H	α-helix	trans	-69.8	-52	176.9	-178.7	176.6	-9	0	0	111.5	N77 L78 R82 R83 E84	N77-Q80 WeakPolarHBondContact O-CB 3.44Å; N77-Q80 PolarHBondContact O-N 2.92Å; N77-Q80 PolarHBondContact OD1-N 3.46Å; N77-Q80 VanDerWaalsContact OD1-N 3.16Å; L78-Q80 VanDerWaalsContact C-N 3.27Å; L78-Q80 PolarHBondContact O-N 3.29Å; Q80-R82 PolarHBondContact O-N 2.69Å; Q80-R83 PolarHBondContact O-N 3.07Å; Q80-E84 VanDerWaalsContact CG-OE1 3.32Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.35Å; Q80-E84 PolarHBondContact NE2-OE1 2.92Å; Q80-E84 PolarHBondContact O-N 2.93Å
81	Y	94.4	Very high	91.4	Very high	39 Å²	39	59.1 Å²	59.1	15%	0.153	30%	0.298	C	S	.	.	H	α-helix	trans	-53.4	-40.8	175.4	-72.8	-93	0	0	0	112.1	N77 E84 A85 A111 A112 D115	N77-Y81 WeakPolarHBondContact O-CD2 3.17Å; Y81-E84 PolarHBondContact O-N 3Å; Y81-A85 PolarHBondContact O-N 2.92Å; Y81-A85 VanDerWaalsContact O-N 3.14Å; Y81-A111 HydrophobicContact CD1-CB 4.16Å; Y81-A111 HydrophobicContact CE1-CB 4.43Å; Y81-A112 HydrophobicContact CD1-CB 4.35Å; Y81-A112 HydrophobicContact CD2-CB 3.91Å; Y81-A112 HydrophobicContact CE1-CB 4.18Å; Y81-A112 HydrophobicContact CE2-CB 3.73Å; Y81-A112 HydrophobicContact CG-CB 4.23Å; Y81-D115 WeakPolarHBondContact CE1-OD2 3.48Å; Y81-D115 VanDerWaalsContact CZ-OD2 3.3Å; Y81-D115 WeakPolarHBondContact OH-CB 3.31Å; Y81-D115 PolarHBondContact OH-OD2 3.18Å
82	R	93.5	Very high	91.2	Very high	12 Å²	12	62.6 Å²	62.6	5%	0.045	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-41.5	175.6	-179.2	-86.9	-56.2	178.1	4.3	112.6	L78 Q80 E84 A85 V86 F93 D180	L78-R82 WeakPolarHBondContact O-CB 3.3Å; L78-R82 PolarHBondContact O-N 3.38Å; Q80-R82 PolarHBondContact O-N 2.69Å; R82-E84 VanDerWaalsContact C-N 3.3Å; R82-A85 PolarHBondContact O-N 3.24Å; R82-V86 PolarHBondContact O-N 3.43Å; R82-F93 HydrophobicContact CG-CE1 3.91Å; R82-F93 HydrophobicContact CG-CZ 4.05Å; R82-D180 IonicContact CZ-OD1 2.72Å; R82-D180 VanDerWaalsContact CZ-OD1 3.29Å; R82-D180 IonicContact CZ-OD2 2.91Å; R82-D180 IonicContact NH1-OD1 2.68Å; R82-D180 PolarHBondContact NH1-OD1 3.02Å; R82-D180 IonicContact NH1-OD2 2.88Å; R82-D180 VanDerWaalsContact NH2-CG 3.28Å; R82-D180 IonicContact NH2-OD1 2.77Å; R82-D180 PolarHBondContact NH2-OD1 3.13Å; R82-D180 IonicContact NH2-OD2 3.87Å; R82-D180 PolarHBondContact NH2-OD2 3.13Å
83	R	90.4	Very high	90.9	Very high	83 Å²	83	61.8 Å²	61.8	31%	0.313	30%	0.304	S	S	.	.	H	α-helix	trans	-66.5	-32.8	178.9	-79.3	-175.4	-64.7	-91.3	-1.6	112.6	G79 Q80 A85 D180	G79-R83 WeakPolarHBondContact O-CG 3.49Å; G79-R83 VanDerWaalsContact O-CZ 3.3Å; G79-R83 PolarHBondContact O-N 3.35Å; G79-R83 VanDerWaalsContact O-N 3.1Å; G79-R83 PolarHBondContact O-NH1 3.29Å; Q80-R83 PolarHBondContact O-N 3.07Å; R83-A85 VanDerWaalsContact C-N 3.34Å; R83-D180 WeakPolarHBondContact CD-OD1 3.48Å; R83-D180 WeakPolarHBondContact CG-OD1 3.34Å; R83-D180 IonicContact NH1-OD2 2.75Å
84	E	90.8	Very high	90.5	Very high	137 Å²	137	61.8 Å²	61.8	64%	0.64	30%	0.304	S	S	*	.	H	α-helix	trans	-70.9	-31.8	173.9	-69.7	169.3	-167.8	0	0	111.8	Q80 Y81 R82	Q80-E84 VanDerWaalsContact CG-OE1 3.32Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.35Å; Q80-E84 PolarHBondContact NE2-OE1 2.92Å; Q80-E84 PolarHBondContact O-N 2.93Å; Y81-E84 PolarHBondContact O-N 3Å; R82-E84 VanDerWaalsContact C-N 3.3Å
85	A	89.1	Confident	90.1	Very high	62 Å²	62	59.9 Å²	59.9	51%	0.512	30%	0.298	S	S	.	.	H	α-helix	trans	-81.8	-38.4	178.2	0	0	0	0	0	113.7	Y81 R82 R83	Y81-A85 PolarHBondContact O-N 2.92Å; Y81-A85 VanDerWaalsContact O-N 3.14Å; R82-A85 PolarHBondContact O-N 3.24Å; R83-A85 VanDerWaalsContact C-N 3.34Å
86	V	89.6	Confident	89.5	Confident	45 Å²	45	59.5 Å²	59.5	27%	0.273	30%	0.296	S	S	.	.			trans	-149.5	136.1	-171.4	-178.2	0	0	0	0	112	R82 F93 I104	R82-V86 PolarHBondContact O-N 3.43Å; V86-F93 HydrophobicContact CG1-CE2 4.32Å; V86-I104 HydrophobicContact CG2-CD1 3.93Å; V86-I104 HydrophobicContact CG2-CG2 3.78Å
87	S	83	Confident	89.1	Confident	107 Å²	107	65 Å²	65	75%	0.748	33%	0.326	S	S	*	.			trans	-69.1	133.5	170.8	-51.9	0	0	0	0	112.1
88	Y	82.4	Confident	89	Confident	33 Å²	33	65.9 Å²	65.9	13%	0.129	33%	0.33	C	S	.	.			trans	-72.9	142.9	176.9	-168.1	-116	0	0	0	111.7	N90 Y91 F94 D180 Y181 D192	Y88-N90 WeakPolarHBondContact CE2-O 3.42Å; Y88-N90 VanDerWaalsContact CZ-C 3.43Å; Y88-N90 PolarHBondContact OH-O 3.29Å; Y88-Y91 PolarHBondContact OH-N 3.46Å; Y88-F94 HydrophobicContact CD2-CE2 4.16Å; Y88-F94 HydrophobicContact CE2-CD2 4.1Å; Y88-F94 AromaticContact CE2-CE2 3.32Å; Y88-F94 HydrophobicContact CE2-CE2 3.32Å; Y88-F94 HydrophobicContact CE2-CZ 4.1Å; Y88-F94 AromaticContact CZ-CE2 4Å; Y88-D180 HydrophobicContact CD1-CB 3.82Å; Y88-D180 VanDerWaalsContact CD1-O 3.32Å; Y88-D180 WeakPolarHBondContact CD1-O 3.47Å; Y88-D180 HydrophobicContact CE1-CB 4.47Å; Y88-D180 HydrophobicContact CG-CB 4.09Å; Y88-Y181 HydrophobicContact CD1-CE1 4.39Å; Y88-Y181 HydrophobicContact CE1-CD1 4.4Å; Y88-Y181 AromaticContact CE1-CE1 3.64Å; Y88-Y181 HydrophobicContact CE1-CE1 3.64Å; Y88-Y181 AromaticContact CE1-CZ 3.75Å; Y88-Y181 PolarHBondContact OH-OH 3.38Å; Y88-D192 WeakPolarHBondContact CE1-OD2 3.32Å; Y88-D192 PolarHBondContact OH-OD2 3.19Å
89	R	80	Confident	88.9	Confident	232 Å²	232	70.5 Å²	70.5	88%	0.875	35%	0.353	S	S	*	.			trans	-121	-59.1	171.6	-68.3	-171.1	179.8	-175	0.9	111.4
90	N	85.8	Confident	89	Confident	48 Å²	48	76.5 Å²	76.5	26%	0.257	38%	0.376	S	S	.	.			trans	-159.4	178.6	-176.3	63.5	18.4	0	0	0	110.8	Y88 E92 F93 D192	Y88-N90 WeakPolarHBondContact CE2-O 3.42Å; Y88-N90 VanDerWaalsContact CZ-C 3.43Å; Y88-N90 PolarHBondContact OH-O 3.29Å; N90-E92 PolarHBondContact ND2-OE2 3.27Å; N90-E92 PolarHBondContact O-N 2.88Å; N90-E92 VanDerWaalsContact O-N 3.14Å; N90-E92 WeakPolarHBondContact OD1-CB 3.35Å; N90-E92 WeakPolarHBondContact OD1-CG 3.4Å; N90-E92 PolarHBondContact OD1-N 3.09Å; N90-E92 VanDerWaalsContact OD1-N 3.08Å; N90-E92 PolarHBondContact OD1-OE2 3.45Å; N90-F93 PolarHBondContact O-N 3.3Å; N90-D192 VanDerWaalsContact CA-OD1 3.26Å; N90-D192 WeakPolarHBondContact CA-OD1 3.4Å
91	Y	88.8	Confident	88.9	Confident	62 Å²	62	71.9 Å²	71.9	24%	0.243	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-60.5	-17.7	179.8	73.8	-82	0	0	0	114.8	Y88 F93 F94 D192 K195	Y88-Y91 PolarHBondContact OH-N 3.46Å; Y91-F93 PolarHBondContact O-N 2.65Å; Y91-F94 WeakPolarHBondContact O-CA 3.48Å; Y91-F94 WeakPolarHBondContact O-CB 3.27Å; Y91-F94 PolarHBondContact O-N 3.18Å; Y91-D192 PolarHBondContact N-OD1 3.37Å; Y91-K195 HydrophobicContact CD1-CB 3.94Å; Y91-K195 HydrophobicContact CD1-CD 3.94Å; Y91-K195 HydrophobicContact CD2-CB 3.71Å; Y91-K195 HydrophobicContact CE1-CB 4.33Å; Y91-K195 HydrophobicContact CE1-CD 3.63Å; Y91-K195 HydrophobicContact CE2-CB 4.08Å; Y91-K195 HydrophobicContact CE2-CD 4.32Å; Y91-K195 HydrophobicContact CG-CB 3.63Å; Y91-K195 HydrophobicContact CG-CD 4.44Å
92	E	91.1	Very high	88.7	Confident	97 Å²	97	73.6 Å²	73.6	45%	0.453	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-63.3	-25.5	-177.9	-58.9	173.8	155.4	0	0	112.3	N90 F94 L95 N98	N90-E92 PolarHBondContact ND2-OE2 3.27Å; N90-E92 PolarHBondContact O-N 2.88Å; N90-E92 VanDerWaalsContact O-N 3.14Å; N90-E92 WeakPolarHBondContact OD1-CB 3.35Å; N90-E92 WeakPolarHBondContact OD1-CG 3.4Å; N90-E92 PolarHBondContact OD1-N 3.09Å; N90-E92 VanDerWaalsContact OD1-N 3.08Å; N90-E92 PolarHBondContact OD1-OE2 3.45Å; E92-F94 PolarHBondContact O-N 3.4Å; E92-L95 HydrophobicContact CB-CD1 3.88Å; E92-L95 HydrophobicContact CG-CD1 4.16Å; E92-L95 WeakPolarHBondContact O-CB 3.35Å; E92-L95 PolarHBondContact O-N 2.61Å; E92-N98 PolarHBondContact O-ND2 2.89Å; E92-N98 VanDerWaalsContact O-ND2 3.11Å
93	F	90	Very high	88.5	Confident	30 Å²	30	77.8 Å²	77.8	13%	0.132	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-59.5	-25.7	170.4	-177.9	-93.7	0	0	0	112.5	R82 V86 N90 Y91 A101 I104 R105	R82-F93 HydrophobicContact CG-CE1 3.91Å; R82-F93 HydrophobicContact CG-CZ 4.05Å; V86-F93 HydrophobicContact CG1-CE2 4.32Å; N90-F93 PolarHBondContact O-N 3.3Å; Y91-F93 PolarHBondContact O-N 2.65Å; F93-A101 HydrophobicContact CD1-CB 4.35Å; F93-A101 HydrophobicContact CD2-CB 3.53Å; F93-A101 HydrophobicContact CE1-CB 4.36Å; F93-A101 HydrophobicContact CE2-CB 3.55Å; F93-A101 HydrophobicContact CG-CB 3.96Å; F93-A101 HydrophobicContact CZ-CB 3.98Å; F93-A101 WeakPolarHBondContact O-CB 3.45Å; F93-I104 HydrophobicContact CZ-CB 4.49Å; F93-I104 HydrophobicContact CZ-CG2 4.18Å; F93-R105 HydrophobicContact CE1-CG 3.78Å; F93-R105 HydrophobicContact CZ-CG 4.13Å
94	F	90.5	Very high	88.7	Confident	6 Å²	6	75.2 Å²	75.2	3%	0.026	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-95.9	-3.7	-178.1	-61.5	-65.8	0	0	0	114.2	Y88 Y91 E92 R196 C199 Y200	Y88-F94 HydrophobicContact CD2-CE2 4.16Å; Y88-F94 HydrophobicContact CE2-CD2 4.1Å; Y88-F94 AromaticContact CE2-CE2 3.32Å; Y88-F94 HydrophobicContact CE2-CE2 3.32Å; Y88-F94 HydrophobicContact CE2-CZ 4.1Å; Y88-F94 AromaticContact CZ-CE2 4Å; Y91-F94 WeakPolarHBondContact O-CA 3.48Å; Y91-F94 WeakPolarHBondContact O-CB 3.27Å; Y91-F94 PolarHBondContact O-N 3.18Å; E92-F94 PolarHBondContact O-N 3.4Å; F94-R196 HydrophobicContact CB-CG 4.48Å; F94-R196 HydrophobicContact CD2-CB 4.37Å; F94-R196 HydrophobicContact CD2-CG 3.55Å; F94-R196 VanDerWaalsContact CE2-CD 3.45Å; F94-R196 HydrophobicContact CE2-CG 4Å; F94-R196 HydrophobicContact CG-CG 4.13Å; F94-C199 HydrophobicContact CB-CB 4.13Å; F94-Y200 HydrophobicContact CB-CE2 4.04Å; F94-Y200 AromaticContact CD1-CE2 3.92Å; F94-Y200 HydrophobicContact CD1-CE2 3.92Å; F94-Y200 AromaticContact CD1-CZ 3.86Å; F94-Y200 WeakPolarHBondContact CD1-OH 3.36Å; F94-Y200 WeakPolarHBondContact CE1-OH 3.34Å; F94-Y200 HydrophobicContact CG-CE2 4.02Å
95	L	89.8	Confident	88.7	Confident	53 Å²	53	70.7 Å²	70.7	28%	0.277	36%	0.356	S	S	.	.			trans	-57.2	143	-179.9	-73.8	166.8	0	0	0	112	E92 D97 N98	E92-L95 HydrophobicContact CB-CD1 3.88Å; E92-L95 HydrophobicContact CG-CD1 4.16Å; E92-L95 WeakPolarHBondContact O-CB 3.35Å; E92-L95 PolarHBondContact O-N 2.61Å; L95-D97 VanDerWaalsContact C-N 3.31Å; L95-D97 VanDerWaalsContact CB-OD1 3.28Å; L95-D97 WeakPolarHBondContact CB-OD1 3.39Å; L95-D97 PolarHBondContact O-N 3.17Å; L95-N98 HydrophobicContact CB-CB 4.27Å; L95-N98 PolarHBondContact O-N 3.23Å
96	P	84.7	Confident	88.8	Confident	33 Å²	33	72.1 Å²	72.1	21%	0.214	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.6	179.2	-24.7	35.3	0	0	0	114.9	M99 Q102 I202	P96-M99 WeakPolarHBondContact O-CE 3.29Å; P96-Q102 PolarHBondContact O-NE2 3.15Å; P96-I202 HydrophobicContact CG-CB 4.47Å; P96-I202 HydrophobicContact CG-CD1 4.02Å; P96-I202 HydrophobicContact CG-CG2 4.41Å
97	D	89.4	Confident	89	Confident	121 Å²	121	75.4 Å²	75.4	65%	0.647	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-8.6	-179.6	59.9	-17.6	0	0	0	113.2	L95 M99	L95-D97 VanDerWaalsContact C-N 3.31Å; L95-D97 VanDerWaalsContact CB-OD1 3.28Å; L95-D97 WeakPolarHBondContact CB-OD1 3.39Å; L95-D97 PolarHBondContact O-N 3.17Å; D97-M99 PolarHBondContact O-N 2.68Å
98	N	91.6	Very high	89.6	Confident	48 Å²	48	70.8 Å²	70.8	26%	0.257	33%	0.331	S	S	.	.			trans	-75.8	83.9	175.7	-169.3	-23.6	0	0	0	111.8	E92 L95 E100 A101 Q102	E92-N98 PolarHBondContact O-ND2 2.89Å; E92-N98 VanDerWaalsContact O-ND2 3.11Å; L95-N98 HydrophobicContact CB-CB 4.27Å; L95-N98 PolarHBondContact O-N 3.23Å; N98-E100 VanDerWaalsContact C-N 3.34Å; N98-E100 PolarHBondContact O-N 2.79Å; N98-A101 HydrophobicContact CB-CB 4.14Å; N98-A101 VanDerWaalsContact CG-CB 3.42Å; N98-A101 PolarHBondContact O-N 2.99Å; N98-A101 WeakPolarHBondContact OD1-CB 3.43Å; N98-A101 PolarHBondContact OD1-N 3.21Å; N98-Q102 WeakPolarHBondContact O-CG 3.49Å; N98-Q102 PolarHBondContact O-N 3.4Å
99	M	90.7	Very high	90.2	Very high	116 Å²	116	69.3 Å²	69.3	57%	0.571	33%	0.325	S	S	*	.	H	α-helix	trans	-59.7	-38.4	-177.5	-65.9	-64.2	94.8	0	0	113.7	P96 D97 Q102 L103	P96-M99 WeakPolarHBondContact O-CE 3.29Å; D97-M99 PolarHBondContact O-N 2.68Å; M99-Q102 HydrophobicContact CE-CG 4.42Å; M99-Q102 PolarHBondContact O-N 3.31Å; M99-L103 PolarHBondContact O-N 3.3Å
100	E	91.7	Very high	90.9	Very high	144 Å²	144	61.8 Å²	61.8	67%	0.673	30%	0.302	S	S	*	.	H	α-helix	trans	-63.8	-50.2	177.5	-174.7	-178.4	178.2	0	0	110.6	N98 Q102 L103 I104	N98-E100 VanDerWaalsContact C-N 3.34Å; N98-E100 PolarHBondContact O-N 2.79Å; E100-Q102 VanDerWaalsContact C-N 3.31Å; E100-Q102 PolarHBondContact O-N 3.05Å; E100-L103 WeakPolarHBondContact O-CB 3.4Å; E100-L103 PolarHBondContact O-N 2.98Å; E100-L103 VanDerWaalsContact O-N 3.14Å; E100-I104 HydrophobicContact CG-CD1 4.12Å; E100-I104 WeakPolarHBondContact O-CG1 3.35Å; E100-I104 PolarHBondContact O-N 3.44Å
101	A	90.1	Very high	91.4	Very high	2 Å²	2	61.4 Å²	61.4	2%	0.017	31%	0.306	C	S	.	.	H	α-helix	trans	-66.8	-32	178.9	0	0	0	0	0	112.8	F93 N98 R105	F93-A101 HydrophobicContact CD1-CB 4.35Å; F93-A101 HydrophobicContact CD2-CB 3.53Å; F93-A101 HydrophobicContact CE1-CB 4.36Å; F93-A101 HydrophobicContact CE2-CB 3.55Å; F93-A101 HydrophobicContact CG-CB 3.96Å; F93-A101 HydrophobicContact CZ-CB 3.98Å; F93-A101 WeakPolarHBondContact O-CB 3.45Å; N98-A101 HydrophobicContact CB-CB 4.14Å; N98-A101 VanDerWaalsContact CG-CB 3.42Å; N98-A101 PolarHBondContact O-N 2.99Å; N98-A101 WeakPolarHBondContact OD1-CB 3.43Å; N98-A101 PolarHBondContact OD1-N 3.21Å; A101-R105 WeakPolarHBondContact O-CB 3.21Å; A101-R105 VanDerWaalsContact O-CG 3.25Å; A101-R105 WeakPolarHBondContact O-CG 3.18Å; A101-R105 PolarHBondContact O-N 2.96Å; A101-R105 PolarHBondContact O-NE 2.94Å
102	Q	88.7	Confident	91.8	Very high	74 Å²	74	58.4 Å²	58.4	35%	0.346	29%	0.294	S	S	.	.	H	α-helix	trans	-62.5	-44.6	170.6	-76.4	-167.9	-6.2	0	0	112.2	P96 N98 M99 E100 R105 K106	P96-Q102 PolarHBondContact O-NE2 3.15Å; N98-Q102 WeakPolarHBondContact O-CG 3.49Å; N98-Q102 PolarHBondContact O-N 3.4Å; M99-Q102 HydrophobicContact CE-CG 4.42Å; M99-Q102 PolarHBondContact O-N 3.31Å; E100-Q102 VanDerWaalsContact C-N 3.31Å; E100-Q102 PolarHBondContact O-N 3.05Å; Q102-R105 PolarHBondContact O-N 2.78Å; Q102-K106 WeakPolarHBondContact O-CB 3.46Å; Q102-K106 PolarHBondContact O-N 3.39Å
103	L	91.3	Very high	92.1	Very high	100 Å²	100	54 Å²	54	52%	0.524	27%	0.273	S	S	.	.	H	α-helix	trans	-61.7	-45.6	177.7	-175.3	65.6	0	0	0	111	M99 E100 K106 Q107	M99-L103 PolarHBondContact O-N 3.3Å; E100-L103 WeakPolarHBondContact O-CB 3.4Å; E100-L103 PolarHBondContact O-N 2.98Å; E100-L103 VanDerWaalsContact O-N 3.14Å; L103-K106 WeakPolarHBondContact O-CB 3.4Å; L103-K106 PolarHBondContact O-N 3.37Å; L103-Q107 WeakPolarHBondContact O-CG 3.32Å; L103-Q107 PolarHBondContact O-N 3.32Å
104	I	92.8	Very high	92.5	Very high	30 Å²	30	59.7 Å²	59.7	15%	0.154	30%	0.298	C	S	.	.	H	α-helix	trans	-60.8	-48	177	-66.1	170.3	0	0	0	110.7	V86 F93 E100 K106 Q107 C108	V86-I104 HydrophobicContact CG2-CD1 3.93Å; V86-I104 HydrophobicContact CG2-CG2 3.78Å; F93-I104 HydrophobicContact CZ-CB 4.49Å; F93-I104 HydrophobicContact CZ-CG2 4.18Å; E100-I104 HydrophobicContact CG-CD1 4.12Å; E100-I104 WeakPolarHBondContact O-CG1 3.35Å; E100-I104 PolarHBondContact O-N 3.44Å; I104-K106 VanDerWaalsContact C-N 3.27Å; I104-K106 PolarHBondContact O-N 2.93Å; I104-Q107 PolarHBondContact O-N 2.86Å; I104-C108 PolarHBondContact O-N 2.92Å; I104-C108 PolarHBondContact O-SG 2.86Å
105	R	91	Very high	92.9	Very high	41 Å²	41	62.6 Å²	62.6	16%	0.155	31%	0.314	C	S	.	.	H	α-helix	trans	-61.1	-35.3	176.7	-74.4	-177	-68.3	174.7	-8.8	112.4	F93 A101 Q102 A109 Y200	F93-R105 HydrophobicContact CE1-CG 3.78Å; F93-R105 HydrophobicContact CZ-CG 4.13Å; A101-R105 WeakPolarHBondContact O-CB 3.21Å; A101-R105 VanDerWaalsContact O-CG 3.25Å; A101-R105 WeakPolarHBondContact O-CG 3.18Å; A101-R105 PolarHBondContact O-N 2.96Å; A101-R105 PolarHBondContact O-NE 2.94Å; Q102-R105 PolarHBondContact O-N 2.78Å; R105-A109 PolarHBondContact O-N 3.35Å; R105-A109 VanDerWaalsContact O-N 3.13Å; R105-Y200 PolarHBondContact NH1-OH 3.33Å
106	K	91.8	Very high	93.3	Very high	93 Å²	93	60 Å²	60	40%	0.404	30%	0.301	S	S	.	.	H	α-helix	trans	-67.4	-44.4	174.9	-175.2	173.9	-179.1	170.9	0	111.1	Q102 L103 I104 A109 L110	Q102-K106 WeakPolarHBondContact O-CB 3.46Å; Q102-K106 PolarHBondContact O-N 3.39Å; L103-K106 WeakPolarHBondContact O-CB 3.4Å; L103-K106 PolarHBondContact O-N 3.37Å; I104-K106 VanDerWaalsContact C-N 3.27Å; I104-K106 PolarHBondContact O-N 2.93Å; K106-A109 WeakPolarHBondContact O-CB 3.47Å; K106-A109 PolarHBondContact O-N 3.45Å; K106-L110 WeakPolarHBondContact O-CG 3.26Å; K106-L110 PolarHBondContact O-N 2.91Å
107	Q	93.9	Very high	93.9	Very high	114 Å²	114	61.1 Å²	61.1	53%	0.533	30%	0.303	S	S	.	.	H	α-helix	trans	-62.3	-42.1	175.7	-71.9	175.1	-7	0	0	112.1	L103 I104 A109 L110 A111	L103-Q107 WeakPolarHBondContact O-CG 3.32Å; L103-Q107 PolarHBondContact O-N 3.32Å; I104-Q107 PolarHBondContact O-N 2.86Å; Q107-A109 VanDerWaalsContact C-N 3.31Å; Q107-A109 PolarHBondContact O-N 3.37Å; Q107-L110 PolarHBondContact O-N 3.44Å; Q107-A111 PolarHBondContact O-N 3.35Å
108	C	95.3	Very high	94.3	Very high	9 Å²	9	60.6 Å²	60.6	6%	0.061	29%	0.294	C	S	.	.	H	α-helix	trans	-59.2	-42.4	174.5	-64.6	0	0	0	0	111.8	I104 A111 A112	I104-C108 PolarHBondContact O-N 2.92Å; I104-C108 PolarHBondContact O-SG 2.86Å; C108-A111 PolarHBondContact O-N 2.95Å; C108-A112 WeakPolarHBondContact O-CB 3.28Å; C108-A112 PolarHBondContact O-N 2.88Å
109	A	94.8	Very high	94.6	Very high	2 Å²	2	59.2 Å²	59.2	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-63.8	-42.1	176.3	0	0	0	0	0	112	L78 R105 K106 Q107 A112 L113 F130	L78-A109 HydrophobicContact CD2-CB 3.63Å; R105-A109 PolarHBondContact O-N 3.35Å; R105-A109 VanDerWaalsContact O-N 3.13Å; K106-A109 WeakPolarHBondContact O-CB 3.47Å; K106-A109 PolarHBondContact O-N 3.45Å; Q107-A109 VanDerWaalsContact C-N 3.31Å; Q107-A109 PolarHBondContact O-N 3.37Å; A109-A112 PolarHBondContact O-N 2.91Å; A109-L113 WeakPolarHBondContact O-CG 3.46Å; A109-L113 PolarHBondContact O-N 3.26Å; A109-F130 HydrophobicContact CB-CZ 4.43Å
110	L	95	Very high	94.9	Very high	75 Å²	75	54.3 Å²	54.3	39%	0.393	26%	0.262	S	S	.	.	H	α-helix	trans	-66.2	-38.5	176.6	-68.3	173.6	0	0	0	112.4	K106 Q107 L113 K114 L142	K106-L110 WeakPolarHBondContact O-CG 3.26Å; K106-L110 PolarHBondContact O-N 2.91Å; Q107-L110 PolarHBondContact O-N 3.44Å; L110-L113 PolarHBondContact O-N 3.47Å; L110-K114 WeakPolarHBondContact O-CG 3.19Å; L110-K114 PolarHBondContact O-N 3.48Å; L110-K114 VanDerWaalsContact O-N 3.08Å; L110-L142 HydrophobicContact CD2-CD2 4.34Å
111	A	96.7	Very high	95	Very high	39 Å²	39	50 Å²	50	32%	0.322	25%	0.247	S	C	.	.	H	α-helix	trans	-62.2	-48.2	173.9	0	0	0	0	0	111.1	Y81 Q107 C108 L113 K114 D115	Y81-A111 HydrophobicContact CD1-CB 4.16Å; Y81-A111 HydrophobicContact CE1-CB 4.43Å; Q107-A111 PolarHBondContact O-N 3.35Å; C108-A111 PolarHBondContact O-N 2.95Å; A111-L113 VanDerWaalsContact C-N 3.32Å; A111-L113 PolarHBondContact O-N 2.98Å; A111-K114 WeakPolarHBondContact O-CB 3.26Å; A111-K114 PolarHBondContact O-N 2.96Å; A111-K114 VanDerWaalsContact O-N 3.12Å; A111-D115 PolarHBondContact O-N 2.88Å; A111-D115 VanDerWaalsContact O-N 3.15Å
112	A	97.6	Very high	95.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.9	-40.1	175.9	0	0	0	0	0	112.5	L78 Y81 C108 A109 K114 D115 V116 F130	L78-A112 HydrophobicContact CD1-CB 3.7Å; L78-A112 HydrophobicContact CG-CB 4.34Å; Y81-A112 HydrophobicContact CD1-CB 4.35Å; Y81-A112 HydrophobicContact CD2-CB 3.91Å; Y81-A112 HydrophobicContact CE1-CB 4.18Å; Y81-A112 HydrophobicContact CE2-CB 3.73Å; Y81-A112 HydrophobicContact CG-CB 4.23Å; C108-A112 WeakPolarHBondContact O-CB 3.28Å; C108-A112 PolarHBondContact O-N 2.88Å; A109-A112 PolarHBondContact O-N 2.91Å; A112-K114 VanDerWaalsContact C-N 3.34Å; A112-K114 PolarHBondContact O-N 2.8Å; A112-D115 PolarHBondContact O-N 3.12Å; A112-V116 WeakPolarHBondContact O-CG2 3.37Å; A112-V116 PolarHBondContact O-N 2.88Å; A112-F130 HydrophobicContact CB-CE2 3.77Å; A112-F130 HydrophobicContact CB-CZ 4.42Å
113	L	97.9	Very high	95.3	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-37	175.5	-73.3	173.3	0	0	0	112.5	M44 A109 L110 A111 D115 V116 H117 F130 L142 F146	M44-L113 HydrophobicContact CE-CD2 3.56Å; A109-L113 WeakPolarHBondContact O-CG 3.46Å; A109-L113 PolarHBondContact O-N 3.26Å; L110-L113 PolarHBondContact O-N 3.47Å; A111-L113 VanDerWaalsContact C-N 3.32Å; A111-L113 PolarHBondContact O-N 2.98Å; L113-D115 VanDerWaalsContact C-N 3.32Å; L113-D115 PolarHBondContact O-N 2.94Å; L113-V116 WeakPolarHBondContact O-CB 3.43Å; L113-V116 PolarHBondContact O-N 3.03Å; L113-H117 PolarHBondContact O-N 2.88Å; L113-F130 HydrophobicContact CD2-CD2 4.18Å; L113-F130 HydrophobicContact CD2-CE2 3.7Å; L113-F130 HydrophobicContact CD2-CZ 4.11Å; L113-F130 HydrophobicContact CG-CE2 3.87Å; L113-F130 HydrophobicContact CG-CZ 4.09Å; L113-L142 HydrophobicContact CD1-CD2 3.61Å; L113-F146 HydrophobicContact CB-CD2 4.22Å; L113-F146 HydrophobicContact CB-CE1 4.24Å; L113-F146 HydrophobicContact CB-CE2 3.93Å; L113-F146 HydrophobicContact CB-CG 4.48Å; L113-F146 HydrophobicContact CB-CZ 3.93Å; L113-F146 HydrophobicContact CD1-CB 4.39Å; L113-F146 HydrophobicContact CD1-CD2 4.41Å; L113-F146 HydrophobicContact CD1-CG 4.21Å; L113-F146 HydrophobicContact CD2-CD1 3.79Å; L113-F146 HydrophobicContact CD2-CE1 3.92Å; L113-F146 HydrophobicContact CD2-CG 4.24Å; L113-F146 HydrophobicContact CD2-CZ 4.46Å; L113-F146 WeakPolarHBondContact O-CZ 3.43Å
114	K	97.3	Very high	95.3	Very high	150 Å²	150	59.1 Å²	59.1	65%	0.652	29%	0.287	S	S	*	.	H	α-helix	trans	-61.5	-42.5	173.5	-71.1	173.9	-179.2	-178.2	0	111.6	L110 A111 A112 H117 K118	L110-K114 WeakPolarHBondContact O-CG 3.19Å; L110-K114 PolarHBondContact O-N 3.48Å; L110-K114 VanDerWaalsContact O-N 3.08Å; A111-K114 WeakPolarHBondContact O-CB 3.26Å; A111-K114 PolarHBondContact O-N 2.96Å; A111-K114 VanDerWaalsContact O-N 3.12Å; A112-K114 VanDerWaalsContact C-N 3.34Å; A112-K114 PolarHBondContact O-N 2.8Å; K114-H117 WeakPolarHBondContact O-CB 3.5Å; K114-H117 PolarHBondContact O-N 3.36Å; K114-K118 PolarHBondContact O-N 2.76Å
115	D	98.2	Very high	95.3	Very high	67 Å²	67	57.8 Å²	57.8	36%	0.358	28%	0.281	S	S	.	.	H	α-helix	trans	-69.6	-34.3	177.5	-66.4	-19.3	0	0	0	112.1	F76 Y81 A111 A112 L113 K118 Y119	F76-D115 HydrophobicContact CD1-CB 4.08Å; F76-D115 HydrophobicContact CE1-CB 3.74Å; Y81-D115 WeakPolarHBondContact CE1-OD2 3.48Å; Y81-D115 VanDerWaalsContact CZ-OD2 3.3Å; Y81-D115 WeakPolarHBondContact OH-CB 3.31Å; Y81-D115 PolarHBondContact OH-OD2 3.18Å; A111-D115 PolarHBondContact O-N 2.88Å; A111-D115 VanDerWaalsContact O-N 3.15Å; A112-D115 PolarHBondContact O-N 3.12Å; L113-D115 VanDerWaalsContact C-N 3.32Å; L113-D115 PolarHBondContact O-N 2.94Å; D115-K118 PolarHBondContact O-N 3.34Å; D115-Y119 WeakPolarHBondContact O-CB 3.37Å; D115-Y119 PolarHBondContact O-N 3.03Å
116	V	98.3	Very high	95.5	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.8	-48.4	169.6	168.7	0	0	0	0	110.5	M44 F76 A112 L113 K118 Y119 L120 A128 F130	M44-V116 HydrophobicContact CE-CG1 4Å; M44-V116 HydrophobicContact CG-CG1 4.1Å; M44-V116 HydrophobicContact SD-CG1 4.16Å; F76-V116 HydrophobicContact CB-CG2 4.19Å; F76-V116 HydrophobicContact CD1-CG2 3.88Å; F76-V116 HydrophobicContact CD2-CG2 3.55Å; F76-V116 HydrophobicContact CE1-CG2 4.13Å; F76-V116 HydrophobicContact CE2-CG2 3.82Å; F76-V116 HydrophobicContact CG-CG2 3.59Å; F76-V116 HydrophobicContact CZ-CG2 4.1Å; A112-V116 WeakPolarHBondContact O-CG2 3.37Å; A112-V116 PolarHBondContact O-N 2.88Å; L113-V116 WeakPolarHBondContact O-CB 3.43Å; L113-V116 PolarHBondContact O-N 3.03Å; V116-K118 PolarHBondContact O-N 2.74Å; V116-Y119 PolarHBondContact O-N 2.79Å; V116-L120 HydrophobicContact CG1-CD1 3.73Å; V116-L120 HydrophobicContact CG1-CG 4.23Å; V116-L120 WeakPolarHBondContact O-CG 3.42Å; V116-L120 PolarHBondContact O-N 3.09Å; V116-A128 HydrophobicContact CB-CB 4.42Å; V116-A128 HydrophobicContact CG1-CB 3.61Å; V116-A128 HydrophobicContact CG2-CB 4.14Å; V116-F130 HydrophobicContact CG2-CD2 4.14Å
117	H	97.8	Very high	95.8	Very high	56 Å²	56	56.2 Å²	56.2	26%	0.259	28%	0.276	S	S	.	.	H	α-helix	trans	-57.7	-52.6	177	177.7	64.3	0	0	0	110.5	L113 K114 Y119 L120 S121 F146 H150 Y152	L113-H117 PolarHBondContact O-N 2.88Å; K114-H117 WeakPolarHBondContact O-CB 3.5Å; K114-H117 PolarHBondContact O-N 3.36Å; H117-Y119 VanDerWaalsContact C-N 3.27Å; H117-Y119 PolarHBondContact O-N 3.45Å; H117-L120 PolarHBondContact O-N 3.49Å; H117-S121 PolarHBondContact CE1-OG 3.46Å; H117-S121 VanDerWaalsContact CE1-OG 3.24Å; H117-S121 PolarHBondContact NE2-OG 3.28Å; H117-S121 WeakPolarHBondContact O-CB 3.13Å; H117-S121 PolarHBondContact O-N 2.95Å; H117-S121 PolarHBondContact O-OG 2.87Å; H117-F146 HydrophobicContact CB-CZ 3.93Å; H117-H150 AromaticContact CE1-CD2 3.37Å; H117-H150 PolarHBondContact CE1-CD2 3.22Å; H117-H150 AromaticContact CG-CD2 3.94Å; H117-H150 AromaticContact ND1-CD2 3.19Å; H117-H150 PolarHBondContact ND1-CD2 3.06Å; H117-H150 AromaticContact ND1-CG 3.86Å; H117-H150 AromaticContact ND1-NE2 3.85Å; H117-Y152 PolarHBondContact CE1-OH 3.3Å; H117-Y152 AromaticContact ND1-CZ 3.77Å; H117-Y152 PolarHBondContact ND1-OH 2.9Å
118	K	97.9	Very high	96.1	Very high	109 Å²	109	50.8 Å²	50.8	47%	0.474	25%	0.251	S	S	.	.	H	α-helix	trans	-51.6	-48.1	179.3	-172.8	-170	177.5	-138.5	0	111.4	K114 D115 V116 H122 E123	K114-K118 PolarHBondContact O-N 2.76Å; D115-K118 PolarHBondContact O-N 3.34Å; V116-K118 PolarHBondContact O-N 2.74Å; K118-H122 WeakPolarHBondContact O-CA 3.43Å; K118-H122 WeakPolarHBondContact O-CB 3.31Å; K118-H122 PolarHBondContact O-N 2.95Å; K118-E123 WeakPolarHBondContact CD-OE1 3.38Å; K118-E123 WeakPolarHBondContact CE-OE1 3.44Å; K118-E123 IonicContact NZ-OE1 3.4Å; K118-E123 PolarHBondContact NZ-OE1 2.98Å; K118-E123 PolarHBondContact O-N 3.28Å
119	Y	98.2	Very high	96.2	Very high	20 Å²	20	50.4 Å²	50.4	8%	0.078	25%	0.248	C	C	.	.	H	α-helix	trans	-61.9	-50	179.5	176.5	-113.1	0	0	0	112.8	P72 T73 K74 F76 D115 V116 H117 E123 G125 V127 A128	P72-Y119 PolarHBondContact O-OH 2.88Å; T73-Y119 WeakPolarHBondContact CA-OH 3.16Å; T73-Y119 PolarHBondContact N-OH 2.99Å; T73-Y119 VanDerWaalsContact N-OH 3.14Å; K74-Y119 HydrophobicContact CB-CD1 4.07Å; K74-Y119 HydrophobicContact CB-CD2 4.38Å; K74-Y119 HydrophobicContact CB-CE1 3.61Å; K74-Y119 HydrophobicContact CB-CE2 3.98Å; K74-Y119 HydrophobicContact CB-CG 4.43Å; K74-Y119 HydrophobicContact CD-CD2 3.96Å; K74-Y119 HydrophobicContact CD-CE2 4.11Å; K74-Y119 HydrophobicContact CD-CG 4.28Å; F76-Y119 HydrophobicContact CE2-CD1 4.03Å; F76-Y119 HydrophobicContact CE2-CG 4.44Å; F76-Y119 AromaticContact CZ-CD1 3.99Å; F76-Y119 HydrophobicContact CZ-CD1 3.99Å; F76-Y119 AromaticContact CZ-CG 3.95Å; F76-Y119 HydrophobicContact CZ-CG 3.95Å; D115-Y119 WeakPolarHBondContact O-CB 3.37Å; D115-Y119 PolarHBondContact O-N 3.03Å; V116-Y119 PolarHBondContact O-N 2.79Å; H117-Y119 VanDerWaalsContact C-N 3.27Å; H117-Y119 PolarHBondContact O-N 3.45Å; Y119-E123 HydrophobicContact CD2-CB 4Å; Y119-E123 CarbonylContact O-C 3.51Å; Y119-E123 PolarHBondContact O-N 3.36Å; Y119-G125 VanDerWaalsContact CE1-CA 3.5Å; Y119-G125 PolarHBondContact O-N 3.45Å; Y119-G125 VanDerWaalsContact O-N 3.15Å; Y119-V127 WeakPolarHBondContact CE1-O 3.42Å; Y119-A128 HydrophobicContact CD1-CB 4.48Å
120	L	96.1	Very high	96.4	Very high	12 Å²	12	50.3 Å²	50.3	6%	0.063	25%	0.248	C	C	.	.	H	α-helix	trans	-74.4	-25.3	-175.8	-63.4	-178.4	0	0	0	113.9	P42 M44 V116 H117 A128 Y152	P42-L120 HydrophobicContact CB-CB 4.12Å; P42-L120 HydrophobicContact CB-CD1 4.1Å; P42-L120 HydrophobicContact CB-CD2 3.96Å; P42-L120 HydrophobicContact CB-CG 4.28Å; P42-L120 HydrophobicContact CG-CB 4.45Å; M44-L120 HydrophobicContact CG-CD1 3.98Å; V116-L120 HydrophobicContact CG1-CD1 3.73Å; V116-L120 HydrophobicContact CG1-CG 4.23Å; V116-L120 WeakPolarHBondContact O-CG 3.42Å; V116-L120 PolarHBondContact O-N 3.09Å; H117-L120 PolarHBondContact O-N 3.49Å; L120-A128 HydrophobicContact CD1-CB 3.94Å; L120-A128 HydrophobicContact CD2-CB 3.97Å; L120-A128 HydrophobicContact CG-CB 4.07Å; L120-Y152 HydrophobicContact CB-CE1 3.94Å; L120-Y152 HydrophobicContact CD1-CD1 4.18Å; L120-Y152 HydrophobicContact CD1-CD2 4.14Å; L120-Y152 HydrophobicContact CD1-CE1 4.16Å; L120-Y152 HydrophobicContact CD1-CE2 4.12Å; L120-Y152 HydrophobicContact CD1-CG 4.17Å
121	S	94	Very high	96.5	Very high	53 Å²	53	47 Å²	47	37%	0.371	23%	0.23	S	C	.	.	H	α-helix	trans	-103.5	-25.2	-177.8	61.5	0	0	0	0	114.6	H117	H117-S121 PolarHBondContact CE1-OG 3.46Å; H117-S121 VanDerWaalsContact CE1-OG 3.24Å; H117-S121 PolarHBondContact NE2-OG 3.28Å; H117-S121 WeakPolarHBondContact O-CB 3.13Å; H117-S121 PolarHBondContact O-N 2.95Å; H117-S121 PolarHBondContact O-OG 2.87Å
122	H	92.2	Very high	96.4	Very high	139 Å²	139	45.7 Å²	45.7	64%	0.644	22%	0.22	S	C	*	.	H	α-helix	trans	-122.8	-22.7	-174.2	-56.2	79.1	0	0	0	114.7	K118	K118-H122 WeakPolarHBondContact O-CA 3.43Å; K118-H122 WeakPolarHBondContact O-CB 3.31Å; K118-H122 PolarHBondContact O-N 2.95Å
123	E	93.1	Very high	96.3	Very high	75 Å²	75	46.9 Å²	46.9	35%	0.35	23%	0.227	S	C	.	.	S	Bend	trans	-111.4	26.3	-172.8	-52.8	178.8	176.4	0	0	112.8	K118 Y119 G125	K118-E123 WeakPolarHBondContact CD-OE1 3.38Å; K118-E123 WeakPolarHBondContact CE-OE1 3.44Å; K118-E123 IonicContact NZ-OE1 3.4Å; K118-E123 PolarHBondContact NZ-OE1 2.98Å; K118-E123 PolarHBondContact O-N 3.28Å; Y119-E123 HydrophobicContact CD2-CB 4Å; Y119-E123 CarbonylContact O-C 3.51Å; Y119-E123 PolarHBondContact O-N 3.36Å; E123-G125 PolarHBondContact O-N 2.8Å
124	E	90.6	Very high	96.2	Very high	155 Å²	155	46.8 Å²	46.8	72%	0.724	23%	0.226	S	C	*	.			trans	56.3	20.6	179.1	-54.4	-170.1	154.2	0	0	114.9
125	G	94.1	Very high	96.2	Very high	2 Å²	2	40 Å²	40	2%	0.021	20%	0.198	C	C	.	.			trans	-69	135.8	176.6	0	0	0	0	0	112.7	Y119 E123	Y119-G125 VanDerWaalsContact CE1-CA 3.5Å; Y119-G125 PolarHBondContact O-N 3.45Å; Y119-G125 VanDerWaalsContact O-N 3.15Å; E123-G125 PolarHBondContact O-N 2.8Å
126	H	95.8	Very high	96.1	Very high	99 Å²	99	38.7 Å²	38.7	46%	0.458	19%	0.192	S	C	.	.			trans	-103.7	-34.6	175.7	-68.8	149.7	0	0	0	112.7	P42 T43 T71 P72	P42-H126 WeakPolarHBondContact CA-O 3.47Å; T43-H126 PolarHBondContact N-O 3.37Å; T71-H126 HydrophobicContact CG2-CB 4.13Å; P72-H126 WeakPolarHBondContact CD-ND1 3.42Å; P72-H126 PolarHBondContact O-N 3.29Å
127	V	98.3	Very high	96	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.8	-179.1	-179.4	0	0	0	0	111.4	T43 M45 L66 T71 P72 T73 K74 Y119 V129 V236	T43-V127 CarbonylContact O-C 3.59Å; T43-V127 VanDerWaalsContact O-CA 3.28Å; T43-V127 WeakPolarHBondContact O-CA 3.33Å; M45-V127 HydrophobicContact CE-CG1 3.59Å; M45-V127 HydrophobicContact CE-CG2 4.34Å; M45-V127 HydrophobicContact CG-CG1 3.83Å; M45-V127 HydrophobicContact SD-CG1 3.55Å; M45-V127 VanDerWaalsContact SD-CG1 3.55Å; L66-V127 HydrophobicContact CD1-CG1 4.16Å; T71-V127 HydrophobicContact CG2-CG2 3.83Å; P72-V127 PolarHBondContact O-N 3Å; T73-V127 VanDerWaalsContact CA-O 3.26Å; T73-V127 WeakPolarHBondContact CA-O 3.38Å; T73-V127 HydrophobicContact CG2-CB 3.91Å; T73-V127 HydrophobicContact CG2-CG1 3.87Å; K74-V127 PolarHBondContact N-O 3.31Å; K74-V127 VanDerWaalsContact N-O 3.12Å; Y119-V127 WeakPolarHBondContact CE1-O 3.42Å; V127-V129 HydrophobicContact CG1-CG2 4.44Å; V127-V236 HydrophobicContact CG2-CG1 3.82Å
128	A	98.6	Very high	95.9	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.2	172.2	0	0	0	0	0	110.2	T43 M44 M45 F76 V116 Y119 L120	T43-A128 PolarHBondContact O-N 3.31Å; M44-A128 CarbonylContact C-O 3.27Å; M44-A128 WeakPolarHBondContact CA-O 3.42Å; M45-A128 PolarHBondContact N-O 3Å; F76-A128 HydrophobicContact CD2-CB 4.08Å; F76-A128 HydrophobicContact CE2-CB 3.74Å; V116-A128 HydrophobicContact CB-CB 4.42Å; V116-A128 HydrophobicContact CG1-CB 3.61Å; V116-A128 HydrophobicContact CG2-CB 4.14Å; Y119-A128 HydrophobicContact CD1-CB 4.48Å; L120-A128 HydrophobicContact CD1-CB 3.94Å; L120-A128 HydrophobicContact CD2-CB 3.97Å; L120-A128 HydrophobicContact CG-CB 4.07Å
129	V	98.6	Very high	95.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	109.3	175.5	-175.7	0	0	0	0	109.1	M45 M47 S59 T63 T73 K74 V75 F76 V127 D131	M45-V129 HydrophobicContact CB-CG2 4.21Å; M45-V129 CarbonylContact O-C 3.56Å; M45-V129 WeakPolarHBondContact O-CA 3.42Å; M45-V129 HydrophobicContact SD-CG2 4.33Å; M47-V129 HydrophobicContact CG-CG1 4.16Å; M47-V129 HydrophobicContact SD-CG1 4.19Å; S59-V129 WeakPolarHBondContact OG-CG1 3.27Å; T63-V129 WeakPolarHBondContact OG1-CG2 3.37Å; T73-V129 HydrophobicContact CG2-CG2 3.86Å; K74-V129 PolarHBondContact O-N 3.49Å; V75-V129 CarbonylContact C-O 3.53Å; V75-V129 WeakPolarHBondContact CA-O 3.31Å; V75-V129 HydrophobicContact CG2-CB 4.22Å; F76-V129 PolarHBondContact N-O 3.49Å; V127-V129 HydrophobicContact CG1-CG2 4.44Å; V129-D131 PolarHBondContact O-N 2.66Å
130	F	98.3	Very high	95.7	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	93.4	179.9	-164.8	-98.9	0	0	0	110	M45 I46 M47 F76 L78 A109 A112 L113 V116 A132 I143	M45-F130 PolarHBondContact O-N 3.49Å; I46-F130 HydrophobicContact CD1-CB 3.64Å; I46-F130 HydrophobicContact CD1-CD1 4.49Å; I46-F130 HydrophobicContact CD1-CG 4.29Å; M47-F130 PolarHBondContact N-O 3.08Å; M47-F130 VanDerWaalsContact N-O 3.12Å; F76-F130 HydrophobicContact CB-CD2 4.47Å; L78-F130 HydrophobicContact CD1-CD1 4.22Å; L78-F130 HydrophobicContact CD1-CD2 4.05Å; L78-F130 HydrophobicContact CD1-CE1 3.71Å; L78-F130 HydrophobicContact CD1-CE2 3.55Å; L78-F130 HydrophobicContact CD1-CG 4.38Å; L78-F130 HydrophobicContact CD1-CZ 3.37Å; L78-F130 HydrophobicContact CD2-CE1 3.87Å; L78-F130 HydrophobicContact CD2-CZ 3.78Å; L78-F130 HydrophobicContact CG-CE1 4.45Å; L78-F130 HydrophobicContact CG-CZ 4.16Å; A109-F130 HydrophobicContact CB-CZ 4.43Å; A112-F130 HydrophobicContact CB-CE2 3.77Å; A112-F130 HydrophobicContact CB-CZ 4.42Å; L113-F130 HydrophobicContact CD2-CD2 4.18Å; L113-F130 HydrophobicContact CD2-CE2 3.7Å; L113-F130 HydrophobicContact CD2-CZ 4.11Å; L113-F130 HydrophobicContact CG-CE2 3.87Å; L113-F130 HydrophobicContact CG-CZ 4.09Å; V116-F130 HydrophobicContact CG2-CD2 4.14Å; F130-A132 HydrophobicContact CE1-CB 4.41Å; F130-A132 PolarHBondContact O-N 2.99Å; F130-I143 HydrophobicContact CD1-CD1 4.04Å; F130-I143 HydrophobicContact CE1-CD1 3.79Å; F130-I143 HydrophobicContact CE1-CG1 4.45Å
