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6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4

Synthesis and degradation of fructose 2,6-bisphosphate.

AlphaFold DB , UniProt , Accession Q4R8B6, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene PFKFB4, Length 469 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	45	Very low	79.7	Confident	242 Å²	242	112.4 Å²	112.4	100%	1.192	62%	0.616	S	S	*	*				0	127.3	0	-69.7	178.4	-172.5	0	0	107.4	S3	M1-S3 PolarHBondContact O-N 2.89Å
2	A	65.8	Low	80.7	Confident	105 Å²	105	105.9 Å²	105.9	87%	0.868	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-65.9	125.3	171.6	0	0	0	0	0	107.9
3	S	70.5	Confident	81.6	Confident	98 Å²	98	101.9 Å²	101.9	69%	0.685	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-57.3	143.1	175.9	48.8	0	0	0	0	109.9	M1 R5	M1-S3 PolarHBondContact O-N 2.89Å; S3-R5 PolarHBondContact O-N 3.36Å
4	P	75.7	Confident	82.5	Confident	128 Å²	128	96.3 Å²	96.3	83%	0.831	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-51.5	130.4	174.4	-22.4	32.2	0	0	0	109.5	E6	P4-E6 PolarHBondContact O-N 3.4Å
5	R	79.2	Confident	83.1	Confident	196 Å²	196	95.1 Å²	95.1	74%	0.74	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-72.6	130.6	179.8	-66.5	-175.7	-178	-179.5	-0.2	109	S3	S3-R5 PolarHBondContact O-N 3.36Å
6	E	87.8	Confident	83.6	Confident	138 Å²	138	99.4 Å²	99.4	65%	0.645	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-62	147.5	167.1	-170.1	172.1	-162.7	0	0	109.7	P4 Y19	P4-E6 PolarHBondContact O-N 3.4Å; E6-Y19 VanDerWaalsContact O-CB 3.26Å; E6-Y19 WeakPolarHBondContact O-CB 3.43Å; E6-Y19 PolarHBondContact O-N 3.43Å
7	L	89.4	Confident	83.8	Confident	95 Å²	95	95.1 Å²	95.1	50%	0.497	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	146	-179.1	-57.2	-178.7	0	0	0	110.1	W16 M17	L7-W16 HydrophobicContact CB-CE3 3.9Å; L7-W16 HydrophobicContact CB-CZ3 4.46Å; L7-M17 CarbonylContact C-O 3.59Å; L7-M17 WeakPolarHBondContact CA-O 3.36Å
8	T	91.3	Very high	83.8	Confident	42 Å²	42	92.1 Å²	92.1	26%	0.258	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	154.2	167.7	-171	0	0	0	0	109.5	M17 Y19 P24	T8-M17 PolarHBondContact N-O 2.93Å; T8-M17 PolarHBondContact O-N 2.77Å; T8-M17 VanDerWaalsContact O-O 3.11Å; T8-Y19 HydrophobicContact CG2-CD2 3.69Å; T8-Y19 HydrophobicContact CG2-CE2 4.42Å; T8-P24 HydrophobicContact CG2-CB 4.33Å
9	Q	91	Very high	83.1	Confident	75 Å²	75	92.8 Å²	92.8	35%	0.35	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.9	178.1	-161	179.4	39.1	0	0	110	P11 K14 I15 W16	Q9-P11 WeakPolarHBondContact O-CD 3.38Å; Q9-K14 VanDerWaalsContact CG-C 3.44Å; Q9-K14 HydrophobicContact CG-CB 4.42Å; Q9-K14 PolarHBondContact NE2-O 2.98Å; Q9-I15 WeakPolarHBondContact CA-O 3.36Å; Q9-W16 HydrophobicContact CB-CD2 4.19Å; Q9-W16 HydrophobicContact CB-CE3 4.02Å; Q9-W16 HydrophobicContact CB-CH2 4.31Å; Q9-W16 HydrophobicContact CB-CZ2 4.45Å; Q9-W16 HydrophobicContact CB-CZ3 4.1Å; Q9-W16 HydrophobicContact CG-CD2 4.33Å
10	N	90.2	Very high	82.2	Confident	42 Å²	42	91 Å²	91	23%	0.225	48%	0.476	C	S	.	.			trans	-57.8	123.4	170.5	-178.7	-81.7	0	0	0	109.3	L12 K13 K14 I15 M17	N10-L12 VanDerWaalsContact C-N 3.31Å; N10-L12 PolarHBondContact O-N 2.85Å; N10-L12 WeakPolarHBondContact OD1-CA 3.34Å; N10-L12 WeakPolarHBondContact OD1-CB 3.32Å; N10-L12 PolarHBondContact OD1-N 3.39Å; N10-K13 PolarHBondContact OD1-N 3.21Å; N10-K14 WeakPolarHBondContact O-CA 3.48Å; N10-K14 PolarHBondContact O-N 3.05Å; N10-I15 PolarHBondContact N-O 3.03Å; N10-M17 HydrophobicContact CB-CE 3.62Å; N10-M17 HydrophobicContact CB-SD 4.24Å
11	P	90.5	Very high	80.9	Confident	75 Å²	75	94.7 Å²	94.7	49%	0.487	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-34.9	-176.4	-25.7	34.6	0	0	0	113.9	Q9 K14 L350	Q9-P11 WeakPolarHBondContact O-CD 3.38Å; P11-K14 WeakPolarHBondContact O-CE 3.43Å; P11-K14 PolarHBondContact O-NZ 2.92Å; P11-L350 HydrophobicContact CB-CD1 3.84Å
12	L	92	Very high	81.3	Confident	35 Å²	35	85.7 Å²	85.7	18%	0.183	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-56.6	-176	-173.8	75	0	0	0	112	N10 L350 D354 R357 Y358 R359	N10-L12 VanDerWaalsContact C-N 3.31Å; N10-L12 PolarHBondContact O-N 2.85Å; N10-L12 WeakPolarHBondContact OD1-CA 3.34Å; N10-L12 WeakPolarHBondContact OD1-CB 3.32Å; N10-L12 PolarHBondContact OD1-N 3.39Å; L12-L350 HydrophobicContact CD1-CB 4.44Å; L12-L350 WeakPolarHBondContact CD1-O 3.46Å; L12-D354 HydrophobicContact CD1-CB 4.19Å; L12-D354 HydrophobicContact CD2-CB 3.96Å; L12-R357 HydrophobicContact CD2-CB 4.15Å; L12-Y358 HydrophobicContact CD1-CD2 4.35Å; L12-Y358 WeakPolarHBondContact O-CA 3.5Å; L12-R359 PolarHBondContact O-N 3.32Å
13	K	92.5	Very high	80.3	Confident	54 Å²	54	90 Å²	90	24%	0.235	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-10.8	-173.7	-62.5	-164.8	171.1	-132.8	0	113.9	N10 I15 R359 E367	N10-K13 PolarHBondContact OD1-N 3.21Å; K13-I15 HydrophobicContact CB-CD1 3.81Å; K13-I15 HydrophobicContact CB-CG1 3.86Å; K13-I15 HydrophobicContact CD-CD1 3.9Å; K13-I15 PolarHBondContact O-N 3.42Å; K13-R359 PolarHBondContact O-NH1 3.25Å; K13-E367 IonicContact NZ-OE1 3.41Å; K13-E367 PolarHBondContact NZ-OE1 2.9Å; K13-E367 IonicContact NZ-OE2 3.44Å; K13-E367 PolarHBondContact NZ-OE2 2.91Å
14	K	94.6	Very high	79.2	Confident	23 Å²	23	88.4 Å²	88.4	10%	0.1	45%	0.447	C	S	.	.			trans	57.5	31.8	-174.7	-52.1	-57.5	-168.4	-63.4	0	113.8	Q9 N10 P11 E347 R359	Q9-K14 VanDerWaalsContact CG-C 3.44Å; Q9-K14 HydrophobicContact CG-CB 4.42Å; Q9-K14 PolarHBondContact NE2-O 2.98Å; N10-K14 WeakPolarHBondContact O-CA 3.48Å; N10-K14 PolarHBondContact O-N 3.05Å; P11-K14 WeakPolarHBondContact O-CE 3.43Å; P11-K14 PolarHBondContact O-NZ 2.92Å; K14-E347 WeakPolarHBondContact CE-OE1 3.25Å; K14-E347 WeakPolarHBondContact CE-OE2 2.99Å; K14-E347 IonicContact NZ-OE1 2.88Å; K14-E347 PolarHBondContact NZ-OE1 3.46Å; K14-E347 IonicContact NZ-OE2 3.8Å; K14-E347 PolarHBondContact NZ-OE2 3.1Å; K14-R359 HydrophobicContact CB-CB 4.48Å; K14-R359 HydrophobicContact CG-CB 4.18Å; K14-R359 WeakPolarHBondContact CG-O 3.21Å; K14-R359 PolarHBondContact NZ-O 3.34Å
15	I	91.5	Very high	77.8	Confident	78 Å²	78	83.6 Å²	83.6	40%	0.4	42%	0.418	S	S	.	.			trans	-93.4	131.6	177.9	-62.1	173.5	0	0	0	109.8	Q9 N10 K13 M17	Q9-I15 WeakPolarHBondContact CA-O 3.36Å; N10-I15 PolarHBondContact N-O 3.03Å; K13-I15 HydrophobicContact CB-CD1 3.81Å; K13-I15 HydrophobicContact CB-CG1 3.86Å; K13-I15 HydrophobicContact CD-CD1 3.9Å; K13-I15 PolarHBondContact O-N 3.42Å; I15-M17 HydrophobicContact CG2-CG 4.35Å