131	D	97	Very high	95.8	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	100.1	-174.2	-177.3	22.1	0	0	0	111.6	M47 T56 V75 F76 N77 L78 V129	M47-D131 HydrophobicContact CG-CB 4.29Å; T56-D131 WeakPolarHBondContact CA-OD2 3.3Å; T56-D131 WeakPolarHBondContact CB-OD2 3.04Å; T56-D131 WeakPolarHBondContact CG2-OD2 3.48Å; T56-D131 PolarHBondContact OG1-OD2 3.06Å; V75-D131 HydrophobicContact CG1-CB 3.95Å; F76-D131 PolarHBondContact O-N 3.31Å; N77-D131 PolarHBondContact ND2-OD2 3.41Å; L78-D131 PolarHBondContact N-O 3.43Å; V129-D131 PolarHBondContact O-N 2.66Å
132	A	95.1	Very high	95.9	Very high	13 Å²	13	46.3 Å²	46.3	11%	0.107	23%	0.227	C	C	.	.	S	Bend	trans	-152.6	178.8	174.2	0	0	0	0	0	111	M47 K55 L78 F130	M47-A132 VanDerWaalsContact O-O 3.13Å; K55-A132 WeakPolarHBondContact CD-O 3.26Å; K55-A132 WeakPolarHBondContact CE-O 3.28Å; L78-A132 HydrophobicContact CB-CB 3.89Å; L78-A132 HydrophobicContact CD1-CB 4.22Å; L78-A132 HydrophobicContact CD2-CB 3.67Å; L78-A132 HydrophobicContact CG-CB 4.12Å; F130-A132 HydrophobicContact CE1-CB 4.41Å; F130-A132 PolarHBondContact O-N 2.99Å
133	T	94.8	Very high	96.1	Very high	24 Å²	24	39.7 Å²	39.7	15%	0.147	20%	0.197	C	C	.	.			trans	-70.1	-43.2	176.5	51.2	0	0	0	0	112.5	V48 G49 P51 T135 Y200	V48-T133 CarbonylContact C-O 3.59Å; V48-T133 WeakPolarHBondContact CA-O 3.32Å; G49-T133 PolarHBondContact N-O 2.74Å; G49-T133 WeakPolarHBondContact O-CA 3.4Å; P51-T133 HydrophobicContact CG-CG2 4.21Å; T133-T135 PolarHBondContact O-N 3.19Å; T133-Y200 HydrophobicContact CG2-CD1 4.07Å; T133-Y200 HydrophobicContact CG2-CE1 3.88Å; T133-Y200 VanDerWaalsContact OG1-CE1 3.31Å; T133-Y200 WeakPolarHBondContact OG1-CE1 3.39Å
134	N	96.9	Very high	96.4	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.191	C	C	.	.			trans	43.7	36.3	179.3	-58	-42.4	0	0	0	114.1	I46 M47 V48 T136 R139 R140	I46-N134 HydrophobicContact CG2-CB 4.34Å; I46-N134 WeakPolarHBondContact CG2-ND2 3.42Å; M47-N134 WeakPolarHBondContact O-CB 3.47Å; M47-N134 PolarHBondContact O-ND2 3.31Å; V48-N134 HydrophobicContact CG2-CB 4.25Å; N134-T136 VanDerWaalsContact C-N 3.31Å; N134-T136 PolarHBondContact O-N 2.96Å; N134-R139 HydrophobicContact CB-CG 4.39Å; N134-R139 WeakPolarHBondContact OD1-CG 3.5Å; N134-R140 HydrophobicContact CB-CG 4.47Å; N134-R140 PolarHBondContact O-NH1 3.15Å; N134-R140 VanDerWaalsContact O-NH1 3.08Å
135	T	96.3	Very high	96.7	Very high	9 Å²	9	35.9 Å²	35.9	6%	0.055	18%	0.18	C	C	.	.			trans	-75.4	-15.5	-169.7	43.9	0	0	0	0	113.6	L50 T133 R140 Y204 Q205	L50-T135 HydrophobicContact CD2-CG2 4.27Å; T133-T135 PolarHBondContact O-N 3.19Å; T135-R140 PolarHBondContact O-NH1 3.01Å; T135-Y204 HydrophobicContact CG2-CD2 3.56Å; T135-Y204 HydrophobicContact CG2-CE2 3.98Å; T135-Y204 HydrophobicContact CG2-CG 4.15Å; T135-Q205 CarbonylContact O-C 3.6Å; T135-Q205 PolarHBondContact O-N 2.82Å; T135-Q205 VanDerWaalsContact O-O 3.12Å
136	T	95.9	Very high	96.9	Very high	39 Å²	39	37 Å²	37	24%	0.239	19%	0.185	C	C	.	.	S	Bend	trans	-103.3	146.4	179.8	69.3	0	0	0	0	111.8	N134 E138 R139 R140 N203	N134-T136 VanDerWaalsContact C-N 3.31Å; N134-T136 PolarHBondContact O-N 2.96Å; T136-E138 VanDerWaalsContact C-N 3.32Å; T136-E138 PolarHBondContact O-N 3.35Å; T136-R139 PolarHBondContact O-N 3.24Å; T136-R139 WeakPolarHBondContact OG1-CB 3.21Å; T136-R139 PolarHBondContact OG1-N 3.47Å; T136-R140 PolarHBondContact O-N 2.87Å; T136-N203 HydrophobicContact CG2-CB 4.29Å
137	R	96.4	Very high	97	Very high	76 Å²	76	32.4 Å²	32.4	29%	0.287	16%	0.163	S	C	.	.	H	α-helix	trans	-62.4	-38.9	174.2	-74.9	-177	176	147.8	5.8	112.1	R139 R140 S141 Q205 D212	R137-R139 VanDerWaalsContact C-N 3.3Å; R137-R139 PolarHBondContact O-N 2.95Å; R137-R140 PolarHBondContact O-N 2.88Å; R137-R140 VanDerWaalsContact O-N 3.1Å; R137-S141 PolarHBondContact O-N 2.77Å; R137-S141 PolarHBondContact O-OG 3.3Å; R137-S141 VanDerWaalsContact O-OG 3.11Å; R137-Q205 HydrophobicContact CG-CB 4.26Å; R137-D212 IonicContact NE-OD2 3.6Å; R137-D212 IonicContact NH2-OD2 3.98Å
138	E	95.1	Very high	96.9	Very high	152 Å²	152	40.3 Å²	40.3	71%	0.71	20%	0.198	S	C	*	.	H	α-helix	trans	-54.9	-45.6	176.4	-171.3	-164	161.2	0	0	111.7	T136 S141 L142	T136-E138 VanDerWaalsContact C-N 3.32Å; T136-E138 PolarHBondContact O-N 3.35Å; E138-S141 PolarHBondContact O-N 3.36Å; E138-L142 PolarHBondContact O-N 2.94Å; E138-L142 VanDerWaalsContact O-N 3.08Å
139	R	95.1	Very high	96.8	Very high	55 Å²	55	46.2 Å²	46.2	21%	0.208	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-44.4	176.7	177.4	59	63	81.1	2.2	111.6	N134 T136 R137 L142 I143	N134-R139 HydrophobicContact CB-CG 4.39Å; N134-R139 WeakPolarHBondContact OD1-CG 3.5Å; T136-R139 PolarHBondContact O-N 3.24Å; T136-R139 WeakPolarHBondContact OG1-CB 3.21Å; T136-R139 PolarHBondContact OG1-N 3.47Å; R137-R139 VanDerWaalsContact C-N 3.3Å; R137-R139 PolarHBondContact O-N 2.95Å; R139-L142 PolarHBondContact O-N 3.11Å; R139-I143 HydrophobicContact CG-CD1 4.2Å; R139-I143 WeakPolarHBondContact O-CG1 3.45Å; R139-I143 PolarHBondContact O-N 3.42Å
140	R	97.7	Very high	96.7	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.011	24%	0.241	C	C	.	.	H	α-helix	trans	-65.7	-38.5	179.5	-64.9	-167.2	-62.9	-94.6	14.3	111.6	N134 T135 T136 R137 L142 I143 L144 F156 Q205	N134-R140 HydrophobicContact CB-CG 4.47Å; N134-R140 PolarHBondContact O-NH1 3.15Å; N134-R140 VanDerWaalsContact O-NH1 3.08Å; T135-R140 PolarHBondContact O-NH1 3.01Å; T136-R140 PolarHBondContact O-N 2.87Å; R137-R140 PolarHBondContact O-N 2.88Å; R137-R140 VanDerWaalsContact O-N 3.1Å; R140-L142 PolarHBondContact O-N 3.2Å; R140-I143 PolarHBondContact O-N 2.78Å; R140-L144 WeakPolarHBondContact O-CB 3.5Å; R140-L144 WeakPolarHBondContact O-CG 3.42Å; R140-L144 PolarHBondContact O-N 3.4Å; R140-F156 HydrophobicContact CB-CE1 4.02Å; R140-F156 HydrophobicContact CB-CZ 4.28Å; R140-F156 HydrophobicContact CG-CE1 3.88Å; R140-Q205 PolarHBondContact NH1-O 3.41Å; R140-Q205 PolarHBondContact NH2-O 3.48Å
141	S	97.3	Very high	96.6	Very high	70 Å²	70	51.3 Å²	51.3	49%	0.49	26%	0.259	S	S	.	.	H	α-helix	trans	-61.7	-40.7	173.9	-63.4	0	0	0	0	112.4	R137 E138 I143 L144 Q145	R137-S141 PolarHBondContact O-N 2.77Å; R137-S141 PolarHBondContact O-OG 3.3Å; R137-S141 VanDerWaalsContact O-OG 3.11Å; E138-S141 PolarHBondContact O-N 3.36Å; S141-I143 VanDerWaalsContact C-N 3.33Å; S141-I143 PolarHBondContact O-N 2.76Å; S141-L144 PolarHBondContact O-N 3.01Å; S141-Q145 VanDerWaalsContact O-CB 3.31Å; S141-Q145 WeakPolarHBondContact O-CB 3.45Å; S141-Q145 PolarHBondContact O-N 2.71Å
142	L	96.5	Very high	96.6	Very high	53 Å²	53	52.2 Å²	52.2	28%	0.277	26%	0.262	S	S	.	.	H	α-helix	trans	-60.4	-43.5	174	-179.6	153.2	0	0	0	111.7	L110 L113 E138 R139 R140 Q145 F146	L110-L142 HydrophobicContact CD2-CD2 4.34Å; L113-L142 HydrophobicContact CD1-CD2 3.61Å; E138-L142 PolarHBondContact O-N 2.94Å; E138-L142 VanDerWaalsContact O-N 3.08Å; R139-L142 PolarHBondContact O-N 3.11Å; R140-L142 PolarHBondContact O-N 3.2Å; L142-Q145 PolarHBondContact O-N 2.77Å; L142-F146 WeakPolarHBondContact O-CB 3.38Å; L142-F146 PolarHBondContact O-N 2.7Å
143	I	97.8	Very high	96.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.7	-42.7	178.2	-65.2	166.6	0	0	0	110.8	M44 I46 F130 R139 R140 S141 F146 A147	M44-I143 HydrophobicContact CE-CG2 4.07Å; I46-I143 HydrophobicContact CD1-CG2 3.57Å; I46-I143 HydrophobicContact CG1-CG2 3.91Å; I46-I143 HydrophobicContact CG2-CD1 4Å; F130-I143 HydrophobicContact CD1-CD1 4.04Å; F130-I143 HydrophobicContact CE1-CD1 3.79Å; F130-I143 HydrophobicContact CE1-CG1 4.45Å; R139-I143 HydrophobicContact CG-CD1 4.2Å; R139-I143 WeakPolarHBondContact O-CG1 3.45Å; R139-I143 PolarHBondContact O-N 3.42Å; R140-I143 PolarHBondContact O-N 2.78Å; S141-I143 VanDerWaalsContact C-N 3.33Å; S141-I143 PolarHBondContact O-N 2.76Å; I143-F146 PolarHBondContact O-N 3.26Å; I143-A147 WeakPolarHBondContact O-CB 3.31Å; I143-A147 PolarHBondContact O-N 3.16Å
144	L	98.1	Very high	96.8	Very high	45 Å²	45	52.9 Å²	52.9	24%	0.236	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-42.9	176.8	-75.8	165.4	0	0	0	112	R140 S141 A147 K148 V154 F156 L215	R140-L144 WeakPolarHBondContact O-CB 3.5Å; R140-L144 WeakPolarHBondContact O-CG 3.42Å; R140-L144 PolarHBondContact O-N 3.4Å; S141-L144 PolarHBondContact O-N 3.01Å; L144-A147 PolarHBondContact O-N 3.2Å; L144-K148 VanDerWaalsContact O-CB 3.3Å; L144-K148 WeakPolarHBondContact O-CB 3.45Å; L144-K148 PolarHBondContact O-N 2.59Å; L144-V154 HydrophobicContact CD2-CB 4.07Å; L144-V154 HydrophobicContact CD2-CG1 4.05Å; L144-V154 HydrophobicContact CD2-CG2 4.12Å; L144-F156 HydrophobicContact CD1-CE2 4.46Å; L144-F156 HydrophobicContact CD1-CZ 4.13Å; L144-F156 HydrophobicContact CD2-CE2 4Å; L144-F156 HydrophobicContact CD2-CZ 4Å; L144-F156 HydrophobicContact CG-CE2 4.38Å; L144-F156 HydrophobicContact CG-CZ 3.94Å; L144-L215 HydrophobicContact CD1-CD1 4.2Å; L144-L215 HydrophobicContact CD1-CD2 3.77Å; L144-L215 HydrophobicContact CD2-CD2 4.04Å
145	Q	97.9	Very high	96.9	Very high	105 Å²	105	52.8 Å²	52.8	49%	0.491	26%	0.261	S	S	.	.	H	α-helix	trans	-59.7	-49.3	175.3	-177.8	71.1	27.5	0	0	110.5	S141 L142 A147 K148 E149	S141-Q145 VanDerWaalsContact O-CB 3.31Å; S141-Q145 WeakPolarHBondContact O-CB 3.45Å; S141-Q145 PolarHBondContact O-N 2.71Å; L142-Q145 PolarHBondContact O-N 2.77Å; Q145-A147 PolarHBondContact O-N 3.08Å; Q145-K148 PolarHBondContact O-N 2.96Å; Q145-E149 WeakPolarHBondContact CG-OE1 3.35Å; Q145-E149 PolarHBondContact NE2-OE1 3.22Å; Q145-E149 WeakPolarHBondContact O-CG 3.49Å; Q145-E149 PolarHBondContact O-N 3.08Å
146	F	98	Very high	97	Very high	27 Å²	27	52.4 Å²	52.4	12%	0.118	26%	0.259	C	S	.	.	H	α-helix	trans	-58.2	-46.9	176	172.4	-89.1	0	0	0	112.2	M44 L113 H117 L142 I143 K148 E149 H150 Y152	M44-F146 HydrophobicContact CE-CD1 3.94Å; M44-F146 HydrophobicContact CE-CE1 3.99Å; M44-F146 HydrophobicContact SD-CD1 3.98Å; M44-F146 HydrophobicContact SD-CE1 3.95Å; L113-F146 HydrophobicContact CB-CD2 4.22Å; L113-F146 HydrophobicContact CB-CE1 4.24Å; L113-F146 HydrophobicContact CB-CE2 3.93Å; L113-F146 HydrophobicContact CB-CG 4.48Å; L113-F146 HydrophobicContact CB-CZ 3.93Å; L113-F146 HydrophobicContact CD1-CB 4.39Å; L113-F146 HydrophobicContact CD1-CD2 4.41Å; L113-F146 HydrophobicContact CD1-CG 4.21Å; L113-F146 HydrophobicContact CD2-CD1 3.79Å; L113-F146 HydrophobicContact CD2-CE1 3.92Å; L113-F146 HydrophobicContact CD2-CG 4.24Å; L113-F146 HydrophobicContact CD2-CZ 4.46Å; L113-F146 WeakPolarHBondContact O-CZ 3.43Å; H117-F146 HydrophobicContact CB-CZ 3.93Å; L142-F146 WeakPolarHBondContact O-CB 3.38Å; L142-F146 PolarHBondContact O-N 2.7Å; I143-F146 PolarHBondContact O-N 3.26Å; F146-K148 VanDerWaalsContact C-N 3.34Å; F146-K148 PolarHBondContact O-N 3.31Å; F146-E149 PolarHBondContact O-N 3.45Å; F146-H150 AromaticContact CD2-CE1 3.66Å; F146-H150 AromaticContact CD2-ND1 3.82Å; F146-H150 AromaticContact CE2-CE1 3.45Å; F146-H150 VanDerWaalsContact CE2-CE1 3.45Å; F146-H150 WeakPolarHBondContact CE2-CE1 3.23Å; F146-H150 AromaticContact CE2-ND1 3.74Å; F146-H150 AromaticContact CZ-ND1 3.97Å; F146-H150 PolarHBondContact O-N 3.41Å; F146-H150 PolarHBondContact O-ND1 3.37Å; F146-Y152 HydrophobicContact CE1-CD2 4.3Å; F146-Y152 HydrophobicContact CE1-CE2 4.19Å
147	A	97.5	Very high	97.2	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-62.9	-41.6	179.1	0	0	0	0	0	111.7	M44 I143 L144 Q145 H150 G151 Y152 V154	M44-A147 HydrophobicContact SD-CB 3.91Å; I143-A147 WeakPolarHBondContact O-CB 3.31Å; I143-A147 PolarHBondContact O-N 3.16Å; L144-A147 PolarHBondContact O-N 3.2Å; Q145-A147 PolarHBondContact O-N 3.08Å; A147-H150 CarbonylContact O-C 3.56Å; A147-H150 PolarHBondContact O-N 3.47Å; A147-G151 PolarHBondContact O-N 2.94Å; A147-Y152 PolarHBondContact O-N 3.31Å; A147-V154 HydrophobicContact CB-CG2 3.26Å
148	K	96.5	Very high	97.3	Very high	167 Å²	167	47 Å²	47	73%	0.726	23%	0.234	S	C	*	.	H	α-helix	trans	-61.9	-43.7	176.8	-176.3	-179	178.8	-177.5	0	112.2	L144 Q145 F146 H150 G151	L144-K148 VanDerWaalsContact O-CB 3.3Å; L144-K148 WeakPolarHBondContact O-CB 3.45Å; L144-K148 PolarHBondContact O-N 2.59Å; Q145-K148 PolarHBondContact O-N 2.96Å; F146-K148 VanDerWaalsContact C-N 3.34Å; F146-K148 PolarHBondContact O-N 3.31Å; K148-H150 PolarHBondContact O-N 3.43Å; K148-G151 PolarHBondContact O-N 3.35Å
149	E	97.1	Very high	97.3	Very high	126 Å²	126	40.1 Å²	40.1	59%	0.589	20%	0.202	S	C	*	.	H	α-helix	trans	-61.3	-30.9	178.6	-75.8	168.4	-171.6	0	0	112.8	Q145 F146	Q145-E149 WeakPolarHBondContact CG-OE1 3.35Å; Q145-E149 PolarHBondContact NE2-OE1 3.22Å; Q145-E149 WeakPolarHBondContact O-CG 3.49Å; Q145-E149 PolarHBondContact O-N 3.08Å; F146-E149 PolarHBondContact O-N 3.45Å
150	H	95.9	Very high	97.2	Very high	72 Å²	72	38.5 Å²	38.5	33%	0.333	20%	0.198	S	C	.	.	H	α-helix	trans	-103.5	1.3	-178.7	-60.4	88.4	0	0	0	114	H117 F146 A147 K148 Y152	H117-H150 AromaticContact CE1-CD2 3.37Å; H117-H150 PolarHBondContact CE1-CD2 3.22Å; H117-H150 AromaticContact CG-CD2 3.94Å; H117-H150 AromaticContact ND1-CD2 3.19Å; H117-H150 PolarHBondContact ND1-CD2 3.06Å; H117-H150 AromaticContact ND1-CG 3.86Å; H117-H150 AromaticContact ND1-NE2 3.85Å; F146-H150 AromaticContact CD2-CE1 3.66Å; F146-H150 AromaticContact CD2-ND1 3.82Å; F146-H150 AromaticContact CE2-CE1 3.45Å; F146-H150 VanDerWaalsContact CE2-CE1 3.45Å; F146-H150 WeakPolarHBondContact CE2-CE1 3.23Å; F146-H150 AromaticContact CE2-ND1 3.74Å; F146-H150 AromaticContact CZ-ND1 3.97Å; F146-H150 PolarHBondContact O-N 3.41Å; F146-H150 PolarHBondContact O-ND1 3.37Å; A147-H150 CarbonylContact O-C 3.56Å; A147-H150 PolarHBondContact O-N 3.47Å; K148-H150 PolarHBondContact O-N 3.43Å; H150-Y152 HydrophobicContact CB-CD2 3.65Å; H150-Y152 HydrophobicContact CB-CE1 4.23Å; H150-Y152 HydrophobicContact CB-CE2 3.31Å; H150-Y152 HydrophobicContact CB-CG 4.25Å; H150-Y152 AromaticContact CG-CE2 3.97Å
151	G	95.5	Very high	96.9	Very high	36 Å²	36	38.5 Å²	38.5	37%	0.371	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	27.9	179.7	0	0	0	0	0	114.8	S41 A147 K148	S41-G151 WeakPolarHBondContact CB-O 3.38Å; S41-G151 PolarHBondContact OG-O 3.42Å; A147-G151 PolarHBondContact O-N 2.94Å; K148-G151 PolarHBondContact O-N 3.35Å
152	Y	96.8	Very high	96.3	Very high	23 Å²	23	40.8 Å²	40.8	9%	0.09	21%	0.205	C	C	.	.			trans	-89.1	143.6	176.6	-54.9	-38.4	0	0	0	112	P42 M44 H117 L120 F146 A147 H150	P42-Y152 HydrophobicContact CB-CD1 4.12Å; P42-Y152 HydrophobicContact CB-CE1 4.41Å; P42-Y152 HydrophobicContact CG-CD1 4.33Å; P42-Y152 HydrophobicContact CG-CE1 4.33Å; P42-Y152 WeakPolarHBondContact O-CA 3.36Å; M44-Y152 HydrophobicContact CG-CD2 4.31Å; M44-Y152 HydrophobicContact SD-CD2 3.7Å; M44-Y152 HydrophobicContact SD-CG 4.33Å; H117-Y152 PolarHBondContact CE1-OH 3.3Å; H117-Y152 AromaticContact ND1-CZ 3.77Å; H117-Y152 PolarHBondContact ND1-OH 2.9Å; L120-Y152 HydrophobicContact CB-CE1 3.94Å; L120-Y152 HydrophobicContact CD1-CD1 4.18Å; L120-Y152 HydrophobicContact CD1-CD2 4.14Å; L120-Y152 HydrophobicContact CD1-CE1 4.16Å; L120-Y152 HydrophobicContact CD1-CE2 4.12Å; L120-Y152 HydrophobicContact CD1-CG 4.17Å; F146-Y152 HydrophobicContact CE1-CD2 4.3Å; F146-Y152 HydrophobicContact CE1-CE2 4.19Å; A147-Y152 PolarHBondContact O-N 3.31Å; H150-Y152 HydrophobicContact CB-CD2 3.65Å; H150-Y152 HydrophobicContact CB-CE1 4.23Å; H150-Y152 HydrophobicContact CB-CE2 3.31Å; H150-Y152 HydrophobicContact CB-CG 4.25Å; H150-Y152 AromaticContact CG-CE2 3.97Å
153	K	97.3	Very high	95.9	Very high	36 Å²	36	41.1 Å²	41.1	16%	0.157	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	152.5	167.8	-66.7	171.7	-179.9	169.1	0	109.6	T39 P42 T43 M44 D234	T39-K153 PolarHBondContact O-NZ 2.85Å; P42-K153 PolarHBondContact O-N 2.86Å; T43-K153 WeakPolarHBondContact CA-O 3.31Å; T43-K153 HydrophobicContact CG2-CB 4.44Å; M44-K153 PolarHBondContact N-O 2.68Å; K153-D234 WeakPolarHBondContact CD-OD2 3.36Å; K153-D234 WeakPolarHBondContact CE-OD2 3.39Å; K153-D234 IonicContact NZ-OD2 2.69Å; K153-D234 PolarHBondContact NZ-OD2 3.47Å
154	V	98.3	Very high	95.3	Very high	14 Å²	14	45.6 Å²	45.6	9%	0.085	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.4	179.1	-178.1	0	0	0	0	109.6	M44 I46 L144 A147 F156	M44-V154 WeakPolarHBondContact O-CA 3.47Å; I46-V154 HydrophobicContact CG1-CG1 3.71Å; L144-V154 HydrophobicContact CD2-CB 4.07Å; L144-V154 HydrophobicContact CD2-CG1 4.05Å; L144-V154 HydrophobicContact CD2-CG2 4.12Å; A147-V154 HydrophobicContact CB-CG2 3.26Å; V154-F156 HydrophobicContact CG1-CD2 4.04Å; V154-F156 HydrophobicContact CG1-CE1 4.32Å; V154-F156 HydrophobicContact CG1-CE2 3.52Å; V154-F156 HydrophobicContact CG1-CZ 3.69Å
155	F	98.6	Very high	94.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	116	173.8	-171.5	-115.5	0	0	0	109.7	T43 M44 M45 I46 I157 S216 I218 Q237 T240	T43-F155 HydrophobicContact CG2-CB 4.33Å; M44-F155 PolarHBondContact O-N 3.24Å; M45-F155 CarbonylContact C-O 3.47Å; M45-F155 VanDerWaalsContact CA-O 3.28Å; M45-F155 WeakPolarHBondContact CA-O 2.95Å; I46-F155 PolarHBondContact N-O 2.9Å; F155-I157 HydrophobicContact CD1-CD1 4.48Å; F155-I157 HydrophobicContact CD1-CG1 4.04Å; F155-I157 HydrophobicContact CE1-CG1 4.11Å; F155-S216 WeakPolarHBondContact CA-O 3.17Å; F155-I218 HydrophobicContact CE1-CB 4.43Å; F155-I218 HydrophobicContact CE1-CG2 3.69Å; F155-I218 HydrophobicContact CZ-CB 4Å; F155-I218 HydrophobicContact CZ-CG2 3.77Å; F155-Q237 HydrophobicContact CB-CG 3.92Å; F155-Q237 HydrophobicContact CD1-CG 4.46Å; F155-Q237 HydrophobicContact CD2-CB 4.04Å; F155-Q237 HydrophobicContact CD2-CG 3.78Å; F155-Q237 HydrophobicContact CE2-CB 4.18Å; F155-Q237 HydrophobicContact CE2-CG 4.43Å; F155-Q237 HydrophobicContact CG-CB 4.29Å; F155-Q237 HydrophobicContact CG-CG 3.81Å; F155-T240 HydrophobicContact CD1-CG2 4.22Å; F155-T240 HydrophobicContact CE1-CG2 3.88Å
156	F	98.8	Very high	93.9	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	139.5	179.3	-60.6	-93.7	0	0	0	111.3	I46 V48 R140 L144 V154 L207 L215 S216 Y217 I218	I46-F156 HydrophobicContact CB-CD1 3.56Å; I46-F156 HydrophobicContact CB-CE1 3.82Å; I46-F156 HydrophobicContact CB-CG 4.33Å; I46-F156 HydrophobicContact CG1-CD1 4.24Å; I46-F156 HydrophobicContact CG1-CE1 4.11Å; I46-F156 HydrophobicContact CG2-CD1 3.74Å; I46-F156 HydrophobicContact CG2-CE1 3.77Å; I46-F156 WeakPolarHBondContact O-CA 3.28Å; V48-F156 HydrophobicContact CG2-CB 4.38Å; V48-F156 HydrophobicContact CG2-CD1 3.79Å; R140-F156 HydrophobicContact CB-CE1 4.02Å; R140-F156 HydrophobicContact CB-CZ 4.28Å; R140-F156 HydrophobicContact CG-CE1 3.88Å; L144-F156 HydrophobicContact CD1-CE2 4.46Å; L144-F156 HydrophobicContact CD1-CZ 4.13Å; L144-F156 HydrophobicContact CD2-CE2 4Å; L144-F156 HydrophobicContact CD2-CZ 4Å; L144-F156 HydrophobicContact CG-CE2 4.38Å; L144-F156 HydrophobicContact CG-CZ 3.94Å; V154-F156 HydrophobicContact CG1-CD2 4.04Å; V154-F156 HydrophobicContact CG1-CE1 4.32Å; V154-F156 HydrophobicContact CG1-CE2 3.52Å; V154-F156 HydrophobicContact CG1-CZ 3.69Å; F156-L207 HydrophobicContact CB-CD1 3.69Å; F156-L207 HydrophobicContact CG-CD1 4.38Å; F156-L215 HydrophobicContact CD2-CB 4.44Å; F156-L215 HydrophobicContact CD2-CD1 4.35Å; F156-L215 HydrophobicContact CE2-CB 4.39Å; F156-L215 HydrophobicContact CE2-CD1 3.84Å; F156-L215 HydrophobicContact CE2-CD2 4.41Å; F156-L215 HydrophobicContact CE2-CG 4.46Å; F156-L215 HydrophobicContact CZ-CD1 4.43Å; F156-S216 PolarHBondContact N-O 2.99Å; F156-Y217 CarbonylContact O-C 3.56Å; F156-Y217 WeakPolarHBondContact O-CA 3.46Å; F156-Y217 WeakPolarHBondContact O-CB 3.42Å; F156-I218 PolarHBondContact O-N 3.46Å
157	I	98.5	Very high	93.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	100.5	175	-57.2	168.3	0	0	0	107	M45 I46 M47 V48 I58 L62 F155 I218 I220 T240 L244	M45-I157 HydrophobicContact CB-CD1 4.25Å; M45-I157 HydrophobicContact SD-CD1 4.4Å; I46-I157 PolarHBondContact O-N 3.16Å; M47-I157 CarbonylContact C-O 3.51Å; M47-I157 WeakPolarHBondContact CA-O 3.34Å; M47-I157 HydrophobicContact CE-CB 4.04Å; M47-I157 HydrophobicContact CE-CG2 3.76Å; M47-I157 HydrophobicContact SD-CB 3.87Å; M47-I157 HydrophobicContact SD-CD1 4.07Å; M47-I157 HydrophobicContact SD-CG2 4.19Å; V48-I157 PolarHBondContact N-O 3.46Å; I58-I157 HydrophobicContact CG2-CG2 4.23Å; L62-I157 HydrophobicContact CD2-CD1 3.6Å; F155-I157 HydrophobicContact CD1-CD1 4.48Å; F155-I157 HydrophobicContact CD1-CG1 4.04Å; F155-I157 HydrophobicContact CE1-CG1 4.11Å; I157-I218 WeakPolarHBondContact CA-O 3.41Å; I157-I218 HydrophobicContact CB-CG2 4.22Å; I157-I218 HydrophobicContact CG1-CG2 3.89Å; I157-I218 HydrophobicContact CG2-CG2 4.1Å; I157-I220 HydrophobicContact CG2-CD1 4.13Å; I157-T240 HydrophobicContact CD1-CG2 4.04Å; I157-L244 HydrophobicContact CD1-CD1 4.1Å; I157-L244 HydrophobicContact CG1-CD1 4.27Å; I157-L244 HydrophobicContact CG2-CD1 3.97Å
158	E	98.3	Very high	92.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124	179.5	-172.3	170.6	-140.8	0	0	111	V48 I160 Y204 P206 L207 I218 K219 I220	V48-E158 HydrophobicContact CB-CB 3.92Å; V48-E158 HydrophobicContact CB-CG 3.94Å; V48-E158 HydrophobicContact CG1-CB 4.34Å; V48-E158 HydrophobicContact CG1-CG 3.89Å; V48-E158 WeakPolarHBondContact CG1-OE1 3.48Å; V48-E158 WeakPolarHBondContact O-CA 3.37Å; E158-I160 HydrophobicContact CG-CD1 4.17Å; E158-I160 HydrophobicContact CG-CG1 3.91Å; E158-Y204 WeakPolarHBondContact OE1-CE2 3.23Å; E158-Y204 PolarHBondContact OE1-OH 3.37Å; E158-P206 VanDerWaalsContact OE1-CA 3.26Å; E158-P206 WeakPolarHBondContact OE1-CA 3.48Å; E158-L207 HydrophobicContact CB-CD1 3.87Å; E158-L207 PolarHBondContact OE1-N 3.36Å; E158-L207 VanDerWaalsContact OE2-CB 3.28Å; E158-L207 WeakPolarHBondContact OE2-CB 3.26Å; E158-L207 PolarHBondContact OE2-N 2.84Å; E158-I218 PolarHBondContact N-O 2.94Å; E158-K219 HydrophobicContact CB-CG 4.2Å; E158-K219 CarbonylContact O-C 3.56Å; E158-K219 WeakPolarHBondContact O-CA 3.5Å; E158-K219 WeakPolarHBondContact OE2-CE 3.3Å; E158-K219 IonicContact OE2-NZ 3.92Å; E158-I220 PolarHBondContact O-N 2.76Å
159	S	95.6	Very high	91.9	Very high	8 Å²	8	43.7 Å²	43.7	6%	0.056	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.1	174.4	-174.7	0	0	0	0	110.5	V48 R53	V48-S159 PolarHBondContact O-N 3.2Å; R53-S159 WeakPolarHBondContact O-CB 3.47Å; R53-S159 PolarHBondContact O-OG 3.19Å
160	I	94.3	Very high	91.1	Very high	22 Å²	22	39.4 Å²	39.4	11%	0.113	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.2	-178	-56.2	173.8	0	0	0	107.1	E158 I220 F221 D222	E158-I160 HydrophobicContact CG-CD1 4.17Å; E158-I160 HydrophobicContact CG-CG1 3.91Å; I160-I220 PolarHBondContact N-O 2.8Å; I160-F221 HydrophobicContact CB-CD1 4.04Å; I160-F221 HydrophobicContact CB-CE1 4.4Å; I160-F221 HydrophobicContact CD1-CD1 4.07Å; I160-F221 HydrophobicContact CD1-CE1 3.54Å; I160-F221 HydrophobicContact CD1-CZ 4.09Å; I160-F221 HydrophobicContact CG2-CD1 4.14Å; I160-F221 HydrophobicContact CG2-CE1 4.46Å; I160-F221 CarbonylContact O-C 3.57Å; I160-F221 WeakPolarHBondContact O-CA 3.13Å; I160-D222 PolarHBondContact O-N 3.45Å
161	C	89.8	Confident	90.3	Very high	3 Å²	3	36 Å²	36	2%	0.02	21%	0.205	C	C	.	.			trans	-142.8	127	174.1	-178	0	0	0	0	107.7	R53 D222	R53-C161 WeakPolarHBondContact CD-O 3.21Å; R53-C161 PolarHBondContact NE-O 3.44Å; R53-C161 PolarHBondContact NH2-O 3.14Å; C161-D222 WeakPolarHBondContact CA-OD1 3.37Å
162	N	86.1	Confident	89.5	Confident	117 Å²	117	39.8 Å²	39.8	63%	0.626	21%	0.211	S	C	*	.			trans	-110.8	-3.7	177.9	-64.3	-32.6	0	0	0	112.6	P164 D222	N162-P164 VanDerWaalsContact O-CD 3.27Å; N162-P164 WeakPolarHBondContact O-CD 3.09Å; N162-D222 PolarHBondContact N-OD1 2.93Å; N162-D222 VanDerWaalsContact N-OD1 3.09Å
163	D	86.4	Confident	88.3	Confident	61 Å²	61	43.8 Å²	43.8	33%	0.326	23%	0.231	S	C	.	.			trans	-68.3	114.8	176.3	-172.8	-46.2	0	0	0	111.4	D165 I166 I167	D163-D165 VanDerWaalsContact C-N 3.33Å; D163-D165 PolarHBondContact O-N 3.11Å; D163-D165 WeakPolarHBondContact OD1-CA 3.36Å; D163-D165 WeakPolarHBondContact OD1-CB 3.45Å; D163-D165 PolarHBondContact OD1-N 3.48Å; D163-I166 HydrophobicContact CB-CB 4.09Å; D163-I166 HydrophobicContact CB-CD1 3.7Å; D163-I166 HydrophobicContact CB-CG1 4.03Å; D163-I166 PolarHBondContact O-N 3.26Å; D163-I166 PolarHBondContact OD1-N 3.17Å; D163-I166 VanDerWaalsContact OD1-N 3.14Å; D163-I167 VanDerWaalsContact O-CD1 3.27Å; D163-I167 WeakPolarHBondContact O-CD1 3.39Å; D163-I167 WeakPolarHBondContact O-CG1 3.47Å; D163-I167 PolarHBondContact O-N 2.98Å; D163-I167 VanDerWaalsContact O-N 3.13Å
164	P	85.4	Confident	87	Confident	94 Å²	94	43.3 Å²	43.3	61%	0.61	23%	0.231	S	C	*	.	H	α-helix	trans	-63.2	-33.5	-179.1	-22.4	34.8	0	0	0	114.1	N162 I167 A168	N162-P164 VanDerWaalsContact O-CD 3.27Å; N162-P164 WeakPolarHBondContact O-CD 3.09Å; P164-I167 PolarHBondContact O-N 3.47Å; P164-A168 WeakPolarHBondContact O-CB 3.31Å; P164-A168 PolarHBondContact O-N 3.42Å
165	D	84.9	Confident	85.8	Confident	129 Å²	129	44.7 Å²	44.7	69%	0.69	24%	0.235	S	C	*	.	H	α-helix	trans	-70.4	-42.8	-177.6	-67.4	-32.1	0	0	0	110	D163 I167 A168 E169	D163-D165 VanDerWaalsContact C-N 3.33Å; D163-D165 PolarHBondContact O-N 3.11Å; D163-D165 WeakPolarHBondContact OD1-CA 3.36Å; D163-D165 WeakPolarHBondContact OD1-CB 3.45Å; D163-D165 PolarHBondContact OD1-N 3.48Å; D165-I167 VanDerWaalsContact C-N 3.33Å; D165-I167 PolarHBondContact O-N 2.84Å; D165-A168 PolarHBondContact O-N 3.38Å; D165-E169 WeakPolarHBondContact O-CB 3.45Å; D165-E169 PolarHBondContact O-N 3.02Å
166	I	82.3	Confident	84.2	Confident	45 Å²	45	47.2 Å²	47.2	23%	0.231	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-42.1	173.5	-67.8	170.8	0	0	0	110.9	D163 E169 N170 V223	D163-I166 HydrophobicContact CB-CB 4.09Å; D163-I166 HydrophobicContact CB-CD1 3.7Å; D163-I166 HydrophobicContact CB-CG1 4.03Å; D163-I166 PolarHBondContact O-N 3.26Å; D163-I166 PolarHBondContact OD1-N 3.17Å; D163-I166 VanDerWaalsContact OD1-N 3.14Å; I166-E169 PolarHBondContact O-N 2.79Å; I166-N170 WeakPolarHBondContact O-CB 3.49Å; I166-N170 PolarHBondContact O-N 2.89Å; I166-N170 PolarHBondContact O-ND2 3.45Å; I166-V223 HydrophobicContact CD1-CG2 3.69Å; I166-V223 HydrophobicContact CG1-CG2 4.48Å; I166-V223 HydrophobicContact CG2-CG2 3.64Å
167	I	84.8	Confident	82.6	Confident	17 Å²	17	50.6 Å²	50.6	9%	0.087	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-46.8	179.5	-66.1	161.5	0	0	0	110.2	A52 D163 P164 D165 E169 N170 I171 I197	A52-I167 HydrophobicContact CB-CG2 4.27Å; D163-I167 VanDerWaalsContact O-CD1 3.27Å; D163-I167 WeakPolarHBondContact O-CD1 3.39Å; D163-I167 WeakPolarHBondContact O-CG1 3.47Å; D163-I167 PolarHBondContact O-N 2.98Å; D163-I167 VanDerWaalsContact O-N 3.13Å; P164-I167 PolarHBondContact O-N 3.47Å; D165-I167 VanDerWaalsContact C-N 3.33Å; D165-I167 PolarHBondContact O-N 2.84Å; I167-E169 VanDerWaalsContact C-N 3.35Å; I167-E169 PolarHBondContact O-N 2.95Å; I167-N170 PolarHBondContact O-N 2.85Å; I167-I171 HydrophobicContact CG2-CD1 3.96Å; I167-I171 VanDerWaalsContact O-CG1 3.27Å; I167-I171 WeakPolarHBondContact O-CG1 3.14Å; I167-I171 PolarHBondContact O-N 3.38Å; I167-I197 HydrophobicContact CG2-CD1 4.2Å
168	A	83.1	Confident	81.5	Confident	30 Å²	30	51.2 Å²	51.2	25%	0.248	29%	0.288	C	S	.	.	H	α-helix	trans	-60.6	-44.2	177.9	0	0	0	0	0	111.5	P164 D165 I171 K172	P164-A168 WeakPolarHBondContact O-CB 3.31Å; P164-A168 PolarHBondContact O-N 3.42Å; D165-A168 PolarHBondContact O-N 3.38Å; A168-I171 PolarHBondContact O-N 3.01Å; A168-K172 WeakPolarHBondContact O-CG 3.42Å; A168-K172 PolarHBondContact O-N 2.87Å
169	E	81.2	Confident	80.4	Confident	84 Å²	84	55 Å²	55	39%	0.393	31%	0.313	S	S	.	.	H	α-helix	trans	-64.6	-42.6	177.8	-170.7	58.7	-157.5	0	0	111.8	D165 I166 I167 I171 K172 Q173	D165-E169 WeakPolarHBondContact O-CB 3.45Å; D165-E169 PolarHBondContact O-N 3.02Å; I166-E169 PolarHBondContact O-N 2.79Å; I167-E169 VanDerWaalsContact C-N 3.35Å; I167-E169 PolarHBondContact O-N 2.95Å; E169-I171 VanDerWaalsContact C-N 3.29Å; E169-I171 PolarHBondContact O-N 2.8Å; E169-K172 PolarHBondContact O-N 3.39Å; E169-Q173 HydrophobicContact CG-CG 4.3Å; E169-Q173 WeakPolarHBondContact O-CG 3.49Å; E169-Q173 PolarHBondContact O-N 3.29Å; E169-Q173 VanDerWaalsContact OE1-CG 3.31Å; E169-Q173 WeakPolarHBondContact OE1-CG 3.39Å; E169-Q173 PolarHBondContact OE1-NE2 3.4Å
170	N	81.3	Confident	79.6	Confident	35 Å²	35	55.6 Å²	55.6	19%	0.187	32%	0.315	C	S	.	.	H	α-helix	trans	-60.3	-38.2	174.4	-76.7	-26.4	0	0	0	112.2	A52 I166 I167 V174	A52-N170 HydrophobicContact CB-CB 4.32Å; A52-N170 PolarHBondContact O-ND2 3.35Å; I166-N170 WeakPolarHBondContact O-CB 3.49Å; I166-N170 PolarHBondContact O-N 2.89Å; I166-N170 PolarHBondContact O-ND2 3.45Å; I167-N170 PolarHBondContact O-N 2.85Å; N170-V174 VanDerWaalsContact O-CB 3.28Å; N170-V174 WeakPolarHBondContact O-CB 3.48Å; N170-V174 PolarHBondContact O-N 2.95Å
171	I	80	Confident	78.9	Confident	1 Å²	1	55 Å²	55	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-66	-47.1	175.7	-66	166	0	0	0	109.7	A52 I167 A168 E169 K175 L176 L190 F193 L194 I197	A52-I171 HydrophobicContact CB-CD1 4.31Å; A52-I171 HydrophobicContact CB-CG1 3.67Å; I167-I171 HydrophobicContact CG2-CD1 3.96Å; I167-I171 VanDerWaalsContact O-CG1 3.27Å; I167-I171 WeakPolarHBondContact O-CG1 3.14Å; I167-I171 PolarHBondContact O-N 3.38Å; A168-I171 PolarHBondContact O-N 3.01Å; E169-I171 VanDerWaalsContact C-N 3.29Å; E169-I171 PolarHBondContact O-N 2.8Å; I171-K175 HydrophobicContact CG2-CB 4.23Å; I171-K175 WeakPolarHBondContact O-CA 3.24Å; I171-K175 VanDerWaalsContact O-CB 3.28Å; I171-K175 WeakPolarHBondContact O-CB 3.46Å; I171-K175 PolarHBondContact O-N 2.6Å; I171-L176 PolarHBondContact O-N 2.9Å; I171-L190 HydrophobicContact CB-CD1 4.21Å; I171-L190 HydrophobicContact CD1-CD1 3.83Å; I171-L190 HydrophobicContact CG2-CD1 3.78Å; I171-F193 HydrophobicContact CD1-CD1 3.76Å; I171-F193 HydrophobicContact CD1-CE1 4.47Å; I171-F193 HydrophobicContact CG1-CD1 3.69Å; I171-F193 HydrophobicContact CG1-CE1 4.09Å; I171-F193 HydrophobicContact CG1-CG 4.4Å; I171-F193 HydrophobicContact CG2-CB 4.37Å; I171-F193 HydrophobicContact CG2-CG 4.45Å; I171-L194 HydrophobicContact CD1-CD2 4.32Å; I171-I197 HydrophobicContact CD1-CD1 4.3Å
172	K	78.1	Confident	78.1	Confident	115 Å²	115	60.3 Å²	60.3	50%	0.5	34%	0.339	S	S	.	.	H	α-helix	trans	-60.1	-52.1	179.6	-72.3	175.4	-175.8	176.1	0	112.4	A168 E169 V174 L176	A168-K172 WeakPolarHBondContact O-CG 3.42Å; A168-K172 PolarHBondContact O-N 2.87Å; E169-K172 PolarHBondContact O-N 3.39Å; K172-V174 PolarHBondContact O-N 2.96Å; K172-L176 HydrophobicContact CB-CD1 4.13Å; K172-L176 HydrophobicContact CG-CD1 4.27Å; K172-L176 WeakPolarHBondContact O-CB 3.12Å; K172-L176 WeakPolarHBondContact O-CD1 3.36Å; K172-L176 WeakPolarHBondContact O-CG 3.47Å
173	Q	70.4	Confident	77.4	Confident	108 Å²	108	62.8 Å²	62.8	51%	0.505	35%	0.352	S	S	.	.	H	α-helix	trans	-69.1	-35.5	-174.6	-69	-168.8	4.1	0	0	113.4	E169	E169-Q173 HydrophobicContact CG-CG 4.3Å; E169-Q173 WeakPolarHBondContact O-CG 3.49Å; E169-Q173 PolarHBondContact O-N 3.29Å; E169-Q173 VanDerWaalsContact OE1-CG 3.31Å; E169-Q173 WeakPolarHBondContact OE1-CG 3.39Å; E169-Q173 PolarHBondContact OE1-NE2 3.4Å
174	V	70.8	Confident	76.9	Confident	26 Å²	26	63.1 Å²	63.1	16%	0.158	36%	0.359	C	S	.	.	H	α-helix	trans	-111.1	-31.2	-166	175.6	0	0	0	0	113.2	N170 K172 A429 Y430	N170-V174 VanDerWaalsContact O-CB 3.28Å; N170-V174 WeakPolarHBondContact O-CB 3.48Å; N170-V174 PolarHBondContact O-N 2.95Å; K172-V174 PolarHBondContact O-N 2.96Å; V174-A429 HydrophobicContact CG2-CB 3.62Å; V174-Y430 HydrophobicContact CB-CE2 4.46Å; V174-Y430 HydrophobicContact CG1-CE2 3.73Å; V174-Y430 WeakPolarHBondContact CG1-OH 3.03Å; V174-Y430 HydrophobicContact CG2-CE2 4.38Å
175	K	72.8	Confident	76.6	Confident	42 Å²	42	63 Å²	63	18%	0.183	35%	0.353	C	S	.	.	H	α-helix	trans	-101.7	-25.3	-170	-56.6	-58.6	176.4	-161.2	0	113.7	I171 G177 S178 Y181 F193	I171-K175 HydrophobicContact CG2-CB 4.23Å; I171-K175 WeakPolarHBondContact O-CA 3.24Å; I171-K175 VanDerWaalsContact O-CB 3.28Å; I171-K175 WeakPolarHBondContact O-CB 3.46Å; I171-K175 PolarHBondContact O-N 2.6Å; K175-G177 PolarHBondContact O-N 3.38Å; K175-S178 WeakPolarHBondContact O-CB 3.02Å; K175-S178 PolarHBondContact O-N 3.02Å; K175-S178 VanDerWaalsContact O-N 3.07Å; K175-Y181 WeakPolarHBondContact O-CD2 3.34Å; K175-F193 HydrophobicContact CB-CD2 4.31Å; K175-F193 HydrophobicContact CB-CE2 4.3Å; K175-F193 HydrophobicContact CD-CE2 3.77Å; K175-F193 HydrophobicContact CD-CZ 4.02Å; K175-F193 HydrophobicContact CG-CD2 4.15Å; K175-F193 HydrophobicContact CG-CE1 4.43Å; K175-F193 HydrophobicContact CG-CE2 3.7Å; K175-F193 HydrophobicContact CG-CZ 3.85Å
176	L	66.4	Low	76.3	Confident	53 Å²	53	63.1 Å²	63.1	28%	0.277	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-30.9	171.8	-65.4	178.8	0	0	0	112.7	I171 K172 Q186 V189	I171-L176 PolarHBondContact O-N 2.9Å; K172-L176 HydrophobicContact CB-CD1 4.13Å; K172-L176 HydrophobicContact CG-CD1 4.27Å; K172-L176 WeakPolarHBondContact O-CB 3.12Å; K172-L176 WeakPolarHBondContact O-CD1 3.36Å; K172-L176 WeakPolarHBondContact O-CG 3.47Å; L176-Q186 HydrophobicContact CD1-CG 4.27Å; L176-Q186 HydrophobicContact CD2-CB 4.1Å; L176-Q186 HydrophobicContact CD2-CG 4.06Å; L176-V189 HydrophobicContact CD2-CB 3.97Å; L176-V189 HydrophobicContact CD2-CG1 3.88Å; L176-V189 HydrophobicContact CD2-CG2 4.47Å
177	G	65	Low	76.3	Confident	73 Å²	73	68.4 Å²	68.4	75%	0.753	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	8	173.8	0	0	0	0	0	114.9	K175	K175-G177 PolarHBondContact O-N 3.38Å
178	S	74.9	Confident	76.2	Confident	12 Å²	12	74.3 Å²	74.3	8%	0.084	40%	0.398	C	S	.	.	S	Bend	trans	-74.7	141.8	-176.9	178.6	0	0	0	0	111.3	K175 D180 Y181	K175-S178 WeakPolarHBondContact O-CB 3.02Å; K175-S178 PolarHBondContact O-N 3.02Å; K175-S178 VanDerWaalsContact O-N 3.07Å; S178-D180 PolarHBondContact O-N 3.33Å; S178-D180 PolarHBondContact OG-N 3.2Å; S178-Y181 PolarHBondContact O-N 3.37Å
179	P	75.9	Confident	76.2	Confident	81 Å²	81	73 Å²	73	53%	0.526	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-58.5	-18.4	172.5	-24.1	33.5	0	0	0	114.5	Y181 I182	P179-Y181 PolarHBondContact O-N 2.95Å; P179-I182 HydrophobicContact CB-CD1 4.3Å; P179-I182 WeakPolarHBondContact O-CD1 3.4Å; P179-I182 WeakPolarHBondContact O-CG1 3.37Å
180	D	77.4	Confident	76.3	Confident	19 Å²	19	71.6 Å²	71.6	10%	0.102	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-68.4	-21.4	175.2	-70.5	-35.5	0	0	0	112.9	R82 R83 Y88 S178 R196	R82-D180 IonicContact CZ-OD1 2.72Å; R82-D180 VanDerWaalsContact CZ-OD1 3.29Å; R82-D180 IonicContact CZ-OD2 2.91Å; R82-D180 IonicContact NH1-OD1 2.68Å; R82-D180 PolarHBondContact NH1-OD1 3.02Å; R82-D180 IonicContact NH1-OD2 2.88Å; R82-D180 VanDerWaalsContact NH2-CG 3.28Å; R82-D180 IonicContact NH2-OD1 2.77Å; R82-D180 PolarHBondContact NH2-OD1 3.13Å; R82-D180 IonicContact NH2-OD2 3.87Å; R82-D180 PolarHBondContact NH2-OD2 3.13Å; R83-D180 WeakPolarHBondContact CD-OD1 3.48Å; R83-D180 WeakPolarHBondContact CG-OD1 3.34Å; R83-D180 IonicContact NH1-OD2 2.75Å; Y88-D180 HydrophobicContact CD1-CB 3.82Å; Y88-D180 VanDerWaalsContact CD1-O 3.32Å; Y88-D180 WeakPolarHBondContact CD1-O 3.47Å; Y88-D180 HydrophobicContact CE1-CB 4.47Å; Y88-D180 HydrophobicContact CG-CB 4.09Å; S178-D180 PolarHBondContact O-N 3.33Å; S178-D180 PolarHBondContact OG-N 3.2Å; D180-R196 IonicContact OD2-NH1 3.96Å
181	Y	79.7	Confident	76.5	Confident	11 Å²	11	75 Å²	75	4%	0.043	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-124.5	25.6	-169.7	-64.6	-69.1	0	0	0	112.9	Y88 K175 S178 P179 D183 C184 V189 D192 F193	Y88-Y181 HydrophobicContact CD1-CE1 4.39Å; Y88-Y181 HydrophobicContact CE1-CD1 4.4Å; Y88-Y181 AromaticContact CE1-CE1 3.64Å; Y88-Y181 HydrophobicContact CE1-CE1 3.64Å; Y88-Y181 AromaticContact CE1-CZ 3.75Å; Y88-Y181 PolarHBondContact OH-OH 3.38Å; K175-Y181 WeakPolarHBondContact O-CD2 3.34Å; S178-Y181 PolarHBondContact O-N 3.37Å; P179-Y181 PolarHBondContact O-N 2.95Å; Y181-D183 PolarHBondContact O-N 2.99Å; Y181-C184 WeakPolarHBondContact O-CB 3.25Å; Y181-C184 PolarHBondContact O-N 3.14Å; Y181-V189 HydrophobicContact CD1-CB 4.12Å; Y181-V189 HydrophobicContact CD1-CG1 3.73Å; Y181-V189 HydrophobicContact CD1-CG2 3.7Å; Y181-V189 HydrophobicContact CD2-CG1 3.76Å; Y181-V189 HydrophobicContact CE1-CG1 4.05Å; Y181-V189 HydrophobicContact CE2-CG1 4.13Å; Y181-V189 HydrophobicContact CG-CB 4.3Å; Y181-V189 HydrophobicContact CG-CG1 3.57Å; Y181-V189 HydrophobicContact CG-CG2 3.84Å; Y181-D192 HydrophobicContact CE1-CB 4.25Å; Y181-D192 VanDerWaalsContact CE1-OD2 3.23Å; Y181-D192 WeakPolarHBondContact CE1-OD2 3.49Å; Y181-D192 PolarHBondContact OH-OD2 2.83Å; Y181-F193 AromaticContact CE2-CD2 3.84Å; Y181-F193 HydrophobicContact CE2-CD2 3.84Å; Y181-F193 HydrophobicContact CE2-CE2 4.42Å; Y181-F193 AromaticContact CZ-CD2 3.95Å; Y181-F193 WeakPolarHBondContact OH-CD2 3.45Å
182	I	73.9	Confident	76.9	Confident	114 Å²	114	76 Å²	76	59%	0.585	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	134.1	175.2	-60.5	169.7	0	0	0	108.5	P179 C184	P179-I182 HydrophobicContact CB-CD1 4.3Å; P179-I182 WeakPolarHBondContact O-CD1 3.4Å; P179-I182 WeakPolarHBondContact O-CG1 3.37Å; I182-C184 PolarHBondContact O-N 2.99Å; I182-C184 VanDerWaalsContact O-N 3.13Å
183	D	71.4	Confident	77.4	Confident	168 Å²	168	70.6 Å²	70.6	90%	0.898	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	16.7	-179.7	-52	-38.1	0	0	0	116	Y181	Y181-D183 PolarHBondContact O-N 2.99Å
184	C	74.4	Confident	78.3	Confident	69 Å²	69	69.1 Å²	69.1	47%	0.466	37%	0.374	S	S	.	.			trans	-93.6	140.3	174.5	-65.3	0	0	0	0	111.7	Y181 I182 V189	Y181-C184 WeakPolarHBondContact O-CB 3.25Å; Y181-C184 PolarHBondContact O-N 3.14Å; I182-C184 PolarHBondContact O-N 2.99Å; I182-C184 VanDerWaalsContact O-N 3.13Å; C184-V189 HydrophobicContact CB-CG2 3.47Å; C184-V189 VanDerWaalsContact CB-CG2 3.47Å
185	D	80.9	Confident	79.3	Confident	91 Å²	91	70.9 Å²	70.9	49%	0.487	38%	0.379	S	S	.	.			trans	-67.2	142.7	174.7	-179	38	0	0	0	111.8	E187 K188 V189	D185-E187 VanDerWaalsContact C-N 3.3Å; D185-E187 PolarHBondContact O-N 2.8Å; D185-K188 HydrophobicContact CB-CD 4.35Å; D185-K188 HydrophobicContact CB-CG 4.36Å; D185-K188 PolarHBondContact O-N 3.02Å; D185-V189 WeakPolarHBondContact O-CG2 3.36Å; D185-V189 PolarHBondContact O-N 3.38Å
186	Q	77.9	Confident	80.2	Confident	132 Å²	132	70.3 Å²	70.3	62%	0.617	38%	0.376	S	S	*	.	H	α-helix	trans	-58.9	-39.8	-170.4	-66.9	-171.1	-12.2	0	0	112.7	L176 V189 L190	L176-Q186 HydrophobicContact CD1-CG 4.27Å; L176-Q186 HydrophobicContact CD2-CB 4.1Å; L176-Q186 HydrophobicContact CD2-CG 4.06Å; Q186-V189 PolarHBondContact O-N 3.43Å; Q186-L190 PolarHBondContact O-N 2.85Å; Q186-L190 VanDerWaalsContact O-N 3.08Å
187	E	82.1	Confident	81.4	Confident	155 Å²	155	68.1 Å²	68.1	72%	0.724	36%	0.364	S	S	*	.	H	α-helix	trans	-65.4	-42.2	178.4	-66.8	-174.1	171.2	0	0	111.3	D185 V189 L190 E191	D185-E187 VanDerWaalsContact C-N 3.3Å; D185-E187 PolarHBondContact O-N 2.8Å; E187-V189 PolarHBondContact O-N 2.93Å; E187-L190 PolarHBondContact O-N 2.78Å; E187-E191 PolarHBondContact O-N 3.2Å
188	K	82.9	Confident	82.7	Confident	142 Å²	142	70.2 Å²	70.2	62%	0.617	35%	0.354	S	S	*	.	H	α-helix	trans	-66.8	-36.4	177.1	-65.8	-176.1	-178.8	176.5	0	112.5	D185 E191 D192	D185-K188 HydrophobicContact CB-CD 4.35Å; D185-K188 HydrophobicContact CB-CG 4.36Å; D185-K188 PolarHBondContact O-N 3.02Å; K188-E191 PolarHBondContact O-N 3.41Å; K188-D192 WeakPolarHBondContact O-CB 3.41Å; K188-D192 PolarHBondContact O-N 3.37Å
189	V	82.6	Confident	83.5	Confident	2 Å²	2	70 Å²	70	1%	0.012	35%	0.353	C	S	.	.	H	α-helix	trans	-63.3	-44.9	174.8	175.3	0	0	0	0	110.5	L176 Y181 C184 D185 Q186 E187 F193	L176-V189 HydrophobicContact CD2-CB 3.97Å; L176-V189 HydrophobicContact CD2-CG1 3.88Å; L176-V189 HydrophobicContact CD2-CG2 4.47Å; Y181-V189 HydrophobicContact CD1-CB 4.12Å; Y181-V189 HydrophobicContact CD1-CG1 3.73Å; Y181-V189 HydrophobicContact CD1-CG2 3.7Å; Y181-V189 HydrophobicContact CD2-CG1 3.76Å; Y181-V189 HydrophobicContact CE1-CG1 4.05Å; Y181-V189 HydrophobicContact CE2-CG1 4.13Å; Y181-V189 HydrophobicContact CG-CB 4.3Å; Y181-V189 HydrophobicContact CG-CG1 3.57Å; Y181-V189 HydrophobicContact CG-CG2 3.84Å; C184-V189 HydrophobicContact CB-CG2 3.47Å; C184-V189 VanDerWaalsContact CB-CG2 3.47Å; D185-V189 WeakPolarHBondContact O-CG2 3.36Å; D185-V189 PolarHBondContact O-N 3.38Å; Q186-V189 PolarHBondContact O-N 3.43Å; E187-V189 PolarHBondContact O-N 2.93Å; V189-F193 VanDerWaalsContact O-CB 3.23Å; V189-F193 WeakPolarHBondContact O-CB 3.45Å; V189-F193 PolarHBondContact O-N 3.42Å
190	L	83.1	Confident	84.2	Confident	55 Å²	55	67.4 Å²	67.4	29%	0.288	33%	0.333	S	S	.	.	H	α-helix	trans	-61.8	-47.4	177.7	-177.9	62.5	0	0	0	110.9	I171 Q186 E187 F193 L194	I171-L190 HydrophobicContact CB-CD1 4.21Å; I171-L190 HydrophobicContact CD1-CD1 3.83Å; I171-L190 HydrophobicContact CG2-CD1 3.78Å; Q186-L190 PolarHBondContact O-N 2.85Å; Q186-L190 VanDerWaalsContact O-N 3.08Å; E187-L190 PolarHBondContact O-N 2.78Å; L190-F193 PolarHBondContact O-N 2.95Å; L190-L194 HydrophobicContact CD1-CD1 4.33Å; L190-L194 HydrophobicContact CD1-CG 4.35Å; L190-L194 HydrophobicContact CG-CD1 4.13Å; L190-L194 VanDerWaalsContact O-CG 3.29Å; L190-L194 WeakPolarHBondContact O-CG 3.4Å; L190-L194 PolarHBondContact O-N 3.41Å
191	E	86.5	Confident	85	Confident	105 Å²	105	70.9 Å²	70.9	49%	0.491	35%	0.349	S	S	.	.	H	α-helix	trans	-60.8	-48.7	179	-166.6	-167.1	156.1	0	0	112.4	E187 K188 F193 L194 K195	E187-E191 PolarHBondContact O-N 3.2Å; K188-E191 PolarHBondContact O-N 3.41Å; E191-F193 VanDerWaalsContact C-N 3.31Å; E191-F193 PolarHBondContact O-N 3.24Å; E191-L194 PolarHBondContact O-N 3.22Å; E191-K195 WeakPolarHBondContact O-CG 3.34Å; E191-K195 PolarHBondContact O-N 2.9Å; E191-K195 VanDerWaalsContact O-N 3.11Å; E191-K195 IonicContact OE1-NZ 3.72Å; E191-K195 PolarHBondContact OE1-NZ 2.93Å
192	D	88.4	Confident	85.5	Confident	22 Å²	22	76 Å²	76	12%	0.118	38%	0.375	C	S	.	.	H	α-helix	trans	-60.2	-41.9	176.4	179	80.3	0	0	0	111.6	Y88 N90 Y91 Y181 K188 K195 R196	Y88-D192 WeakPolarHBondContact CE1-OD2 3.32Å; Y88-D192 PolarHBondContact OH-OD2 3.19Å; N90-D192 VanDerWaalsContact CA-OD1 3.26Å; N90-D192 WeakPolarHBondContact CA-OD1 3.4Å; Y91-D192 PolarHBondContact N-OD1 3.37Å; Y181-D192 HydrophobicContact CE1-CB 4.25Å; Y181-D192 VanDerWaalsContact CE1-OD2 3.23Å; Y181-D192 WeakPolarHBondContact CE1-OD2 3.49Å; Y181-D192 PolarHBondContact OH-OD2 2.83Å; K188-D192 WeakPolarHBondContact O-CB 3.41Å; K188-D192 PolarHBondContact O-N 3.37Å; D192-K195 PolarHBondContact O-N 3.44Å; D192-R196 WeakPolarHBondContact O-CB 3.28Å; D192-R196 PolarHBondContact O-N 3.24Å
193	F	87.6	Confident	86.3	Confident	3 Å²	3	74.2 Å²	74.2	1%	0.013	37%	0.367	C	S	.	.	H	α-helix	trans	-71.1	-34.4	-178.1	-156.1	-84.6	0	0	0	112.6	P51 A52 I171 K175 Y181 V189 L190 E191 R196 I197	P51-F193 HydrophobicContact CB-CE1 3.68Å; P51-F193 HydrophobicContact CB-CZ 3.68Å; A52-F193 HydrophobicContact CB-CD1 4.42Å; A52-F193 HydrophobicContact CB-CE1 3.65Å; A52-F193 HydrophobicContact CB-CZ 4.45Å; I171-F193 HydrophobicContact CD1-CD1 3.76Å; I171-F193 HydrophobicContact CD1-CE1 4.47Å; I171-F193 HydrophobicContact CG1-CD1 3.69Å; I171-F193 HydrophobicContact CG1-CE1 4.09Å; I171-F193 HydrophobicContact CG1-CG 4.4Å; I171-F193 HydrophobicContact CG2-CB 4.37Å; I171-F193 HydrophobicContact CG2-CG 4.45Å; K175-F193 HydrophobicContact CB-CD2 4.31Å; K175-F193 HydrophobicContact CB-CE2 4.3Å; K175-F193 HydrophobicContact CD-CE2 3.77Å; K175-F193 HydrophobicContact CD-CZ 4.02Å; K175-F193 HydrophobicContact CG-CD2 4.15Å; K175-F193 HydrophobicContact CG-CE1 4.43Å; K175-F193 HydrophobicContact CG-CE2 3.7Å; K175-F193 HydrophobicContact CG-CZ 3.85Å; Y181-F193 AromaticContact CE2-CD2 3.84Å; Y181-F193 HydrophobicContact CE2-CD2 3.84Å; Y181-F193 HydrophobicContact CE2-CE2 4.42Å; Y181-F193 AromaticContact CZ-CD2 3.95Å; Y181-F193 WeakPolarHBondContact OH-CD2 3.45Å; V189-F193 VanDerWaalsContact O-CB 3.23Å; V189-F193 WeakPolarHBondContact O-CB 3.45Å; V189-F193 PolarHBondContact O-N 3.42Å; L190-F193 PolarHBondContact O-N 2.95Å; E191-F193 VanDerWaalsContact C-N 3.31Å; E191-F193 PolarHBondContact O-N 3.24Å; F193-R196 WeakPolarHBondContact O-CB 3.41Å; F193-R196 PolarHBondContact O-N 2.85Å; F193-I197 HydrophobicContact CD1-CD1 3.87Å; F193-I197 HydrophobicContact CD1-CG1 4.17Å; F193-I197 HydrophobicContact CE1-CD1 4Å; F193-I197 HydrophobicContact CE1-CG1 4.12Å; F193-I197 WeakPolarHBondContact O-CG1 3.45Å; F193-I197 PolarHBondContact O-N 3.4Å
194	L	88.9	Confident	87.5	Confident	77 Å²	77	68.4 Å²	68.4	40%	0.403	33%	0.333	S	S	.	.	H	α-helix	trans	-64	-48.9	172.8	-72.7	172	0	0	0	110.9	I171 L190 E191 R196 I197 E198	I171-L194 HydrophobicContact CD1-CD2 4.32Å; L190-L194 HydrophobicContact CD1-CD1 4.33Å; L190-L194 HydrophobicContact CD1-CG 4.35Å; L190-L194 HydrophobicContact CG-CD1 4.13Å; L190-L194 VanDerWaalsContact O-CG 3.29Å; L190-L194 WeakPolarHBondContact O-CG 3.4Å; L190-L194 PolarHBondContact O-N 3.41Å; E191-L194 PolarHBondContact O-N 3.22Å; L194-R196 VanDerWaalsContact C-N 3.25Å; L194-R196 PolarHBondContact O-N 3.39Å; L194-I197 WeakPolarHBondContact O-CA 3.45Å; L194-I197 WeakPolarHBondContact O-CB 3.48Å; L194-I197 PolarHBondContact O-N 3.08Å; L194-E198 PolarHBondContact O-N 3.35Å; L194-E198 VanDerWaalsContact O-N 3.07Å
195	K	91.9	Very high	88.6	Confident	63 Å²	63	69 Å²	69	27%	0.274	33%	0.329	S	S	.	.	H	α-helix	trans	-58.7	-38.2	174	-71.1	173.2	173.5	167.5	0	112.2	Y91 E191 D192 I197 E198 C199	Y91-K195 HydrophobicContact CD1-CB 3.94Å; Y91-K195 HydrophobicContact CD1-CD 3.94Å; Y91-K195 HydrophobicContact CD2-CB 3.71Å; Y91-K195 HydrophobicContact CE1-CB 4.33Å; Y91-K195 HydrophobicContact CE1-CD 3.63Å; Y91-K195 HydrophobicContact CE2-CB 4.08Å; Y91-K195 HydrophobicContact CE2-CD 4.32Å; Y91-K195 HydrophobicContact CG-CB 3.63Å; Y91-K195 HydrophobicContact CG-CD 4.44Å; E191-K195 WeakPolarHBondContact O-CG 3.34Å; E191-K195 PolarHBondContact O-N 2.9Å; E191-K195 VanDerWaalsContact O-N 3.11Å; E191-K195 IonicContact OE1-NZ 3.72Å; E191-K195 PolarHBondContact OE1-NZ 2.93Å; D192-K195 PolarHBondContact O-N 3.44Å; K195-I197 VanDerWaalsContact C-N 3.32Å; K195-I197 PolarHBondContact O-N 2.97Å; K195-E198 WeakPolarHBondContact O-CB 3.4Å; K195-E198 PolarHBondContact O-N 3.05Å; K195-C199 PolarHBondContact O-N 3.22Å; K195-C199 VanDerWaalsContact O-N 3.09Å; K195-C199 PolarHBondContact O-SG 3.06Å
196	R	91.6	Very high	89.4	Confident	30 Å²	30	67.1 Å²	67.1	11%	0.113	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-37.8	172.9	174.2	179.4	179	172.7	4.3	112.2	F94 D180 D192 F193 L194 C199 Y200	F94-R196 HydrophobicContact CB-CG 4.48Å; F94-R196 HydrophobicContact CD2-CB 4.37Å; F94-R196 HydrophobicContact CD2-CG 3.55Å; F94-R196 VanDerWaalsContact CE2-CD 3.45Å; F94-R196 HydrophobicContact CE2-CG 4Å; F94-R196 HydrophobicContact CG-CG 4.13Å; D180-R196 IonicContact OD2-NH1 3.96Å; D192-R196 WeakPolarHBondContact O-CB 3.28Å; D192-R196 PolarHBondContact O-N 3.24Å; F193-R196 WeakPolarHBondContact O-CB 3.41Å; F193-R196 PolarHBondContact O-N 2.85Å; L194-R196 VanDerWaalsContact C-N 3.25Å; L194-R196 PolarHBondContact O-N 3.39Å; R196-C199 WeakPolarHBondContact O-CB 3.11Å; R196-C199 PolarHBondContact O-N 3.46Å; R196-Y200 HydrophobicContact CG-CE2 4.31Å; R196-Y200 VanDerWaalsContact O-CD2 3.26Å; R196-Y200 WeakPolarHBondContact O-CD2 3.38Å
197	I	91.8	Very high	90.3	Very high	7 Å²	7	60.9 Å²	60.9	4%	0.036	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-47.1	175.4	-70.7	163.8	0	0	0	109.8	P51 A52 I167 I171 F193 L194 K195 C199 Y200 E201	P51-I197 HydrophobicContact CB-CG1 3.89Å; P51-I197 HydrophobicContact CG-CG1 4.24Å; A52-I197 HydrophobicContact CB-CD1 4.32Å; I167-I197 HydrophobicContact CG2-CD1 4.2Å; I171-I197 HydrophobicContact CD1-CD1 4.3Å; F193-I197 HydrophobicContact CD1-CD1 3.87Å; F193-I197 HydrophobicContact CD1-CG1 4.17Å; F193-I197 HydrophobicContact CE1-CD1 4Å; F193-I197 HydrophobicContact CE1-CG1 4.12Å; F193-I197 WeakPolarHBondContact O-CG1 3.45Å; F193-I197 PolarHBondContact O-N 3.4Å; L194-I197 WeakPolarHBondContact O-CA 3.45Å; L194-I197 WeakPolarHBondContact O-CB 3.48Å; L194-I197 PolarHBondContact O-N 3.08Å; K195-I197 VanDerWaalsContact C-N 3.32Å; K195-I197 PolarHBondContact O-N 2.97Å; I197-C199 VanDerWaalsContact C-N 3.26Å; I197-C199 PolarHBondContact O-N 2.8Å; I197-Y200 PolarHBondContact O-N 3.34Å; I197-E201 HydrophobicContact CG2-CG 4.2Å; I197-E201 WeakPolarHBondContact CG2-OE1 3.5Å; I197-E201 PolarHBondContact O-N 2.78Å; I197-E201 VanDerWaalsContact O-N 3.08Å
198	E	92.4	Very high	91.1	Very high	116 Å²	116	56.3 Å²	56.3	54%	0.542	27%	0.273	S	S	.	.	H	α-helix	trans	-54.2	-41.4	177.6	-65.2	171.2	-176.1	0	0	111.6	L194 K195 Y200 E201 I202	L194-E198 PolarHBondContact O-N 3.35Å; L194-E198 VanDerWaalsContact O-N 3.07Å; K195-E198 WeakPolarHBondContact O-CB 3.4Å; K195-E198 PolarHBondContact O-N 3.05Å; E198-Y200 PolarHBondContact O-N 2.86Å; E198-E201 PolarHBondContact O-N 3.14Å; E198-E201 VanDerWaalsContact O-N 3.1Å; E198-I202 PolarHBondContact O-N 3.35Å
199	C	92	Very high	91.6	Very high	9 Å²	9	55.5 Å²	55.5	6%	0.061	27%	0.271	C	S	.	.	H	α-helix	trans	-55.4	-34.6	174.9	-66.7	0	0	0	0	113.7	F94 K195 R196 I197	F94-C199 HydrophobicContact CB-CB 4.13Å; K195-C199 PolarHBondContact O-N 3.22Å; K195-C199 VanDerWaalsContact O-N 3.09Å; K195-C199 PolarHBondContact O-SG 3.06Å; R196-C199 WeakPolarHBondContact O-CB 3.11Å; R196-C199 PolarHBondContact O-N 3.46Å; I197-C199 VanDerWaalsContact C-N 3.26Å; I197-C199 PolarHBondContact O-N 2.8Å
200	Y	91.6	Very high	92.2	Very high	25 Å²	25	63.1 Å²	63.1	10%	0.098	31%	0.307	C	S	.	.	H	α-helix	trans	-84.9	-28.3	178.2	-76.2	-85	0	0	0	112.8	P51 F94 R105 T133 R196 I197 E198 I202 N203 Y204	P51-Y200 HydrophobicContact CG-CD2 3.66Å; P51-Y200 HydrophobicContact CG-CE2 4.06Å; P51-Y200 HydrophobicContact CG-CG 4.29Å; F94-Y200 HydrophobicContact CB-CE2 4.04Å; F94-Y200 AromaticContact CD1-CE2 3.92Å; F94-Y200 HydrophobicContact CD1-CE2 3.92Å; F94-Y200 AromaticContact CD1-CZ 3.86Å; F94-Y200 WeakPolarHBondContact CD1-OH 3.36Å; F94-Y200 WeakPolarHBondContact CE1-OH 3.34Å; F94-Y200 HydrophobicContact CG-CE2 4.02Å; R105-Y200 PolarHBondContact NH1-OH 3.33Å; T133-Y200 HydrophobicContact CG2-CD1 4.07Å; T133-Y200 HydrophobicContact CG2-CE1 3.88Å; T133-Y200 VanDerWaalsContact OG1-CE1 3.31Å; T133-Y200 WeakPolarHBondContact OG1-CE1 3.39Å; R196-Y200 HydrophobicContact CG-CE2 4.31Å; R196-Y200 VanDerWaalsContact O-CD2 3.26Å; R196-Y200 WeakPolarHBondContact O-CD2 3.38Å; I197-Y200 PolarHBondContact O-N 3.34Å; E198-Y200 PolarHBondContact O-N 2.86Å; Y200-I202 VanDerWaalsContact C-N 3.32Å; Y200-I202 PolarHBondContact O-N 2.9Å; Y200-N203 PolarHBondContact O-N 2.83Å; Y200-Y204 WeakPolarHBondContact O-CB 3.19Å; Y200-Y204 PolarHBondContact O-N 2.86Å; Y200-Y204 VanDerWaalsContact O-N 3.16Å
201	E	92.7	Very high	92.8	Very high	93 Å²	93	65.3 Å²	65.3	44%	0.435	32%	0.318	S	S	.	.	H	α-helix	trans	-62.6	-38.5	179.8	-74.9	178.3	167.7	0	0	112	L50 I197 E198 N203 Y204	L50-E201 HydrophobicContact CD1-CG 3.64Å; L50-E201 HydrophobicContact CD2-CG 3.98Å; L50-E201 HydrophobicContact CG-CG 4.47Å; I197-E201 HydrophobicContact CG2-CG 4.2Å; I197-E201 WeakPolarHBondContact CG2-OE1 3.5Å; I197-E201 PolarHBondContact O-N 2.78Å; I197-E201 VanDerWaalsContact O-N 3.08Å; E198-E201 PolarHBondContact O-N 3.14Å; E198-E201 VanDerWaalsContact O-N 3.1Å; E201-N203 PolarHBondContact O-N 2.95Å; E201-Y204 PolarHBondContact O-N 3.07Å; E201-Y204 VanDerWaalsContact O-N 3.15Å
202	I	91.4	Very high	93.4	Very high	117 Å²	117	60.9 Å²	60.9	60%	0.6	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-38.9	179.8	-63.5	165.2	0	0	0	112.4	P96 E198 Y200	P96-I202 HydrophobicContact CG-CB 4.47Å; P96-I202 HydrophobicContact CG-CD1 4.02Å; P96-I202 HydrophobicContact CG-CG2 4.41Å; E198-I202 PolarHBondContact O-N 3.35Å; Y200-I202 VanDerWaalsContact C-N 3.32Å; Y200-I202 PolarHBondContact O-N 2.9Å
203	N	91.3	Very high	93.8	Very high	77 Å²	77	62.1 Å²	62.1	41%	0.412	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	14	-174.5	-64.6	-50.5	0	0	0	113	T136 Y200 E201 Q205	T136-N203 HydrophobicContact CG2-CB 4.29Å; Y200-N203 PolarHBondContact O-N 2.83Å; E201-N203 PolarHBondContact O-N 2.95Å; N203-Q205 PolarHBondContact O-N 2.89Å
204	Y	96.1	Very high	94.2	Very high	46 Å²	46	67.6 Å²	67.6	18%	0.18	33%	0.334	C	S	.	.			trans	-72.2	119	-178.4	-179.6	-152.3	0	0	0	110.5	L50 T135 E158 Y200 E201 P206	L50-Y204 HydrophobicContact CD1-CD1 3.97Å; L50-Y204 HydrophobicContact CD1-CE1 4.25Å; L50-Y204 HydrophobicContact CD2-CD1 3.88Å; L50-Y204 HydrophobicContact CD2-CG 4.02Å; L50-Y204 HydrophobicContact CG-CD1 3.76Å; L50-Y204 HydrophobicContact CG-CE1 4Å; L50-Y204 HydrophobicContact CG-CG 4.34Å; T135-Y204 HydrophobicContact CG2-CD2 3.56Å; T135-Y204 HydrophobicContact CG2-CE2 3.98Å; T135-Y204 HydrophobicContact CG2-CG 4.15Å; E158-Y204 WeakPolarHBondContact OE1-CE2 3.23Å; E158-Y204 PolarHBondContact OE1-OH 3.37Å; Y200-Y204 WeakPolarHBondContact O-CB 3.19Å; Y200-Y204 PolarHBondContact O-N 2.86Å; Y200-Y204 VanDerWaalsContact O-N 3.16Å; E201-Y204 PolarHBondContact O-N 3.07Å; E201-Y204 VanDerWaalsContact O-N 3.15Å; Y204-P206 HydrophobicContact CD1-CG 4.26Å; Y204-P206 HydrophobicContact CD2-CG 4.38Å; Y204-P206 HydrophobicContact CE1-CG 3.88Å; Y204-P206 HydrophobicContact CE2-CB 4.17Å; Y204-P206 HydrophobicContact CE2-CG 3.99Å; Y204-P206 HydrophobicContact CG-CG 4.5Å; Y204-P206 WeakPolarHBondContact O-CD 3.42Å
205	Q	97	Very high	94.6	Very high	81 Å²	81	64.5 Å²	64.5	38%	0.379	32%	0.318	S	S	.	.			trans	-114.4	94	173.5	-63.6	172.7	-38.4	0	0	107.7	T135 R137 R140 N203	T135-Q205 CarbonylContact O-C 3.6Å; T135-Q205 PolarHBondContact O-N 2.82Å; T135-Q205 VanDerWaalsContact O-O 3.12Å; R137-Q205 HydrophobicContact CG-CB 4.26Å; R140-Q205 PolarHBondContact NH1-O 3.41Å; R140-Q205 PolarHBondContact NH2-O 3.48Å; N203-Q205 PolarHBondContact O-N 2.89Å
206	P	97.3	Very high	94.9	Very high	53 Å²	53	61.7 Å²	61.7	34%	0.344	31%	0.306	S	S	.	.			trans	-55.9	162.5	177.9	-21.8	31.3	0	0	0	112.4	E158 Y204 D208	E158-P206 VanDerWaalsContact OE1-CA 3.26Å; E158-P206 WeakPolarHBondContact OE1-CA 3.48Å; Y204-P206 HydrophobicContact CD1-CG 4.26Å; Y204-P206 HydrophobicContact CD2-CG 4.38Å; Y204-P206 HydrophobicContact CE1-CG 3.88Å; Y204-P206 HydrophobicContact CE2-CB 4.17Å; Y204-P206 HydrophobicContact CE2-CG 3.99Å; Y204-P206 HydrophobicContact CG-CG 4.5Å; Y204-P206 WeakPolarHBondContact O-CD 3.42Å; P206-D208 PolarHBondContact O-N 2.94Å
207	L	97.9	Very high	95.3	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	30%	0.301	C	S	.	.			trans	-65.1	130.3	168.2	-66.1	169.9	0	0	0	109.3	F156 E158 D212 Y217 K219	F156-L207 HydrophobicContact CB-CD1 3.69Å; F156-L207 HydrophobicContact CG-CD1 4.38Å; E158-L207 HydrophobicContact CB-CD1 3.87Å; E158-L207 PolarHBondContact OE1-N 3.36Å; E158-L207 VanDerWaalsContact OE2-CB 3.28Å; E158-L207 WeakPolarHBondContact OE2-CB 3.26Å; E158-L207 PolarHBondContact OE2-N 2.84Å; L207-D212 HydrophobicContact CD2-CB 4.41Å; L207-Y217 HydrophobicContact CD1-CD1 4.32Å; L207-Y217 HydrophobicContact CD1-CD2 4.31Å; L207-Y217 HydrophobicContact CD1-CG 3.89Å; L207-K219 HydrophobicContact CB-CD 4.41Å; L207-K219 PolarHBondContact O-NZ 2.93Å
208	D	97.3	Very high	95.6	Very high	58 Å²	58	60.1 Å²	60.1	31%	0.31	30%	0.3	S	S	.	.			trans	-111.1	139.2	-171.8	-176.9	-95.5	0	0	0	111.7	P206 E210 L211 D212	P206-D208 PolarHBondContact O-N 2.94Å; D208-E210 VanDerWaalsContact C-N 3.32Å; D208-E210 PolarHBondContact O-N 2.74Å; D208-E210 PolarHBondContact OD1-N 3.32Å; D208-L211 HydrophobicContact CB-CB 4.09Å; D208-L211 WeakPolarHBondContact OD1-CB 3.43Å; D208-L211 WeakPolarHBondContact OD1-CG 3.28Å; D208-L211 PolarHBondContact OD1-N 3.07Å; D208-D212 PolarHBondContact N-OD2 2.92Å; D208-D212 WeakPolarHBondContact O-CA 3.4Å; D208-D212 WeakPolarHBondContact O-CB 3.43Å; D208-D212 PolarHBondContact O-N 2.73Å
209	E	94.1	Very high	95.8	Very high	125 Å²	125	55.6 Å²	55.6	58%	0.584	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-34.3	-174.3	-72	176.1	-126.6	0	0	112.9	S213 M228	E209-S213 WeakPolarHBondContact O-CA 3.37Å; E209-S213 WeakPolarHBondContact O-CB 3.46Å; E209-M228 HydrophobicContact CG-CE 3.31Å; E209-M228 HydrophobicContact CG-SD 3.65Å
210	E	95.4	Very high	96	Very high	162 Å²	162	55.5 Å²	55.5	76%	0.757	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-52.3	-177.6	-61.9	-174.8	173.1	0	0	110.7	D208 S213	D208-E210 VanDerWaalsContact C-N 3.32Å; D208-E210 PolarHBondContact O-N 2.74Å; D208-E210 PolarHBondContact OD1-N 3.32Å; E210-S213 VanDerWaalsContact O-CB 3.26Å; E210-S213 WeakPolarHBondContact O-CB 3.32Å; E210-S213 PolarHBondContact O-N 2.69Å; E210-S213 PolarHBondContact O-OG 3.05Å
211	L	96.5	Very high	96.1	Very high	101 Å²	101	55.3 Å²	55.3	53%	0.529	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-33.6	-172.5	-60.9	168.9	0	0	0	112	D208 H214	D208-L211 HydrophobicContact CB-CB 4.09Å; D208-L211 WeakPolarHBondContact OD1-CB 3.43Å; D208-L211 WeakPolarHBondContact OD1-CG 3.28Å; D208-L211 PolarHBondContact OD1-N 3.07Å; L211-H214 PolarHBondContact O-CE1 3.22Å
212	D	97.6	Very high	95.7	Very high	13 Å²	13	53.6 Å²	53.6	7%	0.07	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	15.9	177.2	-56.6	-64.3	0	0	0	112	R137 L207 D208 H214 L215 Y217	R137-D212 IonicContact NE-OD2 3.6Å; R137-D212 IonicContact NH2-OD2 3.98Å; L207-D212 HydrophobicContact CD2-CB 4.41Å; D208-D212 PolarHBondContact N-OD2 2.92Å; D208-D212 WeakPolarHBondContact O-CA 3.4Å; D208-D212 WeakPolarHBondContact O-CB 3.43Å; D208-D212 PolarHBondContact O-N 2.73Å; D212-H214 PolarHBondContact O-N 3.01Å; D212-L215 HydrophobicContact CB-CD1 3.91Å; D212-L215 HydrophobicContact CB-CG 4.28Å; D212-L215 WeakPolarHBondContact O-CB 3.44Å; D212-L215 PolarHBondContact O-N 3.14Å; D212-Y217 HydrophobicContact CB-CE1 4.37Å
213	S	96.8	Very high	95.3	Very high	48 Å²	48	50.2 Å²	50.2	34%	0.336	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-25	-178.4	56.5	0	0	0	0	115	E209 E210 N230 R231	E209-S213 WeakPolarHBondContact O-CA 3.37Å; E209-S213 WeakPolarHBondContact O-CB 3.46Å; E210-S213 VanDerWaalsContact O-CB 3.26Å; E210-S213 WeakPolarHBondContact O-CB 3.32Å; E210-S213 PolarHBondContact O-N 2.69Å; E210-S213 PolarHBondContact O-OG 3.05Å; S213-N230 PolarHBondContact O-ND2 3Å; S213-R231 WeakPolarHBondContact O-CD 3.43Å; S213-R231 PolarHBondContact O-NE 3.23Å
214	H	96.4	Very high	95	Very high	117 Å²	117	47.5 Å²	47.5	54%	0.542	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-12.8	-179.9	64	-76.7	0	0	0	113.7	L211 D212	L211-H214 PolarHBondContact O-CE1 3.22Å; D212-H214 PolarHBondContact O-N 3.01Å
215	L	98.2	Very high	94.5	Very high	13 Å²	13	50.5 Å²	50.5	7%	0.068	27%	0.269	C	S	.	.	S	Bend	trans	-88.6	151.5	-177.9	-58.3	-175.1	0	0	0	111.9	L144 F156 D212 Y217 N230	L144-L215 HydrophobicContact CD1-CD1 4.2Å; L144-L215 HydrophobicContact CD1-CD2 3.77Å; L144-L215 HydrophobicContact CD2-CD2 4.04Å; F156-L215 HydrophobicContact CD2-CB 4.44Å; F156-L215 HydrophobicContact CD2-CD1 4.35Å; F156-L215 HydrophobicContact CE2-CB 4.39Å; F156-L215 HydrophobicContact CE2-CD1 3.84Å; F156-L215 HydrophobicContact CE2-CD2 4.41Å; F156-L215 HydrophobicContact CE2-CG 4.46Å; F156-L215 HydrophobicContact CZ-CD1 4.43Å; D212-L215 HydrophobicContact CB-CD1 3.91Å; D212-L215 HydrophobicContact CB-CG 4.28Å; D212-L215 WeakPolarHBondContact O-CB 3.44Å; D212-L215 PolarHBondContact O-N 3.14Å; L215-Y217 HydrophobicContact CB-CD1 4.13Å; L215-N230 PolarHBondContact O-ND2 3.44Å
216	S	98.4	Very high	94.4	Very high	4 Å²	4	53 Å²	53	3%	0.028	28%	0.275	C	S	.	.			trans	-92.2	120.3	173.5	-58.3	0	0	0	0	109.9	F155 F156 N230 R231 Q233	F155-S216 WeakPolarHBondContact CA-O 3.17Å; F156-S216 PolarHBondContact N-O 2.99Å; S216-N230 WeakPolarHBondContact CA-O 3.37Å; S216-R231 WeakPolarHBondContact CB-O 2.94Å; S216-R231 PolarHBondContact OG-O 3.32Å; S216-Q233 WeakPolarHBondContact OG-CG 3.26Å; S216-Q233 PolarHBondContact OG-NE2 3.4Å
217	Y	98.6	Very high	94.3	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	164.1	-176.6	64.1	-106	0	0	0	114.3	F156 L207 D212 L215 K219 M228 V229 N230	F156-Y217 CarbonylContact O-C 3.56Å; F156-Y217 WeakPolarHBondContact O-CA 3.46Å; F156-Y217 WeakPolarHBondContact O-CB 3.42Å; L207-Y217 HydrophobicContact CD1-CD1 4.32Å; L207-Y217 HydrophobicContact CD1-CD2 4.31Å; L207-Y217 HydrophobicContact CD1-CG 3.89Å; D212-Y217 HydrophobicContact CB-CE1 4.37Å; L215-Y217 HydrophobicContact CB-CD1 4.13Å; Y217-K219 HydrophobicContact CD2-CG 4.05Å; Y217-K219 HydrophobicContact CE2-CD 4.29Å; Y217-K219 HydrophobicContact CE2-CG 4.13Å; Y217-M228 HydrophobicContact CE2-CE 3.46Å; Y217-M228 VanDerWaalsContact CE2-CE 3.46Å; Y217-M228 WeakPolarHBondContact OH-CE 3.2Å; Y217-V229 WeakPolarHBondContact O-CA 3.42Å; Y217-N230 HydrophobicContact CD1-CB 3.93Å; Y217-N230 HydrophobicContact CD2-CB 3.93Å; Y217-N230 HydrophobicContact CE1-CB 3.55Å; Y217-N230 WeakPolarHBondContact CE1-ND2 3.37Å; Y217-N230 HydrophobicContact CE2-CB 3.49Å; Y217-N230 VanDerWaalsContact CE2-CB 3.49Å; Y217-N230 HydrophobicContact CG-CB 4.12Å; Y217-N230 PolarHBondContact N-O 2.89Å; Y217-N230 PolarHBondContact O-N 3.21Å
218	I	98.4	Very high	94.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.3	162.7	-178	168.7	0	0	0	109.4	F155 F156 I157 E158 I220 Y227 M228 V229 A241 L244	F155-I218 HydrophobicContact CE1-CB 4.43Å; F155-I218 HydrophobicContact CE1-CG2 3.69Å; F155-I218 HydrophobicContact CZ-CB 4Å; F155-I218 HydrophobicContact CZ-CG2 3.77Å; F156-I218 PolarHBondContact O-N 3.46Å; I157-I218 WeakPolarHBondContact CA-O 3.41Å; I157-I218 HydrophobicContact CB-CG2 4.22Å; I157-I218 HydrophobicContact CG1-CG2 3.89Å; I157-I218 HydrophobicContact CG2-CG2 4.1Å; E158-I218 PolarHBondContact N-O 2.94Å; I218-I220 HydrophobicContact CD1-CG1 4.49Å; I218-I220 HydrophobicContact CG1-CG1 4.27Å; I218-Y227 HydrophobicContact CD1-CD1 4.01Å; I218-Y227 HydrophobicContact CG1-CD1 4.48Å; I218-M228 CarbonylContact C-O 3.59Å; I218-M228 VanDerWaalsContact CA-O 3.3Å; I218-M228 WeakPolarHBondContact CA-O 3.32Å; I218-V229 HydrophobicContact CB-CG2 4.42Å; I218-V229 HydrophobicContact CD1-CG2 4.01Å; I218-V229 HydrophobicContact CG1-CG2 3.97Å; I218-A241 HydrophobicContact CD1-CB 4.16Å; I218-L244 HydrophobicContact CD1-CB 4.26Å; I218-L244 HydrophobicContact CD1-CD1 4.31Å; I218-L244 HydrophobicContact CG2-CD1 3.87Å
219	K	97.7	Very high	94.2	Very high	20 Å²	20	54.7 Å²	54.7	9%	0.087	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.7	166.5	-55	177.2	73.1	168.2	0	108.9	E158 L207 Y217 F221 Y227 M228	E158-K219 HydrophobicContact CB-CG 4.2Å; E158-K219 CarbonylContact O-C 3.56Å; E158-K219 WeakPolarHBondContact O-CA 3.5Å; E158-K219 WeakPolarHBondContact OE2-CE 3.3Å; E158-K219 IonicContact OE2-NZ 3.92Å; L207-K219 HydrophobicContact CB-CD 4.41Å; L207-K219 PolarHBondContact O-NZ 2.93Å; Y217-K219 HydrophobicContact CD2-CG 4.05Å; Y217-K219 HydrophobicContact CE2-CD 4.29Å; Y217-K219 HydrophobicContact CE2-CG 4.13Å; K219-F221 HydrophobicContact CB-CD2 4.42Å; K219-F221 HydrophobicContact CB-CE2 3.66Å; K219-F221 HydrophobicContact CB-CZ 3.93Å; K219-F221 HydrophobicContact CD-CE2 4.48Å; K219-F221 HydrophobicContact CD-CZ 4.05Å; K219-Y227 CarbonylContact O-C 3.55Å; K219-Y227 VanDerWaalsContact O-CA 3.32Å; K219-Y227 WeakPolarHBondContact O-CA 3.37Å; K219-M228 HydrophobicContact CB-CB 4.2Å; K219-M228 HydrophobicContact CD-CE 3.24Å; K219-M228 HydrophobicContact CD-SD 4.22Å; K219-M228 HydrophobicContact CG-CE 4.11Å; K219-M228 PolarHBondContact N-O 3.09Å; K219-M228 PolarHBondContact O-N 3.41Å
220	I	95.7	Very high	94.4	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.041	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119	177.9	-53.4	170.4	0	0	0	106.8	I58 I157 E158 I160 I218 Y227 L244	I58-I220 HydrophobicContact CD1-CD1 3.94Å; I157-I220 HydrophobicContact CG2-CD1 4.13Å; E158-I220 PolarHBondContact O-N 2.76Å; I160-I220 PolarHBondContact N-O 2.8Å; I218-I220 HydrophobicContact CD1-CG1 4.49Å; I218-I220 HydrophobicContact CG1-CG1 4.27Å; I220-Y227 HydrophobicContact CB-CD1 4.41Å; I220-Y227 HydrophobicContact CB-CE1 4.36Å; I220-Y227 HydrophobicContact CG1-CD1 3.97Å; I220-Y227 HydrophobicContact CG1-CE1 3.98Å; I220-Y227 HydrophobicContact CG2-CD1 4.26Å; I220-Y227 HydrophobicContact CG2-CE1 3.81Å; I220-L244 HydrophobicContact CD1-CB 4.25Å; I220-L244 HydrophobicContact CD1-CD1 4.28Å; I220-L244 HydrophobicContact CD1-CD2 4.35Å
221	F	92.6	Very high	94.5	Very high	20 Å²	20	50.3 Å²	50.3	9%	0.088	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	136.5	-179.7	-61.2	-90.5	0	0	0	110.5	I160 K219 V223 G224 T225 R226 M228	I160-F221 HydrophobicContact CB-CD1 4.04Å; I160-F221 HydrophobicContact CB-CE1 4.4Å; I160-F221 HydrophobicContact CD1-CD1 4.07Å; I160-F221 HydrophobicContact CD1-CE1 3.54Å; I160-F221 HydrophobicContact CD1-CZ 4.09Å; I160-F221 HydrophobicContact CG2-CD1 4.14Å; I160-F221 HydrophobicContact CG2-CE1 4.46Å; I160-F221 CarbonylContact O-C 3.57Å; I160-F221 WeakPolarHBondContact O-CA 3.13Å; K219-F221 HydrophobicContact CB-CD2 4.42Å; K219-F221 HydrophobicContact CB-CE2 3.66Å; K219-F221 HydrophobicContact CB-CZ 3.93Å; K219-F221 HydrophobicContact CD-CE2 4.48Å; K219-F221 HydrophobicContact CD-CZ 4.05Å; F221-V223 VanDerWaalsContact C-N 3.28Å; F221-V223 PolarHBondContact O-N 3.49Å; F221-G224 PolarHBondContact O-N 2.94Å; F221-T225 PolarHBondContact O-N 3.11Å; F221-T225 VanDerWaalsContact O-N 3.08Å; F221-T225 PolarHBondContact O-OG1 3.1Å; F221-T225 VanDerWaalsContact O-OG1 3.07Å; F221-R226 HydrophobicContact CB-CB 4.13Å; F221-R226 HydrophobicContact CD2-CB 4.26Å; F221-R226 HydrophobicContact CD2-CG 4.24Å; F221-R226 WeakPolarHBondContact CD2-O 3.29Å; F221-R226 VanDerWaalsContact CZ-NH2 3.25Å; F221-R226 PolarHBondContact N-O 3.4Å; F221-M228 HydrophobicContact CE2-CB 4.03Å
222	D	85.7	Confident	94.5	Very high	58 Å²	58	48.4 Å²	48.4	31%	0.31	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.6	54.8	172.8	-52	-51.3	0	0	0	112.1	I160 C161 N162 G224 T225	I160-D222 PolarHBondContact O-N 3.45Å; C161-D222 WeakPolarHBondContact CA-OD1 3.37Å; N162-D222 PolarHBondContact N-OD1 2.93Å; N162-D222 VanDerWaalsContact N-OD1 3.09Å; D222-G224 VanDerWaalsContact C-N 3.3Å; D222-G224 PolarHBondContact O-N 3.16Å; D222-T225 HydrophobicContact CB-CG2 4.35Å; D222-T225 WeakPolarHBondContact O-CG2 3.48Å
223	V	82	Confident	94.4	Very high	46 Å²	46	53 Å²	53	28%	0.279	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	36.6	177.1	-155.3	0	0	0	0	114.4	I166 F221 V249	I166-V223 HydrophobicContact CD1-CG2 3.69Å; I166-V223 HydrophobicContact CG1-CG2 4.48Å; I166-V223 HydrophobicContact CG2-CG2 3.64Å; F221-V223 VanDerWaalsContact C-N 3.28Å; F221-V223 PolarHBondContact O-N 3.49Å; V223-V249 HydrophobicContact CB-CG2 4.47Å; V223-V249 HydrophobicContact CG1-CB 4.07Å; V223-V249 HydrophobicContact CG1-CG1 3.51Å; V223-V249 HydrophobicContact CG1-CG2 3.42Å; V223-V249 VanDerWaalsContact CG1-CG2 3.42Å