16	W	91	Very high	76.1	Confident	165 Å²	165	82.1 Å²	82.1	63%	0.625	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	130.2	173.8	-69	101.1	0	0	0	111.3	L7 Q9	L7-W16 HydrophobicContact CB-CE3 3.9Å; L7-W16 HydrophobicContact CB-CZ3 4.46Å; Q9-W16 HydrophobicContact CB-CD2 4.19Å; Q9-W16 HydrophobicContact CB-CE3 4.02Å; Q9-W16 HydrophobicContact CB-CH2 4.31Å; Q9-W16 HydrophobicContact CB-CZ2 4.45Å; Q9-W16 HydrophobicContact CB-CZ3 4.1Å; Q9-W16 HydrophobicContact CG-CD2 4.33Å
17	M	86.8	Confident	73.9	Confident	25 Å²	25	83.3 Å²	83.3	12%	0.123	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	151.3	-177.9	-58.3	179.5	-55.2	0	0	110.1	L7 T8 N10 I15 Y19 P24	L7-M17 CarbonylContact C-O 3.59Å; L7-M17 WeakPolarHBondContact CA-O 3.36Å; T8-M17 PolarHBondContact N-O 2.93Å; T8-M17 PolarHBondContact O-N 2.77Å; T8-M17 VanDerWaalsContact O-O 3.11Å; N10-M17 HydrophobicContact CB-CE 3.62Å; N10-M17 HydrophobicContact CB-SD 4.24Å; I15-M17 HydrophobicContact CG2-CG 4.35Å; M17-Y19 PolarHBondContact O-N 2.86Å; M17-P24 HydrophobicContact CE-CB 3.39Å; M17-P24 HydrophobicContact CE-CG 4.39Å
18	P	84.6	Confident	71.4	Confident	42 Å²	42	82.2 Å²	82.2	27%	0.273	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	134.7	174.4	-19.4	31.2	0	0	0	111.9	A25	P18-A25 WeakPolarHBondContact O-CB 3.43Å; P18-A25 PolarHBondContact O-N 3.23Å
19	Y	70.1	Confident	68.6	Low	105 Å²	105	85 Å²	85	41%	0.412	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	124.6	173.9	-160.6	-112.9	0	0	0	109.3	E6 T8 M17	E6-Y19 VanDerWaalsContact O-CB 3.26Å; E6-Y19 WeakPolarHBondContact O-CB 3.43Å; E6-Y19 PolarHBondContact O-N 3.43Å; T8-Y19 HydrophobicContact CG2-CD2 3.69Å; T8-Y19 HydrophobicContact CG2-CE2 4.42Å; M17-Y19 PolarHBondContact O-N 2.86Å
20	S	63.8	Low	65.9	Low	56 Å²	56	90.8 Å²	90.8	39%	0.392	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	121.5	172.1	82.4	0	0	0	0	111.7	G22 R23 A25	S20-G22 PolarHBondContact O-N 2.91Å; S20-R23 PolarHBondContact N-O 3.21Å; S20-R23 PolarHBondContact O-N 3.38Å; S20-A25 WeakPolarHBondContact OG-CB 3.49Å
21	N	55.9	Low	63	Low	170 Å²	170	98.6 Å²	98.6	91%	0.909	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	48.7	172	-65.3	-7.4	0	0	0	114.6	R23	N21-R23 PolarHBondContact O-N 3.26Å
22	G	53.7	Low	60.3	Low	53 Å²	53	98.4 Å²	98.4	55%	0.546	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	8.3	172.8	0	0	0	0	0	115.4	S20	S20-G22 PolarHBondContact O-N 2.91Å
23	R	44.7	Very low	57.5	Low	196 Å²	196	101.1 Å²	101.1	74%	0.74	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.9	150.7	171	-67.9	-174.3	179.3	-176.1	-0.4	109.7	S20 N21 A25	S20-R23 PolarHBondContact N-O 3.21Å; S20-R23 PolarHBondContact O-N 3.38Å; N21-R23 PolarHBondContact O-N 3.26Å; R23-A25 PolarHBondContact O-N 2.8Å; R23-A25 VanDerWaalsContact O-N 3.14Å
24	P	47.5	Very low	54.7	Low	64 Å²	64	102.2 Å²	102.2	42%	0.416	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-53.1	126.4	165.7	20.5	-29	0	0	0	107.8	T8 M17 L26	T8-P24 HydrophobicContact CG2-CB 4.33Å; M17-P24 HydrophobicContact CE-CB 3.39Å; M17-P24 HydrophobicContact CE-CG 4.39Å; P24-L26 VanDerWaalsContact C-N 3.31Å; P24-L26 PolarHBondContact O-N 3.09Å
25	A	45.5	Very low	51.9	Low	26 Å²	26	109.1 Å²	109.1	22%	0.215	59%	0.585	C	S	.	*			trans	-60.3	100.3	174.6	0	0	0	0	0	106.8	P18 S20 R23 H27	P18-A25 WeakPolarHBondContact O-CB 3.43Å; P18-A25 PolarHBondContact O-N 3.23Å; S20-A25 WeakPolarHBondContact OG-CB 3.49Å; R23-A25 PolarHBondContact O-N 2.8Å; R23-A25 VanDerWaalsContact O-N 3.14Å; A25-H27 PolarHBondContact O-N 3.29Å
26	L	43.8	Very low	50	Low	166 Å²	166	110 Å²	110	87%	0.869	59%	0.594	S	S	*	*			trans	-48.6	119.2	165.6	-80.7	163.9	0	0	0	104.7	P24 A28	P24-L26 VanDerWaalsContact C-N 3.31Å; P24-L26 PolarHBondContact O-N 3.09Å; L26-A28 PolarHBondContact O-N 3.29Å
27	H	42.2	Very low	49	Very low	162 Å²	162	107.2 Å²	107.2	75%	0.75	59%	0.591	S	S	*	*			trans	-38.8	120.2	-177.5	-100.2	-83.5	0	0	0	108.6	A25 C29	A25-H27 PolarHBondContact O-N 3.29Å; H27-C29 PolarHBondContact O-N 3.41Å
28	A	36.3	Very low	49	Very low	72 Å²	72	107.4 Å²	107.4	60%	0.595	59%	0.594	S	S	*	*	S	Bend	trans	-48.4	101.2	-171	0	0	0	0	0	110.4	L26	L26-A28 PolarHBondContact O-N 3.29Å
29	C	33.1	Very low	49.5	Very low	101 Å²	101	106.2 Å²	106.2	68%	0.682	59%	0.587	S	S	*	*			trans	63.3	149.9	166.5	-173	0	0	0	0	113.8	H27 R31	H27-C29 PolarHBondContact O-N 3.41Å; C29-R31 HydrophobicContact CB-CG 4.09Å; C29-R31 PolarHBondContact O-N 3.37Å
30	Q	34.4	Very low	50.7	Low	197 Å²	197	101.3 Å²	101.3	92%	0.921	57%	0.568	S	S	*	*			trans	-59.6	64.7	147.6	-70.2	169.6	-30.6	0	0	108.2	G32	Q30-G32 PolarHBondContact O-N 3.45Å
31	R	29.2	Very low	52.4	Low	206 Å²	206	98.7 Å²	98.7	78%	0.777	55%	0.549	S	S	*	.			trans	-61.4	116.4	170.2	-92.2	-179.8	179.4	-158.3	-0.8	105	C29 V33	C29-R31 HydrophobicContact CB-CG 4.09Å; C29-R31 PolarHBondContact O-N 3.37Å; R31-V33 PolarHBondContact O-N 3.09Å
32	G	33	Very low	54.4	Low	71 Å²	71	90.6 Å²	90.6	73%	0.732	51%	0.506	S	S	*	.			trans	-39.7	128.2	-172.6	0	0	0	0	0	111.1	Q30 C34	Q30-G32 PolarHBondContact O-N 3.45Å; G32-C34 PolarHBondContact O-N 2.61Å
33	V	33.2	Very low	56.5	Low	92 Å²	92	88 Å²	88	56%	0.558	48%	0.48	S	S	*	.			trans	-0.6	95.6	168.4	-173.2	0	0	0	0	111.1	R31 M35	R31-V33 PolarHBondContact O-N 3.09Å; V33-M35 PolarHBondContact O-N 3.11Å; V33-M35 VanDerWaalsContact O-N 3.14Å
34	C	33.7	Very low	59.1	Low	77 Å²	77	78.7 Å²	78.7	52%	0.52	45%	0.445	S	S	.	.			trans	-50.3	126.7	159.5	-175	0	0	0	0	105.5	G32 T36 N37	G32-C34 PolarHBondContact O-N 2.61Å; C34-T36 PolarHBondContact O-N 2.77Å; C34-T36 PolarHBondContact SG-OG1 3.34Å; C34-N37 PolarHBondContact O-N 2.68Å
35	M	35	Very low	61.5	Low	168 Å²	168	75.7 Å²	75.7	83%	0.828	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-54.6	-10.6	-179.2	-84.1	-170	165.6	0	0	113.3	V33 N37 C38	V33-M35 PolarHBondContact O-N 3.11Å; V33-M35 VanDerWaalsContact O-N 3.14Å; M35-N37 VanDerWaalsContact C-N 3.32Å; M35-C38 PolarHBondContact O-SG 2.88Å
36	T	51.6	Low	63.9	Low	96 Å²	96	74.4 Å²	74.4	59%	0.589	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-70.2	-23.1	170.5	62.4	0	0	0	0	114	C34	C34-T36 PolarHBondContact O-N 2.77Å; C34-T36 PolarHBondContact SG-OG1 3.34Å
37	N	70	Confident	66.4	Low	107 Å²	107	67.3 Å²	67.3	57%	0.572	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-120.9	34.2	-174.1	-70.6	11.4	0	0	0	112.9	C34 M35	C34-N37 PolarHBondContact O-N 2.68Å; M35-N37 VanDerWaalsContact C-N 3.32Å