224	G	84.4	Confident	94.2	Very high	19 Å²	19	52.1 Å²	52.1	20%	0.196	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.7	15	170.8	0	0	0	0	0	114.7	F221 D222 R226 Y227	F221-G224 PolarHBondContact O-N 2.94Å; D222-G224 VanDerWaalsContact C-N 3.3Å; D222-G224 PolarHBondContact O-N 3.16Å; G224-R226 VanDerWaalsContact C-N 3.3Å; G224-Y227 VanDerWaalsContact CA-CZ 3.43Å; G224-Y227 WeakPolarHBondContact CA-OH 3.37Å; G224-Y227 WeakPolarHBondContact O-CE2 3.46Å
225	T	87.1	Confident	94	Very high	110 Å²	110	52 Å²	52	68%	0.675	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-32.5	171.7	56.9	0	0	0	0	112.1	F221 D222	F221-T225 PolarHBondContact O-N 3.11Å; F221-T225 VanDerWaalsContact O-N 3.08Å; F221-T225 PolarHBondContact O-OG1 3.1Å; F221-T225 VanDerWaalsContact O-OG1 3.07Å; D222-T225 HydrophobicContact CB-CG2 4.35Å; D222-T225 WeakPolarHBondContact O-CG2 3.48Å
226	R	93.6	Very high	93.8	Very high	134 Å²	134	52.2 Å²	52.2	51%	0.506	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	145.7	177.1	-177	176.5	69.2	113.8	-2.8	110.6	F221 G224	F221-R226 HydrophobicContact CB-CB 4.13Å; F221-R226 HydrophobicContact CD2-CB 4.26Å; F221-R226 HydrophobicContact CD2-CG 4.24Å; F221-R226 WeakPolarHBondContact CD2-O 3.29Å; F221-R226 VanDerWaalsContact CZ-NH2 3.25Å; F221-R226 PolarHBondContact N-O 3.4Å; G224-R226 VanDerWaalsContact C-N 3.3Å
227	Y	95	Very high	93.7	Very high	54 Å²	54	52 Å²	52	21%	0.212	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.3	176.6	-59.3	-91.6	0	0	0	110.2	I218 K219 I220 G224 L244 M245	I218-Y227 HydrophobicContact CD1-CD1 4.01Å; I218-Y227 HydrophobicContact CG1-CD1 4.48Å; K219-Y227 CarbonylContact O-C 3.55Å; K219-Y227 VanDerWaalsContact O-CA 3.32Å; K219-Y227 WeakPolarHBondContact O-CA 3.37Å; I220-Y227 HydrophobicContact CB-CD1 4.41Å; I220-Y227 HydrophobicContact CB-CE1 4.36Å; I220-Y227 HydrophobicContact CG1-CD1 3.97Å; I220-Y227 HydrophobicContact CG1-CE1 3.98Å; I220-Y227 HydrophobicContact CG2-CD1 4.26Å; I220-Y227 HydrophobicContact CG2-CE1 3.81Å; G224-Y227 VanDerWaalsContact CA-CZ 3.43Å; G224-Y227 WeakPolarHBondContact CA-OH 3.37Å; G224-Y227 WeakPolarHBondContact O-CE2 3.46Å; Y227-L244 WeakPolarHBondContact CE1-O 3.5Å; Y227-L244 PolarHBondContact OH-O 3.13Å; Y227-M245 HydrophobicContact CD1-CG 3.89Å; Y227-M245 HydrophobicContact CD2-CG 4.05Å; Y227-M245 HydrophobicContact CE1-CG 4.04Å; Y227-M245 HydrophobicContact CE2-CB 4.42Å; Y227-M245 HydrophobicContact CE2-CG 4.21Å; Y227-M245 HydrophobicContact CG-CG 3.88Å
228	M	96.6	Very high	93.6	Very high	27 Å²	27	55 Å²	55	13%	0.133	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	118.2	170.7	-170.8	178.5	96.9	0	0	108.6	E209 Y217 I218 K219 F221	E209-M228 HydrophobicContact CG-CE 3.31Å; E209-M228 HydrophobicContact CG-SD 3.65Å; Y217-M228 HydrophobicContact CE2-CE 3.46Å; Y217-M228 VanDerWaalsContact CE2-CE 3.46Å; Y217-M228 WeakPolarHBondContact OH-CE 3.2Å; I218-M228 CarbonylContact C-O 3.59Å; I218-M228 VanDerWaalsContact CA-O 3.3Å; I218-M228 WeakPolarHBondContact CA-O 3.32Å; K219-M228 HydrophobicContact CB-CB 4.2Å; K219-M228 HydrophobicContact CD-CE 3.24Å; K219-M228 HydrophobicContact CD-SD 4.22Å; K219-M228 HydrophobicContact CG-CE 4.11Å; K219-M228 PolarHBondContact N-O 3.09Å; K219-M228 PolarHBondContact O-N 3.41Å; F221-M228 HydrophobicContact CE2-CB 4.03Å
229	V	97.8	Very high	93.5	Very high	65 Å²	65	59.4 Å²	59.4	39%	0.394	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.6	-174.5	-174.9	0	0	0	0	108.7	Y217 I218 V232	Y217-V229 WeakPolarHBondContact O-CA 3.42Å; I218-V229 HydrophobicContact CB-CG2 4.42Å; I218-V229 HydrophobicContact CD1-CG2 4.01Å; I218-V229 HydrophobicContact CG1-CG2 3.97Å; V229-V232 HydrophobicContact CG1-CG2 3.38Å
230	N	98.2	Very high	93.4	Very high	37 Å²	37	58.5 Å²	58.5	20%	0.198	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.3	178.9	-170.2	51.1	0	0	0	111.3	S213 L215 S216 Y217 V232	S213-N230 PolarHBondContact O-ND2 3Å; L215-N230 PolarHBondContact O-ND2 3.44Å; S216-N230 WeakPolarHBondContact CA-O 3.37Å; Y217-N230 HydrophobicContact CD1-CB 3.93Å; Y217-N230 HydrophobicContact CD2-CB 3.93Å; Y217-N230 HydrophobicContact CE1-CB 3.55Å; Y217-N230 WeakPolarHBondContact CE1-ND2 3.37Å; Y217-N230 HydrophobicContact CE2-CB 3.49Å; Y217-N230 VanDerWaalsContact CE2-CB 3.49Å; Y217-N230 HydrophobicContact CG-CB 4.12Å; Y217-N230 PolarHBondContact N-O 2.89Å; Y217-N230 PolarHBondContact O-N 3.21Å; N230-V232 PolarHBondContact O-N 3.04Å
231	R	97.1	Very high	93.5	Very high	158 Å²	158	58.4 Å²	58.4	60%	0.596	29%	0.292	S	S	*	.			trans	43.8	57.3	170.9	-66.5	-173.6	176.8	-106.7	-0.6	115.4	S213 S216 Q233	S213-R231 WeakPolarHBondContact O-CD 3.43Å; S213-R231 PolarHBondContact O-NE 3.23Å; S216-R231 WeakPolarHBondContact CB-O 2.94Å; S216-R231 PolarHBondContact OG-O 3.32Å; R231-Q233 WeakPolarHBondContact O-CG 3.18Å; R231-Q233 PolarHBondContact O-N 2.94Å
232	V	97.1	Very high	93.6	Very high	61 Å²	61	63.1 Å²	63.1	37%	0.37	31%	0.31	S	S	.	.			trans	-60.4	124.6	169.5	-179.7	0	0	0	0	109.7	V229 N230 Q237	V229-V232 HydrophobicContact CG1-CG2 3.38Å; N230-V232 PolarHBondContact O-N 3.04Å; V232-Q237 HydrophobicContact CG1-CB 3.83Å
233	Q	94.8	Very high	94.1	Very high	111 Å²	111	60.4 Å²	60.4	52%	0.519	30%	0.295	S	S	.	.			trans	-97.3	-29	-171.4	-59.3	177	-41.7	0	0	113.6	S216 R231	S216-Q233 WeakPolarHBondContact OG-CG 3.26Å; S216-Q233 PolarHBondContact OG-NE2 3.4Å; R231-Q233 WeakPolarHBondContact O-CG 3.18Å; R231-Q233 PolarHBondContact O-N 2.94Å
234	D	93.7	Very high	94.7	Very high	28 Å²	28	58.3 Å²	58.3	15%	0.15	28%	0.283	C	S	.	.	S	Bend	trans	-154.7	-178.1	-174.4	64.7	32.1	0	0	0	113.6	K153 V236 Q237 S238	K153-D234 WeakPolarHBondContact CD-OD2 3.36Å; K153-D234 WeakPolarHBondContact CE-OD2 3.39Å; K153-D234 IonicContact NZ-OD2 2.69Å; K153-D234 PolarHBondContact NZ-OD2 3.47Å; D234-V236 VanDerWaalsContact C-N 3.35Å; D234-V236 PolarHBondContact O-N 3.45Å; D234-V236 PolarHBondContact OD1-N 3.45Å; D234-Q237 PolarHBondContact O-N 3.42Å; D234-Q237 WeakPolarHBondContact OD1-CG 3.36Å; D234-Q237 PolarHBondContact OD1-N 2.9Å; D234-S238 WeakPolarHBondContact O-CB 3.32Å; D234-S238 PolarHBondContact O-N 3.21Å
235	H	92.2	Very high	95.2	Very high	116 Å²	116	62 Å²	62	54%	0.537	30%	0.296	S	S	.	.	H	α-helix	trans	-66.6	-31.8	-177.7	76.7	-88.4	0	0	0	113.3	S238 R239	H235-S238 PolarHBondContact O-N 3.49Å; H235-R239 WeakPolarHBondContact O-CB 3.47Å; H235-R239 VanDerWaalsContact O-CG 3.31Å; H235-R239 WeakPolarHBondContact O-CG 3.08Å; H235-R239 PolarHBondContact O-N 3.29Å
236	V	94.1	Very high	95.4	Very high	17 Å²	17	58 Å²	58	10%	0.103	27%	0.271	C	S	.	.	H	α-helix	trans	-69.6	-43.2	179.5	177.4	0	0	0	0	109.7	M45 V127 D234 T240	M45-V236 HydrophobicContact CE-CG1 3.77Å; V127-V236 HydrophobicContact CG2-CG1 3.82Å; D234-V236 VanDerWaalsContact C-N 3.35Å; D234-V236 PolarHBondContact O-N 3.45Å; D234-V236 PolarHBondContact OD1-N 3.45Å; V236-T240 WeakPolarHBondContact O-CB 3.45Å; V236-T240 PolarHBondContact O-N 2.95Å; V236-T240 PolarHBondContact O-OG1 2.92Å
237	Q	96.6	Very high	95.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.2	-41.7	175.2	-65.4	-179.1	9.2	0	0	111.4	F155 V232 D234 T240 A241	F155-Q237 HydrophobicContact CB-CG 3.92Å; F155-Q237 HydrophobicContact CD1-CG 4.46Å; F155-Q237 HydrophobicContact CD2-CB 4.04Å; F155-Q237 HydrophobicContact CD2-CG 3.78Å; F155-Q237 HydrophobicContact CE2-CB 4.18Å; F155-Q237 HydrophobicContact CE2-CG 4.43Å; F155-Q237 HydrophobicContact CG-CB 4.29Å; F155-Q237 HydrophobicContact CG-CG 3.81Å; V232-Q237 HydrophobicContact CG1-CB 3.83Å; D234-Q237 PolarHBondContact O-N 3.42Å; D234-Q237 WeakPolarHBondContact OD1-CG 3.36Å; D234-Q237 PolarHBondContact OD1-N 2.9Å; Q237-T240 WeakPolarHBondContact O-CB 3.42Å; Q237-T240 PolarHBondContact O-N 3.45Å; Q237-A241 PolarHBondContact O-N 2.93Å
238	S	96.1	Very high	94.8	Very high	67 Å²	67	51.7 Å²	51.7	47%	0.469	25%	0.249	S	C	.	.	H	α-helix	trans	-61.7	-48.2	176.5	-174.2	0	0	0	0	112.2	D234 H235 T240 A241 Y242	D234-S238 WeakPolarHBondContact O-CB 3.32Å; D234-S238 PolarHBondContact O-N 3.21Å; H235-S238 PolarHBondContact O-N 3.49Å; S238-T240 VanDerWaalsContact C-N 3.33Å; S238-T240 PolarHBondContact O-N 3.17Å; S238-A241 PolarHBondContact O-N 3.03Å; S238-Y242 WeakPolarHBondContact O-CB 3.36Å; S238-Y242 PolarHBondContact O-N 3.07Å
239	R	95	Very high	93.9	Very high	92 Å²	92	53.8 Å²	53.8	35%	0.347	26%	0.263	S	S	.	.	H	α-helix	trans	-61.9	-40.7	175.6	-75.6	-176.2	-167.3	-106.8	8.5	112	H235 Y242 Y243 E376	H235-R239 WeakPolarHBondContact O-CB 3.47Å; H235-R239 VanDerWaalsContact O-CG 3.31Å; H235-R239 WeakPolarHBondContact O-CG 3.08Å; H235-R239 PolarHBondContact O-N 3.29Å; R239-Y242 PolarHBondContact O-N 3.2Å; R239-Y243 WeakPolarHBondContact O-CB 3.48Å; R239-Y243 PolarHBondContact O-N 2.91Å; R239-E376 IonicContact NH1-OE1 2.73Å; R239-E376 PolarHBondContact NH1-OE1 3.39Å; R239-E376 IonicContact NH1-OE2 3.57Å; R239-E376 PolarHBondContact NH1-OE2 2.9Å
240	T	96.6	Very high	93.1	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-50.4	174.2	-62.8	0	0	0	0	111.3	M45 L62 F155 I157 V236 Q237 S238 Y242 Y243 L244	M45-T240 HydrophobicContact CE-CG2 4.17Å; M45-T240 WeakPolarHBondContact CE-OG1 3.42Å; M45-T240 HydrophobicContact SD-CG2 4.24Å; L62-T240 HydrophobicContact CD1-CG2 3.84Å; L62-T240 HydrophobicContact CD2-CG2 3.71Å; L62-T240 HydrophobicContact CG-CG2 4.44Å; F155-T240 HydrophobicContact CD1-CG2 4.22Å; F155-T240 HydrophobicContact CE1-CG2 3.88Å; I157-T240 HydrophobicContact CD1-CG2 4.04Å; V236-T240 WeakPolarHBondContact O-CB 3.45Å; V236-T240 PolarHBondContact O-N 2.95Å; V236-T240 PolarHBondContact O-OG1 2.92Å; Q237-T240 WeakPolarHBondContact O-CB 3.42Å; Q237-T240 PolarHBondContact O-N 3.45Å; S238-T240 VanDerWaalsContact C-N 3.33Å; S238-T240 PolarHBondContact O-N 3.17Å; T240-Y242 VanDerWaalsContact C-N 3.35Å; T240-Y242 PolarHBondContact O-N 3.16Å; T240-Y243 PolarHBondContact O-N 3.19Å; T240-L244 HydrophobicContact CG2-CD1 3.72Å; T240-L244 HydrophobicContact CG2-CG 4.34Å; T240-L244 WeakPolarHBondContact O-CB 3.35Å; T240-L244 WeakPolarHBondContact O-CG 3.23Å; T240-L244 PolarHBondContact O-N 3.07Å
241	A	96.5	Very high	92.4	Very high	6 Å²	6	57.6 Å²	57.6	5%	0.05	29%	0.29	C	S	.	.	H	α-helix	trans	-59.5	-46.4	177.7	0	0	0	0	0	111.4	I218 Q237 S238 Y243 L244 M245	I218-A241 HydrophobicContact CD1-CB 4.16Å; Q237-A241 PolarHBondContact O-N 2.93Å; S238-A241 PolarHBondContact O-N 3.03Å; A241-Y243 PolarHBondContact O-N 2.78Å; A241-L244 PolarHBondContact O-N 2.78Å; A241-M245 WeakPolarHBondContact O-CG 3.17Å; A241-M245 PolarHBondContact O-N 3.38Å
242	Y	95.6	Very high	92.1	Very high	120 Å²	120	50.6 Å²	50.6	47%	0.471	26%	0.264	S	S	.	.	H	α-helix	trans	-58.3	-45.9	176.9	175.3	-113.8	0	0	0	112.5	S238 R239 T240 M245 N246 M380	S238-Y242 WeakPolarHBondContact O-CB 3.36Å; S238-Y242 PolarHBondContact O-N 3.07Å; R239-Y242 PolarHBondContact O-N 3.2Å; T240-Y242 VanDerWaalsContact C-N 3.35Å; T240-Y242 PolarHBondContact O-N 3.16Å; Y242-M245 PolarHBondContact O-N 2.98Å; Y242-N246 WeakPolarHBondContact CD2-ND2 3.46Å; Y242-N246 VanDerWaalsContact CE2-ND2 3.26Å; Y242-N246 WeakPolarHBondContact CE2-ND2 3.26Å; Y242-N246 PolarHBondContact O-N 3.01Å; Y242-N246 PolarHBondContact O-ND2 3.41Å; Y242-M380 HydrophobicContact CD1-SD 4.11Å; Y242-M380 HydrophobicContact CE1-CB 4.32Å; Y242-M380 HydrophobicContact CE1-CG 3.72Å; Y242-M380 HydrophobicContact CE1-SD 3.79Å
243	Y	96.6	Very high	92	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.6	-47.6	176.9	177.5	-112.9	0	0	0	112.1	K61 L62 Y65 R239 T240 A241 M245 N246 I247 M380 E383 Y403	K61-Y243 HydrophobicContact CB-CE1 4.34Å; K61-Y243 PolarHBondContact O-OH 3.28Å; L62-Y243 HydrophobicContact CB-CE1 4.39Å; L62-Y243 HydrophobicContact CD1-CD1 3.83Å; L62-Y243 HydrophobicContact CD1-CE1 4.37Å; Y65-Y243 AromaticContact CD1-CD1 3.88Å; Y65-Y243 HydrophobicContact CD1-CD1 3.88Å; Y65-Y243 AromaticContact CD1-CD2 3.8Å; Y65-Y243 HydrophobicContact CD1-CD2 3.8Å; Y65-Y243 HydrophobicContact CD1-CE1 4.28Å; Y65-Y243 HydrophobicContact CD1-CE2 4.22Å; Y65-Y243 AromaticContact CD1-CG 3.57Å; Y65-Y243 HydrophobicContact CD1-CG 3.57Å; Y65-Y243 HydrophobicContact CD2-CD2 4.15Å; Y65-Y243 HydrophobicContact CD2-CE2 4.17Å; Y65-Y243 HydrophobicContact CE1-CD2 4.15Å; Y65-Y243 AromaticContact CE1-CG 3.91Å; Y65-Y243 HydrophobicContact CE1-CG 3.91Å; Y65-Y243 HydrophobicContact CE2-CD2 4.5Å; Y65-Y243 HydrophobicContact CG-CD1 4.32Å; Y65-Y243 AromaticContact CG-CD2 3.79Å; Y65-Y243 HydrophobicContact CG-CD2 3.79Å; Y65-Y243 HydrophobicContact CG-CE1 4.32Å; Y65-Y243 AromaticContact CG-CE2 3.79Å; Y65-Y243 HydrophobicContact CG-CE2 3.79Å; Y65-Y243 HydrophobicContact CG-CG 4.02Å; R239-Y243 WeakPolarHBondContact O-CB 3.48Å; R239-Y243 PolarHBondContact O-N 2.91Å; T240-Y243 PolarHBondContact O-N 3.19Å; A241-Y243 PolarHBondContact O-N 2.78Å; Y243-M245 PolarHBondContact O-N 2.75Å; Y243-N246 PolarHBondContact O-N 2.82Å; Y243-I247 HydrophobicContact CD1-CG2 4.32Å; Y243-I247 HydrophobicContact CD2-CG2 4.06Å; Y243-I247 HydrophobicContact CE1-CG2 3.92Å; Y243-I247 HydrophobicContact CE2-CG2 3.64Å; Y243-I247 HydrophobicContact CG-CG2 4.42Å; Y243-I247 PolarHBondContact O-N 3.12Å; Y243-M380 HydrophobicContact CD2-CE 3.47Å; Y243-M380 VanDerWaalsContact CD2-CE 3.47Å; Y243-M380 HydrophobicContact CD2-SD 3.89Å; Y243-M380 HydrophobicContact CE2-CE 3.84Å; Y243-E383 HydrophobicContact CE2-CG 4.21Å; Y243-Y403 WeakPolarHBondContact CE2-OH 3.35Å; Y243-Y403 PolarHBondContact OH-OH 3.24Å
244	L	95.3	Very high	92.1	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-62.8	-26.5	-179.9	-66	171.2	0	0	0	113.1	I58 I157 I218 I220 Y227 T240 A241 N246 I247	I58-L244 HydrophobicContact CG2-CD2 3.46Å; I58-L244 VanDerWaalsContact CG2-CD2 3.46Å; I157-L244 HydrophobicContact CD1-CD1 4.1Å; I157-L244 HydrophobicContact CG1-CD1 4.27Å; I157-L244 HydrophobicContact CG2-CD1 3.97Å; I218-L244 HydrophobicContact CD1-CB 4.26Å; I218-L244 HydrophobicContact CD1-CD1 4.31Å; I218-L244 HydrophobicContact CG2-CD1 3.87Å; I220-L244 HydrophobicContact CD1-CB 4.25Å; I220-L244 HydrophobicContact CD1-CD1 4.28Å; I220-L244 HydrophobicContact CD1-CD2 4.35Å; Y227-L244 WeakPolarHBondContact CE1-O 3.5Å; Y227-L244 PolarHBondContact OH-O 3.13Å; T240-L244 HydrophobicContact CG2-CD1 3.72Å; T240-L244 HydrophobicContact CG2-CG 4.34Å; T240-L244 WeakPolarHBondContact O-CB 3.35Å; T240-L244 WeakPolarHBondContact O-CG 3.23Å; T240-L244 PolarHBondContact O-N 3.07Å; A241-L244 PolarHBondContact O-N 2.78Å; L244-N246 VanDerWaalsContact C-N 3.34Å; L244-I247 HydrophobicContact CD2-CD1 3.98Å
245	M	93.7	Very high	92.3	Very high	96 Å²	96	42.2 Å²	42.2	47%	0.473	22%	0.221	S	C	.	.	H	α-helix	trans	-78.3	-15.1	175.1	-69.6	173.6	73.9	0	0	114	Y227 A241 Y242 Y243	Y227-M245 HydrophobicContact CD1-CG 3.89Å; Y227-M245 HydrophobicContact CD2-CG 4.05Å; Y227-M245 HydrophobicContact CE1-CG 4.04Å; Y227-M245 HydrophobicContact CE2-CB 4.42Å; Y227-M245 HydrophobicContact CE2-CG 4.21Å; Y227-M245 HydrophobicContact CG-CG 3.88Å; A241-M245 WeakPolarHBondContact O-CG 3.17Å; A241-M245 PolarHBondContact O-N 3.38Å; Y242-M245 PolarHBondContact O-N 2.98Å; Y243-M245 PolarHBondContact O-N 2.75Å
246	N	92.5	Very high	92.6	Very high	28 Å²	28	36.7 Å²	36.7	15%	0.15	20%	0.196	C	C	.	.	H	α-helix	trans	-107	-16.3	-178.3	-75.5	-77.5	0	0	0	113.8	Y242 Y243 L244 E383 R384	Y242-N246 WeakPolarHBondContact CD2-ND2 3.46Å; Y242-N246 VanDerWaalsContact CE2-ND2 3.26Å; Y242-N246 WeakPolarHBondContact CE2-ND2 3.26Å; Y242-N246 PolarHBondContact O-N 3.01Å; Y242-N246 PolarHBondContact O-ND2 3.41Å; Y243-N246 PolarHBondContact O-N 2.82Å; L244-N246 VanDerWaalsContact C-N 3.34Å; N246-E383 CarbonylContact O-C 3.58Å; N246-E383 VanDerWaalsContact O-C 3.26Å; N246-R384 WeakPolarHBondContact O-CA 3.36Å; N246-R384 PolarHBondContact O-N 3.14Å
247	I	90.4	Very high	92.8	Very high	18 Å²	18	35.9 Å²	35.9	9%	0.092	19%	0.191	C	C	.	.			trans	-80	148.2	176.7	63.4	174.4	0	0	0	111.7	K61 Y243 L244 E383	K61-I247 HydrophobicContact CD-CG2 4.46Å; Y243-I247 HydrophobicContact CD1-CG2 4.32Å; Y243-I247 HydrophobicContact CD2-CG2 4.06Å; Y243-I247 HydrophobicContact CE1-CG2 3.92Å; Y243-I247 HydrophobicContact CE2-CG2 3.64Å; Y243-I247 HydrophobicContact CG-CG2 4.42Å; Y243-I247 PolarHBondContact O-N 3.12Å; L244-I247 HydrophobicContact CD2-CD1 3.98Å; I247-E383 HydrophobicContact CG2-CB 4.16Å; I247-E383 HydrophobicContact CG2-CG 4.26Å
248	H	84.3	Confident	93	Very high	36 Å²	36	36.1 Å²	36.1	17%	0.167	19%	0.192	C	C	.	.			trans	-138.6	165.7	168.5	67.7	76.2	0	0	0	111.8	Y57 T250 R252 Q385	Y57-H248 PolarHBondContact OH-O 2.89Å; H248-T250 WeakPolarHBondContact ND1-CB 3.44Å; H248-T250 PolarHBondContact ND1-N 3.46Å; H248-R252 PolarHBondContact CD2-NH1 3.24Å; H248-R252 PolarHBondContact CE1-NH1 3.4Å; H248-R252 PolarHBondContact NE2-NH1 2.88Å; H248-Q385 PolarHBondContact NE2-O 3.45Å; H248-Q385 VanDerWaalsContact NE2-O 3.15Å
249	V	78.3	Confident	93.1	Very high	72 Å²	72	33 Å²	33	44%	0.436	17%	0.17	S	C	.	.			trans	-100.8	-7.2	-179.2	-56.7	0	0	0	0	113.9	Y57 V223	Y57-V249 HydrophobicContact CD1-CG1 4.39Å; Y57-V249 HydrophobicContact CE1-CG1 3.87Å; V223-V249 HydrophobicContact CB-CG2 4.47Å; V223-V249 HydrophobicContact CG1-CB 4.07Å; V223-V249 HydrophobicContact CG1-CG1 3.51Å; V223-V249 HydrophobicContact CG1-CG2 3.42Å; V223-V249 VanDerWaalsContact CG1-CG2 3.42Å
250	T	80.6	Confident	93.3	Very high	70 Å²	70	28.7 Å²	28.7	43%	0.429	15%	0.154	S	C	.	.	S	Bend	trans	-53.8	126.9	179.4	-45.5	0	0	0	0	110.8	H248 R252	H248-T250 WeakPolarHBondContact ND1-CB 3.44Å; H248-T250 PolarHBondContact ND1-N 3.46Å; T250-R252 PolarHBondContact O-N 2.98Å
251	P	83.3	Confident	93.4	Very high	112 Å²	112	28.7 Å²	28.7	73%	0.727	15%	0.154	S	C	*	.			trans	-56.5	133.3	175.6	-25.2	34.3	0	0	0	111.3
252	R	90.8	Very high	93.5	Very high	10 Å²	10	28.5 Å²	28.5	4%	0.038	15%	0.152	C	C	.	.			trans	-153.2	163.6	-177.2	62.6	177.3	-178.1	-142.3	-3.9	111.5	H248 T250 E383 Q385 E386 P427	H248-R252 PolarHBondContact CD2-NH1 3.24Å; H248-R252 PolarHBondContact CE1-NH1 3.4Å; H248-R252 PolarHBondContact NE2-NH1 2.88Å; T250-R252 PolarHBondContact O-N 2.98Å; R252-E383 IonicContact CZ-OE2 3.27Å; R252-E383 PolarHBondContact NH1-O 3.01Å; R252-E383 PolarHBondContact NH2-O 3.02Å; R252-E383 IonicContact NH2-OE2 2.74Å; R252-E383 PolarHBondContact NH2-OE2 3.27Å; R252-Q385 WeakPolarHBondContact CD-O 3.42Å; R252-Q385 PolarHBondContact NE-O 3.25Å; R252-Q385 PolarHBondContact NH1-O 3.32Å; R252-E386 HydrophobicContact CB-CB 4.34Å; R252-E386 WeakPolarHBondContact CB-O 3.22Å; R252-E386 WeakPolarHBondContact CD-O 3.48Å; R252-P427 HydrophobicContact CG-CG 4.46Å; R252-P427 WeakPolarHBondContact O-CD 3.34Å
253	S	94.3	Very high	93.6	Very high	19 Å²	19	26.4 Å²	26.4	13%	0.133	15%	0.147	C	C	.	.			trans	-118.8	129.9	173.2	-66.9	0	0	0	0	111.3	N387 V388 K424 L425	S253-N387 PolarHBondContact N-OD1 2.86Å; S253-N387 WeakPolarHBondContact O-CA 3.04Å; S253-V388 PolarHBondContact O-N 3Å; S253-K424 WeakPolarHBondContact OG-CE 3.38Å; S253-L425 WeakPolarHBondContact CA-O 3.47Å
254	I	97.4	Very high	93.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.2	171.3	-58.8	168.4	0	0	0	107.6	L256 L382 V388 F404 L425	I254-L256 HydrophobicContact CG2-CD2 3.88Å; I254-L256 HydrophobicContact CG2-CG 4.29Å; I254-L382 HydrophobicContact CG2-CD2 4.24Å; I254-V388 CarbonylContact C-O 3.58Å; I254-V388 WeakPolarHBondContact CA-O 3.41Å; I254-F404 HydrophobicContact CD1-CE1 3.64Å; I254-F404 HydrophobicContact CD1-CE2 4.26Å; I254-F404 HydrophobicContact CD1-CZ 3.46Å; I254-F404 VanDerWaalsContact CD1-CZ 3.46Å; I254-L425 HydrophobicContact CB-CB 4.12Å; I254-L425 PolarHBondContact N-O 3.19Å; I254-L425 WeakPolarHBondContact O-CA 3.26Å; I254-L425 WeakPolarHBondContact O-CB 3.22Å; I254-L425 PolarHBondContact O-N 3.41Å
255	Y	98.6	Very high	93.8	Very high	5 Å²	5	28 Å²	28	2%	0.02	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120.2	177.2	-58.7	-94.6	0	0	0	108.1	F290 I296 L299 V388 L389 V390 V422 K424	Y255-F290 HydrophobicContact CD1-CE1 4.26Å; Y255-F290 HydrophobicContact CE1-CE1 4.31Å; Y255-F290 HydrophobicContact CE1-CZ 4.38Å; Y255-I296 HydrophobicContact CD2-CD1 4.34Å; Y255-I296 HydrophobicContact CE2-CD1 3.44Å; Y255-I296 VanDerWaalsContact CE2-CD1 3.44Å; Y255-I296 WeakPolarHBondContact OH-CD1 3.37Å; Y255-L299 HydrophobicContact CD2-CD1 4.41Å; Y255-V388 PolarHBondContact N-O 2.98Å; Y255-L389 CarbonylContact O-C 3.6Å; Y255-L389 WeakPolarHBondContact O-CA 3.12Å; Y255-V390 PolarHBondContact O-N 3.32Å; Y255-V422 HydrophobicContact CD1-CG1 3.94Å; Y255-K424 HydrophobicContact CD1-CB 4.07Å; Y255-K424 HydrophobicContact CD1-CG 4.14Å; Y255-K424 HydrophobicContact CE1-CB 4.03Å; Y255-K424 HydrophobicContact CE1-CD 3.85Å; Y255-K424 HydrophobicContact CE1-CG 3.71Å
256	L	98.8	Very high	94	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.8	174	-58.7	-174.2	0	0	0	109.1	I254 V390 M397 L400 L423 L425	I254-L256 HydrophobicContact CG2-CD2 3.88Å; I254-L256 HydrophobicContact CG2-CG 4.29Å; L256-V390 HydrophobicContact CD2-CB 3.68Å; L256-V390 HydrophobicContact CD2-CG1 4.46Å; L256-V390 HydrophobicContact CD2-CG2 3.9Å; L256-M397 HydrophobicContact CB-CE 3.88Å; L256-M397 HydrophobicContact CB-CG 4.38Å; L256-M397 WeakPolarHBondContact O-CE 3.48Å; L256-L400 HydrophobicContact CD1-CB 4.05Å; L256-L400 HydrophobicContact CD2-CD1 4.25Å; L256-L423 HydrophobicContact CB-CB 4.48Å; L256-L423 PolarHBondContact N-O 2.97Å; L256-L423 PolarHBondContact O-N 3.32Å; L256-L425 HydrophobicContact CD1-CD1 3.55Å; L256-L425 HydrophobicContact CD1-CG 4.47Å; L256-L425 HydrophobicContact CG-CD1 3.89Å; L256-L425 HydrophobicContact CG-CG 4.48Å
257	C	98.8	Very high	94.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	162.1	167.8	72.9	0	0	0	0	110.8	Y283 V390 I391 C392 V422	C257-Y283 VanDerWaalsContact CB-OH 3.31Å; C257-Y283 WeakPolarHBondContact CB-OH 3.34Å; C257-Y283 PolarHBondContact SG-OH 3.23Å; C257-V390 PolarHBondContact N-O 2.95Å; C257-V390 VanDerWaalsContact O-O 3.14Å; C257-I391 WeakPolarHBondContact O-CA 3.37Å; C257-C392 PolarHBondContact O-N 3.27Å; C257-V422 HydrophobicContact CB-CG2 4.19Å
258	R	98.9	Very high	94.6	Very high	5 Å²	5	30.8 Å²	30.8	2%	0.019	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	166.1	167.9	-69.1	168.5	60.1	-171.6	-0.2	109.8	C392 M397 C417 L419 T446	R258-C392 CarbonylContact C-O 3.57Å; R258-C392 VanDerWaalsContact CA-O 3.3Å; R258-C392 WeakPolarHBondContact CA-O 3.36Å; R258-M397 HydrophobicContact CG-SD 3.83Å; R258-C417 WeakPolarHBondContact CD-O 3.44Å; R258-C417 PolarHBondContact NH1-O 2.94Å; R258-L419 HydrophobicContact CB-CD2 4.16Å; R258-L419 VanDerWaalsContact CZ-CD2 3.47Å; R258-T446 VanDerWaalsContact CZ-OG1 3.32Å; R258-T446 PolarHBondContact NH1-OG1 3.32Å; R258-T446 PolarHBondContact NH2-OG1 3.49Å
259	H	98.9	Very high	95.3	Very high	3 Å²	3	32.6 Å²	32.6	1%	0.014	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-50.8	157.8	157.5	57.1	82.2	0	0	0	111.4	N265 R308 T309 C392 H393 L419	H259-N265 PolarHBondContact CE1-OD1 3.14Å; H259-R308 HydrophobicContact CB-CB 3.94Å; H259-R308 HydrophobicContact CB-CG 3.89Å; H259-R308 WeakPolarHBondContact CB-O 3.47Å; H259-R308 PolarHBondContact CD2-NE 2.77Å; H259-R308 WeakPolarHBondContact NE2-CD 3.23Å; H259-R308 PolarHBondContact NE2-NE 3.36Å; H259-T309 HydrophobicContact CB-CG2 3.96Å; H259-C392 PolarHBondContact CD2-O 3.48Å; H259-C392 VanDerWaalsContact CD2-O 3.28Å; H259-C392 PolarHBondContact N-O 3.3Å; H259-H393 AromaticContact CD2-CE1 3.94Å; H259-H393 AromaticContact CD2-ND1 3.18Å; H259-H393 PolarHBondContact CD2-ND1 3.24Å; H259-H393 AromaticContact NE2-ND1 3.5Å; H259-L419 WeakPolarHBondContact O-CD2 3.49Å
260	G	98.8	Very high	96.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-58.6	157.1	164.8	0	0	0	0	0	111.6	S262 L276 Y283 T312	G260-S262 PolarHBondContact O-N 3.37Å; G260-L276 WeakPolarHBondContact O-CD2 3.46Å; G260-Y283 VanDerWaalsContact CA-CD1 3.43Å; G260-T312 PolarHBondContact N-OG1 3.49Å
261	E	98.8	Very high	97	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-47.3	132.5	177.2	-176.6	-174.4	-108.7	0	0	111.5	N265 L266 L276 S277 R279 G280 L419 H420 A443 V444	E261-N265 HydrophobicContact CG-CB 4.18Å; E261-L266 HydrophobicContact CG-CD2 4.39Å; E261-L266 HydrophobicContact CG-CG 4.47Å; E261-L266 WeakPolarHBondContact OE2-CD2 3.42Å; E261-L276 WeakPolarHBondContact O-CA 3.18Å; E261-S277 PolarHBondContact O-N 3.22Å; E261-S277 PolarHBondContact O-OG 3.15Å; E261-S277 PolarHBondContact OE2-OG 3.13Å; E261-R279 VanDerWaalsContact CD-NH2 3.34Å; E261-R279 IonicContact OE1-CZ 3.92Å; E261-R279 IonicContact OE1-NE 3.29Å; E261-R279 IonicContact OE1-NH2 3.33Å; E261-R279 PolarHBondContact OE1-NH2 2.97Å; E261-R279 IonicContact OE2-CZ 3.53Å; E261-R279 IonicContact OE2-NE 3.69Å; E261-R279 PolarHBondContact OE2-NE 3.01Å; E261-R279 IonicContact OE2-NH2 2.88Å; E261-R279 PolarHBondContact OE2-NH2 3.08Å; E261-G280 WeakPolarHBondContact O-CA 3.49Å; E261-L419 HydrophobicContact CB-CD1 4.16Å; E261-L419 HydrophobicContact CG-CD1 4.24Å; E261-H420 PolarHBondContact N-NE2 2.88Å; E261-A443 HydrophobicContact CB-CB 4.38Å; E261-A443 WeakPolarHBondContact OE1-CA 3.23Å; E261-V444 HydrophobicContact CG-CG2 4.44Å; E261-V444 PolarHBondContact OE1-N 3.12Å
262	S	98.8	Very high	97.6	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.014	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-106.9	165	-179.6	68.1	0	0	0	0	112.4	G260 L264 N265 L266 G275	G260-S262 PolarHBondContact O-N 3.37Å; S262-L264 VanDerWaalsContact C-N 3.27Å; S262-L264 PolarHBondContact O-N 3.24Å; S262-N265 PolarHBondContact N-OD1 3.41Å; S262-N265 WeakPolarHBondContact O-CB 3.41Å; S262-N265 PolarHBondContact O-N 3.2Å; S262-N265 PolarHBondContact OG-N 2.87Å; S262-N265 PolarHBondContact OG-OD1 3.48Å; S262-L266 PolarHBondContact O-N 2.95Å; S262-G275 VanDerWaalsContact CA-O 3.31Å; S262-G275 WeakPolarHBondContact CA-O 3.38Å; S262-G275 WeakPolarHBondContact CB-O 3.37Å
263	E	98.4	Very high	98	Very high	77 Å²	77	26.5 Å²	26.5	36%	0.36	13%	0.133	S	C	.	.	H	α-helix	trans	-59.1	-36.7	176.4	-64.6	-62.6	152.9	0	0	112.6	N265 L266 R267 G275 S277	E263-N265 VanDerWaalsContact C-N 3.34Å; E263-L266 PolarHBondContact O-N 3Å; E263-R267 PolarHBondContact O-N 2.74Å; E263-G275 PolarHBondContact N-O 3.36Å; E263-G275 VanDerWaalsContact N-O 3.1Å; E263-S277 WeakPolarHBondContact OE1-CA 3.46Å
264	L	98.3	Very high	98.2	Very high	16 Å²	16	26.7 Å²	26.7	8%	0.084	13%	0.134	C	C	.	.	H	α-helix	trans	-71	-29.9	175.5	-71.2	171.2	0	0	0	112.4	S262 R267 G268 R269 G271 S274	S262-L264 VanDerWaalsContact C-N 3.27Å; S262-L264 PolarHBondContact O-N 3.24Å; L264-R267 CarbonylContact O-C 3.54Å; L264-R267 PolarHBondContact O-N 3.18Å; L264-G268 PolarHBondContact O-N 2.73Å; L264-R269 HydrophobicContact CB-CB 4.17Å; L264-R269 HydrophobicContact CD2-CB 3.67Å; L264-R269 HydrophobicContact CD2-CG 4.33Å; L264-R269 HydrophobicContact CG-CB 4.45Å; L264-R269 PolarHBondContact O-N 3.46Å; L264-G271 WeakPolarHBondContact CD1-O 3.46Å; L264-S274 WeakPolarHBondContact CG-OG 3.44Å; L264-S274 PolarHBondContact N-OG 3.24Å
265	N	98.3	Very high	98.2	Very high	20 Å²	20	27.3 Å²	27.3	11%	0.107	14%	0.141	C	C	.	.	H	α-helix	trans	-64.3	-42.9	174.4	-57.9	136.8	0	0	0	111.4	H259 E261 S262 E263 R267 G268 L419 V444 T446	H259-N265 PolarHBondContact CE1-OD1 3.14Å; E261-N265 HydrophobicContact CG-CB 4.18Å; S262-N265 PolarHBondContact N-OD1 3.41Å; S262-N265 WeakPolarHBondContact O-CB 3.41Å; S262-N265 PolarHBondContact O-N 3.2Å; S262-N265 PolarHBondContact OG-N 2.87Å; S262-N265 PolarHBondContact OG-OD1 3.48Å; E263-N265 VanDerWaalsContact C-N 3.34Å; N265-R267 PolarHBondContact O-N 3.14Å; N265-G268 PolarHBondContact O-N 2.95Å; N265-G268 VanDerWaalsContact O-N 3.09Å; N265-L419 HydrophobicContact CB-CD1 4.48Å; N265-V444 HydrophobicContact CB-CG2 3.83Å; N265-T446 HydrophobicContact CB-CG2 4.42Å
266	L	97.8	Very high	98.2	Very high	37 Å²	37	27.5 Å²	27.5	19%	0.194	14%	0.142	C	C	.	.	H	α-helix	trans	-55.7	-39.3	177	-70.7	177.1	0	0	0	111.8	E261 S262 E263 G268 R279 V444 Y471	E261-L266 HydrophobicContact CG-CD2 4.39Å; E261-L266 HydrophobicContact CG-CG 4.47Å; E261-L266 WeakPolarHBondContact OE2-CD2 3.42Å; S262-L266 PolarHBondContact O-N 2.95Å; E263-L266 PolarHBondContact O-N 3Å; L266-G268 VanDerWaalsContact C-N 3.34Å; L266-R279 VanDerWaalsContact CD2-NH2 3.32Å; L266-V444 HydrophobicContact CD2-CG1 4.05Å; L266-Y471 HydrophobicContact CD2-CD2 4.12Å; L266-Y471 HydrophobicContact CD2-CE2 4.43Å; L266-Y471 PolarHBondContact O-N 3.3Å
267	R	97.4	Very high	98.2	Very high	144 Å²	144	27.5 Å²	27.5	54%	0.543	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	6.3	-178.6	-59.1	178.2	-171.3	177.7	1.7	114.3	E263 L264 N265 R269 H470	E263-R267 PolarHBondContact O-N 2.74Å; L264-R267 CarbonylContact O-C 3.54Å; L264-R267 PolarHBondContact O-N 3.18Å; N265-R267 PolarHBondContact O-N 3.14Å; R267-R269 HydrophobicContact CB-CG 4.26Å; R267-R269 PolarHBondContact O-N 3.06Å; R267-R269 VanDerWaalsContact O-N 3.16Å; R267-H470 PolarHBondContact O-CD2 2.77Å
268	G	97.2	Very high	98.2	Very high	18 Å²	18	31.4 Å²	31.4	19%	0.186	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	15.9	-178.2	0	0	0	0	0	115.3	L264 N265 L266	L264-G268 PolarHBondContact O-N 2.73Å; N265-G268 PolarHBondContact O-N 2.95Å; N265-G268 VanDerWaalsContact O-N 3.09Å; L266-G268 VanDerWaalsContact C-N 3.34Å
269	R	98.3	Very high	98.2	Very high	75 Å²	75	33.3 Å²	33.3	28%	0.283	18%	0.176	S	C	.	.	B	Isolated β-bridge	trans	-90.4	137.8	-176	-70.5	178.1	179.3	-76.7	-10.7	111.7	L264 R267 E336 M337 T338 E341	L264-R269 HydrophobicContact CB-CB 4.17Å; L264-R269 HydrophobicContact CD2-CB 3.67Å; L264-R269 HydrophobicContact CD2-CG 4.33Å; L264-R269 HydrophobicContact CG-CB 4.45Å; L264-R269 PolarHBondContact O-N 3.46Å; R267-R269 HydrophobicContact CB-CG 4.26Å; R267-R269 PolarHBondContact O-N 3.06Å; R267-R269 VanDerWaalsContact O-N 3.16Å; R269-E336 WeakPolarHBondContact CD-O 3.29Å; R269-E336 WeakPolarHBondContact CG-O 3.35Å; R269-E336 PolarHBondContact NH1-O 3.03Å; R269-M337 WeakPolarHBondContact CA-O 3.33Å; R269-T338 HydrophobicContact CG-CG2 3.72Å; R269-E341 IonicContact CZ-OE1 3.63Å; R269-E341 IonicContact CZ-OE2 3.76Å; R269-E341 IonicContact NH1-OE1 3.07Å; R269-E341 PolarHBondContact NH1-OE1 3.38Å; R269-E341 IonicContact NH1-OE2 2.74Å; R269-E341 PolarHBondContact NH1-OE2 3.38Å; R269-E341 IonicContact NH2-OE1 3.51Å; R269-E341 PolarHBondContact NH2-OE1 2.93Å; R269-E341 IonicContact NH2-OE2 3.36Å
270	I	97.8	Very high	98.2	Very high	26 Å²	26	33.1 Å²	33.1	13%	0.133	18%	0.176	C	C	.	.			trans	-89.5	158.6	177.8	70	173	0	0	0	111.6	A331 C334 E336 M337 Y339 I342	I270-A331 HydrophobicContact CD1-CB 3.64Å; I270-A331 HydrophobicContact CG1-CB 4.24Å; I270-C334 HydrophobicContact CD1-CB 4.41Å; I270-C334 WeakPolarHBondContact CG1-O 3.31Å; I270-E336 WeakPolarHBondContact O-CA 3.48Å; I270-E336 PolarHBondContact O-N 3.25Å; I270-M337 PolarHBondContact N-O 2.9Å; I270-Y339 HydrophobicContact CG2-CE1 4.22Å; I270-Y339 HydrophobicContact CG2-CE2 4.08Å; I270-I342 HydrophobicContact CD1-CD1 3.62Å; I270-I342 HydrophobicContact CG1-CD1 4.39Å
271	G	96.6	Very high	98.2	Very high	16 Å²	16	38.6 Å²	38.6	17%	0.165	20%	0.2	C	C	.	.	S	Bend	trans	69.7	-145.4	175.1	0	0	0	0	0	114.5	L264 E335	L264-G271 WeakPolarHBondContact CD1-O 3.46Å; G271-E335 WeakPolarHBondContact CA-OE2 3.48Å
272	G	97.1	Very high	98.2	Very high	8 Å²	8	43.6 Å²	43.6	8%	0.082	22%	0.223	C	C	.	.	S	Bend	trans	64.2	-176.6	178	0	0	0	0	0	114.7	R308 E335	G272-R308 PolarHBondContact O-NH1 3.22Å; G272-E335 PolarHBondContact N-OE2 3.35Å
273	D	98.4	Very high	98.2	Very high	86 Å²	86	43.5 Å²	43.5	46%	0.46	22%	0.222	S	C	.	.			trans	-128.5	40.8	179.8	-163.2	32.6	0	0	0	113.5	M306 K307	D273-M306 WeakPolarHBondContact OD1-CA 3.38Å; D273-M306 VanDerWaalsContact OD1-CB 3.3Å; D273-M306 WeakPolarHBondContact OD1-CB 3.32Å; D273-K307 PolarHBondContact OD1-N 2.88Å
274	S	98.4	Very high	98.2	Very high	23 Å²	23	40 Å²	40	16%	0.161	21%	0.206	C	C	.	.			trans	-65.6	155.2	176.7	71.4	0	0	0	0	113.1	L264	L264-S274 WeakPolarHBondContact CG-OG 3.44Å; L264-S274 PolarHBondContact N-OG 3.24Å
275	G	98.6	Very high	98.2	Very high	13 Å²	13	46.4 Å²	46.4	13%	0.134	23%	0.23	C	C	.	.			trans	-82.6	177.9	174.4	0	0	0	0	0	113.3	S262 E263 Q311	S262-G275 VanDerWaalsContact CA-O 3.31Å; S262-G275 WeakPolarHBondContact CA-O 3.38Å; S262-G275 WeakPolarHBondContact CB-O 3.37Å; E263-G275 PolarHBondContact N-O 3.36Å; E263-G275 VanDerWaalsContact N-O 3.1Å; G275-Q311 VanDerWaalsContact CA-OE1 3.31Å
276	L	98.8	Very high	98.3	Very high	9 Å²	9	46.5 Å²	46.5	5%	0.047	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-67.1	140.2	176.9	-62.7	-179	0	0	0	112.8	G260 E261 K281 A284 R308 Q311	G260-L276 WeakPolarHBondContact O-CD2 3.46Å; E261-L276 WeakPolarHBondContact O-CA 3.18Å; L276-K281 HydrophobicContact CB-CG 3.98Å; L276-K281 HydrophobicContact CD1-CG 4.36Å; L276-A284 HydrophobicContact CD1-CB 4.34Å; L276-R308 HydrophobicContact CD2-CB 4.05Å; L276-Q311 HydrophobicContact CD1-CB 3.64Å; L276-Q311 HydrophobicContact CG-CB 3.89Å
277	S	98.7	Very high	98.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.225	C	C	.	.			trans	-68.2	176	165.8	81.5	0	0	0	0	111.3	E261 E263 R279 G280 K281	E261-S277 PolarHBondContact O-N 3.22Å; E261-S277 PolarHBondContact O-OG 3.15Å; E261-S277 PolarHBondContact OE2-OG 3.13Å; E263-S277 WeakPolarHBondContact OE1-CA 3.46Å; S277-R279 VanDerWaalsContact C-N 3.32Å; S277-R279 PolarHBondContact O-N 3.26Å; S277-R279 PolarHBondContact OG-N 3.45Å; S277-G280 PolarHBondContact O-N 3.24Å; S277-G280 PolarHBondContact OG-N 2.97Å; S277-K281 WeakPolarHBondContact O-CG 3.45Å; S277-K281 PolarHBondContact O-N 2.86Å
278	S	98.5	Very high	98.4	Very high	82 Å²	82	38.3 Å²	38.3	57%	0.573	20%	0.202	S	C	*	.	H	α-helix	trans	-57.4	-44.4	171.7	58.2	0	0	0	0	112.1	K281 Q282	S278-K281 PolarHBondContact O-N 3.2Å; S278-Q282 WeakPolarHBondContact O-CG 3.4Å; S278-Q282 PolarHBondContact O-N 2.91Å
279	R	98.6	Very high	98.4	Very high	44 Å²	44	42.5 Å²	42.5	17%	0.166	22%	0.221	C	C	.	.	H	α-helix	trans	-69.2	-37.3	176.1	-62.2	-172.3	-65.4	-163.5	-4.9	111.8	E261 L266 S277 K281 Q282 Y283 I441 E442	E261-R279 VanDerWaalsContact CD-NH2 3.34Å; E261-R279 IonicContact OE1-CZ 3.92Å; E261-R279 IonicContact OE1-NE 3.29Å; E261-R279 IonicContact OE1-NH2 3.33Å; E261-R279 PolarHBondContact OE1-NH2 2.97Å; E261-R279 IonicContact OE2-CZ 3.53Å; E261-R279 IonicContact OE2-NE 3.69Å; E261-R279 PolarHBondContact OE2-NE 3.01Å; E261-R279 IonicContact OE2-NH2 2.88Å; E261-R279 PolarHBondContact OE2-NH2 3.08Å; L266-R279 VanDerWaalsContact CD2-NH2 3.32Å; S277-R279 VanDerWaalsContact C-N 3.32Å; S277-R279 PolarHBondContact O-N 3.26Å; S277-R279 PolarHBondContact OG-N 3.45Å; R279-K281 VanDerWaalsContact C-N 3.3Å; R279-K281 PolarHBondContact O-N 2.85Å; R279-Q282 WeakPolarHBondContact O-CB 3.28Å; R279-Q282 PolarHBondContact O-N 3.39Å; R279-Q282 VanDerWaalsContact O-N 3.15Å; R279-Y283 PolarHBondContact O-N 3.13Å; R279-I441 HydrophobicContact CB-CG2 4.22Å; R279-E442 WeakPolarHBondContact CD-O 3.26Å
280	G	98.8	Very high	98.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-39.6	174.2	0	0	0	0	0	113.2	E261 S277 Y283 A284	E261-G280 WeakPolarHBondContact O-CA 3.49Å; S277-G280 PolarHBondContact O-N 3.24Å; S277-G280 PolarHBondContact OG-N 2.97Å; G280-Y283 PolarHBondContact O-N 2.85Å; G280-A284 PolarHBondContact O-N 3.33Å
281	K	98.8	Very high	98.3	Very high	115 Å²	115	39.8 Å²	39.8	50%	0.5	21%	0.211	S	C	.	.	H	α-helix	trans	-65.9	-41.8	173.7	-68.3	171.7	-173.3	173.2	0	112	L276 S277 S278 R279 Y283 A284 Y285	L276-K281 HydrophobicContact CB-CG 3.98Å; L276-K281 HydrophobicContact CD1-CG 4.36Å; S277-K281 WeakPolarHBondContact O-CG 3.45Å; S277-K281 PolarHBondContact O-N 2.86Å; S278-K281 PolarHBondContact O-N 3.2Å; R279-K281 VanDerWaalsContact C-N 3.3Å; R279-K281 PolarHBondContact O-N 2.85Å; K281-Y283 VanDerWaalsContact C-N 3.31Å; K281-Y283 PolarHBondContact O-N 2.96Å; K281-A284 WeakPolarHBondContact O-CB 3.37Å; K281-A284 PolarHBondContact O-N 3.01Å; K281-Y285 WeakPolarHBondContact O-CD2 3.48Å; K281-Y285 PolarHBondContact O-N 3.2Å
282	Q	98.8	Very high	98.3	Very high	105 Å²	105	47.9 Å²	47.9	49%	0.491	24%	0.236	S	C	.	.	H	α-helix	trans	-60.4	-42.6	174.9	-66.8	173.5	16.6	0	0	111.4	S278 R279 A284 Y285 A286 I441	S278-Q282 WeakPolarHBondContact O-CG 3.4Å; S278-Q282 PolarHBondContact O-N 2.91Å; R279-Q282 WeakPolarHBondContact O-CB 3.28Å; R279-Q282 PolarHBondContact O-N 3.39Å; R279-Q282 VanDerWaalsContact O-N 3.15Å; Q282-A284 PolarHBondContact O-N 3.21Å; Q282-Y285 PolarHBondContact O-N 3.01Å; Q282-A286 PolarHBondContact O-N 2.92Å; Q282-I441 HydrophobicContact CB-CD1 4.09Å; Q282-I441 HydrophobicContact CB-CG2 4.1Å
283	Y	98.9	Very high	98.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.1	-43	173.9	170.9	-104.2	0	0	0	112.6	C257 G260 R279 G280 K281 Y285 A286 L287 T312 H420 L439	C257-Y283 VanDerWaalsContact CB-OH 3.31Å; C257-Y283 WeakPolarHBondContact CB-OH 3.34Å; C257-Y283 PolarHBondContact SG-OH 3.23Å; G260-Y283 VanDerWaalsContact CA-CD1 3.43Å; R279-Y283 PolarHBondContact O-N 3.13Å; G280-Y283 PolarHBondContact O-N 2.85Å; K281-Y283 VanDerWaalsContact C-N 3.31Å; K281-Y283 PolarHBondContact O-N 2.96Å; Y283-Y285 VanDerWaalsContact C-N 3.3Å; Y283-Y285 PolarHBondContact O-N 2.81Å; Y283-A286 CarbonylContact O-C 3.57Å; Y283-A286 PolarHBondContact O-N 2.89Å; Y283-A286 VanDerWaalsContact O-N 3.11Å; Y283-L287 HydrophobicContact CE1-CB 4.49Å; Y283-L287 HydrophobicContact CE1-CD2 4.22Å; Y283-L287 WeakPolarHBondContact O-CB 3.32Å; Y283-L287 PolarHBondContact O-N 3.42Å; Y283-T312 HydrophobicContact CD1-CG2 4.3Å; Y283-T312 HydrophobicContact CE1-CG2 4.1Å; Y283-H420 WeakPolarHBondContact CB-CD2 3.42Å; Y283-H420 WeakPolarHBondContact CB-NE2 3.42Å; Y283-H420 AromaticContact CD1-CD2 3.68Å; Y283-H420 VanDerWaalsContact CD2-CA 3.43Å; Y283-H420 HydrophobicContact CD2-CB 3.51Å; Y283-H420 AromaticContact CD2-CD2 3.66Å; Y283-H420 AromaticContact CD2-CG 3.62Å; Y283-H420 VanDerWaalsContact CE2-C 3.44Å; Y283-H420 HydrophobicContact CE2-CB 3.91Å; Y283-H420 HydrophobicContact CG-CB 4.09Å; Y283-H420 AromaticContact CG-CD2 3.25Å; Y283-H420 AromaticContact CG-CG 3.67Å; Y283-H420 AromaticContact CG-NE2 3.82Å; Y283-L439 HydrophobicContact CD2-CB 4.23Å; Y283-L439 HydrophobicContact CD2-CD1 4.08Å; Y283-L439 HydrophobicContact CE2-CB 4.18Å; Y283-L439 HydrophobicContact CE2-CD1 3.52Å; Y283-L439 HydrophobicContact CE2-CG 3.98Å
284	A	98.9	Very high	98.1	Very high	3 Å²	3	50.8 Å²	50.8	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-58.1	-42.4	178.8	0	0	0	0	0	112.2	L276 G280 K281 Q282 L287 A288 T312 A315	L276-A284 HydrophobicContact CD1-CB 4.34Å; G280-A284 PolarHBondContact O-N 3.33Å; K281-A284 WeakPolarHBondContact O-CB 3.37Å; K281-A284 PolarHBondContact O-N 3.01Å; Q282-A284 PolarHBondContact O-N 3.21Å; A284-L287 PolarHBondContact O-N 3.34Å; A284-A288 PolarHBondContact O-N 3.44Å; A284-T312 HydrophobicContact CB-CG2 4.17Å; A284-A315 HydrophobicContact CB-CB 3.62Å
285	Y	98.6	Very high	97.7	Very high	150 Å²	150	53 Å²	53	59%	0.588	28%	0.28	S	S	*	.	H	α-helix	trans	-68.2	-39.2	173.7	-67.1	-65.4	0	0	0	112.9	K281 Q282 Y283 L287 A288 N289 A315	K281-Y285 WeakPolarHBondContact O-CD2 3.48Å; K281-Y285 PolarHBondContact O-N 3.2Å; Q282-Y285 PolarHBondContact O-N 3.01Å; Y283-Y285 VanDerWaalsContact C-N 3.3Å; Y283-Y285 PolarHBondContact O-N 2.81Å; Y285-L287 VanDerWaalsContact C-N 3.33Å; Y285-L287 PolarHBondContact O-N 2.89Å; Y285-A288 PolarHBondContact O-N 2.74Å; Y285-N289 PolarHBondContact O-N 2.93Å; Y285-N289 PolarHBondContact O-ND2 3.01Å; Y285-A315 HydrophobicContact CD1-CB 4.33Å; Y285-A315 HydrophobicContact CE1-CB 4.48Å
286	A	98.8	Very high	97.4	Very high	22 Å²	22	54.1 Å²	54.1	18%	0.182	28%	0.283	C	S	.	.	H	α-helix	trans	-62.9	-40.6	175.4	0	0	0	0	0	111.6	Q282 Y283 N289 F290 L439 I441	Q282-A286 PolarHBondContact O-N 2.92Å; Y283-A286 CarbonylContact O-C 3.57Å; Y283-A286 PolarHBondContact O-N 2.89Å; Y283-A286 VanDerWaalsContact O-N 3.11Å; A286-N289 PolarHBondContact O-N 2.97Å; A286-F290 WeakPolarHBondContact O-CB 3.36Å; A286-F290 PolarHBondContact O-N 2.73Å; A286-L439 HydrophobicContact CB-CB 4.13Å; A286-L439 HydrophobicContact CB-CD1 4.32Å; A286-I441 HydrophobicContact CB-CG1 4.21Å
287	L	98.8	Very high	96.6	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.3	-45.2	174.7	179.9	64.2	0	0	0	111.2	Y283 A284 Y285 N289 F290 I291 T312 L316 I391 V422 L439	Y283-L287 HydrophobicContact CE1-CB 4.49Å; Y283-L287 HydrophobicContact CE1-CD2 4.22Å; Y283-L287 WeakPolarHBondContact O-CB 3.32Å; Y283-L287 PolarHBondContact O-N 3.42Å; A284-L287 PolarHBondContact O-N 3.34Å; Y285-L287 VanDerWaalsContact C-N 3.33Å; Y285-L287 PolarHBondContact O-N 2.89Å; L287-N289 VanDerWaalsContact C-N 3.33Å; L287-N289 PolarHBondContact O-N 3.43Å; L287-F290 HydrophobicContact CD1-CD1 4.43Å; L287-F290 PolarHBondContact O-N 3.09Å; L287-I291 HydrophobicContact CD1-CD1 4.45Å; L287-I291 HydrophobicContact CD1-CG1 3.99Å; L287-I291 HydrophobicContact CG-CG1 4.33Å; L287-I291 WeakPolarHBondContact O-CB 3.49Å; L287-I291 VanDerWaalsContact O-CG1 3.31Å; L287-I291 WeakPolarHBondContact O-CG1 3.3Å; L287-I291 PolarHBondContact O-N 2.97Å; L287-T312 HydrophobicContact CD2-CG2 3.82Å; L287-L316 HydrophobicContact CD2-CD1 4.22Å; L287-L316 HydrophobicContact CG-CD1 4.37Å; L287-I391 HydrophobicContact CD2-CD1 4.02Å; L287-V422 HydrophobicContact CD1-CG2 3.57Å; L287-L439 VanDerWaalsContact CA-CD1 3.47Å; L287-L439 HydrophobicContact CB-CD1 3.94Å; L287-L439 HydrophobicContact CD1-CD1 4.12Å
288	A	98.2	Very high	96	Very high	9 Å²	9	63.3 Å²	63.3	7%	0.074	35%	0.348	C	S	.	.	H	α-helix	trans	-58.3	-44	176.1	0	0	0	0	0	112.3	A284 Y285 R292 A315 L316	A284-A288 PolarHBondContact O-N 3.44Å; Y285-A288 PolarHBondContact O-N 2.74Å; A288-R292 WeakPolarHBondContact O-CB 3.19Å; A288-R292 PolarHBondContact O-N 3.23Å; A288-A315 VanDerWaalsContact CB-O 3.29Å; A288-A315 WeakPolarHBondContact CB-O 3.32Å; A288-L316 HydrophobicContact CB-CD1 4.39Å; A288-L316 HydrophobicContact CB-CG 4.3Å
289	N	97.9	Very high	95.9	Very high	107 Å²	107	61.2 Å²	61.2	57%	0.572	33%	0.33	S	S	*	.	H	α-helix	trans	-65.7	-43.2	176.5	-71.7	-25.8	0	0	0	112.1	Y285 A286 L287 R292 S293	Y285-N289 PolarHBondContact O-N 2.93Å; Y285-N289 PolarHBondContact O-ND2 3.01Å; A286-N289 PolarHBondContact O-N 2.97Å; L287-N289 VanDerWaalsContact C-N 3.33Å; L287-N289 PolarHBondContact O-N 3.43Å; N289-R292 PolarHBondContact O-N 2.76Å; N289-S293 PolarHBondContact O-N 2.84Å
290	F	98.1	Very high	95.8	Very high	26 Å²	26	62.4 Å²	62.4	11%	0.114	34%	0.337	C	S	.	.	H	α-helix	trans	-60.7	-50.6	176.5	168.5	-100.7	0	0	0	111.6	Y255 A286 L287 R292 S293 Q294 V422 I437 L439	Y255-F290 HydrophobicContact CD1-CE1 4.26Å; Y255-F290 HydrophobicContact CE1-CE1 4.31Å; Y255-F290 HydrophobicContact CE1-CZ 4.38Å; A286-F290 WeakPolarHBondContact O-CB 3.36Å; A286-F290 PolarHBondContact O-N 2.73Å; L287-F290 HydrophobicContact CD1-CD1 4.43Å; L287-F290 PolarHBondContact O-N 3.09Å; F290-R292 VanDerWaalsContact C-N 3.3Å; F290-R292 PolarHBondContact O-N 3.27Å; F290-S293 PolarHBondContact O-N 2.91Å; F290-S293 VanDerWaalsContact O-N 3.13Å; F290-S293 PolarHBondContact O-OG 3.06Å; F290-Q294 HydrophobicContact CE1-CG 4.11Å; F290-Q294 HydrophobicContact CE2-CG 4.19Å; F290-Q294 VanDerWaalsContact CE2-NE2 3.34Å; F290-Q294 HydrophobicContact CZ-CG 3.84Å; F290-Q294 WeakPolarHBondContact O-CG 3.18Å; F290-Q294 PolarHBondContact O-N 3.33Å; F290-V422 HydrophobicContact CD1-CG2 4.28Å; F290-V422 HydrophobicContact CE1-CB 4.38Å; F290-V422 HydrophobicContact CE1-CG1 4.09Å; F290-V422 HydrophobicContact CE1-CG2 4.33Å; F290-I437 HydrophobicContact CD2-CG2 4.26Å; F290-I437 HydrophobicContact CE2-CD1 4.2Å; F290-I437 HydrophobicContact CE2-CG2 3.87Å; F290-I437 HydrophobicContact CZ-CD1 3.76Å; F290-I437 HydrophobicContact CZ-CG2 4.37Å; F290-L439 HydrophobicContact CB-CD1 4.24Å; F290-L439 HydrophobicContact CB-CD2 3.98Å; F290-L439 HydrophobicContact CD2-CD2 4.15Å; F290-L439 HydrophobicContact CG-CD2 3.94Å
291	I	96.8	Very high	95.8	Very high	18 Å²	18	62.5 Å²	62.5	9%	0.092	34%	0.338	C	S	.	.	H	α-helix	trans	-62.3	-40.4	-179.2	-68.8	-64.4	0	0	0	111.1	L287 S293 Q294 L299 L389	L287-I291 HydrophobicContact CD1-CD1 4.45Å; L287-I291 HydrophobicContact CD1-CG1 3.99Å; L287-I291 HydrophobicContact CG-CG1 4.33Å; L287-I291 WeakPolarHBondContact O-CB 3.49Å; L287-I291 VanDerWaalsContact O-CG1 3.31Å; L287-I291 WeakPolarHBondContact O-CG1 3.3Å; L287-I291 PolarHBondContact O-N 2.97Å; I291-S293 VanDerWaalsContact C-N 3.33Å; I291-S293 PolarHBondContact O-N 3.42Å; I291-Q294 PolarHBondContact O-N 3.48Å; I291-L299 HydrophobicContact CD1-CD2 4.4Å; I291-L299 HydrophobicContact CG2-CD2 3.31Å; I291-L389 HydrophobicContact CD1-CD1 4.39Å; I291-L389 HydrophobicContact CD1-CD2 3.99Å; I291-L389 HydrophobicContact CG1-CD2 3.99Å
292	R	95.5	Very high	95.8	Very high	186 Å²	186	57 Å²	57	70%	0.702	31%	0.314	S	S	*	.	H	α-helix	trans	-62	-39.9	175.1	-169.4	-179.3	-56.5	-154.7	-0	112.2	A288 N289 F290 Q294 G295	A288-R292 WeakPolarHBondContact O-CB 3.19Å; A288-R292 PolarHBondContact O-N 3.23Å; N289-R292 PolarHBondContact O-N 2.76Å; F290-R292 VanDerWaalsContact C-N 3.3Å; F290-R292 PolarHBondContact O-N 3.27Å; R292-Q294 PolarHBondContact O-N 3.19Å; R292-G295 PolarHBondContact O-N 3.49Å
293	S	96.1	Very high	95.8	Very high	87 Å²	87	52 Å²	52	61%	0.608	29%	0.29	S	S	*	.	H	α-helix	trans	-69.9	-20.4	180	78.2	0	0	0	0	113.5	N289 F290 I291 G295	N289-S293 PolarHBondContact O-N 2.84Å; F290-S293 PolarHBondContact O-N 2.91Å; F290-S293 VanDerWaalsContact O-N 3.13Å; F290-S293 PolarHBondContact O-OG 3.06Å; I291-S293 VanDerWaalsContact C-N 3.33Å; I291-S293 PolarHBondContact O-N 3.42Å; S293-G295 PolarHBondContact O-N 3.05Å
294	Q	94.6	Very high	95.8	Very high	68 Å²	68	52 Å²	52	32%	0.318	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-15.9	174.6	-61	-50.8	-77.6	0	0	113.3	F290 I291 R292 I296	F290-Q294 HydrophobicContact CE1-CG 4.11Å; F290-Q294 HydrophobicContact CE2-CG 4.19Å; F290-Q294 VanDerWaalsContact CE2-NE2 3.34Å; F290-Q294 HydrophobicContact CZ-CG 3.84Å; F290-Q294 WeakPolarHBondContact O-CG 3.18Å; F290-Q294 PolarHBondContact O-N 3.33Å; I291-Q294 PolarHBondContact O-N 3.48Å; R292-Q294 PolarHBondContact O-N 3.19Å; Q294-I296 HydrophobicContact CB-CD1 3.59Å; Q294-I296 HydrophobicContact CB-CG1 3.61Å; Q294-I296 HydrophobicContact CG-CD1 4.22Å; Q294-I296 PolarHBondContact O-N 3.16Å
295	G	91.9	Very high	95.8	Very high	68 Å²	68	56 Å²	56	70%	0.701	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	29.6	176.8	0	0	0	0	0	114.6	R292 S293 S297	R292-G295 PolarHBondContact O-N 3.49Å; S293-G295 PolarHBondContact O-N 3.05Å; G295-S297 PolarHBondContact O-N 2.85Å
296	I	91	Very high	95.8	Very high	37 Å²	37	50.2 Å²	50.2	19%	0.19	29%	0.287	C	S	.	.			trans	-73.7	120.3	-172.3	-57.2	157.8	0	0	0	110.2	Y255 Q294 S298 L299 N387	Y255-I296 HydrophobicContact CD2-CD1 4.34Å; Y255-I296 HydrophobicContact CE2-CD1 3.44Å; Y255-I296 VanDerWaalsContact CE2-CD1 3.44Å; Y255-I296 WeakPolarHBondContact OH-CD1 3.37Å; Q294-I296 HydrophobicContact CB-CD1 3.59Å; Q294-I296 HydrophobicContact CB-CG1 3.61Å; Q294-I296 HydrophobicContact CG-CD1 4.22Å; Q294-I296 PolarHBondContact O-N 3.16Å; I296-S298 PolarHBondContact O-N 3.05Å; I296-L299 HydrophobicContact CB-CB 4.41Å; I296-L299 HydrophobicContact CD1-CD1 4.36Å; I296-L299 HydrophobicContact CD1-CD2 4.48Å; I296-L299 HydrophobicContact CG2-CB 4.05Å; I296-L299 HydrophobicContact CG2-CD1 4.43Å; I296-N387 HydrophobicContact CG2-CB 3.58Å
297	S	82.3	Confident	95.8	Very high	91 Å²	91	54 Å²	54	64%	0.636	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	128.9	169.1	54.3	0	0	0	0	110.4	G295 L299	G295-S297 PolarHBondContact O-N 2.85Å; S297-L299 PolarHBondContact O-N 3.17Å
298	S	86.9	Confident	95.8	Very high	112 Å²	112	54.4 Å²	54.4	78%	0.783	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	47.2	171.1	-56.2	0	0	0	0	115.1	I296 K300	I296-S298 PolarHBondContact O-N 3.05Å; S298-K300 PolarHBondContact O-N 3.36Å
299	L	95.1	Very high	95.9	Very high	37 Å²	37	54 Å²	54	19%	0.194	30%	0.297	C	S	.	.			trans	-68.3	125	173.1	179.9	68.6	0	0	0	110.9	Y255 I291 I296 S297 V301 N387 L389	Y255-L299 HydrophobicContact CD2-CD1 4.41Å; I291-L299 HydrophobicContact CD1-CD2 4.4Å; I291-L299 HydrophobicContact CG2-CD2 3.31Å; I296-L299 HydrophobicContact CB-CB 4.41Å; I296-L299 HydrophobicContact CD1-CD1 4.36Å; I296-L299 HydrophobicContact CD1-CD2 4.48Å; I296-L299 HydrophobicContact CG2-CB 4.05Å; I296-L299 HydrophobicContact CG2-CD1 4.43Å; S297-L299 PolarHBondContact O-N 3.17Å; L299-V301 HydrophobicContact CD2-CG2 4.27Å; L299-V301 HydrophobicContact CG-CG2 4.34Å; L299-N387 HydrophobicContact CD1-CB 4.21Å; L299-L389 HydrophobicContact CD1-CB 4.12Å; L299-L389 HydrophobicContact CD2-CB 4.18Å; L299-L389 HydrophobicContact CG-CB 4.4Å
300	K	97.8	Very high	95.9	Very high	69 Å²	69	50 Å²	50	30%	0.3	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.9	165.5	-65.7	-168.5	176.7	-171.7	0	110.5	S298 Q385 N387 V388 L389	S298-K300 PolarHBondContact O-N 3.36Å; K300-Q385 HydrophobicContact CD-CG 4.24Å; K300-Q385 VanDerWaalsContact CD-OE1 3.31Å; K300-N387 PolarHBondContact N-O 3.3Å; K300-V388 HydrophobicContact CB-CG2 4.41Å; K300-V388 CarbonylContact O-C 3.5Å; K300-V388 WeakPolarHBondContact O-CA 3.45Å; K300-L389 PolarHBondContact O-N 3.2Å
301	V	98.6	Very high	95.9	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126	177.2	-176.8	0	0	0	0	109.2	L299 A313 L316 V318 Y320 E321 L389 I391	L299-V301 HydrophobicContact CD2-CG2 4.27Å; L299-V301 HydrophobicContact CG-CG2 4.34Å; V301-A313 HydrophobicContact CG1-CB 4.41Å; V301-L316 HydrophobicContact CG1-CD2 4.32Å; V301-L316 HydrophobicContact CG2-CD2 4.11Å; V301-V318 HydrophobicContact CG2-CG2 3.73Å; V301-Y320 CarbonylContact O-C 3.58Å; V301-Y320 WeakPolarHBondContact O-CA 3.41Å; V301-Y320 WeakPolarHBondContact O-CB 3.38Å; V301-E321 PolarHBondContact O-N 2.69Å; V301-L389 CarbonylContact C-O 3.58Å; V301-L389 WeakPolarHBondContact CA-O 3.39Å; V301-L389 HydrophobicContact CG1-CD2 4.27Å; V301-L389 HydrophobicContact CG2-CB 4.42Å; V301-L389 HydrophobicContact CG2-CD2 4.36Å; V301-I391 HydrophobicContact CG1-CD1 4.22Å
302	W	98.9	Very high	96	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.7	177.6	-60.8	-17.8	0	0	0	111.3	E321 W323 L326 V378 E381 L382 Q385 V388 L389 V390 I391	W302-E321 CarbonylContact C-O 3.26Å; W302-E321 WeakPolarHBondContact CA-O 3.33Å; W302-E321 PolarHBondContact NE1-OE2 3.15Å; W302-W323 AromaticContact CD1-NE1 3.68Å; W302-W323 AromaticContact CD2-NE1 3.91Å; W302-W323 AromaticContact CG-NE1 3.73Å; W302-W323 HydrophobicContact CZ2-CZ2 4.4Å; W302-W323 AromaticContact NE1-NE1 3.84Å; W302-L326 HydrophobicContact CB-CD1 4.04Å; W302-V378 HydrophobicContact CE3-CG1 4.34Å; W302-V378 HydrophobicContact CZ3-CG1 4.08Å; W302-E381 HydrophobicContact CH2-CB 3.75Å; W302-E381 HydrophobicContact CH2-CG 3.4Å; W302-E381 VanDerWaalsContact CH2-CG 3.4Å; W302-E381 HydrophobicContact CZ2-CB 4.4Å; W302-E381 HydrophobicContact CZ2-CG 3.56Å; W302-E381 HydrophobicContact CZ3-CB 4.44Å; W302-E381 HydrophobicContact CZ3-CG 4.42Å; W302-L382 HydrophobicContact CE3-CD2 4.06Å; W302-L382 HydrophobicContact CH2-CD2 3.82Å; W302-L382 HydrophobicContact CH2-CG 4.13Å; W302-L382 HydrophobicContact CZ3-CD2 3.37Å; W302-L382 HydrophobicContact CZ3-CG 3.6Å; W302-Q385 HydrophobicContact CH2-CG 4.12Å; W302-Q385 HydrophobicContact CZ2-CG 3.81Å; W302-V388 HydrophobicContact CD2-CG1 3.75Å; W302-V388 HydrophobicContact CE3-CG1 3.94Å; W302-V388 HydrophobicContact CG-CG1 4.23Å; W302-V388 HydrophobicContact CH2-CG1 4.28Å; W302-V388 HydrophobicContact CZ2-CG1 4.17Å; W302-V388 HydrophobicContact CZ2-CG2 4.44Å; W302-V388 HydrophobicContact CZ3-CG1 4.24Å; W302-L389 PolarHBondContact N-O 2.81Å; W302-V390 HydrophobicContact CE3-CG2 3.96Å; W302-I391 PolarHBondContact O-N 3.36Å
303	T	98.9	Very high	96.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	166.3	176	71.8	0	0	0	0	110.7	A313 Y320 E321 W323	T303-A313 HydrophobicContact CG2-CB 3.38Å; T303-Y320 HydrophobicContact CG2-CD2 3.78Å; T303-Y320 HydrophobicContact CG2-CE2 4.47Å; T303-Y320 HydrophobicContact CG2-CG 4.28Å; T303-E321 PolarHBondContact N-O 3.03Å; T303-W323 PolarHBondContact O-N 3.26Å
304	S	98.8	Very high	96.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.24	C	C	.	.			trans	-74.4	-178.3	158.6	71.9	0	0	0	0	111.2	M306 T309 L326 N327 H393	S304-M306 VanDerWaalsContact C-N 3.27Å; S304-M306 PolarHBondContact OG-N 3.2Å; S304-T309 PolarHBondContact N-OG1 2.93Å; S304-T309 PolarHBondContact O-OG1 3.5Å; S304-T309 WeakPolarHBondContact OG-CG2 3.33Å; S304-T309 PolarHBondContact OG-OG1 3.47Å; S304-L326 WeakPolarHBondContact CB-O 3.44Å; S304-N327 WeakPolarHBondContact CB-OD1 3.13Å; S304-H393 WeakPolarHBondContact CB-NE2 3.41Å; S304-H393 PolarHBondContact OG-NE2 3.25Å
305	H	98.7	Very high	96.5	Very high	87 Å²	87	40.8 Å²	40.8	40%	0.403	24%	0.235	S	C	.	.	S	Bend	trans	-85.8	-1.1	171.1	-73	-157.5	0	0	0	112.3	I310 Q322 W323 K324 N327	H305-I310 WeakPolarHBondContact O-CD1 3.48Å; H305-Q322 VanDerWaalsContact CD2-CB 3.42Å; H305-Q322 WeakPolarHBondContact CD2-CB 3.39Å; H305-Q322 VanDerWaalsContact NE2-C 3.32Å; H305-Q322 PolarHBondContact NE2-O 2.93Å; H305-W323 VanDerWaalsContact CD2-C 3.48Å; H305-K324 PolarHBondContact CD2-N 2.95Å; H305-K324 PolarHBondContact NE2-N 3.01Å; H305-N327 WeakPolarHBondContact CB-OD1 3.19Å; H305-N327 PolarHBondContact N-OD1 3.4Å
306	M	98.8	Very high	96.7	Very high	28 Å²	28	38.1 Å²	38.1	14%	0.138	21%	0.205	C	C	.	.	S	Bend	trans	-84.3	138.1	-176.7	-68.2	169.8	165.2	0	0	111.4	D273 S304 R308 T309 I310 N327 E328 H393	D273-M306 WeakPolarHBondContact OD1-CA 3.38Å; D273-M306 VanDerWaalsContact OD1-CB 3.3Å; D273-M306 WeakPolarHBondContact OD1-CB 3.32Å; S304-M306 VanDerWaalsContact C-N 3.27Å; S304-M306 PolarHBondContact OG-N 3.2Å; M306-R308 VanDerWaalsContact C-N 3.27Å; M306-R308 PolarHBondContact O-N 2.94Å; M306-R308 VanDerWaalsContact O-N 3.09Å; M306-R308 PolarHBondContact SD-NH2 3.36Å; M306-T309 PolarHBondContact O-N 2.84Å; M306-T309 PolarHBondContact O-OG1 2.96Å; M306-I310 PolarHBondContact O-N 3.27Å; M306-N327 HydrophobicContact CE-CB 3.94Å; M306-N327 HydrophobicContact SD-CB 4.3Å; M306-E328 HydrophobicContact CE-CB 4.09Å; M306-E328 HydrophobicContact SD-CB 3.93Å; M306-E328 PolarHBondContact SD-N 2.81Å; M306-H393 PolarHBondContact SD-CE1 3.1Å; M306-H393 PolarHBondContact SD-NE2 3.06Å
307	K	98.8	Very high	96.9	Very high	101 Å²	101	39.7 Å²	39.7	44%	0.439	23%	0.231	S	C	.	.	H	α-helix	trans	-47.8	-44.6	-172.5	-174.7	176	-177.1	175.4	0	113.5	D273 T309 I310 Q311	D273-K307 PolarHBondContact OD1-N 2.88Å; K307-T309 PolarHBondContact O-N 3.23Å; K307-I310 PolarHBondContact O-N 2.89Å; K307-Q311 HydrophobicContact CG-CG 4.19Å; K307-Q311 WeakPolarHBondContact O-CB 3.12Å; K307-Q311 VanDerWaalsContact O-CG 3.28Å; K307-Q311 WeakPolarHBondContact O-CG 3.43Å; K307-Q311 PolarHBondContact O-N 2.98Å
308	R	98.8	Very high	97.5	Very high	8 Å²	8	38.6 Å²	38.6	3%	0.03	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-36.3	-178.4	58.5	-168	-178.5	-93	6	114.5	H259 G272 L276 M306 T312 H393	H259-R308 HydrophobicContact CB-CB 3.94Å; H259-R308 HydrophobicContact CB-CG 3.89Å; H259-R308 WeakPolarHBondContact CB-O 3.47Å; H259-R308 PolarHBondContact CD2-NE 2.77Å; H259-R308 WeakPolarHBondContact NE2-CD 3.23Å; H259-R308 PolarHBondContact NE2-NE 3.36Å; G272-R308 PolarHBondContact O-NH1 3.22Å; L276-R308 HydrophobicContact CD2-CB 4.05Å; M306-R308 VanDerWaalsContact C-N 3.27Å; M306-R308 PolarHBondContact O-N 2.94Å; M306-R308 VanDerWaalsContact O-N 3.09Å; M306-R308 PolarHBondContact SD-NH2 3.36Å; R308-T312 PolarHBondContact O-N 3.14Å; R308-T312 PolarHBondContact O-OG1 2.98Å; R308-H393 PolarHBondContact NE-CE1 2.63Å; R308-H393 PolarHBondContact NE-ND1 3.2Å; R308-H393 VanDerWaalsContact NE-ND1 3.1Å; R308-H393 PolarHBondContact NH2-CE1 2.72Å; R308-H393 PolarHBondContact NH2-ND1 3.27Å; R308-H393 VanDerWaalsContact NH2-ND1 3.11Å
309	T	98.9	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-75.4	-39.9	176.7	64.8	0	0	0	0	110.6	H259 S304 M306 K307 T312 A313 I391	H259-T309 HydrophobicContact CB-CG2 3.96Å; S304-T309 PolarHBondContact N-OG1 2.93Å; S304-T309 PolarHBondContact O-OG1 3.5Å; S304-T309 WeakPolarHBondContact OG-CG2 3.33Å; S304-T309 PolarHBondContact OG-OG1 3.47Å; M306-T309 PolarHBondContact O-N 2.84Å; M306-T309 PolarHBondContact O-OG1 2.96Å; K307-T309 PolarHBondContact O-N 3.23Å; T309-T312 WeakPolarHBondContact O-CB 2.99Å; T309-T312 PolarHBondContact O-N 3.44Å; T309-A313 PolarHBondContact O-N 3.26Å; T309-I391 WeakPolarHBondContact CB-O 3.44Å; T309-I391 HydrophobicContact CG2-CG2 4.38Å; T309-I391 WeakPolarHBondContact CG2-O 3.48Å
310	I	98.9	Very high	98.1	Very high	24 Å²	24	40.4 Å²	40.4	12%	0.123	22%	0.223	C	C	.	.	H	α-helix	trans	-61	-51.3	177.4	-63.3	169.7	0	0	0	110.4	H305 M306 K307 T312 A313 E314 Y320	H305-I310 WeakPolarHBondContact O-CD1 3.48Å; M306-I310 PolarHBondContact O-N 3.27Å; K307-I310 PolarHBondContact O-N 2.89Å; I310-T312 PolarHBondContact O-N 3.49Å; I310-A313 WeakPolarHBondContact O-CA 3.46Å; I310-A313 WeakPolarHBondContact O-CB 3.41Å; I310-A313 PolarHBondContact O-N 3.11Å; I310-E314 HydrophobicContact CG2-CG 4.33Å; I310-E314 WeakPolarHBondContact O-CG 3.06Å; I310-E314 PolarHBondContact O-N 3.04Å; I310-Y320 HydrophobicContact CG2-CE2 4.09Å; I310-Y320 WeakPolarHBondContact CG2-OH 3.45Å
311	Q	98.9	Very high	98.2	Very high	53 Å²	53	41.4 Å²	41.4	25%	0.248	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-32.2	176.8	-73	-178.1	-32.5	0	0	112.9	G275 L276 K307	G275-Q311 VanDerWaalsContact CA-OE1 3.31Å; L276-Q311 HydrophobicContact CD1-CB 3.64Å; L276-Q311 HydrophobicContact CG-CB 3.89Å; K307-Q311 HydrophobicContact CG-CG 4.19Å; K307-Q311 WeakPolarHBondContact O-CB 3.12Å; K307-Q311 VanDerWaalsContact O-CG 3.28Å; K307-Q311 WeakPolarHBondContact O-CG 3.43Å; K307-Q311 PolarHBondContact O-N 2.98Å
312	T	98.9	Very high	98.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.8	-42.8	174.6	-54.5	0	0	0	0	110.4	G260 Y283 A284 L287 R308 T309 I310 L316 I391	G260-T312 PolarHBondContact N-OG1 3.49Å; Y283-T312 HydrophobicContact CD1-CG2 4.3Å; Y283-T312 HydrophobicContact CE1-CG2 4.1Å; A284-T312 HydrophobicContact CB-CG2 4.17Å; L287-T312 HydrophobicContact CD2-CG2 3.82Å; R308-T312 PolarHBondContact O-N 3.14Å; R308-T312 PolarHBondContact O-OG1 2.98Å; T309-T312 WeakPolarHBondContact O-CB 2.99Å; T309-T312 PolarHBondContact O-N 3.44Å; I310-T312 PolarHBondContact O-N 3.49Å; T312-L316 WeakPolarHBondContact O-CD1 3.21Å; T312-I391 HydrophobicContact CG2-CD1 4.16Å; T312-I391 HydrophobicContact CG2-CG2 3.98Å
313	A	98.7	Very high	98.2	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-68.2	-37.6	178.1	0	0	0	0	0	113.5	V301 T303 T309 I310 A315 L316 Y320 I391	V301-A313 HydrophobicContact CG1-CB 4.41Å; T303-A313 HydrophobicContact CG2-CB 3.38Å; T309-A313 PolarHBondContact O-N 3.26Å; I310-A313 WeakPolarHBondContact O-CA 3.46Å; I310-A313 WeakPolarHBondContact O-CB 3.41Å; I310-A313 PolarHBondContact O-N 3.11Å; A313-A315 PolarHBondContact O-N 3.35Å; A313-L316 WeakPolarHBondContact O-CB 3.42Å; A313-L316 PolarHBondContact O-N 2.57Å; A313-Y320 HydrophobicContact CB-CD1 3.95Å; A313-Y320 HydrophobicContact CB-CD2 4.2Å; A313-Y320 HydrophobicContact CB-CE1 4.33Å; A313-Y320 HydrophobicContact CB-CG 3.89Å; A313-I391 HydrophobicContact CB-CD1 3.97Å
314	E	98.6	Very high	98.1	Very high	111 Å²	111	55.6 Å²	55.6	52%	0.519	29%	0.29	S	S	.	.	H	α-helix	trans	-55.5	-35.5	178.4	-77	173	169.3	0	0	112.1	I310 L316 G317 Y320	I310-E314 HydrophobicContact CG2-CG 4.33Å; I310-E314 WeakPolarHBondContact O-CG 3.06Å; I310-E314 PolarHBondContact O-N 3.04Å; E314-L316 PolarHBondContact O-N 3.33Å; E314-G317 PolarHBondContact O-N 3.25Å; E314-Y320 HydrophobicContact CG-CE1 4.32Å
315	A	97.7	Very high	98.1	Very high	26 Å²	26	56.6 Å²	56.6	22%	0.215	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.6	178.1	0	0	0	0	0	113.9	A284 Y285 A288 A313 G317	A284-A315 HydrophobicContact CB-CB 3.62Å; Y285-A315 HydrophobicContact CD1-CB 4.33Å; Y285-A315 HydrophobicContact CE1-CB 4.48Å; A288-A315 VanDerWaalsContact CB-O 3.29Å; A288-A315 WeakPolarHBondContact CB-O 3.32Å; A313-A315 PolarHBondContact O-N 3.35Å; A315-G317 VanDerWaalsContact C-N 3.3Å
316	L	96.4	Very high	98.1	Very high	12 Å²	12	52.5 Å²	52.5	6%	0.063	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-24.9	178.3	-75.4	63.2	0	0	0	112	L287 A288 V301 T312 A313 E314 V318 L389	L287-L316 HydrophobicContact CD2-CD1 4.22Å; L287-L316 HydrophobicContact CG-CD1 4.37Å; A288-L316 HydrophobicContact CB-CD1 4.39Å; A288-L316 HydrophobicContact CB-CG 4.3Å; V301-L316 HydrophobicContact CG1-CD2 4.32Å; V301-L316 HydrophobicContact CG2-CD2 4.11Å; T312-L316 WeakPolarHBondContact O-CD1 3.21Å; A313-L316 WeakPolarHBondContact O-CB 3.42Å; A313-L316 PolarHBondContact O-N 2.57Å; E314-L316 PolarHBondContact O-N 3.33Å; L316-V318 VanDerWaalsContact C-N 3.28Å; L316-V318 HydrophobicContact CB-CG2 3.92Å; L316-V318 HydrophobicContact CD2-CG2 4.42Å; L316-V318 PolarHBondContact O-N 2.76Å; L316-L389 HydrophobicContact CD2-CD2 3.54Å
317	G	94.9	Very high	98.1	Very high	71 Å²	71	52.6 Å²	52.6	73%	0.732	28%	0.281	S	S	*	.			trans	66.8	26.3	-178.3	0	0	0	0	0	114.1	E314 A315	E314-G317 PolarHBondContact O-N 3.25Å; A315-G317 VanDerWaalsContact C-N 3.3Å
318	V	94.9	Very high	98.1	Very high	67 Å²	67	49.1 Å²	49.1	41%	0.406	27%	0.266	S	S	.	.	S	Bend	trans	-124.6	158.2	177.9	-58.5	0	0	0	0	110.6	V301 L316	V301-V318 HydrophobicContact CG2-CG2 3.73Å; L316-V318 VanDerWaalsContact C-N 3.28Å; L316-V318 HydrophobicContact CB-CG2 3.92Å; L316-V318 HydrophobicContact CD2-CG2 4.42Å; L316-V318 PolarHBondContact O-N 2.76Å
319	P	97.2	Very high	98.1	Very high	120 Å²	120	49.5 Å²	49.5	78%	0.779	27%	0.268	S	S	*	.			trans	-58.8	140.2	173.2	-22.7	34.1	0	0	0	111.8
320	Y	98.4	Very high	98.1	Very high	68 Å²	68	52.9 Å²	52.9	27%	0.267	29%	0.286	S	S	.	.			trans	-135.9	152.3	174.3	59	-87.2	0	0	0	110.8	V301 T303 I310 A313 E314 Q322	V301-Y320 CarbonylContact O-C 3.58Å; V301-Y320 WeakPolarHBondContact O-CA 3.41Å; V301-Y320 WeakPolarHBondContact O-CB 3.38Å; T303-Y320 HydrophobicContact CG2-CD2 3.78Å; T303-Y320 HydrophobicContact CG2-CE2 4.47Å; T303-Y320 HydrophobicContact CG2-CG 4.28Å; I310-Y320 HydrophobicContact CG2-CE2 4.09Å; I310-Y320 WeakPolarHBondContact CG2-OH 3.45Å; A313-Y320 HydrophobicContact CB-CD1 3.95Å; A313-Y320 HydrophobicContact CB-CD2 4.2Å; A313-Y320 HydrophobicContact CB-CE1 4.33Å; A313-Y320 HydrophobicContact CB-CG 3.89Å; E314-Y320 HydrophobicContact CG-CE1 4.32Å; Y320-Q322 HydrophobicContact CD2-CG 4.1Å; Y320-Q322 HydrophobicContact CE2-CG 3.97Å
321	E	98.6	Very high	98.1	Very high	90 Å²	90	51.9 Å²	51.9	42%	0.421	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135.3	178	-63.4	169.5	-168.5	0	0	109.9	V301 W302 T303	V301-E321 PolarHBondContact O-N 2.69Å; W302-E321 CarbonylContact C-O 3.26Å; W302-E321 WeakPolarHBondContact CA-O 3.33Å; W302-E321 PolarHBondContact NE1-OE2 3.15Å; T303-E321 PolarHBondContact N-O 3.03Å
322	Q	98.7	Very high	98.1	Very high	88 Å²	88	50.1 Å²	50.1	41%	0.411	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	122.2	-178.4	-49.9	-174.9	20	0	0	110.6	H305 Y320	H305-Q322 VanDerWaalsContact CD2-CB 3.42Å; H305-Q322 WeakPolarHBondContact CD2-CB 3.39Å; H305-Q322 VanDerWaalsContact NE2-C 3.32Å; H305-Q322 PolarHBondContact NE2-O 2.93Å; Y320-Q322 HydrophobicContact CD2-CG 4.1Å; Y320-Q322 HydrophobicContact CE2-CG 3.97Å
323	W	98.8	Very high	98	Very high	61 Å²	61	52.5 Å²	52.5	23%	0.231	29%	0.292	C	S	.	.			trans	-112.6	116	-178.6	-67.1	69.1	0	0	0	109.8	W302 T303 H305 A325 L326 V378 E381	W302-W323 AromaticContact CD1-NE1 3.68Å; W302-W323 AromaticContact CD2-NE1 3.91Å; W302-W323 AromaticContact CG-NE1 3.73Å; W302-W323 HydrophobicContact CZ2-CZ2 4.4Å; W302-W323 AromaticContact NE1-NE1 3.84Å; T303-W323 PolarHBondContact O-N 3.26Å; H305-W323 VanDerWaalsContact CD2-C 3.48Å; W323-A325 PolarHBondContact O-N 3.19Å; W323-L326 HydrophobicContact CB-CB 4.21Å; W323-L326 HydrophobicContact CB-CD1 3.75Å; W323-L326 HydrophobicContact CB-CG 3.93Å; W323-L326 HydrophobicContact CG-CD1 4.15Å; W323-L326 WeakPolarHBondContact O-CB 3.09Å; W323-L326 PolarHBondContact O-N 3.39Å; W323-V378 HydrophobicContact CE3-CG2 4.1Å; W323-E381 HydrophobicContact CH2-CB 4.04Å; W323-E381 HydrophobicContact CH2-CG 3.86Å; W323-E381 HydrophobicContact CZ2-CG 4.1Å
324	K	98.5	Very high	98	Very high	152 Å²	152	52.5 Å²	52.5	66%	0.661	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-60.2	-31.8	175.3	-172.6	174.6	179.9	-179.6	0	111.6	H305 L326 N327	H305-K324 PolarHBondContact CD2-N 2.95Å; H305-K324 PolarHBondContact NE2-N 3.01Å; K324-L326 PolarHBondContact O-N 2.64Å; K324-L326 VanDerWaalsContact O-N 3.14Å; K324-N327 VanDerWaalsContact O-CB 3.3Å; K324-N327 WeakPolarHBondContact O-CB 3.37Å; K324-N327 PolarHBondContact O-N 2.81Å
325	A	98.5	Very high	98	Very high	21 Å²	21	49.8 Å²	49.8	17%	0.174	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-60.8	-17	173.7	0	0	0	0	0	113.8	W323 R374 L375 V378	W323-A325 PolarHBondContact O-N 3.19Å; A325-R374 HydrophobicContact CB-CG 4.09Å; A325-R374 PolarHBondContact O-NH1 3.39Å; A325-L375 WeakPolarHBondContact O-CD2 3.15Å; A325-V378 HydrophobicContact CB-CG2 3.84Å
326	L	98.9	Very high	98	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-92.9	2.4	175	-72.6	171.2	0	0	0	113.4	W302 S304 W323 K324 L375 V378 V390 C392 H393 V396 L400	W302-L326 HydrophobicContact CB-CD1 4.04Å; S304-L326 WeakPolarHBondContact CB-O 3.44Å; W323-L326 HydrophobicContact CB-CB 4.21Å; W323-L326 HydrophobicContact CB-CD1 3.75Å; W323-L326 HydrophobicContact CB-CG 3.93Å; W323-L326 HydrophobicContact CG-CD1 4.15Å; W323-L326 WeakPolarHBondContact O-CB 3.09Å; W323-L326 PolarHBondContact O-N 3.39Å; K324-L326 PolarHBondContact O-N 2.64Å; K324-L326 VanDerWaalsContact O-N 3.14Å; L326-L375 HydrophobicContact CD2-CD2 3.95Å; L326-V378 HydrophobicContact CD2-CG1 4.03Å; L326-V378 HydrophobicContact CD2-CG2 4.38Å; L326-V378 HydrophobicContact CG-CG1 4.47Å; L326-V378 HydrophobicContact CG-CG2 4.29Å; L326-V390 HydrophobicContact CD1-CG1 3.93Å; L326-V390 HydrophobicContact CD2-CG1 3.98Å; L326-C392 HydrophobicContact CD2-CB 4.3Å; L326-H393 PolarHBondContact O-CD2 2.9Å; L326-V396 HydrophobicContact CD2-CG1 3.67Å; L326-L400 HydrophobicContact CD2-CD1 4.17Å
327	N	98.9	Very high	98.1	Very high	31 Å²	31	55 Å²	55	17%	0.166	30%	0.3	C	S	.	.	S	Bend	trans	-59.4	148.2	172.2	-76.8	7	0	0	0	110.9	S304 H305 M306 K324 R374 V396	S304-N327 WeakPolarHBondContact CB-OD1 3.13Å; H305-N327 WeakPolarHBondContact CB-OD1 3.19Å; H305-N327 PolarHBondContact N-OD1 3.4Å; M306-N327 HydrophobicContact CE-CB 3.94Å; M306-N327 HydrophobicContact SD-CB 4.3Å; K324-N327 VanDerWaalsContact O-CB 3.3Å; K324-N327 WeakPolarHBondContact O-CB 3.37Å; K324-N327 PolarHBondContact O-N 2.81Å; N327-R374 PolarHBondContact O-NH1 2.85Å; N327-R374 PolarHBondContact O-NH2 3.38Å; N327-V396 WeakPolarHBondContact O-CG2 3.41Å