38	C	87	Confident	68.7	Low	28 Å²	28	60 Å²	60	19%	0.189	34%	0.344	C	S	.	.			trans	-59.4	135.7	172.6	-53.1	0	0	0	0	110.1	M35 K151	M35-C38 PolarHBondContact O-SG 2.88Å; C38-K151 HydrophobicContact CB-CG 4.17Å
39	P	95.3	Very high	71.2	Confident	18 Å²	18	56.8 Å²	56.8	12%	0.117	32%	0.318	C	S	.	.			trans	-58.3	151.5	174.1	-21.8	31.8	0	0	0	112.1	L118 H124 Y150 K151	P39-L118 HydrophobicContact CB-CB 4.05Å; P39-L118 HydrophobicContact CB-CD1 4.11Å; P39-L118 HydrophobicContact CB-CD2 4.03Å; P39-L118 HydrophobicContact CB-CG 4.28Å; P39-L118 HydrophobicContact CG-CB 4.48Å; P39-H124 CarbonylContact C-O 3.57Å; P39-H124 VanDerWaalsContact CA-O 3.29Å; P39-H124 WeakPolarHBondContact CA-O 3.38Å; P39-Y150 HydrophobicContact CB-CD1 4.04Å; P39-Y150 HydrophobicContact CG-CD1 4.23Å; P39-Y150 HydrophobicContact CG-CE1 4.45Å; P39-Y150 CarbonylContact O-C 3.25Å; P39-Y150 VanDerWaalsContact O-CA 3.29Å; P39-Y150 WeakPolarHBondContact O-CA 3.29Å; P39-K151 PolarHBondContact O-N 3.5Å
40	T	96.8	Very high	73.9	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.012	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.6	-177.7	-61	0	0	0	0	111	I42 H124 V125 A126 K151 F153	T40-I42 HydrophobicContact CG2-CG1 4.12Å; T40-H124 PolarHBondContact N-O 3.38Å; T40-V125 CarbonylContact O-C 3.57Å; T40-V125 VanDerWaalsContact O-CA 3.3Å; T40-V125 WeakPolarHBondContact O-CA 3.47Å; T40-A126 PolarHBondContact O-N 3.3Å; T40-K151 CarbonylContact C-O 3.57Å; T40-K151 WeakPolarHBondContact CA-O 3.14Å; T40-F153 HydrophobicContact CG2-CB 4.26Å
41	L	98.1	Very high	76.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	106.4	168.1	178.2	55.9	0	0	0	109.3	V43 V114 A126 F128 I141 F144 K151 T152 F153	L41-V43 HydrophobicContact CD2-CG2 4.45Å; L41-V43 HydrophobicContact CG-CG2 4Å; L41-V114 HydrophobicContact CD1-CG1 3.9Å; L41-V114 HydrophobicContact CD1-CG2 4.47Å; L41-A126 HydrophobicContact CD1-CB 4.09Å; L41-F128 HydrophobicContact CD1-CB 3.96Å; L41-I141 HydrophobicContact CD2-CG2 3.77Å; L41-F144 HydrophobicContact CD2-CD1 3.98Å; L41-F144 HydrophobicContact CD2-CE1 4.23Å; L41-K151 PolarHBondContact N-O 2.98Å; L41-T152 WeakPolarHBondContact O-CA 3.26Å; L41-F153 PolarHBondContact O-N 3.33Å
42	I	98.6	Very high	79.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.5	171.8	-58.8	-177.9	0	0	0	108.5	T40 M44 L59 L63 V125 A126 V127 F128 F153 V155 I238	T40-I42 HydrophobicContact CG2-CG1 4.12Å; I42-M44 HydrophobicContact CG2-SD 4.26Å; I42-L59 HydrophobicContact CD1-CD2 3.59Å; I42-L63 HydrophobicContact CD1-CD1 4.5Å; I42-V125 HydrophobicContact CD1-CG1 3.55Å; I42-V125 HydrophobicContact CG1-CG1 3.81Å; I42-A126 PolarHBondContact N-O 2.94Å; I42-V127 HydrophobicContact CB-CG2 4.32Å; I42-V127 HydrophobicContact CD1-CG2 4.27Å; I42-V127 HydrophobicContact CG2-CG1 4.36Å; I42-F128 WeakPolarHBondContact O-CB 3.38Å; I42-F128 PolarHBondContact O-N 3.05Å; I42-F153 CarbonylContact C-O 3.56Å; I42-F153 VanDerWaalsContact CA-O 3.26Å; I42-F153 WeakPolarHBondContact CA-O 3.48Å; I42-V155 HydrophobicContact CG2-CB 4.48Å; I42-V155 HydrophobicContact CG2-CG2 3.74Å; I42-I238 HydrophobicContact CD1-CD1 3.49Å; I42-I238 VanDerWaalsContact CD1-CD1 3.49Å; I42-I238 HydrophobicContact CD1-CG1 4.26Å; I42-I238 HydrophobicContact CG1-CD1 4.31Å
43	V	98.6	Very high	82.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	112	-178.3	-174.5	0	0	0	0	109.2	L41 N132 I141 T152 F153 F154 V155	L41-V43 HydrophobicContact CD2-CG2 4.45Å; L41-V43 HydrophobicContact CG-CG2 4Å; V43-N132 HydrophobicContact CG1-CB 4.28Å; V43-N132 WeakPolarHBondContact CG1-ND2 3.24Å; V43-I141 HydrophobicContact CG1-CD1 4.01Å; V43-I141 HydrophobicContact CG1-CG2 4.29Å; V43-I141 HydrophobicContact CG2-CG2 3.53Å; V43-T152 HydrophobicContact CG2-CG2 3.78Å; V43-F153 PolarHBondContact N-O 2.99Å; V43-F154 HydrophobicContact CB-CD1 3.59Å; V43-F154 HydrophobicContact CB-CE1 3.78Å; V43-F154 HydrophobicContact CB-CG 4.36Å; V43-F154 HydrophobicContact CG1-CD1 3.78Å; V43-F154 HydrophobicContact CG1-CE1 3.76Å; V43-F154 HydrophobicContact CG2-CD1 4.35Å; V43-F154 HydrophobicContact CG2-CE1 4.13Å; V43-F154 WeakPolarHBondContact O-CA 3.39Å; V43-V155 PolarHBondContact O-N 2.94Å
44	M	98.4	Very high	84.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	138.3	176.1	-56.9	-55.6	-57	0	0	110.2	I42 K52 I55 S56 V127 F128 D129 N132 V155	I42-M44 HydrophobicContact CG2-SD 4.26Å; M44-K52 HydrophobicContact CB-CB 4.35Å; M44-K52 HydrophobicContact CB-CD 4.08Å; M44-K52 HydrophobicContact CB-CG 4.44Å; M44-K52 HydrophobicContact CE-CB 4.18Å; M44-K52 HydrophobicContact CE-CG 4.39Å; M44-I55 HydrophobicContact CE-CB 3.98Å; M44-I55 HydrophobicContact CE-CG2 3.79Å; M44-S56 VanDerWaalsContact CG-OG 3.24Å; M44-S56 WeakPolarHBondContact CG-OG 3.33Å; M44-V127 HydrophobicContact CG-CG1 4.1Å; M44-V127 HydrophobicContact SD-CG1 4.1Å; M44-F128 PolarHBondContact N-O 3.42Å; M44-F128 VanDerWaalsContact N-O 3.11Å; M44-D129 HydrophobicContact CG-CB 4.34Å; M44-N132 WeakPolarHBondContact O-CB 3.29Å; M44-N132 PolarHBondContact O-ND2 2.86Å; M44-V155 CarbonylContact C-O 3.53Å; M44-V155 WeakPolarHBondContact CA-O 3.45Å; M44-V155 HydrophobicContact CE-CB 3.96Å; M44-V155 HydrophobicContact CE-CG1 3.71Å; M44-V155 HydrophobicContact SD-CB 3.88Å; M44-V155 HydrophobicContact SD-CG1 4.22Å
45	V	98.2	Very high	87.7	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	142.1	179	-176.3	0	0	0	0	109.8	T131 N132 F154 V155 E156 S157	V45-T131 CarbonylContact C-O 3.57Å; V45-T131 WeakPolarHBondContact CA-O 3.3Å; V45-N132 HydrophobicContact CG2-CB 4.28Å; V45-F154 HydrophobicContact CG2-CB 4.42Å; V45-F154 HydrophobicContact CG2-CD1 3.85Å; V45-V155 PolarHBondContact N-O 2.93Å; V45-E156 HydrophobicContact CB-CB 3.92Å; V45-E156 HydrophobicContact CB-CG 3.94Å; V45-E156 HydrophobicContact CG1-CB 4.32Å; V45-E156 HydrophobicContact CG1-CG 3.87Å; V45-E156 WeakPolarHBondContact O-CA 3.45Å; V45-S157 PolarHBondContact O-N 3.2Å
46	G	96.3	Very high	90.6	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	135.1	168.5	170.6	0	0	0	0	0	114	K52 T131	G46-K52 WeakPolarHBondContact O-CE 2.99Å; G46-K52 PolarHBondContact O-NZ 3.34Å; G46-T131 PolarHBondContact N-O 3.27Å; G46-T131 WeakPolarHBondContact O-CA 3.34Å