328	E	98.8	Very high	98.2	Very high	27 Å²	27	52.2 Å²	52.2	13%	0.126	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-57.3	158.5	177.3	-172	56.3	-58.8	0	0	110.6	M306 D330 R374 H393 Q394 A395 V396	M306-E328 HydrophobicContact CE-CB 4.09Å; M306-E328 HydrophobicContact SD-CB 3.93Å; M306-E328 PolarHBondContact SD-N 2.81Å; E328-D330 PolarHBondContact O-N 2.78Å; E328-R374 PolarHBondContact O-NH2 3.01Å; E328-H393 HydrophobicContact CB-CB 3.77Å; E328-H393 HydrophobicContact CG-CB 3.92Å; E328-H393 PolarHBondContact N-CD2 3.38Å; E328-H393 PolarHBondContact N-NE2 3.4Å; E328-H393 WeakPolarHBondContact OE1-CB 3.41Å; E328-H393 WeakPolarHBondContact OE2-CB 3.1Å; E328-Q394 PolarHBondContact OE2-N 2.87Å; E328-A395 WeakPolarHBondContact OE1-CB 3.4Å; E328-A395 PolarHBondContact OE1-N 2.74Å; E328-A395 VanDerWaalsContact OE1-N 3.11Å; E328-A395 PolarHBondContact OE2-N 3.46Å; E328-V396 PolarHBondContact OE1-N 3.43Å
329	I	98.6	Very high	98.4	Very high	17 Å²	17	50.4 Å²	50.4	9%	0.087	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-52.4	130.4	171.5	-168.1	171.3	0	0	0	110.3	A331 E366 Y368 L371 A395	I329-A331 PolarHBondContact O-N 3.41Å; I329-E366 HydrophobicContact CG1-CB 3.78Å; I329-Y368 HydrophobicContact CD1-CD2 4.31Å; I329-L371 HydrophobicContact CB-CD2 4.29Å; I329-A395 HydrophobicContact CB-CB 3.88Å; I329-A395 HydrophobicContact CG2-CB 3.6Å
330	D	98.7	Very high	98.4	Very high	71 Å²	71	47.6 Å²	47.6	38%	0.38	23%	0.231	S	C	.	.			trans	-75.9	114	176.7	-168.9	-26.3	0	0	0	110	E328 G332 G365 E366	E328-D330 PolarHBondContact O-N 2.78Å; D330-G332 PolarHBondContact O-N 3.35Å; D330-G332 WeakPolarHBondContact OD1-CA 3.31Å; D330-G332 PolarHBondContact OD1-N 3.05Å; D330-G365 CarbonylContact O-C 3.59Å; D330-G365 WeakPolarHBondContact O-CA 3.43Å; D330-E366 HydrophobicContact CB-CB 4.36Å; D330-E366 HydrophobicContact CB-CG 3.98Å; D330-E366 PolarHBondContact N-OE2 3.27Å; D330-E366 PolarHBondContact O-N 3.2Å
331	A	98.4	Very high	98.4	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.017	23%	0.229	C	C	.	.			trans	-81.7	3.6	177.7	0	0	0	0	0	113.3	I270 I329 V333 C334 E335 Y362	I270-A331 HydrophobicContact CD1-CB 3.64Å; I270-A331 HydrophobicContact CG1-CB 4.24Å; I329-A331 PolarHBondContact O-N 3.41Å; A331-V333 PolarHBondContact O-N 3.41Å; A331-C334 HydrophobicContact CB-CB 4.21Å; A331-C334 WeakPolarHBondContact O-CB 3.14Å; A331-C334 PolarHBondContact O-N 3.5Å; A331-E335 HydrophobicContact CB-CG 4.2Å; A331-E335 WeakPolarHBondContact CB-OE1 3.39Å; A331-E335 PolarHBondContact N-OE1 3.35Å; A331-Y362 HydrophobicContact CB-CD1 4.33Å; A331-Y362 HydrophobicContact CB-CD2 4.29Å; A331-Y362 HydrophobicContact CB-CE1 4.32Å; A331-Y362 HydrophobicContact CB-CE2 4.28Å; A331-Y362 HydrophobicContact CB-CG 4.31Å; A331-Y362 WeakPolarHBondContact O-CB 3.43Å; A331-Y362 WeakPolarHBondContact O-CD1 3.48Å
332	G	98.2	Very high	98.3	Very high	17 Å²	17	42.6 Å²	42.6	18%	0.175	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	57	-120.7	176.2	0	0	0	0	0	112.1	D330 C334 E335 P363	D330-G332 PolarHBondContact O-N 3.35Å; D330-G332 WeakPolarHBondContact OD1-CA 3.31Å; D330-G332 PolarHBondContact OD1-N 3.05Å; G332-C334 PolarHBondContact O-N 2.84Å; G332-E335 WeakPolarHBondContact O-CG 3.3Å; G332-E335 PolarHBondContact O-N 3.33Å; G332-P363 WeakPolarHBondContact CA-O 3.43Å
333	V	97.9	Very high	98.3	Very high	50 Å²	50	39.3 Å²	39.3	30%	0.303	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-65.5	-15	177.9	-57.8	0	0	0	0	114	A331 M337 P363 K364	A331-V333 PolarHBondContact O-N 3.41Å; V333-M337 WeakPolarHBondContact O-CE 3.49Å; V333-P363 HydrophobicContact CG1-CB 4.45Å; V333-P363 HydrophobicContact CG2-CB 3.82Å; V333-P363 HydrophobicContact CG2-CG 4Å; V333-P363 PolarHBondContact N-O 3.32Å; V333-P363 VanDerWaalsContact N-O 3.08Å; V333-K364 HydrophobicContact CG1-CD 4.19Å; V333-K364 HydrophobicContact CG1-CG 4.5Å
334	C	98.3	Very high	98.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-96.9	7.1	179.6	-57.7	0	0	0	0	113.4	I270 A331 G332 M337 I342 Y362	I270-C334 HydrophobicContact CD1-CB 4.41Å; I270-C334 WeakPolarHBondContact CG1-O 3.31Å; A331-C334 HydrophobicContact CB-CB 4.21Å; A331-C334 WeakPolarHBondContact O-CB 3.14Å; A331-C334 PolarHBondContact O-N 3.5Å; G332-C334 PolarHBondContact O-N 2.84Å; C334-M337 HydrophobicContact CB-SD 4.41Å; C334-M337 PolarHBondContact O-N 3.46Å; C334-I342 HydrophobicContact CB-CD1 3.88Å; C334-I342 HydrophobicContact CB-CG1 4.01Å; C334-Y362 HydrophobicContact CB-CD1 3.95Å; C334-Y362 HydrophobicContact CB-CE1 3.89Å
335	E	98.1	Very high	98.1	Very high	55 Å²	55	41.3 Å²	41.3	26%	0.257	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	141.2	173.2	-78.3	-72.7	127.8	0	0	111.3	G271 G272 A331 G332 M337	G271-E335 WeakPolarHBondContact CA-OE2 3.48Å; G272-E335 PolarHBondContact N-OE2 3.35Å; A331-E335 HydrophobicContact CB-CG 4.2Å; A331-E335 WeakPolarHBondContact CB-OE1 3.39Å; A331-E335 PolarHBondContact N-OE1 3.35Å; G332-E335 WeakPolarHBondContact O-CG 3.3Å; G332-E335 PolarHBondContact O-N 3.33Å; E335-M337 PolarHBondContact O-N 3.26Å; E335-M337 VanDerWaalsContact O-N 3.12Å
336	E	97.8	Very high	98	Very high	110 Å²	110	44.4 Å²	44.4	51%	0.514	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	8	-178.8	-55.6	-173.2	-167.1	0	0	115.8	R269 I270	R269-E336 WeakPolarHBondContact CD-O 3.29Å; R269-E336 WeakPolarHBondContact CG-O 3.35Å; R269-E336 PolarHBondContact NH1-O 3.03Å; I270-E336 WeakPolarHBondContact O-CA 3.48Å; I270-E336 PolarHBondContact O-N 3.25Å
337	M	98.4	Very high	97.9	Very high	38 Å²	38	47.1 Å²	47.1	19%	0.187	23%	0.234	C	C	.	.			trans	-87.5	155	174.9	-63.4	-176.8	179.1	0	0	112.8	R269 I270 V333 C334 E335 E341 I342 Y346	R269-M337 WeakPolarHBondContact CA-O 3.33Å; I270-M337 PolarHBondContact N-O 2.9Å; V333-M337 WeakPolarHBondContact O-CE 3.49Å; C334-M337 HydrophobicContact CB-SD 4.41Å; C334-M337 PolarHBondContact O-N 3.46Å; E335-M337 PolarHBondContact O-N 3.26Å; E335-M337 VanDerWaalsContact O-N 3.12Å; M337-E341 WeakPolarHBondContact CA-OE2 3.48Å; M337-E341 HydrophobicContact CB-CB 4.2Å; M337-I342 HydrophobicContact CB-CD1 4.26Å; M337-I342 HydrophobicContact CB-CG1 3.81Å; M337-I342 HydrophobicContact SD-CG1 4.16Å; M337-Y346 HydrophobicContact CE-CE2 4.05Å; M337-Y346 HydrophobicContact SD-CE2 4.04Å
338	T	98.4	Very high	97.7	Very high	11 Å²	11	49.1 Å²	49.1	7%	0.067	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-79.9	167.1	162.3	79.9	0	0	0	0	110.9	R269 E340 E341 I342	R269-T338 HydrophobicContact CG-CG2 3.72Å; T338-E340 VanDerWaalsContact C-N 3.28Å; T338-E340 WeakPolarHBondContact CB-OE2 3.06Å; T338-E340 PolarHBondContact O-N 2.8Å; T338-E340 PolarHBondContact OG1-N 2.73Å; T338-E340 PolarHBondContact OG1-OE2 3.45Å; T338-E341 PolarHBondContact N-OE2 2.78Å; T338-E341 PolarHBondContact O-N 2.72Å; T338-E341 PolarHBondContact OG1-N 2.94Å; T338-I342 VanDerWaalsContact O-CG1 3.27Å; T338-I342 WeakPolarHBondContact O-CG1 3.12Å; T338-I342 PolarHBondContact O-N 2.81Å; T338-I342 VanDerWaalsContact O-N 3.1Å
339	Y	97.8	Very high	97.6	Very high	29 Å²	29	49.3 Å²	49.3	11%	0.114	24%	0.243	C	C	.	.	H	α-helix	trans	-67.3	-31.8	176.4	-78.5	-58.1	0	0	0	112.4	I270 I342 Q343 F350 V467	I270-Y339 HydrophobicContact CG2-CE1 4.22Å; I270-Y339 HydrophobicContact CG2-CE2 4.08Å; Y339-I342 HydrophobicContact CD1-CD1 4.27Å; Y339-I342 PolarHBondContact O-N 3.25Å; Y339-Q343 PolarHBondContact O-N 3.3Å; Y339-F350 AromaticContact CD1-CE2 3.87Å; Y339-F350 HydrophobicContact CD1-CE2 3.87Å; Y339-F350 HydrophobicContact CG-CE2 4.31Å; Y339-F350 WeakPolarHBondContact O-CE2 3.19Å; Y339-V467 HydrophobicContact CD2-CG1 4.02Å; Y339-V467 HydrophobicContact CD2-CG2 4.5Å; Y339-V467 HydrophobicContact CG-CG1 4.35Å; Y339-V467 HydrophobicContact CG-CG2 4.28Å
340	E	97.8	Very high	97.6	Very high	61 Å²	61	49 Å²	49	29%	0.285	24%	0.241	S	C	.	.	H	α-helix	trans	-63.4	-48.2	173.5	-60.3	74.3	-168.3	0	0	110.9	T338 I342 Q343 E344 L464 V467 H470	T338-E340 VanDerWaalsContact C-N 3.28Å; T338-E340 WeakPolarHBondContact CB-OE2 3.06Å; T338-E340 PolarHBondContact O-N 2.8Å; T338-E340 PolarHBondContact OG1-N 2.73Å; T338-E340 PolarHBondContact OG1-OE2 3.45Å; E340-I342 VanDerWaalsContact C-N 3.27Å; E340-I342 PolarHBondContact O-N 3.18Å; E340-Q343 PolarHBondContact O-N 2.88Å; E340-Q343 VanDerWaalsContact O-N 3.17Å; E340-E344 WeakPolarHBondContact O-CB 3.31Å; E340-E344 PolarHBondContact O-N 3.27Å; E340-L464 HydrophobicContact CB-CD1 4.49Å; E340-L464 HydrophobicContact CG-CD1 4.09Å; E340-L464 HydrophobicContact CG-CD2 4.15Å; E340-V467 VanDerWaalsContact OE1-CG1 3.3Å; E340-V467 WeakPolarHBondContact OE1-CG1 3.38Å; E340-H470 IonicContact OE1-CE1 3.79Å; E340-H470 PolarHBondContact OE1-CE1 2.63Å; E340-H470 IonicContact OE2-CE1 3.52Å; E340-H470 PolarHBondContact OE2-CE1 3.13Å; E340-H470 IonicContact OE2-NE2 2.77Å
341	E	98.1	Very high	97.5	Very high	49 Å²	49	45.7 Å²	45.7	23%	0.229	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-37.7	175.9	-70.2	172.1	158.6	0	0	111.3	R269 M337 T338 E344 H345	R269-E341 IonicContact CZ-OE1 3.63Å; R269-E341 IonicContact CZ-OE2 3.76Å; R269-E341 IonicContact NH1-OE1 3.07Å; R269-E341 PolarHBondContact NH1-OE1 3.38Å; R269-E341 IonicContact NH1-OE2 2.74Å; R269-E341 PolarHBondContact NH1-OE2 3.38Å; R269-E341 IonicContact NH2-OE1 3.51Å; R269-E341 PolarHBondContact NH2-OE1 2.93Å; R269-E341 IonicContact NH2-OE2 3.36Å; M337-E341 WeakPolarHBondContact CA-OE2 3.48Å; M337-E341 HydrophobicContact CB-CB 4.2Å; T338-E341 PolarHBondContact N-OE2 2.78Å; T338-E341 PolarHBondContact O-N 2.72Å; T338-E341 PolarHBondContact OG1-N 2.94Å; E341-E344 PolarHBondContact O-N 3.05Å; E341-H345 WeakPolarHBondContact O-CB 3.36Å; E341-H345 PolarHBondContact O-CD2 2.95Å; E341-H345 PolarHBondContact O-N 3.04Å
342	I	97.9	Very high	97.4	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-67.8	-42.6	175.7	-62.6	164.7	0	0	0	111	I270 C334 M337 T338 Y339 E340 E344 Y346 F350	I270-I342 HydrophobicContact CD1-CD1 3.62Å; I270-I342 HydrophobicContact CG1-CD1 4.39Å; C334-I342 HydrophobicContact CB-CD1 3.88Å; C334-I342 HydrophobicContact CB-CG1 4.01Å; M337-I342 HydrophobicContact CB-CD1 4.26Å; M337-I342 HydrophobicContact CB-CG1 3.81Å; M337-I342 HydrophobicContact SD-CG1 4.16Å; T338-I342 VanDerWaalsContact O-CG1 3.27Å; T338-I342 WeakPolarHBondContact O-CG1 3.12Å; T338-I342 PolarHBondContact O-N 2.81Å; T338-I342 VanDerWaalsContact O-N 3.1Å; Y339-I342 HydrophobicContact CD1-CD1 4.27Å; Y339-I342 PolarHBondContact O-N 3.25Å; E340-I342 VanDerWaalsContact C-N 3.27Å; E340-I342 PolarHBondContact O-N 3.18Å; I342-E344 VanDerWaalsContact C-N 3.32Å; I342-Y346 CarbonylContact O-C 3.17Å; I342-Y346 VanDerWaalsContact O-CA 3.24Å; I342-Y346 WeakPolarHBondContact O-CA 3.41Å; I342-Y346 WeakPolarHBondContact O-CB 3.47Å; I342-Y346 PolarHBondContact O-N 3.1Å; I342-F350 HydrophobicContact CB-CD2 4.18Å; I342-F350 HydrophobicContact CG2-CB 4.29Å; I342-F350 HydrophobicContact CG2-CD2 3.88Å
343	Q	96.9	Very high	97.4	Very high	19 Å²	19	46.2 Å²	46.2	9%	0.089	22%	0.221	C	C	.	.	H	α-helix	trans	-65	-36.8	176.6	175.2	58.9	30	0	0	111.6	Y339 E340 P347 F350 A460 A463 L464	Y339-Q343 PolarHBondContact O-N 3.3Å; E340-Q343 PolarHBondContact O-N 2.88Å; E340-Q343 VanDerWaalsContact O-N 3.17Å; Q343-P347 WeakPolarHBondContact O-CA 3.23Å; Q343-P347 WeakPolarHBondContact O-CB 3.5Å; Q343-P347 WeakPolarHBondContact O-CD 3.18Å; Q343-F350 HydrophobicContact CB-CD1 4.47Å; Q343-F350 HydrophobicContact CB-CD2 4.11Å; Q343-F350 HydrophobicContact CB-CE2 4.35Å; Q343-F350 HydrophobicContact CB-CG 4.17Å; Q343-F350 VanDerWaalsContact OE1-CG 3.25Å; Q343-A460 HydrophobicContact CG-CB 4.32Å; Q343-A463 HydrophobicContact CG-CB 4.27Å; Q343-L464 HydrophobicContact CB-CD2 3.95Å; Q343-L464 HydrophobicContact CB-CG 4.43Å; Q343-L464 HydrophobicContact CG-CD1 4.47Å; Q343-L464 HydrophobicContact CG-CD2 4.33Å; Q343-L464 HydrophobicContact CG-CG 4.28Å
344	E	96.9	Very high	97.3	Very high	147 Å²	147	44 Å²	44	69%	0.687	21%	0.207	S	C	*	.	H	α-helix	trans	-69.5	-48.7	177.6	-175.4	-179.2	171.9	0	0	112	E340 E341 I342	E340-E344 WeakPolarHBondContact O-CB 3.31Å; E340-E344 PolarHBondContact O-N 3.27Å; E341-E344 PolarHBondContact O-N 3.05Å; I342-E344 VanDerWaalsContact C-N 3.32Å
345	H	97.2	Very high	97.2	Very high	108 Å²	108	48 Å²	48	50%	0.5	23%	0.226	S	C	.	.	H	α-helix	trans	-87.1	-28.4	-174	-63	-43.5	0	0	0	113.9	E341	E341-H345 WeakPolarHBondContact O-CB 3.36Å; E341-H345 PolarHBondContact O-CD2 2.95Å; E341-H345 PolarHBondContact O-N 3.04Å
346	Y	96.8	Very high	97.1	Very high	86 Å²	86	46.9 Å²	46.9	34%	0.337	22%	0.222	S	C	.	.			trans	-138.9	58.2	-174.6	-51.2	-76	0	0	0	112.5	M337 I342 E348 E349 F350	M337-Y346 HydrophobicContact CE-CE2 4.05Å; M337-Y346 HydrophobicContact SD-CE2 4.04Å; I342-Y346 CarbonylContact O-C 3.17Å; I342-Y346 VanDerWaalsContact O-CA 3.24Å; I342-Y346 WeakPolarHBondContact O-CA 3.41Å; I342-Y346 WeakPolarHBondContact O-CB 3.47Å; I342-Y346 PolarHBondContact O-N 3.1Å; Y346-E348 VanDerWaalsContact C-N 3.3Å; Y346-E348 PolarHBondContact O-N 3.18Å; Y346-E349 PolarHBondContact O-N 3.11Å; Y346-F350 PolarHBondContact O-N 3.43Å
347	P	95.7	Very high	97.1	Very high	58 Å²	58	42 Å²	42	38%	0.377	20%	0.199	S	C	.	.	H	α-helix	trans	-58.8	-37.4	-175.2	21.8	-33.4	0	0	0	113.5	Q343 F350 A351	Q343-P347 WeakPolarHBondContact O-CA 3.23Å; Q343-P347 WeakPolarHBondContact O-CB 3.5Å; Q343-P347 WeakPolarHBondContact O-CD 3.18Å; P347-F350 PolarHBondContact O-N 3.46Å; P347-A351 PolarHBondContact O-N 3.24Å; P347-A351 VanDerWaalsContact O-N 3.07Å
348	E	95.5	Very high	97.1	Very high	73 Å²	73	41.1 Å²	41.1	34%	0.341	19%	0.194	S	C	.	.	H	α-helix	trans	-64.2	-43.9	176.2	-176.7	175.6	-169.7	0	0	111.7	R12 Y346 F350 A351 L352 I456	R12-E348 WeakPolarHBondContact CD-OE1 3.32Å; R12-E348 IonicContact CZ-OE1 3.55Å; R12-E348 IonicContact NE-OE1 3.17Å; R12-E348 IonicContact NH1-OE1 2.72Å; R12-E348 PolarHBondContact NH1-OE1 3.21Å; Y346-E348 VanDerWaalsContact C-N 3.3Å; Y346-E348 PolarHBondContact O-N 3.18Å; E348-F350 VanDerWaalsContact C-N 3.34Å; E348-F350 PolarHBondContact O-N 2.86Å; E348-A351 PolarHBondContact O-N 3.21Å; E348-L352 HydrophobicContact CG-CD1 3.89Å; E348-L352 HydrophobicContact CG-CG 4.27Å; E348-L352 WeakPolarHBondContact O-CB 3.33Å; E348-L352 WeakPolarHBondContact O-CG 3.36Å; E348-L352 PolarHBondContact O-N 3.47Å; E348-I456 HydrophobicContact CB-CG2 4.29Å; E348-I456 HydrophobicContact CG-CD1 4.37Å; E348-I456 HydrophobicContact CG-CG2 4.24Å
349	E	97.3	Very high	97.1	Very high	31 Å²	31	45.2 Å²	45.2	15%	0.145	21%	0.208	C	C	.	.	H	α-helix	trans	-66	-39.1	178.8	-68.4	-66	143	0	0	111.6	K15 Y346 L352 R353 Y360 P363	K15-E349 VanDerWaalsContact CE-OE1 3.28Å; K15-E349 WeakPolarHBondContact CE-OE1 3.19Å; K15-E349 WeakPolarHBondContact CE-OE2 3.34Å; K15-E349 IonicContact NZ-OE1 3.65Å; K15-E349 PolarHBondContact NZ-OE1 3.28Å; K15-E349 IonicContact NZ-OE2 2.69Å; K15-E349 PolarHBondContact NZ-OE2 2.86Å; Y346-E349 PolarHBondContact O-N 3.11Å; E349-L352 PolarHBondContact O-N 3.27Å; E349-R353 WeakPolarHBondContact O-CB 3.46Å; E349-R353 PolarHBondContact O-N 3.11Å; E349-Y360 HydrophobicContact CB-CE2 4.49Å; E349-Y360 WeakPolarHBondContact O-CE2 3.22Å; E349-Y360 WeakPolarHBondContact OE2-CE2 3.38Å; E349-Y360 VanDerWaalsContact OE2-CZ 3.25Å; E349-Y360 PolarHBondContact OE2-OH 3.18Å; E349-P363 HydrophobicContact CG-CG 4.25Å
350	F	96.9	Very high	97.1	Very high	9 Å²	9	44 Å²	44	4%	0.039	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-46.4	176.2	-167.7	-86.3	0	0	0	111.6	Y339 I342 Q343 Y346 P347 E348 R353 D354 R448 A463 L464 V467	Y339-F350 AromaticContact CD1-CE2 3.87Å; Y339-F350 HydrophobicContact CD1-CE2 3.87Å; Y339-F350 HydrophobicContact CG-CE2 4.31Å; Y339-F350 WeakPolarHBondContact O-CE2 3.19Å; I342-F350 HydrophobicContact CB-CD2 4.18Å; I342-F350 HydrophobicContact CG2-CB 4.29Å; I342-F350 HydrophobicContact CG2-CD2 3.88Å; Q343-F350 HydrophobicContact CB-CD1 4.47Å; Q343-F350 HydrophobicContact CB-CD2 4.11Å; Q343-F350 HydrophobicContact CB-CE2 4.35Å; Q343-F350 HydrophobicContact CB-CG 4.17Å; Q343-F350 VanDerWaalsContact OE1-CG 3.25Å; Y346-F350 PolarHBondContact O-N 3.43Å; P347-F350 PolarHBondContact O-N 3.46Å; E348-F350 VanDerWaalsContact C-N 3.34Å; E348-F350 PolarHBondContact O-N 2.86Å; F350-R353 PolarHBondContact O-N 2.88Å; F350-D354 PolarHBondContact O-N 2.79Å; F350-R448 VanDerWaalsContact CE1-NH2 3.33Å; F350-A463 HydrophobicContact CD1-CB 4.25Å; F350-A463 HydrophobicContact CE1-CB 3.96Å; F350-A463 WeakPolarHBondContact CE1-O 3.49Å; F350-L464 HydrophobicContact CZ-CD2 4.12Å; F350-V467 HydrophobicContact CZ-CG2 4.24Å
351	A	96.2	Very high	97.1	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.017	20%	0.199	C	C	.	.	H	α-helix	trans	-67.7	-44.1	176.4	0	0	0	0	0	112.9	P347 E348 R353 D354 Q355 I456	P347-A351 PolarHBondContact O-N 3.24Å; P347-A351 VanDerWaalsContact O-N 3.07Å; E348-A351 PolarHBondContact O-N 3.21Å; A351-R353 PolarHBondContact O-N 3.1Å; A351-D354 PolarHBondContact O-N 3.3Å; A351-Q355 WeakPolarHBondContact O-CG 3.33Å; A351-Q355 PolarHBondContact O-N 3.44Å; A351-I456 HydrophobicContact CB-CB 4.15Å; A351-I456 HydrophobicContact CB-CG1 3.72Å
352	L	97	Very high	97.2	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.063	19%	0.19	C	C	.	.	H	α-helix	trans	-57.8	-38.2	176.2	-75	171.2	0	0	0	111.9	R12 L13 E348 E349 D354 Q355 D356 Y360 I456	R12-L352 HydrophobicContact CB-CD1 3.92Å; R12-L352 HydrophobicContact CB-CD2 4.46Å; L13-L352 WeakPolarHBondContact CD1-O 3.33Å; E348-L352 HydrophobicContact CG-CD1 3.89Å; E348-L352 HydrophobicContact CG-CG 4.27Å; E348-L352 WeakPolarHBondContact O-CB 3.33Å; E348-L352 WeakPolarHBondContact O-CG 3.36Å; E348-L352 PolarHBondContact O-N 3.47Å; E349-L352 PolarHBondContact O-N 3.27Å; L352-D354 VanDerWaalsContact C-N 3.32Å; L352-Q355 PolarHBondContact O-N 2.73Å; L352-D356 PolarHBondContact O-N 2.82Å; L352-Y360 HydrophobicContact CB-CD2 3.95Å; L352-Y360 HydrophobicContact CB-CE2 4.05Å; L352-I456 HydrophobicContact CD2-CD1 4.38Å
353	R	97.8	Very high	97.2	Very high	19 Å²	19	42.8 Å²	42.8	7%	0.072	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-33.8	175.4	-174.1	171.5	-176.8	-91.3	12.2	112.9	E349 F350 A351 K357 Y360 Y362	E349-R353 WeakPolarHBondContact O-CB 3.46Å; E349-R353 PolarHBondContact O-N 3.11Å; F350-R353 PolarHBondContact O-N 2.88Å; A351-R353 PolarHBondContact O-N 3.1Å; R353-K357 HydrophobicContact CG-CG 4.32Å; R353-K357 WeakPolarHBondContact O-CA 2.98Å; R353-K357 VanDerWaalsContact O-CB 3.22Å; R353-K357 WeakPolarHBondContact O-CB 3.48Å; R353-K357 PolarHBondContact O-N 3.4Å; R353-K357 VanDerWaalsContact O-N 3.1Å; R353-Y360 VanDerWaalsContact CA-CG 3.5Å; R353-Y360 HydrophobicContact CB-CD1 3.6Å; R353-Y360 HydrophobicContact CB-CD2 3.84Å; R353-Y360 HydrophobicContact CB-CE1 3.79Å; R353-Y360 HydrophobicContact CB-CE2 4.01Å; R353-Y360 HydrophobicContact CB-CG 3.63Å; R353-Y360 HydrophobicContact CG-CD1 3.47Å; R353-Y360 VanDerWaalsContact CG-CD1 3.47Å; R353-Y360 HydrophobicContact CG-CE1 3.88Å; R353-Y360 HydrophobicContact CG-CG 3.86Å; R353-Y362 WeakPolarHBondContact CD-OH 3.46Å; R353-Y362 VanDerWaalsContact CZ-OH 3.3Å; R353-Y362 PolarHBondContact NE-OH 2.89Å
354	D	96.4	Very high	97.2	Very high	2 Å²	2	51 Å²	51	1%	0.011	23%	0.233	C	C	.	.	H	α-helix	trans	-74.2	-32.3	176.8	-77.4	-19.5	0	0	0	112.9	F350 A351 L352 R448 P451 V454 R458	F350-D354 PolarHBondContact O-N 2.79Å; A351-D354 PolarHBondContact O-N 3.3Å; L352-D354 VanDerWaalsContact C-N 3.32Å; D354-R448 IonicContact OD1-CZ 2.72Å; D354-R448 IonicContact OD1-NH1 3.33Å; D354-R448 PolarHBondContact OD1-NH1 3.18Å; D354-R448 IonicContact OD1-NH2 3.55Å; D354-R448 PolarHBondContact OD1-NH2 2.85Å; D354-R448 IonicContact OD2-CZ 2.84Å; D354-R448 IonicContact OD2-NH1 2.76Å; D354-R448 IonicContact OD2-NH2 3.43Å; D354-R448 PolarHBondContact OD2-NH2 3.17Å; D354-P451 HydrophobicContact CB-CG 3.83Å; D354-P451 WeakPolarHBondContact OD2-CG 3.43Å; D354-V454 HydrophobicContact CB-CB 4.24Å; D354-V454 HydrophobicContact CB-CG1 3.85Å; D354-R458 IonicContact OD2-CZ 3.39Å; D354-R458 IonicContact OD2-NH1 3.25Å; D354-R458 PolarHBondContact OD2-NH1 2.99Å; D354-R458 VanDerWaalsContact OD2-NH1 3.17Å; D354-R458 IonicContact OD2-NH2 2.69Å; D354-R458 PolarHBondContact OD2-NH2 3.36Å
355	Q	95.4	Very high	97.2	Very high	84 Å²	84	44.7 Å²	44.7	39%	0.393	21%	0.207	S	C	.	.	H	α-helix	trans	-65.1	-49.5	177.9	-70.2	170.5	12.7	0	0	112.6	A351 L352 V454	A351-Q355 WeakPolarHBondContact O-CG 3.33Å; A351-Q355 PolarHBondContact O-N 3.44Å; L352-Q355 PolarHBondContact O-N 2.73Å; Q355-V454 HydrophobicContact CB-CG2 4.47Å; Q355-V454 HydrophobicContact CG-CB 3.77Å; Q355-V454 HydrophobicContact CG-CG2 3.65Å; Q355-V454 WeakPolarHBondContact CG-O 3.23Å; Q355-V454 PolarHBondContact NE2-O 3.17Å
356	D	96.6	Very high	97.3	Very high	33 Å²	33	41.3 Å²	41.3	18%	0.176	19%	0.191	C	C	.	.			trans	-140.7	80.9	175.9	-175.1	-15.4	0	0	0	110.2	L13 L352 Y358 R359 Y360	L13-D356 HydrophobicContact CD1-CB 4.02Å; L13-D356 HydrophobicContact CD2-CB 3.83Å; L352-D356 PolarHBondContact O-N 2.82Å; D356-Y358 PolarHBondContact O-N 3.23Å; D356-Y358 PolarHBondContact OD1-N 3.17Å; D356-R359 PolarHBondContact O-N 2.97Å; D356-R359 PolarHBondContact OD1-N 3.28Å; D356-R359 WeakPolarHBondContact OD2-CD 3.48Å; D356-R359 WeakPolarHBondContact OD2-CG 3.1Å; D356-R359 IonicContact OD2-CZ 2.87Å; D356-R359 IonicContact OD2-NH1 3.61Å; D356-R359 PolarHBondContact OD2-NH1 3.02Å; D356-Y360 WeakPolarHBondContact O-CB 3.44Å; D356-Y360 PolarHBondContact O-N 3.25Å
357	K	98.3	Very high	97.4	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.035	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.6	-177.7	-161.9	172.3	-179.6	173.9	0	114	R353 Y368 P413 Y414	R353-K357 HydrophobicContact CG-CG 4.32Å; R353-K357 WeakPolarHBondContact O-CA 2.98Å; R353-K357 VanDerWaalsContact O-CB 3.22Å; R353-K357 WeakPolarHBondContact O-CB 3.48Å; R353-K357 PolarHBondContact O-N 3.4Å; R353-K357 VanDerWaalsContact O-N 3.1Å; K357-Y368 HydrophobicContact CG-CE2 4.45Å; K357-Y368 WeakPolarHBondContact O-CD2 3.45Å; K357-P413 HydrophobicContact CB-CB 4.03Å; K357-P413 HydrophobicContact CB-CG 4.33Å; K357-P413 HydrophobicContact CD-CB 3.79Å; K357-P413 HydrophobicContact CG-CB 3.77Å; K357-P413 HydrophobicContact CG-CG 4.49Å; K357-Y414 HydrophobicContact CB-CE2 4.28Å; K357-Y414 WeakPolarHBondContact CB-OH 3.37Å; K357-Y414 HydrophobicContact CD-CD1 4.33Å; K357-Y414 HydrophobicContact CD-CE1 3.54Å; K357-Y414 HydrophobicContact CD-CE2 4.15Å; K357-Y414 VanDerWaalsContact CD-CZ 3.44Å; K357-Y414 WeakPolarHBondContact CD-OH 3.39Å
358	Y	98.3	Very high	97.5	Very high	18 Å²	18	34.7 Å²	34.7	7%	0.071	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-49.6	179.5	177.9	-101.6	0	0	0	111.1	D356 Y368 E369 V372 S409 L412 P413	D356-Y358 PolarHBondContact O-N 3.23Å; D356-Y358 PolarHBondContact OD1-N 3.17Å; Y358-Y368 PolarHBondContact O-N 3.41Å; Y358-E369 HydrophobicContact CD1-CB 4.47Å; Y358-E369 HydrophobicContact CE1-CB 3.85Å; Y358-E369 HydrophobicContact CE1-CG 4.19Å; Y358-E369 PolarHBondContact O-N 2.98Å; Y358-V372 HydrophobicContact CE2-CG2 4.3Å; Y358-S409 WeakPolarHBondContact CB-O 3.35Å; Y358-S409 WeakPolarHBondContact CD2-O 3.4Å; Y358-L412 HydrophobicContact CE2-CD1 4.2Å; Y358-P413 HydrophobicContact CD2-CG 4.37Å
359	R	97.6	Very high	97.6	Very high	97 Å²	97	33.9 Å²	33.9	37%	0.366	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-20.3	-176.5	-59.4	-170.8	-178.8	91	0.1	114.1	L13 Q14 D356 R361	L13-R359 HydrophobicContact CD2-CB 3.99Å; Q14-R359 HydrophobicContact CG-CB 4.26Å; D356-R359 PolarHBondContact O-N 2.97Å; D356-R359 PolarHBondContact OD1-N 3.28Å; D356-R359 WeakPolarHBondContact OD2-CD 3.48Å; D356-R359 WeakPolarHBondContact OD2-CG 3.1Å; D356-R359 IonicContact OD2-CZ 2.87Å; D356-R359 IonicContact OD2-NH1 3.61Å; D356-R359 PolarHBondContact OD2-NH1 3.02Å; R359-R361 PolarHBondContact O-N 3.41Å
360	Y	98.3	Very high	97.7	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.016	16%	0.158	C	C	.	.			trans	-54.6	124.6	176.6	171.5	-90.6	0	0	0	110.7	L13 E349 L352 R353 D356 Y362 S367	L13-Y360 HydrophobicContact CD1-CD2 4.31Å; E349-Y360 HydrophobicContact CB-CE2 4.49Å; E349-Y360 WeakPolarHBondContact O-CE2 3.22Å; E349-Y360 WeakPolarHBondContact OE2-CE2 3.38Å; E349-Y360 VanDerWaalsContact OE2-CZ 3.25Å; E349-Y360 PolarHBondContact OE2-OH 3.18Å; L352-Y360 HydrophobicContact CB-CD2 3.95Å; L352-Y360 HydrophobicContact CB-CE2 4.05Å; R353-Y360 VanDerWaalsContact CA-CG 3.5Å; R353-Y360 HydrophobicContact CB-CD1 3.6Å; R353-Y360 HydrophobicContact CB-CD2 3.84Å; R353-Y360 HydrophobicContact CB-CE1 3.79Å; R353-Y360 HydrophobicContact CB-CE2 4.01Å; R353-Y360 HydrophobicContact CB-CG 3.63Å; R353-Y360 HydrophobicContact CG-CD1 3.47Å; R353-Y360 VanDerWaalsContact CG-CD1 3.47Å; R353-Y360 HydrophobicContact CG-CE1 3.88Å; R353-Y360 HydrophobicContact CG-CG 3.86Å; D356-Y360 WeakPolarHBondContact O-CB 3.44Å; D356-Y360 PolarHBondContact O-N 3.25Å; Y360-Y362 HydrophobicContact CD1-CD2 4.49Å; Y360-Y362 AromaticContact CE1-CD1 3.78Å; Y360-Y362 HydrophobicContact CE1-CD1 3.78Å; Y360-Y362 AromaticContact CE1-CD2 3.93Å; Y360-Y362 HydrophobicContact CE1-CD2 3.93Å; Y360-Y362 HydrophobicContact CE1-CE1 4.03Å; Y360-Y362 HydrophobicContact CE1-CE2 4.17Å; Y360-Y362 AromaticContact CE1-CG 3.74Å; Y360-Y362 HydrophobicContact CE1-CG 3.74Å; Y360-S367 VanDerWaalsContact O-CA 3.23Å; Y360-S367 WeakPolarHBondContact O-CA 3.42Å; Y360-S367 WeakPolarHBondContact O-CB 3.39Å
361	R	98.8	Very high	97.8	Very high	54 Å²	54	34 Å²	34	20%	0.204	16%	0.156	C	C	.	.			trans	-107.1	125.2	173.7	-174.6	176.3	-70	135	-3.5	109.3	L13 Q14 K15 R359 G365 D370	L13-R361 PolarHBondContact O-N 2.78Å; Q14-R361 PolarHBondContact O-NH1 3.47Å; K15-R361 HydrophobicContact CB-CB 4.46Å; K15-R361 HydrophobicContact CG-CB 4.15Å; K15-R361 HydrophobicContact CG-CG 4.49Å; K15-R361 WeakPolarHBondContact CG-O 3.38Å; K15-R361 PolarHBondContact NZ-O 2.84Å; R359-R361 PolarHBondContact O-N 3.41Å; R361-G365 WeakPolarHBondContact CG-O 3.34Å; R361-D370 IonicContact CZ-OD1 3.38Å; R361-D370 IonicContact CZ-OD2 3.4Å; R361-D370 IonicContact NE-OD1 3.49Å; R361-D370 IonicContact NE-OD2 3.2Å; R361-D370 PolarHBondContact NE-OD2 3.3Å; R361-D370 IonicContact NH2-OD1 3.44Å; R361-D370 PolarHBondContact NH2-OD1 2.97Å; R361-D370 IonicContact NH2-OD2 2.72Å; R361-D370 PolarHBondContact NH2-OD2 2.97Å
362	Y	98.5	Very high	97.8	Very high	6 Å²	6	33.9 Å²	33.9	2%	0.024	16%	0.156	C	C	.	.			trans	-58.2	142.5	170.8	-81	-79.5	0	0	0	110.4	A331 C334 R353 Y360 K364 G365 E366	A331-Y362 HydrophobicContact CB-CD1 4.33Å; A331-Y362 HydrophobicContact CB-CD2 4.29Å; A331-Y362 HydrophobicContact CB-CE1 4.32Å; A331-Y362 HydrophobicContact CB-CE2 4.28Å; A331-Y362 HydrophobicContact CB-CG 4.31Å; A331-Y362 WeakPolarHBondContact O-CB 3.43Å; A331-Y362 WeakPolarHBondContact O-CD1 3.48Å; C334-Y362 HydrophobicContact CB-CD1 3.95Å; C334-Y362 HydrophobicContact CB-CE1 3.89Å; R353-Y362 WeakPolarHBondContact CD-OH 3.46Å; R353-Y362 VanDerWaalsContact CZ-OH 3.3Å; R353-Y362 PolarHBondContact NE-OH 2.89Å; Y360-Y362 HydrophobicContact CD1-CD2 4.49Å; Y360-Y362 AromaticContact CE1-CD1 3.78Å; Y360-Y362 HydrophobicContact CE1-CD1 3.78Å; Y360-Y362 AromaticContact CE1-CD2 3.93Å; Y360-Y362 HydrophobicContact CE1-CD2 3.93Å; Y360-Y362 HydrophobicContact CE1-CE1 4.03Å; Y360-Y362 HydrophobicContact CE1-CE2 4.17Å; Y360-Y362 AromaticContact CE1-CG 3.74Å; Y360-Y362 HydrophobicContact CE1-CG 3.74Å; Y362-K364 PolarHBondContact O-N 3.31Å; Y362-K364 VanDerWaalsContact O-N 3.12Å; Y362-G365 PolarHBondContact O-N 3.23Å; Y362-E366 PolarHBondContact N-O 3.08Å
363	P	97.9	Very high	97.7	Very high	29 Å²	29	37.4 Å²	37.4	19%	0.188	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	121.4	174.6	-19.6	29.3	0	0	0	110.6	G332 V333 E349 G365	G332-P363 WeakPolarHBondContact CA-O 3.43Å; V333-P363 HydrophobicContact CG1-CB 4.45Å; V333-P363 HydrophobicContact CG2-CB 3.82Å; V333-P363 HydrophobicContact CG2-CG 4Å; V333-P363 PolarHBondContact N-O 3.32Å; V333-P363 VanDerWaalsContact N-O 3.08Å; E349-P363 HydrophobicContact CG-CG 4.25Å; P363-G365 PolarHBondContact O-N 3.26Å
364	K	97.2	Very high	97.7	Very high	192 Å²	192	39.2 Å²	39.2	84%	0.835	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	19.4	-173.1	-52.9	179.3	179.1	175.8	0	114.8	V333 Y362	V333-K364 HydrophobicContact CG1-CD 4.19Å; V333-K364 HydrophobicContact CG1-CG 4.5Å; Y362-K364 PolarHBondContact O-N 3.31Å; Y362-K364 VanDerWaalsContact O-N 3.12Å
365	G	98.2	Very high	97.8	Very high	14 Å²	14	39.1 Å²	39.1	14%	0.144	18%	0.178	C	C	.	.	S	Bend	trans	-124.9	-153.2	177	0	0	0	0	0	112.2	D330 R361 Y362 P363	D330-G365 CarbonylContact O-C 3.59Å; D330-G365 WeakPolarHBondContact O-CA 3.43Å; R361-G365 WeakPolarHBondContact CG-O 3.34Å; Y362-G365 PolarHBondContact O-N 3.23Å; P363-G365 PolarHBondContact O-N 3.26Å
366	E	98.6	Very high	97.9	Very high	36 Å²	36	36.2 Å²	36.2	17%	0.168	17%	0.165	C	C	.	.			trans	-112.8	160.6	-174.5	-72.4	178.7	133	0	0	112.4	I329 D330 Y362 D370 R374	I329-E366 HydrophobicContact CG1-CB 3.78Å; D330-E366 HydrophobicContact CB-CB 4.36Å; D330-E366 HydrophobicContact CB-CG 3.98Å; D330-E366 PolarHBondContact N-OE2 3.27Å; D330-E366 PolarHBondContact O-N 3.2Å; Y362-E366 PolarHBondContact N-O 3.08Å; E366-D370 HydrophobicContact CB-CB 4.11Å; E366-D370 HydrophobicContact CG-CB 4.21Å; E366-R374 IonicContact OE1-CZ 3.24Å; E366-R374 IonicContact OE1-NE 2.8Å; E366-R374 PolarHBondContact OE1-NE 3.31Å; E366-R374 IonicContact OE1-NH2 3.96Å; E366-R374 PolarHBondContact OE1-NH2 3.21Å; E366-R374 IonicContact OE2-CZ 3.22Å; E366-R374 IonicContact OE2-NE 3.21Å; E366-R374 IonicContact OE2-NH2 3.47Å; E366-R374 PolarHBondContact OE2-NH2 2.9Å
367	S	98.8	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.178	C	C	.	.			trans	-104	173.6	160.6	69.4	0	0	0	0	111.3	Y360 E369 D370 L371	Y360-S367 VanDerWaalsContact O-CA 3.23Å; Y360-S367 WeakPolarHBondContact O-CA 3.42Å; Y360-S367 WeakPolarHBondContact O-CB 3.39Å; S367-E369 PolarHBondContact O-N 3.01Å; S367-E369 WeakPolarHBondContact OG-CB 3.45Å; S367-E369 PolarHBondContact OG-N 2.91Å; S367-D370 PolarHBondContact N-OD2 3.12Å; S367-D370 PolarHBondContact O-N 2.75Å; S367-D370 PolarHBondContact OG-N 3.25Å; S367-D370 PolarHBondContact OG-OD2 3.22Å; S367-L371 PolarHBondContact O-N 3.44Å; S367-L371 VanDerWaalsContact O-N 3.11Å
368	Y	98.7	Very high	97.9	Very high	5 Å²	5	37.7 Å²	37.7	2%	0.02	18%	0.177	C	C	.	.	H	α-helix	trans	-66.3	-29.9	168.5	-84	-90.5	0	0	0	111.8	I329 K357 Y358 L371 V372 A395 R398 L412 P413	I329-Y368 HydrophobicContact CD1-CD2 4.31Å; K357-Y368 HydrophobicContact CG-CE2 4.45Å; K357-Y368 WeakPolarHBondContact O-CD2 3.45Å; Y358-Y368 PolarHBondContact O-N 3.41Å; Y368-L371 HydrophobicContact CD1-CD2 4.49Å; Y368-L371 WeakPolarHBondContact O-CB 3.47Å; Y368-L371 PolarHBondContact O-N 2.84Å; Y368-V372 WeakPolarHBondContact O-CG2 3.39Å; Y368-V372 PolarHBondContact O-N 3.36Å; Y368-A395 HydrophobicContact CD1-CB 4.46Å; Y368-A395 HydrophobicContact CE1-CB 3.61Å; Y368-A395 WeakPolarHBondContact OH-CB 3.46Å; Y368-R398 HydrophobicContact CE1-CB 4.28Å; Y368-R398 PolarHBondContact OH-NH1 3.21Å; Y368-R398 VanDerWaalsContact OH-NH1 3.09Å; Y368-L412 HydrophobicContact CD1-CD2 3.27Å; Y368-L412 HydrophobicContact CE1-CD2 3.78Å; Y368-L412 HydrophobicContact CG-CD2 4.01Å; Y368-P413 HydrophobicContact CD2-CB 4.01Å; Y368-P413 HydrophobicContact CD2-CG 4.05Å; Y368-P413 HydrophobicContact CE1-CB 4.47Å; Y368-P413 HydrophobicContact CE2-CB 3.78Å; Y368-P413 HydrophobicContact CE2-CG 4.33Å; Y368-P413 HydrophobicContact CG-CB 4.46Å; Y368-P413 HydrophobicContact CG-CG 4.18Å
369	E	97.8	Very high	97.9	Very high	57 Å²	57	36.8 Å²	36.8	27%	0.266	17%	0.173	S	C	.	.	H	α-helix	trans	-62.2	-42	172.8	-175	172	-122.5	0	0	111.6	Y358 S367 L371 V372 Q373	Y358-E369 HydrophobicContact CD1-CB 4.47Å; Y358-E369 HydrophobicContact CE1-CB 3.85Å; Y358-E369 HydrophobicContact CE1-CG 4.19Å; Y358-E369 PolarHBondContact O-N 2.98Å; S367-E369 PolarHBondContact O-N 3.01Å; S367-E369 WeakPolarHBondContact OG-CB 3.45Å; S367-E369 PolarHBondContact OG-N 2.91Å; E369-L371 VanDerWaalsContact C-N 3.32Å; E369-L371 PolarHBondContact O-N 3.47Å; E369-V372 PolarHBondContact O-N 3.05Å; E369-Q373 WeakPolarHBondContact O-CG 3.34Å; E369-Q373 PolarHBondContact O-N 3.22Å
370	D	98.4	Very high	97.8	Very high	41 Å²	41	32.4 Å²	32.4	22%	0.219	16%	0.157	C	C	.	.	H	α-helix	trans	-63	-41.3	172.9	-63	-38.5	0	0	0	111.4	R361 E366 S367 V372 Q373 R374	R361-D370 IonicContact CZ-OD1 3.38Å; R361-D370 IonicContact CZ-OD2 3.4Å; R361-D370 IonicContact NE-OD1 3.49Å; R361-D370 IonicContact NE-OD2 3.2Å; R361-D370 PolarHBondContact NE-OD2 3.3Å; R361-D370 IonicContact NH2-OD1 3.44Å; R361-D370 PolarHBondContact NH2-OD1 2.97Å; R361-D370 IonicContact NH2-OD2 2.72Å; R361-D370 PolarHBondContact NH2-OD2 2.97Å; E366-D370 HydrophobicContact CB-CB 4.11Å; E366-D370 HydrophobicContact CG-CB 4.21Å; S367-D370 PolarHBondContact N-OD2 3.12Å; S367-D370 PolarHBondContact O-N 2.75Å; S367-D370 PolarHBondContact OG-N 3.25Å; S367-D370 PolarHBondContact OG-OD2 3.22Å; D370-V372 PolarHBondContact O-N 2.84Å; D370-Q373 PolarHBondContact O-N 3.46Å; D370-R374 PolarHBondContact O-N 3.11Å