47	L	94.8	Very high	92.6	Very high	16 Å²	16	18.5 Å²	18.5	8%	0.084	10%	0.101	C	C	.	.			trans	-65.8	158.1	-177.1	-65.7	172.8	0	0	0	113	R50 K52 T133 E199 Y202	L47-R50 HydrophobicContact CB-CG 4.35Å; L47-R50 WeakPolarHBondContact O-CB 3.37Å; L47-R50 PolarHBondContact O-N 3.31Å; L47-K52 PolarHBondContact O-NZ 3.47Å; L47-T133 HydrophobicContact CD2-CG2 4.23Å; L47-E199 HydrophobicContact CD1-CG 3.67Å; L47-E199 HydrophobicContact CD2-CG 4.01Å; L47-Y202 HydrophobicContact CD1-CD1 3.86Å; L47-Y202 HydrophobicContact CD1-CE1 4.15Å; L47-Y202 HydrophobicContact CD2-CD1 3.95Å; L47-Y202 HydrophobicContact CD2-CG 4.04Å; L47-Y202 HydrophobicContact CG-CD1 3.73Å; L47-Y202 HydrophobicContact CG-CE1 3.99Å; L47-Y202 HydrophobicContact CG-CG 4.25Å
48	P	91.9	Very high	93.7	Very high	8 Å²	8	13.9 Å²	13.9	5%	0.052	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	151.5	173.4	-21.7	32.7	0	0	0	112.5	R50 T131 F191 I195 Y198	P48-R50 WeakPolarHBondContact O-CD 3.42Å; P48-R50 PolarHBondContact O-N 3.47Å; P48-R50 PolarHBondContact O-NH1 3.05Å; P48-T131 HydrophobicContact CG-CG2 4.22Å; P48-F191 HydrophobicContact CB-CE1 3.87Å; P48-F191 HydrophobicContact CB-CZ 3.8Å; P48-I195 HydrophobicContact CB-CG1 3.95Å; P48-I195 HydrophobicContact CG-CG1 4.29Å; P48-Y198 HydrophobicContact CG-CD2 3.63Å; P48-Y198 HydrophobicContact CG-CE2 3.96Å; P48-Y198 HydrophobicContact CG-CG 4.34Å
49	A	88.3	Confident	94.1	Very high	6 Å²	6	12.5 Å²	12.5	5%	0.05	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	13.8	-176.3	0	0	0	0	0	117.1	G51 N168 I169 F191 I195	A49-G51 PolarHBondContact O-N 3.16Å; A49-N168 HydrophobicContact CB-CB 4.26Å; A49-N168 WeakPolarHBondContact O-CB 3.27Å; A49-N168 PolarHBondContact O-ND2 3.14Å; A49-I169 HydrophobicContact CB-CG1 3.81Å; A49-F191 HydrophobicContact CB-CE1 3.72Å; A49-F191 HydrophobicContact CB-CZ 4.41Å; A49-I195 HydrophobicContact CB-CD1 4.43Å
50	R	89.8	Confident	94.2	Very high	16 Å²	16	12.5 Å²	12.5	6%	0.06	7%	0.066	C	C	.	.	S	Bend	trans	-97	48.3	171.7	-74.2	56.8	176.9	-165.7	-4.3	112	L47 P48 K52 S157 C159 E199	L47-R50 HydrophobicContact CB-CG 4.35Å; L47-R50 WeakPolarHBondContact O-CB 3.37Å; L47-R50 PolarHBondContact O-N 3.31Å; P48-R50 WeakPolarHBondContact O-CD 3.42Å; P48-R50 PolarHBondContact O-N 3.47Å; P48-R50 PolarHBondContact O-NH1 3.05Å; R50-K52 PolarHBondContact O-N 3.48Å; R50-S157 WeakPolarHBondContact O-CB 3.22Å; R50-S157 PolarHBondContact O-OG 3.34Å; R50-C159 HydrophobicContact CG-CB 4.15Å; R50-E199 IonicContact NH2-OE1 3.52Å; R50-E199 PolarHBondContact NH2-OE1 2.98Å
51	G	88.5	Confident	94.1	Very high	24 Å²	24	13.2 Å²	13.2	25%	0.247	7%	0.069	C	C	.	.	S	Bend	trans	62.2	-1.8	171.3	0	0	0	0	0	119.9	A49 T53 Y54 I55	A49-G51 PolarHBondContact O-N 3.16Å; G51-T53 PolarHBondContact O-N 2.95Å; G51-Y54 WeakPolarHBondContact O-CA 3.39Å; G51-Y54 VanDerWaalsContact O-CB 3.28Å; G51-Y54 WeakPolarHBondContact O-CB 3.49Å; G51-Y54 PolarHBondContact O-N 3.02Å; G51-I55 PolarHBondContact O-N 2.88Å
52	K	92.4	Very high	94	Very high	14 Å²	14	13.2 Å²	13.2	6%	0.061	7%	0.069	C	C	.	.	H	α-helix	trans	-51.8	-49.3	-174.2	-65.3	-172.3	-57.3	-70.7	0	114.9	M44 G46 L47 R50 Y54 I55 S56 A130	M44-K52 HydrophobicContact CB-CB 4.35Å; M44-K52 HydrophobicContact CB-CD 4.08Å; M44-K52 HydrophobicContact CB-CG 4.44Å; M44-K52 HydrophobicContact CE-CB 4.18Å; M44-K52 HydrophobicContact CE-CG 4.39Å; G46-K52 WeakPolarHBondContact O-CE 2.99Å; G46-K52 PolarHBondContact O-NZ 3.34Å; L47-K52 PolarHBondContact O-NZ 3.47Å; R50-K52 PolarHBondContact O-N 3.48Å; K52-Y54 VanDerWaalsContact C-N 3.3Å; K52-Y54 PolarHBondContact O-N 3.37Å; K52-I55 PolarHBondContact O-N 2.96Å; K52-S56 WeakPolarHBondContact O-CB 3.45Å; K52-S56 PolarHBondContact O-N 2.92Å; K52-S56 PolarHBondContact O-OG 3.05Å; K52-A130 WeakPolarHBondContact CD-O 3.29Å; K52-A130 WeakPolarHBondContact CE-O 3.45Å
53	T	90.3	Very high	93.9	Very high	19 Å²	19	13.2 Å²	13.2	12%	0.117	7%	0.069	C	C	.	.	H	α-helix	trans	-66.8	-33.6	179.5	-48.8	0	0	0	0	111.8	G51 S56 K57 D129 Y428	G51-T53 PolarHBondContact O-N 2.95Å; T53-S56 PolarHBondContact O-N 3.22Å; T53-K57 HydrophobicContact CG2-CD 4.38Å; T53-K57 WeakPolarHBondContact O-CB 3.2Å; T53-K57 WeakPolarHBondContact O-CG 3.31Å; T53-K57 PolarHBondContact O-N 3.49Å; T53-D129 WeakPolarHBondContact CA-OD2 3.01Å; T53-D129 VanDerWaalsContact CB-OD2 3.3Å; T53-D129 WeakPolarHBondContact CB-OD2 3.22Å; T53-D129 PolarHBondContact OG1-OD2 3.37Å; T53-Y428 HydrophobicContact CG2-CE1 3.75Å
54	Y	89.7	Confident	93.8	Very high	34 Å²	34	16.2 Å²	16.2	13%	0.133	9%	0.085	C	C	.	.	H	α-helix	trans	-62.9	-51	173.6	168.2	-93.9	0	0	0	110.6	G51 K52 S56 K57 K58 H246 V247 A427	G51-Y54 WeakPolarHBondContact O-CA 3.39Å; G51-Y54 VanDerWaalsContact O-CB 3.28Å; G51-Y54 WeakPolarHBondContact O-CB 3.49Å; G51-Y54 PolarHBondContact O-N 3.02Å; K52-Y54 VanDerWaalsContact C-N 3.3Å; K52-Y54 PolarHBondContact O-N 3.37Å; Y54-S56 VanDerWaalsContact C-N 3.33Å; Y54-S56 PolarHBondContact O-N 3.48Å; Y54-K57 PolarHBondContact O-N 3.3Å; Y54-K58 HydrophobicContact CE1-CD 3.93Å; Y54-K58 HydrophobicContact CE2-CD 4.07Å; Y54-K58 HydrophobicContact CE2-CG 4.33Å; Y54-K58 VanDerWaalsContact CZ-CE 3.44Å; Y54-K58 WeakPolarHBondContact O-CB 3.41Å; Y54-K58 PolarHBondContact O-N 3.08Å; Y54-K58 WeakPolarHBondContact OH-CE 3.4Å; Y54-K58 PolarHBondContact OH-NZ 2.97Å; Y54-H246 PolarHBondContact OH-O 3.4Å; Y54-H246 VanDerWaalsContact OH-O 3.09Å; Y54-V247 HydrophobicContact CD1-CG1 4.32Å; Y54-V247 HydrophobicContact CE1-CG1 3.7Å; Y54-A427 VanDerWaalsContact CD2-O 3.28Å; Y54-A427 WeakPolarHBondContact CD2-O 3.33Å
55	I	93.2	Very high	93.7	Very high	10 Å²	10	17 Å²	17	5%	0.051	9%	0.088	C	C	.	.	H	α-helix	trans	-58.4	-47.4	176.7	-66.6	165.6	0	0	0	110.2	M44 G51 K52 K57 K58 L59 V155 I218 L242	M44-I55 HydrophobicContact CE-CB 3.98Å; M44-I55 HydrophobicContact CE-CG2 3.79Å; G51-I55 PolarHBondContact O-N 2.88Å; K52-I55 PolarHBondContact O-N 2.96Å; I55-K57 PolarHBondContact O-N 2.73Å; I55-K58 PolarHBondContact O-N 2.73Å; I55-L59 WeakPolarHBondContact O-CB 3.4Å; I55-L59 PolarHBondContact O-N 2.94Å; I55-V155 HydrophobicContact CG2-CG1 4.21Å; I55-I218 HydrophobicContact CD1-CD1 3.91Å; I55-L242 HydrophobicContact CG2-CD2 3.49Å; I55-L242 VanDerWaalsContact CG2-CD2 3.49Å
56	S	94.7	Very high	93.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-57.7	-46.4	-178.6	-58.8	0	0	0	0	112.1	M44 K52 T53 Y54 T60	M44-S56 VanDerWaalsContact CG-OG 3.24Å; M44-S56 WeakPolarHBondContact CG-OG 3.33Å; K52-S56 WeakPolarHBondContact O-CB 3.45Å; K52-S56 PolarHBondContact O-N 2.92Å; K52-S56 PolarHBondContact O-OG 3.05Å; T53-S56 PolarHBondContact O-N 3.22Å; Y54-S56 VanDerWaalsContact C-N 3.33Å; Y54-S56 PolarHBondContact O-N 3.48Å; S56-T60 VanDerWaalsContact O-CB 3.24Å; S56-T60 WeakPolarHBondContact O-CB 3.3Å; S56-T60 PolarHBondContact O-N 2.63Å; S56-T60 PolarHBondContact O-OG1 2.91Å