371	L	98.2	Very high	97.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.9	-40.4	-179.8	-168.6	57.9	0	0	0	112.3	I329 S367 Y368 E369 R374 L375 A395 V396	I329-L371 HydrophobicContact CB-CD2 4.29Å; S367-L371 PolarHBondContact O-N 3.44Å; S367-L371 VanDerWaalsContact O-N 3.11Å; Y368-L371 HydrophobicContact CD1-CD2 4.49Å; Y368-L371 WeakPolarHBondContact O-CB 3.47Å; Y368-L371 PolarHBondContact O-N 2.84Å; E369-L371 VanDerWaalsContact C-N 3.32Å; E369-L371 PolarHBondContact O-N 3.47Å; L371-R374 PolarHBondContact O-N 3.48Å; L371-L375 HydrophobicContact CD1-CD1 4.14Å; L371-L375 HydrophobicContact CD1-CG 4.3Å; L371-L375 HydrophobicContact CG-CD1 3.81Å; L371-L375 HydrophobicContact CG-CG 4.39Å; L371-L375 VanDerWaalsContact O-CB 3.29Å; L371-L375 WeakPolarHBondContact O-CB 3.1Å; L371-L375 VanDerWaalsContact O-CG 3.23Å; L371-L375 WeakPolarHBondContact O-CG 3.44Å; L371-L375 PolarHBondContact O-N 3.15Å; L371-A395 HydrophobicContact CD2-CB 3.79Å; L371-V396 HydrophobicContact CD1-CG2 4.13Å; L371-V396 HydrophobicContact CD2-CG2 4.24Å
372	V	97.9	Very high	97.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.6	-48.7	173	161	0	0	0	0	110.9	W68 Y358 Y368 E369 D370 R374 L375 E376 L412	W68-V372 HydrophobicContact CD2-CG1 4.1Å; W68-V372 HydrophobicContact CE3-CG1 4.06Å; W68-V372 HydrophobicContact CH2-CB 4.49Å; W68-V372 HydrophobicContact CH2-CG1 4.12Å; W68-V372 WeakPolarHBondContact CH2-O 3.32Å; W68-V372 HydrophobicContact CZ2-CB 4.33Å; W68-V372 HydrophobicContact CZ2-CG1 4.18Å; W68-V372 HydrophobicContact CZ2-CG2 4.13Å; W68-V372 HydrophobicContact CZ3-CG1 4.05Å; W68-V372 WeakPolarHBondContact O-CG1 3.31Å; Y358-V372 HydrophobicContact CE2-CG2 4.3Å; Y368-V372 WeakPolarHBondContact O-CG2 3.39Å; Y368-V372 PolarHBondContact O-N 3.36Å; E369-V372 PolarHBondContact O-N 3.05Å; D370-V372 PolarHBondContact O-N 2.84Å; V372-R374 VanDerWaalsContact C-N 3.34Å; V372-R374 PolarHBondContact O-N 3.32Å; V372-L375 PolarHBondContact O-N 3.03Å; V372-E376 PolarHBondContact O-N 3.37Å; V372-E376 VanDerWaalsContact O-N 3.13Å; V372-L412 HydrophobicContact CG2-CD1 4.15Å
373	Q	95	Very high	97.4	Very high	87 Å²	87	31 Å²	31	41%	0.407	15%	0.153	S	C	.	.	H	α-helix	trans	-62.2	-42.3	178.3	-62	-61.5	-42.9	0	0	111.4	I69 E369 D370 L375 E376	I69-Q373 PolarHBondContact O-NE2 3Å; E369-Q373 WeakPolarHBondContact O-CG 3.34Å; E369-Q373 PolarHBondContact O-N 3.22Å; D370-Q373 PolarHBondContact O-N 3.46Å; Q373-L375 VanDerWaalsContact C-N 3.3Å; Q373-L375 PolarHBondContact O-N 3.42Å; Q373-E376 PolarHBondContact O-N 3.28Å
374	R	97.7	Very high	97.2	Very high	56 Å²	56	35.4 Å²	35.4	21%	0.211	17%	0.166	C	C	.	.	H	α-helix	trans	-65.4	-31.3	177.1	176.6	162.5	61.1	93.4	-22.6	113.1	A325 N327 E328 E366 D370 L371 V372 P377	A325-R374 HydrophobicContact CB-CG 4.09Å; A325-R374 PolarHBondContact O-NH1 3.39Å; N327-R374 PolarHBondContact O-NH1 2.85Å; N327-R374 PolarHBondContact O-NH2 3.38Å; E328-R374 PolarHBondContact O-NH2 3.01Å; E366-R374 IonicContact OE1-CZ 3.24Å; E366-R374 IonicContact OE1-NE 2.8Å; E366-R374 PolarHBondContact OE1-NE 3.31Å; E366-R374 IonicContact OE1-NH2 3.96Å; E366-R374 PolarHBondContact OE1-NH2 3.21Å; E366-R374 IonicContact OE2-CZ 3.22Å; E366-R374 IonicContact OE2-NE 3.21Å; E366-R374 IonicContact OE2-NH2 3.47Å; E366-R374 PolarHBondContact OE2-NH2 2.9Å; D370-R374 PolarHBondContact O-N 3.11Å; L371-R374 PolarHBondContact O-N 3.48Å; V372-R374 VanDerWaalsContact C-N 3.34Å; V372-R374 PolarHBondContact O-N 3.32Å; R374-P377 WeakPolarHBondContact O-CD 3.19Å
375	L	98.6	Very high	97	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-87.9	-7.9	-178.8	-72.6	172.3	0	0	0	113.9	W68 A325 L326 L371 V372 Q373 V378 I379 V396 C399 L400	W68-L375 HydrophobicContact CH2-CB 3.82Å; W68-L375 HydrophobicContact CZ2-CB 4.23Å; A325-L375 WeakPolarHBondContact O-CD2 3.15Å; L326-L375 HydrophobicContact CD2-CD2 3.95Å; L371-L375 HydrophobicContact CD1-CD1 4.14Å; L371-L375 HydrophobicContact CD1-CG 4.3Å; L371-L375 HydrophobicContact CG-CD1 3.81Å; L371-L375 HydrophobicContact CG-CG 4.39Å; L371-L375 VanDerWaalsContact O-CB 3.29Å; L371-L375 WeakPolarHBondContact O-CB 3.1Å; L371-L375 VanDerWaalsContact O-CG 3.23Å; L371-L375 WeakPolarHBondContact O-CG 3.44Å; L371-L375 PolarHBondContact O-N 3.15Å; V372-L375 PolarHBondContact O-N 3.03Å; Q373-L375 VanDerWaalsContact C-N 3.3Å; Q373-L375 PolarHBondContact O-N 3.42Å; L375-V378 HydrophobicContact CD2-CB 4.31Å; L375-V378 HydrophobicContact CD2-CG2 4.04Å; L375-V378 WeakPolarHBondContact O-CA 3.43Å; L375-V378 WeakPolarHBondContact O-CB 3.12Å; L375-V378 PolarHBondContact O-N 2.87Å; L375-I379 PolarHBondContact O-N 2.93Å; L375-V396 HydrophobicContact CD1-CG1 4.11Å; L375-V396 HydrophobicContact CD2-CG1 3.98Å; L375-C399 HydrophobicContact CD1-CB 3.41Å; L375-C399 VanDerWaalsContact CD1-CB 3.41Å; L375-L400 HydrophobicContact CD1-CD2 4.37Å; L375-L400 HydrophobicContact CD2-CD2 4.35Å
376	E	96.9	Very high	96.8	Very high	23 Å²	23	31.4 Å²	31.4	11%	0.107	15%	0.147	C	C	.	.	H	α-helix	trans	-50.9	-48.7	177.6	179.2	-179.1	-161.8	0	0	112.4	Y65 W68 I69 R239 V372 Q373 V378 I379 M380	Y65-E376 HydrophobicContact CE2-CG 4.31Å; Y65-E376 PolarHBondContact OH-OE1 3.02Å; W68-E376 HydrophobicContact CZ3-CB 4.28Å; I69-E376 HydrophobicContact CG2-CG 4.25Å; R239-E376 IonicContact NH1-OE1 2.73Å; R239-E376 PolarHBondContact NH1-OE1 3.39Å; R239-E376 IonicContact NH1-OE2 3.57Å; R239-E376 PolarHBondContact NH1-OE2 2.9Å; V372-E376 PolarHBondContact O-N 3.37Å; V372-E376 VanDerWaalsContact O-N 3.13Å; Q373-E376 PolarHBondContact O-N 3.28Å; E376-V378 VanDerWaalsContact C-N 3.27Å; E376-V378 PolarHBondContact O-N 2.82Å; E376-I379 PolarHBondContact O-N 3.06Å; E376-I379 VanDerWaalsContact O-N 3.17Å; E376-M380 VanDerWaalsContact O-CG 3.31Å; E376-M380 WeakPolarHBondContact O-CG 3.42Å; E376-M380 PolarHBondContact O-N 3.46Å
377	P	97.1	Very high	96.6	Very high	72 Å²	72	31.1 Å²	31.1	47%	0.468	15%	0.146	S	C	.	.	H	α-helix	trans	-61.8	-31.9	177.2	-23	35.1	0	0	0	113.9	R374 M380 E381	R374-P377 WeakPolarHBondContact O-CD 3.19Å; P377-M380 PolarHBondContact O-N 3.13Å; P377-E381 PolarHBondContact O-N 3.33Å; P377-E381 VanDerWaalsContact O-N 3.08Å
378	V	98.3	Very high	96.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-68.6	-43.3	176.7	-179.8	0	0	0	0	110.2	W302 W323 A325 L326 L375 E376 M380 E381 L382 L400	W302-V378 HydrophobicContact CE3-CG1 4.34Å; W302-V378 HydrophobicContact CZ3-CG1 4.08Å; W323-V378 HydrophobicContact CE3-CG2 4.1Å; A325-V378 HydrophobicContact CB-CG2 3.84Å; L326-V378 HydrophobicContact CD2-CG1 4.03Å; L326-V378 HydrophobicContact CD2-CG2 4.38Å; L326-V378 HydrophobicContact CG-CG1 4.47Å; L326-V378 HydrophobicContact CG-CG2 4.29Å; L375-V378 HydrophobicContact CD2-CB 4.31Å; L375-V378 HydrophobicContact CD2-CG2 4.04Å; L375-V378 WeakPolarHBondContact O-CA 3.43Å; L375-V378 WeakPolarHBondContact O-CB 3.12Å; L375-V378 PolarHBondContact O-N 2.87Å; E376-V378 VanDerWaalsContact C-N 3.27Å; E376-V378 PolarHBondContact O-N 2.82Å; V378-M380 VanDerWaalsContact C-N 3.33Å; V378-M380 PolarHBondContact O-N 3.1Å; V378-E381 PolarHBondContact O-N 3.27Å; V378-L382 HydrophobicContact CG1-CD1 4.31Å; V378-L382 HydrophobicContact CG1-CG 4.45Å; V378-L382 WeakPolarHBondContact O-CG 3.37Å; V378-L382 PolarHBondContact O-N 3.21Å; V378-L400 HydrophobicContact CG1-CD2 4.2Å
379	I	97.5	Very high	96.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.3	-42.8	175.5	-67.7	-59	0	0	0	111.1	W68 L375 E376 E381 L382 E383 L400 Y403 F404	W68-I379 HydrophobicContact CE3-CG1 4.43Å; W68-I379 HydrophobicContact CH2-CG1 3.55Å; W68-I379 HydrophobicContact CZ2-CG1 3.96Å; W68-I379 HydrophobicContact CZ3-CB 4.43Å; W68-I379 HydrophobicContact CZ3-CG1 3.82Å; L375-I379 PolarHBondContact O-N 2.93Å; E376-I379 PolarHBondContact O-N 3.06Å; E376-I379 VanDerWaalsContact O-N 3.17Å; I379-E381 VanDerWaalsContact C-N 3.33Å; I379-E381 PolarHBondContact O-N 2.93Å; I379-L382 HydrophobicContact CD1-CD1 4.35Å; I379-L382 PolarHBondContact O-N 3.03Å; I379-E383 WeakPolarHBondContact O-CB 3.39Å; I379-E383 PolarHBondContact O-N 3.23Å; I379-L400 HydrophobicContact CD1-CD2 3.56Å; I379-L400 HydrophobicContact CG1-CD2 4.29Å; I379-Y403 HydrophobicContact CD1-CD1 3.65Å; I379-Y403 HydrophobicContact CD1-CE1 4.36Å; I379-Y403 HydrophobicContact CD1-CG 3.76Å; I379-Y403 HydrophobicContact CG1-CD1 4.45Å; I379-Y403 HydrophobicContact CG1-CG 4.26Å; I379-Y403 HydrophobicContact CG2-CD1 3.87Å; I379-Y403 HydrophobicContact CG2-CD2 3.87Å; I379-Y403 HydrophobicContact CG2-CE1 3.59Å; I379-Y403 HydrophobicContact CG2-CE2 3.58Å; I379-Y403 HydrophobicContact CG2-CG 3.99Å; I379-Y403 VanDerWaalsContact CG2-CZ 3.43Å; I379-F404 HydrophobicContact CD1-CE2 4.45Å
380	M	96.2	Very high	96.6	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.02	13%	0.132	C	C	.	.	H	α-helix	trans	-60.3	-44.1	177.3	-62.2	-63.9	95.1	0	0	111.7	Y65 Y242 Y243 E376 P377 V378 E383 R384	Y65-M380 HydrophobicContact CD2-CE 3.6Å; Y65-M380 HydrophobicContact CE2-CE 3.3Å; Y65-M380 HydrophobicContact CE2-SD 4.19Å; Y65-M380 HydrophobicContact CG-CE 4.44Å; Y242-M380 HydrophobicContact CD1-SD 4.11Å; Y242-M380 HydrophobicContact CE1-CB 4.32Å; Y242-M380 HydrophobicContact CE1-CG 3.72Å; Y242-M380 HydrophobicContact CE1-SD 3.79Å; Y243-M380 HydrophobicContact CD2-CE 3.47Å; Y243-M380 VanDerWaalsContact CD2-CE 3.47Å; Y243-M380 HydrophobicContact CD2-SD 3.89Å; Y243-M380 HydrophobicContact CE2-CE 3.84Å; E376-M380 VanDerWaalsContact O-CG 3.31Å; E376-M380 WeakPolarHBondContact O-CG 3.42Å; E376-M380 PolarHBondContact O-N 3.46Å; P377-M380 PolarHBondContact O-N 3.13Å; V378-M380 VanDerWaalsContact C-N 3.33Å; V378-M380 PolarHBondContact O-N 3.1Å; M380-E383 PolarHBondContact O-N 3.39Å; M380-R384 PolarHBondContact O-N 2.84Å
381	E	96.9	Very high	96.7	Very high	34 Å²	34	26.2 Å²	26.2	16%	0.159	12%	0.122	C	C	.	.	H	α-helix	trans	-69.9	-38.7	178.2	-169.2	62.4	-163.4	0	0	111.6	W302 W323 P377 V378 I379 E383 R384 Q385	W302-E381 HydrophobicContact CH2-CB 3.75Å; W302-E381 HydrophobicContact CH2-CG 3.4Å; W302-E381 VanDerWaalsContact CH2-CG 3.4Å; W302-E381 HydrophobicContact CZ2-CB 4.4Å; W302-E381 HydrophobicContact CZ2-CG 3.56Å; W302-E381 HydrophobicContact CZ3-CB 4.44Å; W302-E381 HydrophobicContact CZ3-CG 4.42Å; W323-E381 HydrophobicContact CH2-CB 4.04Å; W323-E381 HydrophobicContact CH2-CG 3.86Å; W323-E381 HydrophobicContact CZ2-CG 4.1Å; P377-E381 PolarHBondContact O-N 3.33Å; P377-E381 VanDerWaalsContact O-N 3.08Å; V378-E381 PolarHBondContact O-N 3.27Å; I379-E381 VanDerWaalsContact C-N 3.33Å; I379-E381 PolarHBondContact O-N 2.93Å; E381-E383 PolarHBondContact O-N 2.72Å; E381-R384 WeakPolarHBondContact O-CB 3.34Å; E381-R384 PolarHBondContact O-N 2.96Å; E381-R384 IonicContact OE1-CZ 3.61Å; E381-R384 VanDerWaalsContact OE1-CZ 3.32Å; E381-R384 IonicContact OE1-NE 2.89Å; E381-R384 PolarHBondContact OE1-NE 2.99Å; E381-R384 IonicContact OE1-NH2 3.46Å; E381-R384 PolarHBondContact OE1-NH2 3.12Å; E381-R384 IonicContact OE2-CZ 3.96Å; E381-R384 IonicContact OE2-NE 2.65Å; E381-R384 PolarHBondContact OE2-NE 2.82Å; E381-R384 IonicContact OE2-NH2 3.32Å; E381-R384 PolarHBondContact OE2-NH2 3.09Å; E381-Q385 HydrophobicContact CG-CG 4.34Å; E381-Q385 VanDerWaalsContact O-CG 3.31Å; E381-Q385 WeakPolarHBondContact O-CG 3.39Å; E381-Q385 PolarHBondContact O-N 3.28Å; E381-Q385 PolarHBondContact OE1-NE2 2.88Å
382	L	96.1	Very high	96.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.3	-36.3	172.6	-75.3	175.9	0	0	0	112.1	I254 W302 V378 I379 R384 V388 V390 L400 F404	I254-L382 HydrophobicContact CG2-CD2 4.24Å; W302-L382 HydrophobicContact CE3-CD2 4.06Å; W302-L382 HydrophobicContact CH2-CD2 3.82Å; W302-L382 HydrophobicContact CH2-CG 4.13Å; W302-L382 HydrophobicContact CZ3-CD2 3.37Å; W302-L382 HydrophobicContact CZ3-CG 3.6Å; V378-L382 HydrophobicContact CG1-CD1 4.31Å; V378-L382 HydrophobicContact CG1-CG 4.45Å; V378-L382 WeakPolarHBondContact O-CG 3.37Å; V378-L382 PolarHBondContact O-N 3.21Å; I379-L382 HydrophobicContact CD1-CD1 4.35Å; I379-L382 PolarHBondContact O-N 3.03Å; L382-R384 PolarHBondContact O-N 3.46Å; L382-V388 HydrophobicContact CD2-CB 4.06Å; L382-V388 HydrophobicContact CD2-CG1 3.92Å; L382-V388 HydrophobicContact CD2-CG2 4.31Å; L382-V390 HydrophobicContact CD2-CG2 3.95Å; L382-L400 HydrophobicContact CD1-CD2 4.32Å; L382-F404 HydrophobicContact CB-CZ 4.13Å; L382-F404 HydrophobicContact CD1-CE2 3.82Å; L382-F404 HydrophobicContact CD1-CZ 3.9Å
383	E	94.1	Very high	96.7	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-70.1	-21.6	176.9	-80.3	-67.8	171.8	0	0	113.2	K61 R64 Y243 N246 I247 R252 I379 M380 E381 Y403	K61-E383 IonicContact NZ-OE1 2.66Å; K61-E383 PolarHBondContact NZ-OE1 3.42Å; K61-E383 IonicContact NZ-OE2 3.4Å; K61-E383 PolarHBondContact NZ-OE2 2.94Å; R64-E383 IonicContact NH2-OE1 3.83Å; Y243-E383 HydrophobicContact CE2-CG 4.21Å; N246-E383 CarbonylContact O-C 3.58Å; N246-E383 VanDerWaalsContact O-C 3.26Å; I247-E383 HydrophobicContact CG2-CB 4.16Å; I247-E383 HydrophobicContact CG2-CG 4.26Å; R252-E383 IonicContact CZ-OE2 3.27Å; R252-E383 PolarHBondContact NH1-O 3.01Å; R252-E383 PolarHBondContact NH2-O 3.02Å; R252-E383 IonicContact NH2-OE2 2.74Å; R252-E383 PolarHBondContact NH2-OE2 3.27Å; I379-E383 WeakPolarHBondContact O-CB 3.39Å; I379-E383 PolarHBondContact O-N 3.23Å; M380-E383 PolarHBondContact O-N 3.39Å; E381-E383 PolarHBondContact O-N 2.72Å; E383-Y403 HydrophobicContact CG-CE1 4.29Å; E383-Y403 WeakPolarHBondContact CG-OH 3.42Å; E383-Y403 PolarHBondContact OE1-OH 3.33Å
384	R	93.3	Very high	96.9	Very high	122 Å²	122	23 Å²	23	46%	0.46	11%	0.107	S	C	.	.	H	α-helix	trans	-90.5	-27.6	178.1	-165.1	-179.6	75.5	89.5	-6.9	114	N246 M380 E381 L382	N246-R384 WeakPolarHBondContact O-CA 3.36Å; N246-R384 PolarHBondContact O-N 3.14Å; M380-R384 PolarHBondContact O-N 2.84Å; E381-R384 WeakPolarHBondContact O-CB 3.34Å; E381-R384 PolarHBondContact O-N 2.96Å; E381-R384 IonicContact OE1-CZ 3.61Å; E381-R384 VanDerWaalsContact OE1-CZ 3.32Å; E381-R384 IonicContact OE1-NE 2.89Å; E381-R384 PolarHBondContact OE1-NE 2.99Å; E381-R384 IonicContact OE1-NH2 3.46Å; E381-R384 PolarHBondContact OE1-NH2 3.12Å; E381-R384 IonicContact OE2-CZ 3.96Å; E381-R384 IonicContact OE2-NE 2.65Å; E381-R384 PolarHBondContact OE2-NE 2.82Å; E381-R384 IonicContact OE2-NH2 3.32Å; E381-R384 PolarHBondContact OE2-NH2 3.09Å; L382-R384 PolarHBondContact O-N 3.46Å
385	Q	93.6	Very high	97	Very high	21 Å²	21	20.4 Å²	20.4	10%	0.098	10%	0.098	C	C	.	.			trans	-84.6	160.5	-177	-68	-52.4	-39.9	0	0	112.9	H248 R252 K300 W302 E381 V388	H248-Q385 PolarHBondContact NE2-O 3.45Å; H248-Q385 VanDerWaalsContact NE2-O 3.15Å; R252-Q385 WeakPolarHBondContact CD-O 3.42Å; R252-Q385 PolarHBondContact NE-O 3.25Å; R252-Q385 PolarHBondContact NH1-O 3.32Å; K300-Q385 HydrophobicContact CD-CG 4.24Å; K300-Q385 VanDerWaalsContact CD-OE1 3.31Å; W302-Q385 HydrophobicContact CH2-CG 4.12Å; W302-Q385 HydrophobicContact CZ2-CG 3.81Å; E381-Q385 HydrophobicContact CG-CG 4.34Å; E381-Q385 VanDerWaalsContact O-CG 3.31Å; E381-Q385 WeakPolarHBondContact O-CG 3.39Å; E381-Q385 PolarHBondContact O-N 3.28Å; E381-Q385 PolarHBondContact OE1-NE2 2.88Å; Q385-V388 HydrophobicContact CB-CG2 3.35Å; Q385-V388 HydrophobicContact CG-CG2 3.93Å
386	E	92.4	Very high	97	Very high	101 Å²	101	20.4 Å²	20.4	47%	0.472	10%	0.098	S	C	.	.	S	Bend	trans	-86.7	-101.3	167.7	-65.2	-179.9	-177.1	0	0	110.6	R252	R252-E386 HydrophobicContact CB-CB 4.34Å; R252-E386 WeakPolarHBondContact CB-O 3.22Å; R252-E386 WeakPolarHBondContact CD-O 3.48Å
387	N	95.6	Very high	97.1	Very high	29 Å²	29	19.4 Å²	19.4	16%	0.155	9%	0.093	C	C	.	.	S	Bend	trans	-87.8	118.5	-175.9	-58.6	-57.4	0	0	0	111.1	S253 I296 L299 K300	S253-N387 PolarHBondContact N-OD1 2.86Å; S253-N387 WeakPolarHBondContact O-CA 3.04Å; I296-N387 HydrophobicContact CG2-CB 3.58Å; L299-N387 HydrophobicContact CD1-CB 4.21Å; K300-N387 PolarHBondContact N-O 3.3Å
388	V	98	Very high	97.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135	-178.9	-172.5	0	0	0	0	110.4	S253 I254 Y255 K300 W302 L382 Q385 V390	S253-V388 PolarHBondContact O-N 3Å; I254-V388 CarbonylContact C-O 3.58Å; I254-V388 WeakPolarHBondContact CA-O 3.41Å; Y255-V388 PolarHBondContact N-O 2.98Å; K300-V388 HydrophobicContact CB-CG2 4.41Å; K300-V388 CarbonylContact O-C 3.5Å; K300-V388 WeakPolarHBondContact O-CA 3.45Å; W302-V388 HydrophobicContact CD2-CG1 3.75Å; W302-V388 HydrophobicContact CE3-CG1 3.94Å; W302-V388 HydrophobicContact CG-CG1 4.23Å; W302-V388 HydrophobicContact CH2-CG1 4.28Å; W302-V388 HydrophobicContact CZ2-CG1 4.17Å; W302-V388 HydrophobicContact CZ2-CG2 4.44Å; W302-V388 HydrophobicContact CZ3-CG1 4.24Å; L382-V388 HydrophobicContact CD2-CB 4.06Å; L382-V388 HydrophobicContact CD2-CG1 3.92Å; L382-V388 HydrophobicContact CD2-CG2 4.31Å; Q385-V388 HydrophobicContact CB-CG2 3.35Å; Q385-V388 HydrophobicContact CG-CG2 3.93Å; V388-V390 HydrophobicContact CG1-CG2 3.91Å
389	L	98.8	Very high	97.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.3	163.7	170	65.8	0	0	0	109.1	Y255 I291 L299 K300 V301 W302 L316 I391	Y255-L389 CarbonylContact O-C 3.6Å; Y255-L389 WeakPolarHBondContact O-CA 3.12Å; I291-L389 HydrophobicContact CD1-CD1 4.39Å; I291-L389 HydrophobicContact CD1-CD2 3.99Å; I291-L389 HydrophobicContact CG1-CD2 3.99Å; L299-L389 HydrophobicContact CD1-CB 4.12Å; L299-L389 HydrophobicContact CD2-CB 4.18Å; L299-L389 HydrophobicContact CG-CB 4.4Å; K300-L389 PolarHBondContact O-N 3.2Å; V301-L389 CarbonylContact C-O 3.58Å; V301-L389 WeakPolarHBondContact CA-O 3.39Å; V301-L389 HydrophobicContact CG1-CD2 4.27Å; V301-L389 HydrophobicContact CG2-CB 4.42Å; V301-L389 HydrophobicContact CG2-CD2 4.36Å; W302-L389 PolarHBondContact N-O 2.81Å; L316-L389 HydrophobicContact CD2-CD2 3.54Å; L389-I391 HydrophobicContact CD1-CG1 4.35Å; L389-I391 HydrophobicContact CD2-CD1 4.15Å; L389-I391 HydrophobicContact CD2-CG1 4.18Å; L389-I391 HydrophobicContact CG-CG1 4.01Å
390	V	98.9	Very high	97.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117.3	174.4	-175.8	0	0	0	0	109.3	Y255 L256 C257 W302 L326 L382 V388 C392 L400	Y255-V390 PolarHBondContact O-N 3.32Å; L256-V390 HydrophobicContact CD2-CB 3.68Å; L256-V390 HydrophobicContact CD2-CG1 4.46Å; L256-V390 HydrophobicContact CD2-CG2 3.9Å; C257-V390 PolarHBondContact N-O 2.95Å; C257-V390 VanDerWaalsContact O-O 3.14Å; W302-V390 HydrophobicContact CE3-CG2 3.96Å; L326-V390 HydrophobicContact CD1-CG1 3.93Å; L326-V390 HydrophobicContact CD2-CG1 3.98Å; L382-V390 HydrophobicContact CD2-CG2 3.95Å; V388-V390 HydrophobicContact CG1-CG2 3.91Å; V390-C392 HydrophobicContact CG1-CB 4.12Å; V390-L400 HydrophobicContact CG1-CD1 4.14Å
391	I	98.9	Very high	97.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	102.4	175	-50.9	178.8	0	0	0	108.1	C257 L287 V301 W302 T309 T312 A313 L389	C257-I391 WeakPolarHBondContact O-CA 3.37Å; L287-I391 HydrophobicContact CD2-CD1 4.02Å; V301-I391 HydrophobicContact CG1-CD1 4.22Å; W302-I391 PolarHBondContact O-N 3.36Å; T309-I391 WeakPolarHBondContact CB-O 3.44Å; T309-I391 HydrophobicContact CG2-CG2 4.38Å; T309-I391 WeakPolarHBondContact CG2-O 3.48Å; T312-I391 HydrophobicContact CG2-CD1 4.16Å; T312-I391 HydrophobicContact CG2-CG2 3.98Å; A313-I391 HydrophobicContact CB-CD1 3.97Å; L389-I391 HydrophobicContact CD1-CG1 4.35Å; L389-I391 HydrophobicContact CD2-CD1 4.15Å; L389-I391 HydrophobicContact CD2-CG1 4.18Å; L389-I391 HydrophobicContact CG-CG1 4.01Å
392	C	98.9	Very high	97.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	-144.3	-172.8	63.4	0	0	0	0	112.4	C257 R258 H259 L326 V390 V396	C257-C392 PolarHBondContact O-N 3.27Å; R258-C392 CarbonylContact C-O 3.57Å; R258-C392 VanDerWaalsContact CA-O 3.3Å; R258-C392 WeakPolarHBondContact CA-O 3.36Å; H259-C392 PolarHBondContact CD2-O 3.48Å; H259-C392 VanDerWaalsContact CD2-O 3.28Å; H259-C392 PolarHBondContact N-O 3.3Å; L326-C392 HydrophobicContact CD2-CB 4.3Å; V390-C392 HydrophobicContact CG1-CB 4.12Å; C392-V396 HydrophobicContact CB-CB 4.23Å; C392-V396 HydrophobicContact CB-CG1 3.74Å
393	H	98.9	Very high	97.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.066	C	C	.	.			trans	-132.5	178.2	-170.7	-49.3	-89.1	0	0	0	111.5	H259 S304 M306 R308 L326 E328 M397	H259-H393 AromaticContact CD2-CE1 3.94Å; H259-H393 AromaticContact CD2-ND1 3.18Å; H259-H393 PolarHBondContact CD2-ND1 3.24Å; H259-H393 AromaticContact NE2-ND1 3.5Å; S304-H393 WeakPolarHBondContact CB-NE2 3.41Å; S304-H393 PolarHBondContact OG-NE2 3.25Å; M306-H393 PolarHBondContact SD-CE1 3.1Å; M306-H393 PolarHBondContact SD-NE2 3.06Å; R308-H393 PolarHBondContact NE-CE1 2.63Å; R308-H393 PolarHBondContact NE-ND1 3.2Å; R308-H393 VanDerWaalsContact NE-ND1 3.1Å; R308-H393 PolarHBondContact NH2-CE1 2.72Å; R308-H393 PolarHBondContact NH2-ND1 3.27Å; R308-H393 VanDerWaalsContact NH2-ND1 3.11Å; L326-H393 PolarHBondContact O-CD2 2.9Å; E328-H393 HydrophobicContact CB-CB 3.77Å; E328-H393 HydrophobicContact CG-CB 3.92Å; E328-H393 PolarHBondContact N-CD2 3.38Å; E328-H393 PolarHBondContact N-NE2 3.4Å; E328-H393 WeakPolarHBondContact OE1-CB 3.41Å; E328-H393 WeakPolarHBondContact OE2-CB 3.1Å; H393-M397 WeakPolarHBondContact O-CB 3.28Å; H393-M397 PolarHBondContact O-N 2.98Å
394	Q	98.8	Very high	97.6	Very high	19 Å²	19	14.8 Å²	14.8	9%	0.089	7%	0.066	C	C	.	.	H	α-helix	trans	-67.3	-50.5	-169.8	-175.2	168.7	-92.1	0	0	112.4	E328 R398 T446	E328-Q394 PolarHBondContact OE2-N 2.87Å; Q394-R398 VanDerWaalsContact O-CG 3.23Å; Q394-R398 WeakPolarHBondContact O-CG 3.34Å; Q394-R398 PolarHBondContact O-N 3.36Å; Q394-T446 PolarHBondContact NE2-O 3.22Å; Q394-T446 PolarHBondContact OE1-O 3.36Å; Q394-T446 PolarHBondContact OE1-OG1 3.1Å
395	A	98.8	Very high	97.7	Very high	3 Å²	3	11.4 Å²	11.4	3%	0.025	6%	0.056	C	C	.	.	H	α-helix	trans	-70.5	-40.3	-178.4	0	0	0	0	0	111.2	E328 I329 Y368 L371 R398 C399	E328-A395 WeakPolarHBondContact OE1-CB 3.4Å; E328-A395 PolarHBondContact OE1-N 2.74Å; E328-A395 VanDerWaalsContact OE1-N 3.11Å; E328-A395 PolarHBondContact OE2-N 3.46Å; I329-A395 HydrophobicContact CB-CB 3.88Å; I329-A395 HydrophobicContact CG2-CB 3.6Å; Y368-A395 HydrophobicContact CD1-CB 4.46Å; Y368-A395 HydrophobicContact CE1-CB 3.61Å; Y368-A395 WeakPolarHBondContact OH-CB 3.46Å; L371-A395 HydrophobicContact CD2-CB 3.79Å; A395-R398 WeakPolarHBondContact O-CB 3.5Å; A395-R398 PolarHBondContact O-N 3.1Å; A395-C399 PolarHBondContact O-N 2.72Å; A395-C399 VanDerWaalsContact O-N 3.1Å
396	V	98.9	Very high	97.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.9	-50	175.8	175.8	0	0	0	0	111.6	L326 N327 E328 L371 L375 C392 R398 C399 L400	L326-V396 HydrophobicContact CD2-CG1 3.67Å; N327-V396 WeakPolarHBondContact O-CG2 3.41Å; E328-V396 PolarHBondContact OE1-N 3.43Å; L371-V396 HydrophobicContact CD1-CG2 4.13Å; L371-V396 HydrophobicContact CD2-CG2 4.24Å; L375-V396 HydrophobicContact CD1-CG1 4.11Å; L375-V396 HydrophobicContact CD2-CG1 3.98Å; C392-V396 HydrophobicContact CB-CB 4.23Å; C392-V396 HydrophobicContact CB-CG1 3.74Å; V396-R398 VanDerWaalsContact C-N 3.28Å; V396-R398 PolarHBondContact O-N 3.28Å; V396-C399 WeakPolarHBondContact O-CB 3.42Å; V396-C399 PolarHBondContact O-N 3.23Å; V396-C399 VanDerWaalsContact O-N 3.17Å; V396-L400 HydrophobicContact CG1-CD1 4.22Å; V396-L400 HydrophobicContact CG1-CG 4.5Å; V396-L400 WeakPolarHBondContact O-CG 3.39Å; V396-L400 PolarHBondContact O-N 3.06Å
397	M	98.8	Very high	98	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-62.9	-36.2	-179.2	-171.2	171.6	170.8	0	0	111.6	L256 R258 H393 L400 L401 C417 L423	L256-M397 HydrophobicContact CB-CE 3.88Å; L256-M397 HydrophobicContact CB-CG 4.38Å; L256-M397 WeakPolarHBondContact O-CE 3.48Å; R258-M397 HydrophobicContact CG-SD 3.83Å; H393-M397 WeakPolarHBondContact O-CB 3.28Å; H393-M397 PolarHBondContact O-N 2.98Å; M397-L400 PolarHBondContact O-N 3.15Å; M397-L401 WeakPolarHBondContact O-CB 3.36Å; M397-L401 PolarHBondContact O-N 2.83Å; M397-C417 HydrophobicContact CB-CB 4.33Å; M397-C417 HydrophobicContact CE-CB 4.33Å; M397-C417 HydrophobicContact CG-CB 4.11Å; M397-C417 HydrophobicContact SD-CB 3.84Å; M397-L423 HydrophobicContact CE-CB 4.09Å; M397-L423 HydrophobicContact CE-CD1 3.42Å; M397-L423 VanDerWaalsContact CE-CD1 3.42Å; M397-L423 HydrophobicContact CE-CG 3.49Å; M397-L423 VanDerWaalsContact CE-CG 3.49Å
398	R	98.8	Very high	98.1	Very high	4 Å²	4	14.6 Å²	14.6	2%	0.015	8%	0.077	C	C	.	.	H	α-helix	trans	-60.7	-46.7	172.9	-73.9	172	166.2	157.1	-4.3	112.1	Y368 Q394 A395 V396 L401 A402 L412 P413 L415 H447	Y368-R398 HydrophobicContact CE1-CB 4.28Å; Y368-R398 PolarHBondContact OH-NH1 3.21Å; Y368-R398 VanDerWaalsContact OH-NH1 3.09Å; Q394-R398 VanDerWaalsContact O-CG 3.23Å; Q394-R398 WeakPolarHBondContact O-CG 3.34Å; Q394-R398 PolarHBondContact O-N 3.36Å; A395-R398 WeakPolarHBondContact O-CB 3.5Å; A395-R398 PolarHBondContact O-N 3.1Å; V396-R398 VanDerWaalsContact C-N 3.28Å; V396-R398 PolarHBondContact O-N 3.28Å; R398-L401 PolarHBondContact O-N 3.26Å; R398-A402 WeakPolarHBondContact O-CB 3.33Å; R398-A402 PolarHBondContact O-N 3.09Å; R398-L412 HydrophobicContact CB-CD2 4.49Å; R398-L412 WeakPolarHBondContact CB-O 3.37Å; R398-P413 PolarHBondContact NE-O 2.81Å; R398-P413 PolarHBondContact NH1-O 2.85Å; R398-P413 VanDerWaalsContact NH1-O 3.12Å; R398-L415 HydrophobicContact CB-CB 4.49Å; R398-L415 HydrophobicContact CG-CB 4.07Å; R398-L415 PolarHBondContact NE-O 3Å; R398-H447 PolarHBondContact NH2-CE1 3.45Å; R398-H447 PolarHBondContact NH2-ND1 2.93Å; R398-H447 VanDerWaalsContact NH2-ND1 3.13Å
399	C	98.8	Very high	97.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60	-47	176.9	-72	0	0	0	0	112.3	W68 L375 A395 V396 A402 Y403	W68-C399 HydrophobicContact CZ2-CB 4.41Å; W68-C399 PolarHBondContact NE1-O 3.45Å; L375-C399 HydrophobicContact CD1-CB 3.41Å; L375-C399 VanDerWaalsContact CD1-CB 3.41Å; A395-C399 PolarHBondContact O-N 2.72Å; A395-C399 VanDerWaalsContact O-N 3.1Å; V396-C399 WeakPolarHBondContact O-CB 3.42Å; V396-C399 PolarHBondContact O-N 3.23Å; V396-C399 VanDerWaalsContact O-N 3.17Å; C399-A402 PolarHBondContact O-N 3.25Å; C399-Y403 PolarHBondContact O-N 2.93Å
400	L	98.7	Very high	97.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.9	-44.4	177.9	-63.1	178.1	0	0	0	111.2	L256 L326 L375 V378 I379 L382 V390 V396 M397 A402 Y403 F404	L256-L400 HydrophobicContact CD1-CB 4.05Å; L256-L400 HydrophobicContact CD2-CD1 4.25Å; L326-L400 HydrophobicContact CD2-CD1 4.17Å; L375-L400 HydrophobicContact CD1-CD2 4.37Å; L375-L400 HydrophobicContact CD2-CD2 4.35Å; V378-L400 HydrophobicContact CG1-CD2 4.2Å; I379-L400 HydrophobicContact CD1-CD2 3.56Å; I379-L400 HydrophobicContact CG1-CD2 4.29Å; L382-L400 HydrophobicContact CD1-CD2 4.32Å; V390-L400 HydrophobicContact CG1-CD1 4.14Å; V396-L400 HydrophobicContact CG1-CD1 4.22Å; V396-L400 HydrophobicContact CG1-CG 4.5Å; V396-L400 WeakPolarHBondContact O-CG 3.39Å; V396-L400 PolarHBondContact O-N 3.06Å; M397-L400 PolarHBondContact O-N 3.15Å; L400-A402 PolarHBondContact O-N 3.35Å; L400-Y403 WeakPolarHBondContact O-CB 3.48Å; L400-Y403 PolarHBondContact O-N 3.16Å; L400-F404 WeakPolarHBondContact O-CD2 3.34Å; L400-F404 PolarHBondContact O-N 3.45Å
401	L	98.1	Very high	97.7	Very high	8 Å²	8	25.2 Å²	25.2	4%	0.042	14%	0.135	C	C	.	.	H	α-helix	trans	-65.4	-40	179.6	-168.5	65.7	0	0	0	111.4	M397 R398 Y403 F404 L405 L415 L423 L425	M397-L401 WeakPolarHBondContact O-CB 3.36Å; M397-L401 PolarHBondContact O-N 2.83Å; R398-L401 PolarHBondContact O-N 3.26Å; L401-Y403 VanDerWaalsContact C-N 3.28Å; L401-Y403 PolarHBondContact O-N 3.19Å; L401-F404 PolarHBondContact O-N 3.2Å; L401-L405 HydrophobicContact CD1-CD1 3.69Å; L401-L405 HydrophobicContact CD1-CG 3.9Å; L401-L405 HydrophobicContact CD2-CD1 4.12Å; L401-L405 HydrophobicContact CG-CD1 3.61Å; L401-L405 HydrophobicContact CG-CG 4.02Å; L401-L405 WeakPolarHBondContact O-CB 3.22Å; L401-L405 VanDerWaalsContact O-CG 3.31Å; L401-L405 WeakPolarHBondContact O-CG 3.27Å; L401-L405 PolarHBondContact O-N 3.43Å; L401-L415 HydrophobicContact CB-CD1 4.26Å; L401-L415 HydrophobicContact CD2-CB 4.39Å; L401-L415 HydrophobicContact CD2-CD1 4.37Å; L401-L415 HydrophobicContact CG-CD1 4.39Å; L401-L423 HydrophobicContact CD1-CD1 3.97Å; L401-L423 HydrophobicContact CD2-CD1 3.84Å; L401-L425 HydrophobicContact CD1-CD1 4.45Å; L401-L425 HydrophobicContact CD1-CD2 3.94Å
402	A	98.3	Very high	97.7	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-60.7	-37.4	176.6	0	0	0	0	0	112.5	R398 C399 L400 D406 K407 L412 L415	R398-A402 WeakPolarHBondContact O-CB 3.33Å; R398-A402 PolarHBondContact O-N 3.09Å; C399-A402 PolarHBondContact O-N 3.25Å; L400-A402 PolarHBondContact O-N 3.35Å; A402-D406 WeakPolarHBondContact O-CA 3.43Å; A402-D406 PolarHBondContact O-N 3.13Å; A402-K407 HydrophobicContact CB-CB 3.89Å; A402-K407 PolarHBondContact O-N 2.64Å; A402-L412 HydrophobicContact CB-CB 3.82Å; A402-L412 HydrophobicContact CB-CD1 3.53Å; A402-L412 HydrophobicContact CB-CG 3.49Å; A402-L412 VanDerWaalsContact CB-CG 3.49Å; A402-L415 HydrophobicContact CB-CD1 3.8Å
403	Y	97.8	Very high	97.6	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	14%	0.136	C	C	.	.	H	α-helix	trans	-60.9	-51.6	172.3	171.9	-98.6	0	0	0	111.8	R64 Y65 W68 Y243 I379 E383 C399 L400 L401 L405	R64-Y403 WeakPolarHBondContact CD-O 3.35Å; R64-Y403 WeakPolarHBondContact CG-O 3.19Å; R64-Y403 PolarHBondContact NE-O 3.23Å; Y65-Y403 HydrophobicContact CD2-CE2 4.36Å; W68-Y403 HydrophobicContact CB-CD2 4.04Å; W68-Y403 HydrophobicContact CD2-CD2 4.04Å; W68-Y403 HydrophobicContact CD2-CG 4.49Å; W68-Y403 HydrophobicContact CE3-CD2 4.33Å; W68-Y403 AromaticContact CG-CD2 3.91Å; W68-Y403 HydrophobicContact CG-CD2 3.91Å; W68-Y403 HydrophobicContact CG-CG 4.44Å; Y243-Y403 WeakPolarHBondContact CE2-OH 3.35Å; Y243-Y403 PolarHBondContact OH-OH 3.24Å; I379-Y403 HydrophobicContact CD1-CD1 3.65Å; I379-Y403 HydrophobicContact CD1-CE1 4.36Å; I379-Y403 HydrophobicContact CD1-CG 3.76Å; I379-Y403 HydrophobicContact CG1-CD1 4.45Å; I379-Y403 HydrophobicContact CG1-CG 4.26Å; I379-Y403 HydrophobicContact CG2-CD1 3.87Å; I379-Y403 HydrophobicContact CG2-CD2 3.87Å; I379-Y403 HydrophobicContact CG2-CE1 3.59Å; I379-Y403 HydrophobicContact CG2-CE2 3.58Å; I379-Y403 HydrophobicContact CG2-CG 3.99Å; I379-Y403 VanDerWaalsContact CG2-CZ 3.43Å; E383-Y403 HydrophobicContact CG-CE1 4.29Å; E383-Y403 WeakPolarHBondContact CG-OH 3.42Å; E383-Y403 PolarHBondContact OE1-OH 3.33Å; C399-Y403 PolarHBondContact O-N 2.93Å; L400-Y403 WeakPolarHBondContact O-CB 3.48Å; L400-Y403 PolarHBondContact O-N 3.16Å; L401-Y403 VanDerWaalsContact C-N 3.28Å; L401-Y403 PolarHBondContact O-N 3.19Å; Y403-L405 VanDerWaalsContact C-N 3.33Å; Y403-L405 PolarHBondContact O-N 3.28Å
404	F	96.1	Very high	97.6	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	14%	0.144	C	C	.	.	H	α-helix	trans	-70.5	-29.4	-175.9	-72.1	-68.1	0	0	0	113.5	R64 I254 I379 L382 L400 L401 L425 C432	R64-F404 PolarHBondContact NH1-O 3.2Å; I254-F404 HydrophobicContact CD1-CE1 3.64Å; I254-F404 HydrophobicContact CD1-CE2 4.26Å; I254-F404 HydrophobicContact CD1-CZ 3.46Å; I254-F404 VanDerWaalsContact CD1-CZ 3.46Å; I379-F404 HydrophobicContact CD1-CE2 4.45Å; L382-F404 HydrophobicContact CB-CZ 4.13Å; L382-F404 HydrophobicContact CD1-CE2 3.82Å; L382-F404 HydrophobicContact CD1-CZ 3.9Å; L400-F404 WeakPolarHBondContact O-CD2 3.34Å; L400-F404 PolarHBondContact O-N 3.45Å; L401-F404 PolarHBondContact O-N 3.2Å; F404-L425 HydrophobicContact CB-CD1 4.02Å; F404-L425 HydrophobicContact CD2-CD1 3.54Å; F404-L425 HydrophobicContact CE2-CD1 4.23Å; F404-L425 HydrophobicContact CG-CD1 3.84Å; F404-C432 HydrophobicContact CB-CB 4.27Å; F404-C432 WeakPolarHBondContact O-CB 3.27Å
405	L	95.9	Very high	97.6	Very high	51 Å²	51	27.5 Å²	27.5	27%	0.267	15%	0.145	S	C	.	.	H	α-helix	trans	-98.3	4.8	-177.7	-55.5	-170	0	0	0	114.5	L401 Y403 K407 C432 V434	L401-L405 HydrophobicContact CD1-CD1 3.69Å; L401-L405 HydrophobicContact CD1-CG 3.9Å; L401-L405 HydrophobicContact CD2-CD1 4.12Å; L401-L405 HydrophobicContact CG-CD1 3.61Å; L401-L405 HydrophobicContact CG-CG 4.02Å; L401-L405 WeakPolarHBondContact O-CB 3.22Å; L401-L405 VanDerWaalsContact O-CG 3.31Å; L401-L405 WeakPolarHBondContact O-CG 3.27Å; L401-L405 PolarHBondContact O-N 3.43Å; Y403-L405 VanDerWaalsContact C-N 3.33Å; Y403-L405 PolarHBondContact O-N 3.28Å; L405-K407 VanDerWaalsContact C-N 3.35Å; L405-K407 HydrophobicContact CB-CG 3.85Å; L405-K407 PolarHBondContact O-N 3.38Å; L405-C432 HydrophobicContact CD2-CB 4.14Å; L405-V434 HydrophobicContact CD1-CG2 4.02Å; L405-V434 HydrophobicContact CD2-CG2 3.25Å; L405-V434 HydrophobicContact CG-CG2 4.21Å
406	D	96.1	Very high	97.5	Very high	94 Å²	94	34 Å²	34	50%	0.503	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	50.5	-179.7	-162.7	32.1	0	0	0	112.2	R64 A402	R64-D406 HydrophobicContact CG-CB 4.06Å; R64-D406 WeakPolarHBondContact CG-OD1 3.38Å; A402-D406 WeakPolarHBondContact O-CA 3.43Å; A402-D406 PolarHBondContact O-N 3.13Å
407	K	97.3	Very high	97.5	Very high	74 Å²	74	34.1 Å²	34.1	32%	0.322	17%	0.173	S	C	.	.			trans	-94.2	139.3	-178.3	-63.2	-63.8	-168.8	175.7	0	111.6	A402 L405 E411 L415	A402-K407 HydrophobicContact CB-CB 3.89Å; A402-K407 PolarHBondContact O-N 2.64Å; L405-K407 VanDerWaalsContact C-N 3.35Å; L405-K407 HydrophobicContact CB-CG 3.85Å; L405-K407 PolarHBondContact O-N 3.38Å; K407-E411 HydrophobicContact CB-CB 4.39Å; K407-E411 WeakPolarHBondContact CD-OE1 3.24Å; K407-E411 IonicContact NZ-OE1 3.41Å; K407-E411 PolarHBondContact NZ-OE1 3.12Å; K407-L415 HydrophobicContact CB-CD1 4.24Å; K407-L415 HydrophobicContact CD-CD2 4.41Å; K407-L415 HydrophobicContact CG-CD1 4.14Å; K407-L415 HydrophobicContact CG-CD2 3.99Å
408	S	96.7	Very high	97.4	Very high	49 Å²	49	37 Å²	37	34%	0.343	19%	0.192	S	C	.	.			trans	-65.6	161.7	179.9	62.3	0	0	0	0	112.4	D410 E411 L412	S408-D410 PolarHBondContact O-N 3.27Å; S408-E411 PolarHBondContact N-OE2 2.72Å; S408-E411 PolarHBondContact O-N 2.76Å; S408-E411 WeakPolarHBondContact OG-CG 3.49Å; S408-E411 PolarHBondContact OG-N 2.92Å; S408-E411 PolarHBondContact OG-OE2 3.35Å; S408-L412 WeakPolarHBondContact O-CB 3.36Å; S408-L412 PolarHBondContact O-N 2.84Å
409	S	94.9	Very high	97.4	Very high	38 Å²	38	37.2 Å²	37.2	27%	0.266	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-31.6	171.8	52.3	0	0	0	0	112.6	Y358 P413	Y358-S409 WeakPolarHBondContact CB-O 3.35Å; Y358-S409 WeakPolarHBondContact CD2-O 3.4Å; S409-P413 WeakPolarHBondContact O-CD 3.37Å
410	D	95.1	Very high	97.4	Very high	103 Å²	103	37.3 Å²	37.3	55%	0.551	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-34.2	-175.5	-60.8	-4.9	0	0	0	111.6	S408 Y414	S408-D410 PolarHBondContact O-N 3.27Å; D410-Y414 WeakPolarHBondContact O-CD2 3.38Å
411	E	97.6	Very high	97.4	Very high	83 Å²	83	38 Å²	38	39%	0.388	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-34.8	176	-71.4	169.3	96.5	0	0	112.6	K407 S408 Y414 L415	K407-E411 HydrophobicContact CB-CB 4.39Å; K407-E411 WeakPolarHBondContact CD-OE1 3.24Å; K407-E411 IonicContact NZ-OE1 3.41Å; K407-E411 PolarHBondContact NZ-OE1 3.12Å; S408-E411 PolarHBondContact N-OE2 2.72Å; S408-E411 PolarHBondContact O-N 2.76Å; S408-E411 WeakPolarHBondContact OG-CG 3.49Å; S408-E411 PolarHBondContact OG-N 2.92Å; S408-E411 PolarHBondContact OG-OE2 3.35Å; E411-Y414 CarbonylContact O-C 3.58Å; E411-Y414 PolarHBondContact O-N 2.67Å; E411-L415 PolarHBondContact O-N 3.24Å
412	L	98.1	Very high	97.5	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-51.2	-50.6	-169.7	176.4	169.4	0	0	0	113.5	Y358 Y368 V372 R398 A402 S408 Y414 L415	Y358-L412 HydrophobicContact CE2-CD1 4.2Å; Y368-L412 HydrophobicContact CD1-CD2 3.27Å; Y368-L412 HydrophobicContact CE1-CD2 3.78Å; Y368-L412 HydrophobicContact CG-CD2 4.01Å; V372-L412 HydrophobicContact CG2-CD1 4.15Å; R398-L412 HydrophobicContact CB-CD2 4.49Å; R398-L412 WeakPolarHBondContact CB-O 3.37Å; A402-L412 HydrophobicContact CB-CB 3.82Å; A402-L412 HydrophobicContact CB-CD1 3.53Å; A402-L412 HydrophobicContact CB-CG 3.49Å; A402-L412 VanDerWaalsContact CB-CG 3.49Å; S408-L412 WeakPolarHBondContact O-CB 3.36Å; S408-L412 PolarHBondContact O-N 2.84Å; L412-Y414 PolarHBondContact O-N 3.4Å; L412-L415 PolarHBondContact O-N 3.07Å
413	P	98.5	Very high	97.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-64.9	-9.7	-178.8	-23.4	35.1	0	0	0	114.9	K357 Y358 Y368 R398 S409	K357-P413 HydrophobicContact CB-CB 4.03Å; K357-P413 HydrophobicContact CB-CG 4.33Å; K357-P413 HydrophobicContact CD-CB 3.79Å; K357-P413 HydrophobicContact CG-CB 3.77Å; K357-P413 HydrophobicContact CG-CG 4.49Å; Y358-P413 HydrophobicContact CD2-CG 4.37Å; Y368-P413 HydrophobicContact CD2-CB 4.01Å; Y368-P413 HydrophobicContact CD2-CG 4.05Å; Y368-P413 HydrophobicContact CE1-CB 4.47Å; Y368-P413 HydrophobicContact CE2-CB 3.78Å; Y368-P413 HydrophobicContact CE2-CG 4.33Å; Y368-P413 HydrophobicContact CG-CB 4.46Å; Y368-P413 HydrophobicContact CG-CG 4.18Å; R398-P413 PolarHBondContact NE-O 2.81Å; R398-P413 PolarHBondContact NH1-O 2.85Å; R398-P413 VanDerWaalsContact NH1-O 3.12Å; S409-P413 WeakPolarHBondContact O-CD 3.37Å
414	Y	98.2	Very high	97.5	Very high	40 Å²	40	40.1 Å²	40.1	16%	0.157	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-116.2	5.4	-175.4	-57.2	-78.1	0	0	0	113.1	K357 D410 E411 L412 K416 H447 K450	K357-Y414 HydrophobicContact CB-CE2 4.28Å; K357-Y414 WeakPolarHBondContact CB-OH 3.37Å; K357-Y414 HydrophobicContact CD-CD1 4.33Å; K357-Y414 HydrophobicContact CD-CE1 3.54Å; K357-Y414 HydrophobicContact CD-CE2 4.15Å; K357-Y414 VanDerWaalsContact CD-CZ 3.44Å; K357-Y414 WeakPolarHBondContact CD-OH 3.39Å; D410-Y414 WeakPolarHBondContact O-CD2 3.38Å; E411-Y414 CarbonylContact O-C 3.58Å; E411-Y414 PolarHBondContact O-N 2.67Å; L412-Y414 PolarHBondContact O-N 3.4Å; Y414-K416 PolarHBondContact O-N 3.47Å; Y414-H447 PolarHBondContact O-CE1 3.16Å; Y414-H447 VanDerWaalsContact O-CE1 3.28Å; Y414-K450 HydrophobicContact CD1-CB 3.85Å; Y414-K450 HydrophobicContact CE1-CB 3.51Å; Y414-K450 HydrophobicContact CE1-CG 3.94Å; Y414-K450 HydrophobicContact CE2-CB 4.39Å; Y414-K450 HydrophobicContact CE2-CD 4.04Å; Y414-K450 HydrophobicContact CE2-CG 4.28Å; Y414-K450 HydrophobicContact CG-CB 4.42Å
415	L	98.3	Very high	97.6	Very high	22 Å²	22	40 Å²	40	12%	0.115	21%	0.207	C	C	.	.			trans	-61.1	138.9	173	-64.6	173.4	0	0	0	110.8	R398 L401 A402 K407 E411 L412 C417	R398-L415 HydrophobicContact CB-CB 4.49Å; R398-L415 HydrophobicContact CG-CB 4.07Å; R398-L415 PolarHBondContact NE-O 3Å; L401-L415 HydrophobicContact CB-CD1 4.26Å; L401-L415 HydrophobicContact CD2-CB 4.39Å; L401-L415 HydrophobicContact CD2-CD1 4.37Å; L401-L415 HydrophobicContact CG-CD1 4.39Å; A402-L415 HydrophobicContact CB-CD1 3.8Å; K407-L415 HydrophobicContact CB-CD1 4.24Å; K407-L415 HydrophobicContact CD-CD2 4.41Å; K407-L415 HydrophobicContact CG-CD1 4.14Å; K407-L415 HydrophobicContact CG-CD2 3.99Å; E411-L415 PolarHBondContact O-N 3.24Å; L412-L415 PolarHBondContact O-N 3.07Å; L415-C417 PolarHBondContact O-N 2.98Å
416	K	97.6	Very high	97.4	Very high	139 Å²	139	39.5 Å²	39.5	60%	0.604	21%	0.206	S	C	*	.			trans	-82.5	115.4	-179.3	-71.4	-175.2	178	-172.1	0	110	Y414 H447	Y414-K416 PolarHBondContact O-N 3.47Å; K416-H447 VanDerWaalsContact CG-CE1 3.48Å; K416-H447 WeakPolarHBondContact CG-CE1 3.34Å
417	C	97.8	Very high	96.9	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.014	19%	0.191	C	C	.	.			trans	-130.1	72.9	177.9	-63.7	0	0	0	0	108.6	R258 M397 L415	R258-C417 WeakPolarHBondContact CD-O 3.44Å; R258-C417 PolarHBondContact NH1-O 2.94Å; M397-C417 HydrophobicContact CB-CB 4.33Å; M397-C417 HydrophobicContact CE-CB 4.33Å; M397-C417 HydrophobicContact CG-CB 4.11Å; M397-C417 HydrophobicContact SD-CB 3.84Å; L415-C417 PolarHBondContact O-N 2.98Å
418	P	98.1	Very high	96.1	Very high	61 Å²	61	36.5 Å²	36.5	40%	0.396	20%	0.197	S	C	.	.			trans	-64.7	155.4	-174.7	26.6	-33.1	0	0	0	111.8	T421	P418-T421 HydrophobicContact CG-CG2 4.34Å
419	L	98.7	Very high	94.7	Very high	10 Å²	10	35 Å²	35	5%	0.052	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	156.9	168.4	-77.3	170.9	0	0	0	110.2	R258 H259 E261 N265 T421 A443 V444 T446	R258-L419 HydrophobicContact CB-CD2 4.16Å; R258-L419 VanDerWaalsContact CZ-CD2 3.47Å; H259-L419 WeakPolarHBondContact O-CD2 3.49Å; E261-L419 HydrophobicContact CB-CD1 4.16Å; E261-L419 HydrophobicContact CG-CD1 4.24Å; N265-L419 HydrophobicContact CB-CD1 4.48Å; L419-T421 PolarHBondContact O-N 3.25Å; L419-T421 PolarHBondContact O-OG1 3.44Å; L419-A443 HydrophobicContact CB-CB 3.55Å; L419-A443 HydrophobicContact CD1-CB 3.85Å; L419-A443 HydrophobicContact CG-CB 4.33Å; L419-V444 HydrophobicContact CD1-CG2 4.19Å; L419-T446 HydrophobicContact CD1-CG2 4.33Å
420	H	98.7	Very high	93.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	21.2	171.7	-58	175.8	0	0	0	116.3	E261 Y283 Y438 L439 I441 E442	E261-H420 PolarHBondContact N-NE2 2.88Å; Y283-H420 WeakPolarHBondContact CB-CD2 3.42Å; Y283-H420 WeakPolarHBondContact CB-NE2 3.42Å; Y283-H420 AromaticContact CD1-CD2 3.68Å; Y283-H420 VanDerWaalsContact CD2-CA 3.43Å; Y283-H420 HydrophobicContact CD2-CB 3.51Å; Y283-H420 AromaticContact CD2-CD2 3.66Å; Y283-H420 AromaticContact CD2-CG 3.62Å; Y283-H420 VanDerWaalsContact CE2-C 3.44Å; Y283-H420 HydrophobicContact CE2-CB 3.91Å; Y283-H420 HydrophobicContact CG-CB 4.09Å; Y283-H420 AromaticContact CG-CD2 3.25Å; Y283-H420 AromaticContact CG-CG 3.67Å; Y283-H420 AromaticContact CG-NE2 3.82Å; H420-Y438 HydrophobicContact CB-CE2 4.25Å; H420-L439 PolarHBondContact O-N 3.28Å; H420-L439 VanDerWaalsContact O-N 3.13Å; H420-I441 WeakPolarHBondContact CB-O 3.44Å; H420-I441 WeakPolarHBondContact ND1-CG2 3.3Å; H420-I441 PolarHBondContact ND1-O 3.47Å; H420-E442 PolarHBondContact CE1-O 2.93Å; H420-E442 VanDerWaalsContact CE1-O 3.23Å; H420-E442 PolarHBondContact ND1-O 3.46Å; H420-E442 VanDerWaalsContact ND1-O 3.15Å
421	T	98.8	Very high	93	Very high	14 Å²	14	34.9 Å²	34.9	9%	0.086	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.5	179.4	-54.9	0	0	0	0	109.5	P418 L419 L423 P436 I437	P418-T421 HydrophobicContact CG-CG2 4.34Å; L419-T421 PolarHBondContact O-N 3.25Å; L419-T421 PolarHBondContact O-OG1 3.44Å; T421-L423 HydrophobicContact CG2-CD2 4.29Å; T421-P436 HydrophobicContact CG2-CB 4.21Å; T421-I437 WeakPolarHBondContact CA-O 3.47Å
422	V	98.8	Very high	92.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.4	171.9	-177.6	0	0	0	0	108.5	Y255 C257 L287 F290 I437 L439	Y255-V422 HydrophobicContact CD1-CG1 3.94Å; C257-V422 HydrophobicContact CB-CG2 4.19Å; L287-V422 HydrophobicContact CD1-CG2 3.57Å; F290-V422 HydrophobicContact CD1-CG2 4.28Å; F290-V422 HydrophobicContact CE1-CB 4.38Å; F290-V422 HydrophobicContact CE1-CG1 4.09Å; F290-V422 HydrophobicContact CE1-CG2 4.33Å; V422-I437 HydrophobicContact CB-CB 4.48Å; V422-I437 PolarHBondContact N-O 3.33Å; V422-I437 PolarHBondContact O-N 3.49Å; V422-L439 HydrophobicContact CG2-CD1 4.14Å; V422-L439 HydrophobicContact CG2-CG 4.39Å
423	L	98.6	Very high	92.5	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.063	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	109.7	167.7	-58.5	-171.2	0	0	0	108.4	L256 M397 L401 T421 V434 P436	L256-L423 HydrophobicContact CB-CB 4.48Å; L256-L423 PolarHBondContact N-O 2.97Å; L256-L423 PolarHBondContact O-N 3.32Å; M397-L423 HydrophobicContact CE-CB 4.09Å; M397-L423 HydrophobicContact CE-CD1 3.42Å; M397-L423 VanDerWaalsContact CE-CD1 3.42Å; M397-L423 HydrophobicContact CE-CG 3.49Å; M397-L423 VanDerWaalsContact CE-CG 3.49Å; L401-L423 HydrophobicContact CD1-CD1 3.97Å; L401-L423 HydrophobicContact CD2-CD1 3.84Å; T421-L423 HydrophobicContact CG2-CD2 4.29Å; L423-V434 HydrophobicContact CB-CG1 4.3Å; L423-V434 HydrophobicContact CD1-CG1 4.5Å; L423-V434 HydrophobicContact CD2-CG1 4.34Å; L423-P436 HydrophobicContact CD2-CB 3.75Å
424	K	98.1	Very high	92.4	Very high	43 Å²	43	41.3 Å²	41.3	19%	0.187	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	117.9	170.6	179.8	-176.1	-179	-178.3	0	109	S253 Y255 V434 E435 I437	S253-K424 WeakPolarHBondContact OG-CE 3.38Å; Y255-K424 HydrophobicContact CD1-CB 4.07Å; Y255-K424 HydrophobicContact CD1-CG 4.14Å; Y255-K424 HydrophobicContact CE1-CB 4.03Å; Y255-K424 HydrophobicContact CE1-CD 3.85Å; Y255-K424 HydrophobicContact CE1-CG 3.71Å; K424-V434 CarbonylContact O-C 3.57Å; K424-V434 WeakPolarHBondContact O-CA 3.2Å; K424-E435 HydrophobicContact CB-CB 4.27Å; K424-E435 PolarHBondContact N-O 3.37Å; K424-E435 PolarHBondContact O-N 2.91Å; K424-I437 HydrophobicContact CB-CD1 3.96Å
425	L	97.3	Very high	92.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.8	178.6	-59.6	-173	0	0	0	109.2	S253 I254 L256 L401 F404 C432 R433 V434	S253-L425 WeakPolarHBondContact CA-O 3.47Å; I254-L425 HydrophobicContact CB-CB 4.12Å; I254-L425 PolarHBondContact N-O 3.19Å; I254-L425 WeakPolarHBondContact O-CA 3.26Å; I254-L425 WeakPolarHBondContact O-CB 3.22Å; I254-L425 PolarHBondContact O-N 3.41Å; L256-L425 HydrophobicContact CD1-CD1 3.55Å; L256-L425 HydrophobicContact CD1-CG 4.47Å; L256-L425 HydrophobicContact CG-CD1 3.89Å; L256-L425 HydrophobicContact CG-CG 4.48Å; L401-L425 HydrophobicContact CD1-CD1 4.45Å; L401-L425 HydrophobicContact CD1-CD2 3.94Å; F404-L425 HydrophobicContact CB-CD1 4.02Å; F404-L425 HydrophobicContact CD2-CD1 3.54Å; F404-L425 HydrophobicContact CE2-CD1 4.23Å; F404-L425 HydrophobicContact CG-CD1 3.84Å; L425-C432 VanDerWaalsContact CB-SG 3.58Å; L425-R433 WeakPolarHBondContact CA-O 3.37Å; L425-V434 HydrophobicContact CD2-CB 4.2Å; L425-V434 HydrophobicContact CD2-CG1 3.93Å; L425-V434 HydrophobicContact CD2-CG2 3.68Å
426	T	93.3	Very high	92.4	Very high	39 Å²	39	45.4 Å²	45.4	24%	0.239	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	102.6	172.5	-52.4	0	0	0	0	108.5	V428 R433	T426-V428 PolarHBondContact O-N 3Å; T426-R433 PolarHBondContact N-O 3.02Å; T426-R433 PolarHBondContact O-N 3.29Å
427	P	85.4	Confident	92.4	Very high	29 Å²	29	41 Å²	41	19%	0.188	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	133.4	176.2	-23.9	34.6	0	0	0	111	R252	R252-P427 HydrophobicContact CG-CG 4.46Å; R252-P427 WeakPolarHBondContact O-CD 3.34Å
428	V	80.8	Confident	92.4	Very high	77 Å²	77	46.4 Å²	46.4	47%	0.467	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	169.1	176.4	-65.4	0	0	0	0	109.4	T426 Y430 G431	T426-V428 PolarHBondContact O-N 3Å; V428-Y430 PolarHBondContact O-N 2.88Å; V428-G431 PolarHBondContact N-O 2.69Å; V428-G431 PolarHBondContact O-N 2.96Å; V428-G431 VanDerWaalsContact O-N 3.14Å
429	A	66.8	Low	92.4	Very high	18 Å²	18	44.6 Å²	44.6	15%	0.149	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-30.6	-171	0	0	0	0	0	115.4	Y57 V174	Y57-A429 WeakPolarHBondContact CD2-O 3.33Å; V174-A429 HydrophobicContact CG2-CB 3.62Å
430	Y	71.5	Confident	92.4	Very high	117 Å²	117	50.4 Å²	50.4	46%	0.459	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	16	-177.1	-64.4	-63	0	0	0	114.4	T56 V174 V428	T56-Y430 HydrophobicContact CG2-CE1 3.65Å; V174-Y430 HydrophobicContact CB-CE2 4.46Å; V174-Y430 HydrophobicContact CG1-CE2 3.73Å; V174-Y430 WeakPolarHBondContact CG1-OH 3.03Å; V174-Y430 HydrophobicContact CG2-CE2 4.38Å; V428-Y430 PolarHBondContact O-N 2.88Å
431	G	83.3	Confident	92.4	Very high	21 Å²	21	51.8 Å²	51.8	22%	0.216	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.8	-142.6	-177.6	0	0	0	0	0	113.1	V428	V428-G431 PolarHBondContact N-O 2.69Å; V428-G431 PolarHBondContact O-N 2.96Å; V428-G431 VanDerWaalsContact O-N 3.14Å
432	C	90.4	Very high	92.3	Very high	21 Å²	21	57.8 Å²	57.8	14%	0.142	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	128.5	179.8	-168.8	0	0	0	0	109.8	F404 L405 L425	F404-C432 HydrophobicContact CB-CB 4.27Å; F404-C432 WeakPolarHBondContact O-CB 3.27Å; L405-C432 HydrophobicContact CD2-CB 4.14Å; L425-C432 VanDerWaalsContact CB-SG 3.58Å
433	R	93.4	Very high	92.3	Very high	150 Å²	150	59.4 Å²	59.4	57%	0.566	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	138	167.6	179.5	178.7	170.3	176.5	-6.3	108.7	L425 T426 E435	L425-R433 WeakPolarHBondContact CA-O 3.37Å; T426-R433 PolarHBondContact N-O 3.02Å; T426-R433 PolarHBondContact O-N 3.29Å; R433-E435 HydrophobicContact CG-CG 4.25Å; R433-E435 IonicContact CZ-OE2 3.27Å; R433-E435 IonicContact NE-OE1 3.42Å; R433-E435 IonicContact NE-OE2 2.76Å; R433-E435 IonicContact NH2-OE2 2.67Å; R433-E435 PolarHBondContact NH2-OE2 3.33Å
434	V	96.6	Very high	92.2	Very high	51 Å²	51	59.7 Å²	59.7	31%	0.309	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.1	177.3	-170.8	0	0	0	0	109.2	L405 L423 K424 L425	L405-V434 HydrophobicContact CD1-CG2 4.02Å; L405-V434 HydrophobicContact CD2-CG2 3.25Å; L405-V434 HydrophobicContact CG-CG2 4.21Å; L423-V434 HydrophobicContact CB-CG1 4.3Å; L423-V434 HydrophobicContact CD1-CG1 4.5Å; L423-V434 HydrophobicContact CD2-CG1 4.34Å; K424-V434 CarbonylContact O-C 3.57Å; K424-V434 WeakPolarHBondContact O-CA 3.2Å; L425-V434 HydrophobicContact CD2-CB 4.2Å; L425-V434 HydrophobicContact CD2-CG1 3.93Å; L425-V434 HydrophobicContact CD2-CG2 3.68Å
435	E	97.8	Very high	92.2	Very high	55 Å²	55	62.1 Å²	62.1	26%	0.257	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	105	176.2	-56.2	-178.4	-93.3	0	0	108.6	K424 R433	K424-E435 HydrophobicContact CB-CB 4.27Å; K424-E435 PolarHBondContact N-O 3.37Å; K424-E435 PolarHBondContact O-N 2.91Å; R433-E435 HydrophobicContact CG-CG 4.25Å; R433-E435 IonicContact CZ-OE2 3.27Å; R433-E435 IonicContact NE-OE1 3.42Å; R433-E435 IonicContact NE-OE2 2.76Å; R433-E435 IonicContact NH2-OE2 2.67Å; R433-E435 PolarHBondContact NH2-OE2 3.33Å
436	P	97.9	Very high	92.2	Very high	94 Å²	94	63.3 Å²	63.3	61%	0.61	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	129.5	176.4	30.9	-32.4	0	0	0	110.6	T421 L423	T421-P436 HydrophobicContact CG2-CB 4.21Å; L423-P436 HydrophobicContact CD2-CB 3.75Å
437	I	98.6	Very high	92.3	Very high	46 Å²	46	62.3 Å²	62.3	24%	0.236	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	100.7	-178.1	-57.8	137.8	0	0	0	108	F290 T421 V422 K424 L439	F290-I437 HydrophobicContact CD2-CG2 4.26Å; F290-I437 HydrophobicContact CE2-CD1 4.2Å; F290-I437 HydrophobicContact CE2-CG2 3.87Å; F290-I437 HydrophobicContact CZ-CD1 3.76Å; F290-I437 HydrophobicContact CZ-CG2 4.37Å; T421-I437 WeakPolarHBondContact CA-O 3.47Å; V422-I437 HydrophobicContact CB-CB 4.48Å; V422-I437 PolarHBondContact N-O 3.33Å; V422-I437 PolarHBondContact O-N 3.49Å; K424-I437 HydrophobicContact CB-CD1 3.96Å; I437-L439 HydrophobicContact CG2-CD2 3.9Å
438	Y	98.5	Very high	92.8	Very high	116 Å²	116	61.1 Å²	61.1	46%	0.455	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	127.6	174.8	173.6	-124	0	0	0	110	H420 N440 I441 E442	H420-Y438 HydrophobicContact CB-CE2 4.25Å; Y438-N440 VanDerWaalsContact C-N 3.25Å; Y438-N440 VanDerWaalsContact CE1-CA 3.48Å; Y438-N440 HydrophobicContact CE1-CB 4.47Å; Y438-N440 PolarHBondContact O-N 3.47Å; Y438-I441 WeakPolarHBondContact CE2-O 3.2Å; Y438-I441 PolarHBondContact OH-N 3.18Å; Y438-I441 PolarHBondContact OH-O 2.87Å; Y438-I441 VanDerWaalsContact OH-O 3.1Å; Y438-E442 PolarHBondContact OH-N 3.39Å
439	L	98.1	Very high	93.5	Very high	23 Å²	23	61.4 Å²	61.4	12%	0.12	32%	0.315	C	S	.	.			trans	-89.2	19	-173.8	-57.4	-168.8	0	0	0	114.1	Y283 A286 L287 F290 H420 V422 I437 I441	Y283-L439 HydrophobicContact CD2-CB 4.23Å; Y283-L439 HydrophobicContact CD2-CD1 4.08Å; Y283-L439 HydrophobicContact CE2-CB 4.18Å; Y283-L439 HydrophobicContact CE2-CD1 3.52Å; Y283-L439 HydrophobicContact CE2-CG 3.98Å; A286-L439 HydrophobicContact CB-CB 4.13Å; A286-L439 HydrophobicContact CB-CD1 4.32Å; L287-L439 VanDerWaalsContact CA-CD1 3.47Å; L287-L439 HydrophobicContact CB-CD1 3.94Å; L287-L439 HydrophobicContact CD1-CD1 4.12Å; F290-L439 HydrophobicContact CB-CD1 4.24Å; F290-L439 HydrophobicContact CB-CD2 3.98Å; F290-L439 HydrophobicContact CD2-CD2 4.15Å; F290-L439 HydrophobicContact CG-CD2 3.94Å; H420-L439 PolarHBondContact O-N 3.28Å; H420-L439 VanDerWaalsContact O-N 3.13Å; V422-L439 HydrophobicContact CG2-CD1 4.14Å; V422-L439 HydrophobicContact CG2-CG 4.39Å; I437-L439 HydrophobicContact CG2-CD2 3.9Å; L439-I441 VanDerWaalsContact C-N 3.31Å; L439-I441 PolarHBondContact O-N 2.72Å
440	N	97.5	Very high	94.8	Very high	132 Å²	132	66.7 Å²	66.7	71%	0.706	34%	0.335	S	S	*	.	S	Bend	trans	58.7	35.8	174.3	-161.1	45.3	0	0	0	114.8	Y438	Y438-N440 VanDerWaalsContact C-N 3.25Å; Y438-N440 VanDerWaalsContact CE1-CA 3.48Å; Y438-N440 HydrophobicContact CE1-CB 4.47Å; Y438-N440 PolarHBondContact O-N 3.47Å
441	I	98.4	Very high	95.8	Very high	29 Å²	29	61.5 Å²	61.5	15%	0.149	32%	0.316	C	S	.	.			trans	-122.2	120.1	172.1	-54.2	-62.2	0	0	0	107.7	R279 Q282 A286 H420 Y438 L439	R279-I441 HydrophobicContact CB-CG2 4.22Å; Q282-I441 HydrophobicContact CB-CD1 4.09Å; Q282-I441 HydrophobicContact CB-CG2 4.1Å; A286-I441 HydrophobicContact CB-CG1 4.21Å; H420-I441 WeakPolarHBondContact CB-O 3.44Å; H420-I441 WeakPolarHBondContact ND1-CG2 3.3Å; H420-I441 PolarHBondContact ND1-O 3.47Å; Y438-I441 WeakPolarHBondContact CE2-O 3.2Å; Y438-I441 PolarHBondContact OH-N 3.18Å; Y438-I441 PolarHBondContact OH-O 2.87Å; Y438-I441 VanDerWaalsContact OH-O 3.1Å; L439-I441 VanDerWaalsContact C-N 3.31Å; L439-I441 PolarHBondContact O-N 2.72Å
442	E	97.8	Very high	96.2	Very high	140 Å²	140	70.1 Å²	70.1	65%	0.654	35%	0.35	S	S	*	.			trans	-60.1	152.3	179.4	-65.2	-174	170.9	0	0	112.3	R279 H420 Y438	R279-E442 WeakPolarHBondContact CD-O 3.26Å; H420-E442 PolarHBondContact CE1-O 2.93Å; H420-E442 VanDerWaalsContact CE1-O 3.23Å; H420-E442 PolarHBondContact ND1-O 3.46Å; H420-E442 VanDerWaalsContact ND1-O 3.15Å; Y438-E442 PolarHBondContact OH-N 3.39Å
443	A	97.8	Very high	96.2	Very high	34 Å²	34	71.8 Å²	71.8	28%	0.281	36%	0.358	S	S	.	.			trans	-153.2	158.7	172.8	0	0	0	0	0	110	E261 L419	E261-A443 HydrophobicContact CB-CB 4.38Å; E261-A443 WeakPolarHBondContact OE1-CA 3.23Å; L419-A443 HydrophobicContact CB-CB 3.55Å; L419-A443 HydrophobicContact CD1-CB 3.85Å; L419-A443 HydrophobicContact CG-CB 4.33Å
444	V	97.5	Very high	96	Very high	18 Å²	18	66.5 Å²	66.5	11%	0.109	34%	0.342	C	S	.	.			trans	-60.1	151.6	167.3	-64.1	0	0	0	0	111.5	E261 N265 L266 L419 T446 Y471	E261-V444 HydrophobicContact CG-CG2 4.44Å; E261-V444 PolarHBondContact OE1-N 3.12Å; N265-V444 HydrophobicContact CB-CG2 3.83Å; L266-V444 HydrophobicContact CD2-CG1 4.05Å; L419-V444 HydrophobicContact CD1-CG2 4.19Å; V444-T446 HydrophobicContact CG2-CG2 4.14Å; V444-Y471 HydrophobicContact CG1-CD2 3.88Å; V444-Y471 HydrophobicContact CG1-CE2 3.8Å
445	N	97	Very high	95.7	Very high	94 Å²	94	67.8 Å²	67.8	50%	0.503	35%	0.347	S	S	.	.			trans	-83.7	127.9	169.2	-177	19.9	0	0	0	109.6	H447 P468	N445-H447 VanDerWaalsContact OD1-CB 3.22Å; N445-H447 WeakPolarHBondContact OD1-CB 3.46Å; N445-H447 PolarHBondContact OD1-N 3.28Å; N445-P468 HydrophobicContact CB-CB 4.39Å; N445-P468 VanDerWaalsContact O-CB 3.27Å; N445-P468 WeakPolarHBondContact O-CB 3.39Å; N445-P468 WeakPolarHBondContact O-CG 3.36Å
446	T	96.9	Very high	95.3	Very high	25 Å²	25	68.3 Å²	68.3	15%	0.153	35%	0.351	C	S	.	.			trans	-113	7.8	175.2	61.5	0	0	0	0	112.4	R258 N265 Q394 L419 V444	R258-T446 VanDerWaalsContact CZ-OG1 3.32Å; R258-T446 PolarHBondContact NH1-OG1 3.32Å; R258-T446 PolarHBondContact NH2-OG1 3.49Å; N265-T446 HydrophobicContact CB-CG2 4.42Å; Q394-T446 PolarHBondContact NE2-O 3.22Å; Q394-T446 PolarHBondContact OE1-O 3.36Å; Q394-T446 PolarHBondContact OE1-OG1 3.1Å; L419-T446 HydrophobicContact CD1-CG2 4.33Å; V444-T446 HydrophobicContact CG2-CG2 4.14Å
447	H	97.1	Very high	94.9	Very high	19 Å²	19	69.5 Å²	69.5	9%	0.088	36%	0.357	C	S	.	.			trans	-83	124.5	177.7	-168.3	82.4	0	0	0	110.2	R398 Y414 K416 N445 D449	R398-H447 PolarHBondContact NH2-CE1 3.45Å; R398-H447 PolarHBondContact NH2-ND1 2.93Å; R398-H447 VanDerWaalsContact NH2-ND1 3.13Å; Y414-H447 PolarHBondContact O-CE1 3.16Å; Y414-H447 VanDerWaalsContact O-CE1 3.28Å; K416-H447 VanDerWaalsContact CG-CE1 3.48Å; K416-H447 WeakPolarHBondContact CG-CE1 3.34Å; N445-H447 VanDerWaalsContact OD1-CB 3.22Å; N445-H447 WeakPolarHBondContact OD1-CB 3.46Å; N445-H447 PolarHBondContact OD1-N 3.28Å; H447-D449 IonicContact CD2-OD1 3.69Å; H447-D449 PolarHBondContact CD2-OD1 3.37Å; H447-D449 IonicContact NE2-OD1 2.73Å; H447-D449 PolarHBondContact NE2-OD1 3.41Å
448	R	95.7	Very high	94.5	Very high	4 Å²	4	68.1 Å²	68.1	2%	0.015	35%	0.348	C	S	.	.			trans	-111.8	118.5	169.4	170.7	160.5	-169.5	-72.4	14.7	108.7	F350 D354 A463 T466	F350-R448 VanDerWaalsContact CE1-NH2 3.33Å; D354-R448 IonicContact OD1-CZ 2.72Å; D354-R448 IonicContact OD1-NH1 3.33Å; D354-R448 PolarHBondContact OD1-NH1 3.18Å; D354-R448 IonicContact OD1-NH2 3.55Å; D354-R448 PolarHBondContact OD1-NH2 2.85Å; D354-R448 IonicContact OD2-CZ 2.84Å; D354-R448 IonicContact OD2-NH1 2.76Å; D354-R448 IonicContact OD2-NH2 3.43Å; D354-R448 PolarHBondContact OD2-NH2 3.17Å; R448-A463 PolarHBondContact NH2-O 2.93Å; R448-T466 WeakPolarHBondContact CA-O 3.41Å; R448-T466 VanDerWaalsContact CG-O 3.23Å; R448-T466 WeakPolarHBondContact CG-O 3.4Å; R448-T466 PolarHBondContact NE-OG1 2.87Å; R448-T466 PolarHBondContact NH2-OG1 2.76Å
449	D	95.1	Very high	94.3	Very high	82 Å²	82	69.5 Å²	69.5	44%	0.439	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-65.4	169.4	177.3	-71.4	-53	0	0	0	111	H447 P451 T466	H447-D449 IonicContact CD2-OD1 3.69Å; H447-D449 PolarHBondContact CD2-OD1 3.37Å; H447-D449 IonicContact NE2-OD1 2.73Å; H447-D449 PolarHBondContact NE2-OD1 3.41Å; D449-P451 WeakPolarHBondContact O-CD 3.32Å; D449-T466 HydrophobicContact CB-CG2 4.48Å
450	K	93.8	Very high	94	Very high	129 Å²	129	70.7 Å²	70.7	56%	0.561	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-75.8	119.4	174.8	-173.8	173.2	-178.8	179.6	0	108.6	Y414	Y414-K450 HydrophobicContact CD1-CB 3.85Å; Y414-K450 HydrophobicContact CE1-CB 3.51Å; Y414-K450 HydrophobicContact CE1-CG 3.94Å; Y414-K450 HydrophobicContact CE2-CB 4.39Å; Y414-K450 HydrophobicContact CE2-CD 4.04Å; Y414-K450 HydrophobicContact CE2-CG 4.28Å; Y414-K450 HydrophobicContact CG-CB 4.42Å
451	P	93.1	Very high	93.7	Very high	9 Å²	9	72.8 Å²	72.8	6%	0.058	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-68.7	149.3	177.4	26.5	-31.6	0	0	0	111.2	D354 D449 V454 T466	D354-P451 HydrophobicContact CB-CG 3.83Å; D354-P451 WeakPolarHBondContact OD2-CG 3.43Å; D449-P451 WeakPolarHBondContact O-CD 3.32Å; P451-V454 HydrophobicContact CG-CG1 3.98Å; P451-T466 HydrophobicContact CB-CG2 4.15Å
452	E	90.5	Very high	93.4	Very high	201 Å²	201	75.7 Å²	75.7	94%	0.939	39%	0.391	S	S	*	.	S	Bend	trans	-75.6	-48.4	178.9	-63.5	-170.6	165.7	0	0	111.7
453	N	90.1	Very high	93.1	Very high	56 Å²	56	69 Å²	69	30%	0.299	36%	0.36	S	S	.	.			trans	-93.1	126.4	173.2	-175.1	0.4	0	0	0	109.9	D455 R458 E462	N453-D455 WeakPolarHBondContact OD1-CB 3.45Å; N453-D455 PolarHBondContact OD1-N 2.65Å; N453-R458 PolarHBondContact O-NH1 2.85Å; N453-E462 WeakPolarHBondContact CB-OE1 3.44Å; N453-E462 PolarHBondContact ND2-OE1 3.01Å; N453-E462 PolarHBondContact ND2-OE2 2.72Å; N453-E462 VanDerWaalsContact ND2-OE2 3.13Å
454	V	91.1	Very high	92.9	Very high	40 Å²	40	69.5 Å²	69.5	24%	0.242	36%	0.357	C	S	.	.			trans	-123.8	14.7	-179.4	-61.2	0	0	0	0	112.6	D354 Q355 P451	D354-V454 HydrophobicContact CB-CB 4.24Å; D354-V454 HydrophobicContact CB-CG1 3.85Å; Q355-V454 HydrophobicContact CB-CG2 4.47Å; Q355-V454 HydrophobicContact CG-CB 3.77Å; Q355-V454 HydrophobicContact CG-CG2 3.65Å; Q355-V454 WeakPolarHBondContact CG-O 3.23Å; Q355-V454 PolarHBondContact NE2-O 3.17Å; P451-V454 HydrophobicContact CG-CG1 3.98Å
455	D	90	Very high	92.7	Very high	77 Å²	77	75.1 Å²	75.1	41%	0.412	39%	0.387	S	S	.	.			trans	-64.5	143.6	178.5	-160.6	-67.2	0	0	0	111	N453 T457 R458	N453-D455 WeakPolarHBondContact OD1-CB 3.45Å; N453-D455 PolarHBondContact OD1-N 2.65Å; D455-T457 PolarHBondContact O-N 2.69Å; D455-T457 WeakPolarHBondContact OD1-CB 3.39Å; D455-T457 PolarHBondContact OD1-N 2.78Å; D455-T457 PolarHBondContact OD1-OG1 3.07Å; D455-R458 WeakPolarHBondContact O-CD 3.47Å; D455-R458 WeakPolarHBondContact O-CG 3.27Å; D455-R458 PolarHBondContact O-N 3.39Å
456	I	88.4	Confident	92.5	Very high	67 Å²	67	71.9 Å²	71.9	34%	0.344	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-25.8	178.7	-63.9	164.2	0	0	0	111.1	E348 A351 L352	E348-I456 HydrophobicContact CB-CG2 4.29Å; E348-I456 HydrophobicContact CG-CD1 4.37Å; E348-I456 HydrophobicContact CG-CG2 4.24Å; A351-I456 HydrophobicContact CB-CB 4.15Å; A351-I456 HydrophobicContact CB-CG1 3.72Å; L352-I456 HydrophobicContact CD2-CD1 4.38Å
457	T	89.9	Confident	92.3	Very high	118 Å²	118	71.6 Å²	71.6	72%	0.724	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	2.1	-178.1	64.9	0	0	0	0	113.7	D455	D455-T457 PolarHBondContact O-N 2.69Å; D455-T457 WeakPolarHBondContact OD1-CB 3.39Å; D455-T457 PolarHBondContact OD1-N 2.78Å; D455-T457 PolarHBondContact OD1-OG1 3.07Å
458	R	90.8	Very high	92	Very high	17 Å²	17	71.8 Å²	71.8	6%	0.064	37%	0.372	C	S	.	.	S	Bend	trans	-64.5	150.5	177.1	77.3	-169.4	166.2	167.1	1.2	111.2	D354 N453 D455 A463	D354-R458 IonicContact OD2-CZ 3.39Å; D354-R458 IonicContact OD2-NH1 3.25Å; D354-R458 PolarHBondContact OD2-NH1 2.99Å; D354-R458 VanDerWaalsContact OD2-NH1 3.17Å; D354-R458 IonicContact OD2-NH2 2.69Å; D354-R458 PolarHBondContact OD2-NH2 3.36Å; N453-R458 PolarHBondContact O-NH1 2.85Å; D455-R458 WeakPolarHBondContact O-CD 3.47Å; D455-R458 WeakPolarHBondContact O-CG 3.27Å; D455-R458 PolarHBondContact O-N 3.39Å; R458-A463 HydrophobicContact CG-CB 4.21Å
459	E	92.9	Very high	91.7	Very high	145 Å²	145	76.1 Å²	76.1	68%	0.678	41%	0.408	S	S	*	.			trans	-64.6	150.9	179.1	-64.4	-60.7	150.9	0	0	111.3	E461 E462 A463	E459-E461 VanDerWaalsContact C-N 3.29Å; E459-E461 PolarHBondContact O-N 3.2Å; E459-E462 PolarHBondContact O-N 3.48Å; E459-E462 VanDerWaalsContact O-N 3.13Å; E459-A463 PolarHBondContact O-N 3.07Å
460	A	91.7	Very high	91.3	Very high	49 Å²	49	75.6 Å²	75.6	41%	0.405	40%	0.403	S	S	.	.	H	α-helix	trans	-61.1	-37.1	-176.4	0	0	0	0	0	112.8	Q343 E462 A463 L464	Q343-A460 HydrophobicContact CG-CB 4.32Å; A460-E462 VanDerWaalsContact C-N 3.32Å; A460-E462 PolarHBondContact O-N 2.86Å; A460-A463 PolarHBondContact O-N 3.1Å; A460-L464 WeakPolarHBondContact O-CB 3.34Å; A460-L464 VanDerWaalsContact O-CG 3.27Å; A460-L464 WeakPolarHBondContact O-CG 3.19Å; A460-L464 PolarHBondContact O-N 3.35Å; A460-L464 VanDerWaalsContact O-N 3.1Å
461	E	91.9	Very high	90.3	Very high	176 Å²	176	79.7 Å²	79.7	82%	0.822	42%	0.416	S	S	*	.	H	α-helix	trans	-60.1	-42.4	176.3	-64.8	-179.5	-179.5	0	0	111.5	E459 L464 D465	E459-E461 VanDerWaalsContact C-N 3.29Å; E459-E461 PolarHBondContact O-N 3.2Å; E461-L464 PolarHBondContact O-N 3.35Å; E461-D465 PolarHBondContact O-N 3.44Å
462	E	91.9	Very high	90.2	Very high	90 Å²	90	83.2 Å²	83.2	42%	0.421	43%	0.434	S	S	.	.	H	α-helix	trans	-69.6	-37.5	177.9	-170.8	180	-175	0	0	111.9	N453 E459 A460 L464 D465	N453-E462 WeakPolarHBondContact CB-OE1 3.44Å; N453-E462 PolarHBondContact ND2-OE1 3.01Å; N453-E462 PolarHBondContact ND2-OE2 2.72Å; N453-E462 VanDerWaalsContact ND2-OE2 3.13Å; E459-E462 PolarHBondContact O-N 3.48Å; E459-E462 VanDerWaalsContact O-N 3.13Å; A460-E462 VanDerWaalsContact C-N 3.32Å; A460-E462 PolarHBondContact O-N 2.86Å; E462-L464 PolarHBondContact O-N 3.28Å; E462-D465 PolarHBondContact O-N 3.13Å
463	A	90.7	Very high	90.2	Very high	0 Å²	0	77 Å²	77	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-62.3	-33.9	175.7	0	0	0	0	0	112.6	Q343 F350 R448 R458 E459 A460	Q343-A463 HydrophobicContact CG-CB 4.27Å; F350-A463 HydrophobicContact CD1-CB 4.25Å; F350-A463 HydrophobicContact CE1-CB 3.96Å; F350-A463 WeakPolarHBondContact CE1-O 3.49Å; R448-A463 PolarHBondContact NH2-O 2.93Å; R458-A463 HydrophobicContact CG-CB 4.21Å; E459-A463 PolarHBondContact O-N 3.07Å; A460-A463 PolarHBondContact O-N 3.1Å
464	L	94.4	Very high	90.2	Very high	43 Å²	43	78.2 Å²	78.2	23%	0.225	41%	0.414	C	S	.	.	H	α-helix	trans	-92	-7.4	-174.7	-65	171.6	0	0	0	114	E340 Q343 F350 A460 E461 E462 T466 V467	E340-L464 HydrophobicContact CB-CD1 4.49Å; E340-L464 HydrophobicContact CG-CD1 4.09Å; E340-L464 HydrophobicContact CG-CD2 4.15Å; Q343-L464 HydrophobicContact CB-CD2 3.95Å; Q343-L464 HydrophobicContact CB-CG 4.43Å; Q343-L464 HydrophobicContact CG-CD1 4.47Å; Q343-L464 HydrophobicContact CG-CD2 4.33Å; Q343-L464 HydrophobicContact CG-CG 4.28Å; F350-L464 HydrophobicContact CZ-CD2 4.12Å; A460-L464 WeakPolarHBondContact O-CB 3.34Å; A460-L464 VanDerWaalsContact O-CG 3.27Å; A460-L464 WeakPolarHBondContact O-CG 3.19Å; A460-L464 PolarHBondContact O-N 3.35Å; A460-L464 VanDerWaalsContact O-N 3.1Å; E461-L464 PolarHBondContact O-N 3.35Å; E462-L464 PolarHBondContact O-N 3.28Å; L464-T466 PolarHBondContact O-N 3.04Å; L464-T466 VanDerWaalsContact O-N 3.07Å; L464-V467 HydrophobicContact CB-CG2 4.42Å; L464-V467 HydrophobicContact CD2-CG2 3.8Å; L464-V467 VanDerWaalsContact O-CB 3.26Å; L464-V467 WeakPolarHBondContact O-CB 3.04Å; L464-V467 PolarHBondContact O-N 3.39Å
465	D	93.3	Very high	90.1	Very high	136 Å²	136	80.4 Å²	80.4	73%	0.727	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-33.1	-176.5	-178.4	53	0	0	0	114.2	E461 E462	E461-D465 PolarHBondContact O-N 3.44Å; E462-D465 PolarHBondContact O-N 3.13Å
466	T	92.8	Very high	90.1	Very high	26 Å²	26	80.6 Å²	80.6	16%	0.16	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-2.7	178.8	54.8	0	0	0	0	113.9	R448 D449 P451 L464	R448-T466 WeakPolarHBondContact CA-O 3.41Å; R448-T466 VanDerWaalsContact CG-O 3.23Å; R448-T466 WeakPolarHBondContact CG-O 3.4Å; R448-T466 PolarHBondContact NE-OG1 2.87Å; R448-T466 PolarHBondContact NH2-OG1 2.76Å; D449-T466 HydrophobicContact CB-CG2 4.48Å; P451-T466 HydrophobicContact CB-CG2 4.15Å; L464-T466 PolarHBondContact O-N 3.04Å; L464-T466 VanDerWaalsContact O-N 3.07Å
467	V	93.3	Very high	90.2	Very high	20 Å²	20	81.5 Å²	81.5	12%	0.121	43%	0.43	C	S	.	.	S	Bend	trans	-74.9	125.2	178.4	179.4	0	0	0	0	109.5	Y339 E340 F350 L464	Y339-V467 HydrophobicContact CD2-CG1 4.02Å; Y339-V467 HydrophobicContact CD2-CG2 4.5Å; Y339-V467 HydrophobicContact CG-CG1 4.35Å; Y339-V467 HydrophobicContact CG-CG2 4.28Å; E340-V467 VanDerWaalsContact OE1-CG1 3.3Å; E340-V467 WeakPolarHBondContact OE1-CG1 3.38Å; F350-V467 HydrophobicContact CZ-CG2 4.24Å; L464-V467 HydrophobicContact CB-CG2 4.42Å; L464-V467 HydrophobicContact CD2-CG2 3.8Å; L464-V467 VanDerWaalsContact O-CB 3.26Å; L464-V467 WeakPolarHBondContact O-CB 3.04Å; L464-V467 PolarHBondContact O-N 3.39Å
468	P	90.9	Very high	90.2	Very high	23 Å²	23	78.9 Å²	78.9	15%	0.149	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-70.9	144.7	-179.6	28.9	-34.6	0	0	0	111.7	N445 H470	N445-P468 HydrophobicContact CB-CB 4.39Å; N445-P468 VanDerWaalsContact O-CB 3.27Å; N445-P468 WeakPolarHBondContact O-CB 3.39Å; N445-P468 WeakPolarHBondContact O-CG 3.36Å; P468-H470 PolarHBondContact O-ND1 3.38Å
469	A	88	Confident	90.2	Very high	95 Å²	95	83.7 Å²	83.7	79%	0.785	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-59.6	143.8	174.3	0	0	0	0	0	112
470	H	88.6	Confident	90	Very high	70 Å²	70	78.6 Å²	78.6	32%	0.324	42%	0.415	S	S	.	.			trans	-141.1	168.5	178.4	56.5	-85.3	0	0	0	110.6	R267 E340 P468	R267-H470 PolarHBondContact O-CD2 2.77Å; E340-H470 IonicContact OE1-CE1 3.79Å; E340-H470 PolarHBondContact OE1-CE1 2.63Å; E340-H470 IonicContact OE2-CE1 3.52Å; E340-H470 PolarHBondContact OE2-CE1 3.13Å; E340-H470 IonicContact OE2-NE2 2.77Å; P468-H470 PolarHBondContact O-ND1 3.38Å
471	Y	72.3	Confident	89.8	Confident	215 Å²	215	81.3 Å²	81.3	84%	0.843	42%	0.416	S	S	*	.			trans	-87.5	0	-171.4	-73.7	-83	0	0	0	114	L266 V444	L266-Y471 HydrophobicContact CD2-CD2 4.12Å; L266-Y471 HydrophobicContact CD2-CE2 4.43Å; L266-Y471 PolarHBondContact O-N 3.3Å; V444-Y471 HydrophobicContact CG1-CD2 3.88Å; V444-Y471 HydrophobicContact CG1-CE2 3.8Å

Retrieved 471 of 471 residues in 130.5 ms (Link to these results)

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