57	K	93.1	Very high	93.5	Very high	86 Å²	86	20 Å²	20	37%	0.374	12%	0.116	S	C	.	.	H	α-helix	trans	-70.7	-45.2	179.8	-76	179	174.1	-100.9	0	112.5	T53 Y54 I55 L59 T60 R61 Y428	T53-K57 HydrophobicContact CG2-CD 4.38Å; T53-K57 WeakPolarHBondContact O-CB 3.2Å; T53-K57 WeakPolarHBondContact O-CG 3.31Å; T53-K57 PolarHBondContact O-N 3.49Å; Y54-K57 PolarHBondContact O-N 3.3Å; I55-K57 PolarHBondContact O-N 2.73Å; K57-L59 PolarHBondContact O-N 2.7Å; K57-T60 PolarHBondContact O-N 3.42Å; K57-R61 WeakPolarHBondContact O-CB 3.48Å; K57-R61 PolarHBondContact O-N 3.27Å; K57-Y428 HydrophobicContact CD-CD1 3.62Å; K57-Y428 HydrophobicContact CD-CE1 4.26Å; K57-Y428 HydrophobicContact CD-CG 4.38Å
58	K	93.6	Very high	93.5	Very high	10 Å²	10	20.7 Å²	20.7	4%	0.043	12%	0.121	C	C	.	.	H	α-helix	trans	-59.6	-46.9	176	-89	-154.1	167.9	-171.7	0	111.7	Y54 I55 R61 Y62 Y241 I245 E381	Y54-K58 HydrophobicContact CE1-CD 3.93Å; Y54-K58 HydrophobicContact CE2-CD 4.07Å; Y54-K58 HydrophobicContact CE2-CG 4.33Å; Y54-K58 VanDerWaalsContact CZ-CE 3.44Å; Y54-K58 WeakPolarHBondContact O-CB 3.41Å; Y54-K58 PolarHBondContact O-N 3.08Å; Y54-K58 WeakPolarHBondContact OH-CE 3.4Å; Y54-K58 PolarHBondContact OH-NZ 2.97Å; I55-K58 PolarHBondContact O-N 2.73Å; K58-R61 WeakPolarHBondContact O-CB 3.19Å; K58-R61 PolarHBondContact O-N 3.16Å; K58-Y62 PolarHBondContact O-N 3.35Å; K58-Y241 HydrophobicContact CB-CE1 4.32Å; K58-Y241 PolarHBondContact O-OH 3.02Å; K58-I245 HydrophobicContact CD-CG2 4.45Å; K58-E381 IonicContact NZ-OE1 3.71Å; K58-E381 IonicContact NZ-OE2 2.68Å; K58-E381 PolarHBondContact NZ-OE2 2.82Å
59	L	95.4	Very high	93.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.6	-44.8	179.1	-173.9	64.4	0	0	0	111.6	I42 I55 K57 R61 Y62 L63 I238 Y241	I42-L59 HydrophobicContact CD1-CD2 3.59Å; I55-L59 WeakPolarHBondContact O-CB 3.4Å; I55-L59 PolarHBondContact O-N 2.94Å; K57-L59 PolarHBondContact O-N 2.7Å; L59-R61 VanDerWaalsContact C-N 3.31Å; L59-R61 PolarHBondContact O-N 3.14Å; L59-Y62 HydrophobicContact CD1-CD1 4.35Å; L59-Y62 PolarHBondContact O-N 3.46Å; L59-L63 HydrophobicContact CD1-CD1 4.24Å; L59-L63 HydrophobicContact CD1-CG 4.27Å; L59-L63 HydrophobicContact CG-CD1 3.97Å; L59-L63 HydrophobicContact CG-CG 4.38Å; L59-L63 WeakPolarHBondContact O-CB 3.39Å; L59-L63 VanDerWaalsContact O-CG 3.29Å; L59-L63 WeakPolarHBondContact O-CG 3.08Å; L59-L63 PolarHBondContact O-N 3.25Å; L59-I238 HydrophobicContact CD1-CB 4.38Å; L59-I238 HydrophobicContact CD1-CG1 4.11Å; L59-I238 HydrophobicContact CD1-CG2 3.98Å; L59-I238 HydrophobicContact CD2-CG1 4.5Å; L59-I238 HydrophobicContact CD2-CG2 3.85Å; L59-Y241 HydrophobicContact CB-CE1 4.49Å; L59-Y241 HydrophobicContact CD1-CD1 3.65Å; L59-Y241 HydrophobicContact CD1-CE1 4.22Å; L59-Y241 HydrophobicContact CD1-CG 4.49Å
60	T	96.6	Very high	94.1	Very high	18 Å²	18	22.8 Å²	22.8	11%	0.11	13%	0.134	C	C	.	.	H	α-helix	trans	-58.7	-43.8	175.7	-62.2	0	0	0	0	111.5	S56 K57 N64 T70	S56-T60 VanDerWaalsContact O-CB 3.24Å; S56-T60 WeakPolarHBondContact O-CB 3.3Å; S56-T60 PolarHBondContact O-N 2.63Å; S56-T60 PolarHBondContact O-OG1 2.91Å; K57-T60 PolarHBondContact O-N 3.42Å; T60-N64 WeakPolarHBondContact CG2-ND2 3.31Å; T60-N64 WeakPolarHBondContact O-CB 3.42Å; T60-N64 PolarHBondContact O-N 3.36Å; T60-N64 PolarHBondContact O-ND2 2.98Å; T60-T70 HydrophobicContact CG2-CG2 4.01Å
61	R	95.8	Very high	94.5	Very high	16 Å²	16	27.8 Å²	27.8	6%	0.06	15%	0.153	C	C	.	.	H	α-helix	trans	-63.1	-48	177.5	-178.2	174.2	75.9	-177	-3.2	112.1	K57 K58 L59 W65 E381 Y401 F402 D404	K57-R61 WeakPolarHBondContact O-CB 3.48Å; K57-R61 PolarHBondContact O-N 3.27Å; K58-R61 WeakPolarHBondContact O-CB 3.19Å; K58-R61 PolarHBondContact O-N 3.16Å; L59-R61 VanDerWaalsContact C-N 3.31Å; L59-R61 PolarHBondContact O-N 3.14Å; R61-W65 VanDerWaalsContact O-CB 3.29Å; R61-W65 WeakPolarHBondContact O-CB 3.36Å; R61-W65 PolarHBondContact O-N 3.49Å; R61-E381 IonicContact NH2-OE1 3.49Å; R61-Y401 WeakPolarHBondContact CD-O 3.41Å; R61-Y401 WeakPolarHBondContact CG-O 3.31Å; R61-Y401 PolarHBondContact NE-O 3.26Å; R61-F402 PolarHBondContact NH1-O 3.21Å; R61-D404 HydrophobicContact CG-CB 4.1Å
62	Y	96.3	Very high	94.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59	-51.2	176.7	163.6	-113.7	0	0	0	111.9	K58 L59 N64 W65 I66 Y241 E374 M378 Y401	K58-Y62 PolarHBondContact O-N 3.35Å; L59-Y62 HydrophobicContact CD1-CD1 4.35Å; L59-Y62 PolarHBondContact O-N 3.46Å; Y62-N64 PolarHBondContact O-N 3.37Å; Y62-W65 PolarHBondContact O-N 3.5Å; Y62-W65 VanDerWaalsContact O-N 3.13Å; Y62-I66 HydrophobicContact CD2-CG2 4Å; Y62-I66 HydrophobicContact CE1-CD1 4.19Å; Y62-I66 HydrophobicContact CE2-CD1 4.32Å; Y62-I66 HydrophobicContact CE2-CG2 3.5Å; Y62-I66 PolarHBondContact O-N 3.05Å; Y62-Y241 AromaticContact CD1-CD1 3.99Å; Y62-Y241 HydrophobicContact CD1-CD1 3.99Å; Y62-Y241 AromaticContact CD1-CD2 3.75Å; Y62-Y241 HydrophobicContact CD1-CD2 3.75Å; Y62-Y241 HydrophobicContact CD1-CE1 4.41Å; Y62-Y241 HydrophobicContact CD1-CE2 4.18Å; Y62-Y241 AromaticContact CD1-CG 3.61Å; Y62-Y241 HydrophobicContact CD1-CG 3.61Å; Y62-Y241 AromaticContact CD2-CD2 3.97Å; Y62-Y241 HydrophobicContact CD2-CD2 3.97Å; Y62-Y241 HydrophobicContact CD2-CE2 4.02Å; Y62-Y241 HydrophobicContact CE1-CD2 4.11Å; Y62-Y241 AromaticContact CE1-CG 3.94Å; Y62-Y241 HydrophobicContact CE1-CG 3.94Å; Y62-Y241 HydrophobicContact CE2-CD2 4.34Å; Y62-Y241 HydrophobicContact CG-CD1 4.38Å; Y62-Y241 AromaticContact CG-CD2 3.66Å; Y62-Y241 HydrophobicContact CG-CD2 3.66Å; Y62-Y241 HydrophobicContact CG-CE1 4.41Å; Y62-Y241 AromaticContact CG-CE2 3.68Å; Y62-Y241 HydrophobicContact CG-CE2 3.68Å; Y62-Y241 AromaticContact CG-CG 4Å; Y62-Y241 HydrophobicContact CG-CG 4Å; Y62-E374 HydrophobicContact CE2-CG 4.3Å; Y62-E374 PolarHBondContact OH-OE1 2.94Å; Y62-M378 HydrophobicContact CD2-CE 3.66Å; Y62-M378 HydrophobicContact CE2-CE 3.3Å; Y62-M378 HydrophobicContact CE2-SD 4.41Å; Y62-Y401 HydrophobicContact CD2-CE2 4.45Å
63	L	96.6	Very high	95.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-44.1	-178.2	-70.1	177.2	0	0	0	111.8	I42 L59 W65 I66 G67 V68 T70 V125 I234 I238	I42-L63 HydrophobicContact CD1-CD1 4.5Å; L59-L63 HydrophobicContact CD1-CD1 4.24Å; L59-L63 HydrophobicContact CD1-CG 4.27Å; L59-L63 HydrophobicContact CG-CD1 3.97Å; L59-L63 HydrophobicContact CG-CG 4.38Å; L59-L63 WeakPolarHBondContact O-CB 3.39Å; L59-L63 VanDerWaalsContact O-CG 3.29Å; L59-L63 WeakPolarHBondContact O-CG 3.08Å; L59-L63 PolarHBondContact O-N 3.25Å; L63-W65 VanDerWaalsContact C-N 3.34Å; L63-W65 PolarHBondContact O-N 3.02Å; L63-I66 HydrophobicContact CD2-CD1 4.18Å; L63-I66 WeakPolarHBondContact O-CG1 3.5Å; L63-I66 PolarHBondContact O-N 3.2Å; L63-G67 PolarHBondContact O-N 3.24Å; L63-V68 CarbonylContact C-O 3.53Å; L63-V68 VanDerWaalsContact C-O 3.26Å; L63-V68 HydrophobicContact CB-CB 4.27Å; L63-V68 WeakPolarHBondContact O-CA 3.44Å; L63-V68 WeakPolarHBondContact O-CB 3.47Å; L63-V68 PolarHBondContact O-N 2.95Å; L63-V68 VanDerWaalsContact O-O 3.13Å; L63-T70 HydrophobicContact CB-CG2 4.27Å; L63-T70 WeakPolarHBondContact CB-OG1 3.36Å; L63-T70 HydrophobicContact CD1-CG2 3.95Å; L63-V125 HydrophobicContact CD1-CB 4.31Å; L63-V125 HydrophobicContact CD1-CG1 3.96Å; L63-V125 HydrophobicContact CD1-CG2 4.38Å; L63-I234 HydrophobicContact CD2-CD1 3.79Å; L63-I238 HydrophobicContact CD1-CG1 4.43Å; L63-I238 HydrophobicContact CD2-CG1 4.45Å
64	N	96.3	Very high	95.5	Very high	63 Å²	63	28.6 Å²	28.6	34%	0.337	15%	0.15	S	C	.	.	H	α-helix	trans	-63.2	-40.3	174.6	-78.7	-58.1	0	0	0	112.3	T60 Y62 I66 G67 V68 T70	T60-N64 WeakPolarHBondContact CG2-ND2 3.31Å; T60-N64 WeakPolarHBondContact O-CB 3.42Å; T60-N64 PolarHBondContact O-N 3.36Å; T60-N64 PolarHBondContact O-ND2 2.98Å; Y62-N64 PolarHBondContact O-N 3.37Å; N64-I66 PolarHBondContact O-N 3.48Å; N64-G67 PolarHBondContact O-N 3.47Å; N64-V68 PolarHBondContact N-O 2.91Å; N64-T70 PolarHBondContact ND2-O 2.75Å; N64-T70 PolarHBondContact OD1-N 3.4Å; N64-T70 PolarHBondContact OD1-O 3.19Å
65	W	96.8	Very high	95.8	Very high	17 Å²	17	27.7 Å²	27.7	6%	0.064	15%	0.148	C	C	.	.	H	α-helix	trans	-63	-41.3	-179.7	-176.3	83	0	0	0	112.1	R61 Y62 L63 G67 V370 L373 E374 I377 C397 Y401	R61-W65 VanDerWaalsContact O-CB 3.29Å; R61-W65 WeakPolarHBondContact O-CB 3.36Å; R61-W65 PolarHBondContact O-N 3.49Å; Y62-W65 PolarHBondContact O-N 3.5Å; Y62-W65 VanDerWaalsContact O-N 3.13Å; L63-W65 VanDerWaalsContact C-N 3.34Å; L63-W65 PolarHBondContact O-N 3.02Å; W65-G67 PolarHBondContact O-N 2.89Å; W65-V370 HydrophobicContact CD2-CG1 4.09Å; W65-V370 HydrophobicContact CE3-CG1 4.06Å; W65-V370 HydrophobicContact CH2-CG1 4.13Å; W65-V370 VanDerWaalsContact CH2-O 3.27Å; W65-V370 WeakPolarHBondContact CH2-O 3.37Å; W65-V370 HydrophobicContact CZ2-CB 4.38Å; W65-V370 HydrophobicContact CZ2-CG1 4.18Å; W65-V370 HydrophobicContact CZ2-CG2 4.16Å; W65-V370 HydrophobicContact CZ3-CG1 4.06Å; W65-V370 WeakPolarHBondContact O-CG1 3.3Å; W65-L373 HydrophobicContact CH2-CB 3.85Å; W65-L373 HydrophobicContact CZ2-CB 4.31Å; W65-E374 HydrophobicContact CZ3-CB 4.29Å; W65-I377 HydrophobicContact CE3-CG1 4.38Å; W65-I377 HydrophobicContact CH2-CD1 4.45Å; W65-I377 HydrophobicContact CH2-CG1 3.5Å; W65-I377 VanDerWaalsContact CH2-CG1 3.5Å; W65-I377 HydrophobicContact CZ2-CD1 4.45Å; W65-I377 HydrophobicContact CZ2-CG1 3.94Å; W65-I377 HydrophobicContact CZ3-CB 4.39Å; W65-I377 HydrophobicContact CZ3-CG1 3.75Å; W65-C397 HydrophobicContact CZ2-CB 4.4Å; W65-C397 PolarHBondContact NE1-O 3.02Å; W65-Y401 HydrophobicContact CB-CD2 4.04Å; W65-Y401 HydrophobicContact CD2-CD2 4.02Å; W65-Y401 HydrophobicContact CD2-CG 4.48Å; W65-Y401 HydrophobicContact CE3-CD2 4.32Å; W65-Y401 AromaticContact CG-CD2 3.89Å; W65-Y401 HydrophobicContact CG-CD2 3.89Å; W65-Y401 HydrophobicContact CG-CG 4.44Å
66	I	95.3	Very high	95.7	Very high	10 Å²	10	28.1 Å²	28.1	5%	0.051	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	2.5	174.6	65.5	167.3	0	0	0	114	Y62 L63 N64 V68 Q371 E374	Y62-I66 HydrophobicContact CD2-CG2 4Å; Y62-I66 HydrophobicContact CE1-CD1 4.19Å; Y62-I66 HydrophobicContact CE2-CD1 4.32Å; Y62-I66 HydrophobicContact CE2-CG2 3.5Å; Y62-I66 PolarHBondContact O-N 3.05Å; L63-I66 HydrophobicContact CD2-CD1 4.18Å; L63-I66 WeakPolarHBondContact O-CG1 3.5Å; L63-I66 PolarHBondContact O-N 3.2Å; N64-I66 PolarHBondContact O-N 3.48Å; I66-V68 HydrophobicContact CD1-CG2 4.06Å; I66-V68 HydrophobicContact CG1-CG2 4.09Å; I66-Q371 PolarHBondContact O-NE2 3.03Å; I66-Q371 VanDerWaalsContact O-NE2 3.09Å; I66-E374 HydrophobicContact CG2-CG 4.3Å
67	G	93.7	Very high	95.7	Very high	52 Å²	52	31.8 Å²	31.8	54%	0.536	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	21.1	176.9	0	0	0	0	0	115.2	L63 N64 W65 P69	L63-G67 PolarHBondContact O-N 3.24Å; N64-G67 PolarHBondContact O-N 3.47Å; W65-G67 PolarHBondContact O-N 2.89Å; G67-P69 WeakPolarHBondContact O-CD 3.25Å
68	V	95.3	Very high	95.8	Very high	31 Å²	31	30 Å²	30	19%	0.188	16%	0.164	C	C	.	.			trans	-101.4	104	172.5	-178.5	0	0	0	0	109.7	L63 N64 I66 T70 H124 V125 I234	L63-V68 CarbonylContact C-O 3.53Å; L63-V68 VanDerWaalsContact C-O 3.26Å; L63-V68 HydrophobicContact CB-CB 4.27Å; L63-V68 WeakPolarHBondContact O-CA 3.44Å; L63-V68 WeakPolarHBondContact O-CB 3.47Å; L63-V68 PolarHBondContact O-N 2.95Å; L63-V68 VanDerWaalsContact O-O 3.13Å; N64-V68 PolarHBondContact N-O 2.91Å; I66-V68 HydrophobicContact CD1-CG2 4.06Å; I66-V68 HydrophobicContact CG1-CG2 4.09Å; V68-T70 PolarHBondContact O-N 3.41Å; V68-T70 PolarHBondContact O-OG1 3.24Å; V68-H124 HydrophobicContact CG1-CB 3.99Å; V68-V125 HydrophobicContact CG1-CG2 3.75Å; V68-I234 HydrophobicContact CG1-CD1 4.22Å; V68-I234 HydrophobicContact CG2-CD1 4.12Å
69	P	96.2	Very high	95.9	Very high	50 Å²	50	30.1 Å²	30.1	33%	0.325	16%	0.164	S	C	.	.			trans	-54.2	109.3	179.8	-27.3	34	0	0	0	112.4	G67 H124 V125	G67-P69 WeakPolarHBondContact O-CD 3.25Å; P69-H124 WeakPolarHBondContact CD-ND1 2.82Å; P69-H124 PolarHBondContact O-N 3.21Å; P69-V125 PolarHBondContact O-N 3.35Å; P69-V125 VanDerWaalsContact O-N 3.11Å
70	T	97.6	Very high	95.7	Very high	9 Å²	9	32.4 Å²	32.4	6%	0.055	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	139.4	-172.1	-55.6	0	0	0	0	111.6	T60 L63 N64 V68 V125 V127	T60-T70 HydrophobicContact CG2-CG2 4.01Å; L63-T70 HydrophobicContact CB-CG2 4.27Å; L63-T70 WeakPolarHBondContact CB-OG1 3.36Å; L63-T70 HydrophobicContact CD1-CG2 3.95Å; N64-T70 PolarHBondContact ND2-O 2.75Å; N64-T70 PolarHBondContact OD1-N 3.4Å; N64-T70 PolarHBondContact OD1-O 3.19Å; V68-T70 PolarHBondContact O-N 3.41Å; V68-T70 PolarHBondContact O-OG1 3.24Å; T70-V125 WeakPolarHBondContact CA-O 3.39Å; T70-V125 HydrophobicContact CG2-CB 3.91Å; T70-V125 HydrophobicContact CG2-CG1 3.97Å; T70-V125 WeakPolarHBondContact CG2-O 3.29Å; T70-V127 HydrophobicContact CG2-CG2 3.97Å
71	R	97.8	Very high	95.5	Very high	120 Å²	120	36.7 Å²	36.7	45%	0.453	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137	177.5	-172.1	173.1	-179.7	178.2	-0	112.3	F73 F117 E121 V125 V127	R71-F73 HydrophobicContact CB-CE2 3.86Å; R71-F73 HydrophobicContact CB-CZ 4.18Å; R71-F73 HydrophobicContact CG-CE2 3.97Å; R71-F73 HydrophobicContact CG-CZ 4Å; R71-F73 WeakPolarHBondContact O-CD2 3.3Å; R71-F73 WeakPolarHBondContact O-CE2 3.44Å; R71-F117 HydrophobicContact CB-CD1 4.01Å; R71-F117 HydrophobicContact CB-CD2 4.32Å; R71-F117 HydrophobicContact CB-CE1 3.61Å; R71-F117 HydrophobicContact CB-CE2 3.94Å; R71-F117 HydrophobicContact CB-CG 4.35Å; R71-F117 HydrophobicContact CB-CZ 3.57Å; R71-E121 IonicContact NH1-OE2 2.99Å; R71-V125 PolarHBondContact N-O 3.48Å; R71-V125 VanDerWaalsContact N-O 3.09Å; R71-V127 PolarHBondContact O-N 3.03Å
72	E	97	Very high	95.3	Very high	43 Å²	43	41 Å²	41	20%	0.201	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	136	171.9	-172.9	-145.2	165.9	0	0	111.1	N74 V127 D129	E72-N74 VanDerWaalsContact OE1-CB 3.29Å; E72-N74 WeakPolarHBondContact OE1-CB 3.3Å; E72-N74 PolarHBondContact OE1-ND2 3.18Å; E72-V127 CarbonylContact C-O 3.57Å; E72-V127 WeakPolarHBondContact CA-O 3.48Å; E72-D129 HydrophobicContact CG-CB 4.35Å
73	F	98	Very high	94.9	Very high	3 Å²	3	43.3 Å²	43.3	1%	0.013	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	88.2	174.1	-62.6	-95.2	0	0	0	109.5	R71 V75 D113 V114 F117 A126 V127 F128 D129	R71-F73 HydrophobicContact CB-CE2 3.86Å; R71-F73 HydrophobicContact CB-CZ 4.18Å; R71-F73 HydrophobicContact CG-CE2 3.97Å; R71-F73 HydrophobicContact CG-CZ 4Å; R71-F73 WeakPolarHBondContact O-CD2 3.3Å; R71-F73 WeakPolarHBondContact O-CE2 3.44Å; F73-V75 PolarHBondContact O-N 3.39Å; F73-D113 HydrophobicContact CD1-CB 4.07Å; F73-D113 VanDerWaalsContact CE1-C 3.48Å; F73-D113 HydrophobicContact CE1-CB 3.78Å; F73-V114 HydrophobicContact CB-CG2 4.11Å; F73-V114 HydrophobicContact CD1-CG2 3.86Å; F73-V114 HydrophobicContact CD2-CG2 3.57Å; F73-V114 HydrophobicContact CE1-CG2 4.17Å; F73-V114 HydrophobicContact CE2-CG2 3.89Å; F73-V114 HydrophobicContact CG-CG2 3.56Å; F73-V114 HydrophobicContact CZ-CG2 4.19Å; F73-F117 HydrophobicContact CE2-CB 4.47Å; F73-F117 AromaticContact CE2-CD1 3.97Å; F73-F117 HydrophobicContact CE2-CD1 3.97Å; F73-F117 HydrophobicContact CE2-CG 4.41Å; F73-F117 HydrophobicContact CZ-CB 3.65Å; F73-F117 AromaticContact CZ-CD1 3.94Å; F73-F117 HydrophobicContact CZ-CD1 3.94Å; F73-F117 AromaticContact CZ-CG 3.91Å; F73-F117 HydrophobicContact CZ-CG 3.91Å; F73-A126 HydrophobicContact CD2-CB 4.01Å; F73-A126 HydrophobicContact CE2-CB 3.68Å; F73-V127 PolarHBondContact N-O 3.27Å; F73-F128 HydrophobicContact CB-CD2 4.4Å; F73-D129 PolarHBondContact O-N 2.98Å; F73-D129 VanDerWaalsContact O-N 3.09Å
74	N	95.7	Very high	94.1	Very high	29 Å²	29	52 Å²	52	16%	0.155	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	103.1	-178.3	-162.2	-76.6	0	0	0	112.1	E72 G76 Q77 Y78 D129	E72-N74 VanDerWaalsContact OE1-CB 3.29Å; E72-N74 WeakPolarHBondContact OE1-CB 3.3Å; E72-N74 PolarHBondContact OE1-ND2 3.18Å; N74-G76 PolarHBondContact O-N 3.04Å; N74-G76 VanDerWaalsContact O-N 3.1Å; N74-G76 VanDerWaalsContact OD1-CA 3.3Å; N74-G76 WeakPolarHBondContact OD1-CA 3.49Å; N74-G76 PolarHBondContact OD1-N 3.32Å; N74-G76 VanDerWaalsContact OD1-N 3.08Å; N74-Q77 HydrophobicContact CB-CB 4.15Å; N74-Q77 WeakPolarHBondContact O-CB 3.45Å; N74-Q77 PolarHBondContact O-N 3.48Å; N74-Q77 PolarHBondContact OD1-N 3.42Å; N74-Y78 VanDerWaalsContact O-CD2 3.25Å; N74-Y78 WeakPolarHBondContact O-CD2 3.17Å; N74-Y78 PolarHBondContact O-N 3.33Å; N74-D129 PolarHBondContact ND2-OD2 2.98Å
75	V	96.1	Very high	93.4	Very high	14 Å²	14	54 Å²	54	9%	0.085	28%	0.283	C	S	.	.	H	α-helix	trans	-60.2	-28	-179	-178.4	0	0	0	0	112	F73 Q77 Y78 R79 C106 A107 A110 F128 D129 A130	F73-V75 PolarHBondContact O-N 3.39Å; V75-Q77 VanDerWaalsContact C-N 3.28Å; V75-Q77 PolarHBondContact O-N 2.94Å; V75-Y78 PolarHBondContact O-N 2.88Å; V75-R79 PolarHBondContact O-N 3.46Å; V75-C106 HydrophobicContact CG1-CB 4.15Å; V75-A107 HydrophobicContact CG1-CB 4.33Å; V75-A110 HydrophobicContact CG2-CB 4.1Å; V75-F128 HydrophobicContact CG2-CD2 4.47Å; V75-F128 HydrophobicContact CG2-CE1 3.82Å; V75-F128 HydrophobicContact CG2-CE2 3.8Å; V75-F128 HydrophobicContact CG2-CZ 3.42Å; V75-F128 VanDerWaalsContact CG2-CZ 3.42Å; V75-D129 PolarHBondContact N-O 3Å; V75-A130 HydrophobicContact CB-CB 3.88Å; V75-A130 HydrophobicContact CG2-CB 3.7Å
76	G	92.8	Very high	92.9	Very high	20 Å²	20	54.2 Å²	54.2	21%	0.206	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-35.5	172.5	0	0	0	0	0	113.3	N74 R79 R80	N74-G76 PolarHBondContact O-N 3.04Å; N74-G76 VanDerWaalsContact O-N 3.1Å; N74-G76 VanDerWaalsContact OD1-CA 3.3Å; N74-G76 WeakPolarHBondContact OD1-CA 3.49Å; N74-G76 PolarHBondContact OD1-N 3.32Å; N74-G76 VanDerWaalsContact OD1-N 3.08Å; G76-R79 PolarHBondContact O-N 3.31Å; G76-R80 WeakPolarHBondContact O-CG 3.42Å; G76-R80 PolarHBondContact O-N 3.1Å
77	Q	92.9	Very high	92.4	Very high	77 Å²	77	61.8 Å²	61.8	36%	0.36	32%	0.316	S	S	.	.	H	α-helix	trans	-70.2	-41.9	176.2	-170.2	59.9	38.8	0	0	112	N74 V75 R79 R80 N81	N74-Q77 HydrophobicContact CB-CB 4.15Å; N74-Q77 WeakPolarHBondContact O-CB 3.45Å; N74-Q77 PolarHBondContact O-N 3.48Å; N74-Q77 PolarHBondContact OD1-N 3.42Å; V75-Q77 VanDerWaalsContact C-N 3.28Å; V75-Q77 PolarHBondContact O-N 2.94Å; Q77-R79 VanDerWaalsContact C-N 3.28Å; Q77-R79 PolarHBondContact O-N 2.87Å; Q77-R80 PolarHBondContact O-N 3.3Å; Q77-R80 VanDerWaalsContact OE1-NE 3.15Å; Q77-N81 PolarHBondContact NE2-OD1 3.28Å; Q77-N81 VanDerWaalsContact O-CG 3.23Å; Q77-N81 PolarHBondContact O-N 2.98Å; Q77-N81 PolarHBondContact O-OD1 3.31Å
78	Y	96.4	Very high	92.2	Very high	49 Å²	49	60.2 Å²	60.2	19%	0.192	30%	0.297	C	S	.	.	H	α-helix	trans	-58.7	-43.3	174	-69.6	-97.3	0	0	0	110.9	N74 V75 N81 M82 A109 A110 D113	N74-Y78 VanDerWaalsContact O-CD2 3.25Å; N74-Y78 WeakPolarHBondContact O-CD2 3.17Å; N74-Y78 PolarHBondContact O-N 3.33Å; V75-Y78 PolarHBondContact O-N 2.88Å; Y78-N81 PolarHBondContact O-N 3.03Å; Y78-M82 WeakPolarHBondContact O-CB 3.45Å; Y78-M82 PolarHBondContact O-N 3.5Å; Y78-A109 HydrophobicContact CD1-CB 4.1Å; Y78-A110 HydrophobicContact CD1-CB 4.42Å; Y78-A110 HydrophobicContact CD2-CB 3.82Å; Y78-A110 HydrophobicContact CE1-CB 4.25Å; Y78-A110 HydrophobicContact CE2-CB 3.65Å; Y78-A110 HydrophobicContact CG-CB 4.22Å; Y78-D113 VanDerWaalsContact CE1-OD2 3.31Å; Y78-D113 WeakPolarHBondContact CE1-OD2 3.42Å; Y78-D113 PolarHBondContact OH-OD2 3.14Å
79	R	95.1	Very high	92	Very high	11 Å²	11	60.3 Å²	60.3	4%	0.042	30%	0.295	C	S	.	.	H	α-helix	trans	-61.5	-45.3	175.4	-177.1	-87.4	-58.4	177.4	5.7	112.4	V75 G76 Q77 N81 M82 V83 F91 C106 D178	V75-R79 PolarHBondContact O-N 3.46Å; G76-R79 PolarHBondContact O-N 3.31Å; Q77-R79 VanDerWaalsContact C-N 3.28Å; Q77-R79 PolarHBondContact O-N 2.87Å; R79-N81 VanDerWaalsContact C-N 3.33Å; R79-N81 PolarHBondContact O-N 3.3Å; R79-M82 PolarHBondContact O-N 3.2Å; R79-V83 HydrophobicContact CG-CG2 4.19Å; R79-V83 WeakPolarHBondContact O-CG2 3.39Å; R79-V83 PolarHBondContact O-N 3.08Å; R79-F91 HydrophobicContact CG-CE1 3.87Å; R79-F91 HydrophobicContact CG-CZ 4.04Å; R79-C106 VanDerWaalsContact CA-SG 3.51Å; R79-D178 IonicContact CZ-OD1 3.48Å; R79-D178 VanDerWaalsContact CZ-OD1 3.29Å; R79-D178 IonicContact CZ-OD2 3.53Å; R79-D178 IonicContact NH1-OD1 2.66Å; R79-D178 PolarHBondContact NH1-OD1 3Å; R79-D178 IonicContact NH1-OD2 2.79Å; R79-D178 VanDerWaalsContact NH2-CG 3.29Å; R79-D178 IonicContact NH2-OD1 3.28Å; R79-D178 PolarHBondContact NH2-OD1 2.87Å; R79-D178 VanDerWaalsContact NH2-OD1 3.08Å; R79-D178 IonicContact NH2-OD2 3.51Å; R79-D178 PolarHBondContact NH2-OD2 3.41Å
80	R	92	Very high	91.8	Very high	49 Å²	49	63.2 Å²	63.2	19%	0.185	30%	0.304	C	S	.	.	H	α-helix	trans	-60.8	-42.3	177.4	-77.3	-174.1	-68.1	-89.2	-0.7	112	G76 Q77 M82 K84 D178	G76-R80 WeakPolarHBondContact O-CG 3.42Å; G76-R80 PolarHBondContact O-N 3.1Å; Q77-R80 PolarHBondContact O-N 3.3Å; Q77-R80 VanDerWaalsContact OE1-NE 3.15Å; R80-M82 VanDerWaalsContact C-N 3.28Å; R80-M82 PolarHBondContact O-N 3.39Å; R80-K84 WeakPolarHBondContact O-CA 3Å; R80-K84 PolarHBondContact O-N 3.36Å; R80-D178 WeakPolarHBondContact CG-OD1 3.48Å; R80-D178 IonicContact NH1-OD2 2.68Å
81	N	92.3	Very high	91.6	Very high	108 Å²	108	64.2 Å²	64.2	58%	0.578	31%	0.308	S	S	*	.	H	α-helix	trans	-64	-34.5	177.4	-66.3	-4.8	0	0	0	112.2	Q77 Y78 R79	Q77-N81 PolarHBondContact NE2-OD1 3.28Å; Q77-N81 VanDerWaalsContact O-CG 3.23Å; Q77-N81 PolarHBondContact O-N 2.98Å; Q77-N81 PolarHBondContact O-OD1 3.31Å; Y78-N81 PolarHBondContact O-N 3.03Å; R79-N81 VanDerWaalsContact C-N 3.33Å; R79-N81 PolarHBondContact O-N 3.3Å
82	M	91	Very high	91.3	Very high	105 Å²	105	58.8 Å²	58.8	52%	0.517	29%	0.287	S	S	.	.	H	α-helix	trans	-81.4	-45.9	-177.2	-164.7	168.6	-150.2	0	0	113.4	Y78 R79 R80 I102	Y78-M82 WeakPolarHBondContact O-CB 3.45Å; Y78-M82 PolarHBondContact O-N 3.5Å; R79-M82 PolarHBondContact O-N 3.2Å; R80-M82 VanDerWaalsContact C-N 3.28Å; R80-M82 PolarHBondContact O-N 3.39Å; M82-I102 HydrophobicContact SD-CG2 4.16Å
83	V	87.6	Confident	91	Very high	49 Å²	49	59.2 Å²	59.2	30%	0.297	29%	0.291	S	S	.	.	H	α-helix	trans	-86.7	-18.5	-174.4	-173.9	0	0	0	0	112.1	R79 T85 F91 I102	R79-V83 HydrophobicContact CG-CG2 4.19Å; R79-V83 WeakPolarHBondContact O-CG2 3.39Å; R79-V83 PolarHBondContact O-N 3.08Å; V83-T85 PolarHBondContact O-N 3.34Å; V83-F91 HydrophobicContact CG2-CE2 4.12Å; V83-F91 HydrophobicContact CG2-CZ 4.11Å; V83-I102 HydrophobicContact CG2-CD1 4.48Å; V83-I102 HydrophobicContact CG2-CG2 3.73Å
84	K	80.1	Confident	90.4	Very high	184 Å²	184	62.6 Å²	62.6	80%	0.8	31%	0.313	S	S	*	.			trans	61.1	-47.7	-176.9	-61	-174	178.3	-178.5	0	115.6	R80	R80-K84 WeakPolarHBondContact O-CA 3Å; R80-K84 PolarHBondContact O-N 3.36Å
85	T	81.9	Confident	90	Very high	103 Å²	103	67.4 Å²	67.4	63%	0.632	34%	0.339	S	S	*	.	S	Bend	trans	-125.6	122.5	-176.4	-50.4	0	0	0	0	110.4	V83	V83-T85 PolarHBondContact O-N 3.34Å
86	Y	86.1	Confident	89.8	Confident	23 Å²	23	68.9 Å²	68.9	9%	0.09	35%	0.346	C	S	.	.			trans	-82.8	131.4	172.4	178.6	-109.1	0	0	0	110.2	S88 F89 F92 D178 Y179 D190	Y86-S88 VanDerWaalsContact CE2-O 3.22Å; Y86-S88 WeakPolarHBondContact CE2-O 3.44Å; Y86-S88 VanDerWaalsContact CZ-C 3.45Å; Y86-S88 PolarHBondContact OH-O 3.2Å; Y86-F89 WeakPolarHBondContact OH-CA 3.31Å; Y86-F89 PolarHBondContact OH-N 3.38Å; Y86-F89 VanDerWaalsContact OH-N 3.11Å; Y86-F92 HydrophobicContact CD2-CE2 4.36Å; Y86-F92 HydrophobicContact CE2-CD2 4.19Å; Y86-F92 AromaticContact CE2-CE2 3.42Å; Y86-F92 HydrophobicContact CE2-CE2 3.42Å; Y86-F92 VanDerWaalsContact CE2-CE2 3.42Å; Y86-F92 HydrophobicContact CE2-CZ 4.21Å; Y86-F92 AromaticContact CZ-CE2 3.97Å; Y86-D178 HydrophobicContact CD1-CB 3.89Å; Y86-D178 WeakPolarHBondContact CD1-O 3.16Å; Y86-D178 HydrophobicContact CE1-CB 4.49Å; Y86-D178 HydrophobicContact CG-CB 4.07Å; Y86-Y179 HydrophobicContact CD1-CE1 4.46Å; Y86-Y179 AromaticContact CE1-CE1 3.77Å; Y86-Y179 HydrophobicContact CE1-CE1 3.77Å; Y86-Y179 AromaticContact CE1-CZ 3.79Å; Y86-Y179 PolarHBondContact OH-OH 2.93Å; Y86-D190 VanDerWaalsContact CE1-OD2 3.31Å; Y86-D190 WeakPolarHBondContact CE1-OD2 3.43Å; Y86-D190 PolarHBondContact OH-OD2 3.38Å
87	K	84.9	Confident	89.8	Confident	168 Å²	168	75.8 Å²	75.8	73%	0.73	37%	0.373	S	S	*	.			trans	-104.3	-52	-179.3	-70.7	-170.4	179.4	-177.7	0	113.4	R182	K87-R182 PolarHBondContact O-NH1 2.9Å; K87-R182 PolarHBondContact O-NH2 3.16Å
88	S	90.4	Very high	89.7	Confident	19 Å²	19	78.9 Å²	78.9	13%	0.133	39%	0.388	C	S	.	.			trans	-167.4	168.6	-174.5	57.3	0	0	0	0	110.3	Y86 E90 F91 D190	Y86-S88 VanDerWaalsContact CE2-O 3.22Å; Y86-S88 WeakPolarHBondContact CE2-O 3.44Å; Y86-S88 VanDerWaalsContact CZ-C 3.45Å; Y86-S88 PolarHBondContact OH-O 3.2Å; S88-E90 PolarHBondContact O-N 3.13Å; S88-E90 VanDerWaalsContact O-N 3.09Å; S88-E90 WeakPolarHBondContact OG-CB 3.32Å; S88-E90 WeakPolarHBondContact OG-CG 3.36Å; S88-E90 PolarHBondContact OG-OE2 3.41Å; S88-F91 PolarHBondContact O-N 3.16Å; S88-D190 VanDerWaalsContact CA-OD1 3.26Å; S88-D190 WeakPolarHBondContact CA-OD1 3.45Å
89	F	91.3	Very high	89.5	Confident	34 Å²	34	76.6 Å²	76.6	15%	0.149	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-56	-21.2	172.6	73.5	-86.6	0	0	0	113	Y86 F91 F92 L93 D190 R193 R194	Y86-F89 WeakPolarHBondContact OH-CA 3.31Å; Y86-F89 PolarHBondContact OH-N 3.38Å; Y86-F89 VanDerWaalsContact OH-N 3.11Å; F89-F91 PolarHBondContact O-N 3.19Å; F89-F91 VanDerWaalsContact O-N 3.09Å; F89-F92 WeakPolarHBondContact O-CA 3.34Å; F89-F92 WeakPolarHBondContact O-CB 3.24Å; F89-F92 PolarHBondContact O-N 2.99Å; F89-L93 HydrophobicContact CE2-CD2 4.4Å; F89-D190 PolarHBondContact N-OD1 3.06Å; F89-R193 HydrophobicContact CB-CB 4.15Å; F89-R193 HydrophobicContact CD1-CB 3.81Å; F89-R193 HydrophobicContact CD1-CG 4.48Å; F89-R193 HydrophobicContact CD2-CB 3.7Å; F89-R193 HydrophobicContact CE1-CB 4.16Å; F89-R193 HydrophobicContact CE1-CG 4.43Å; F89-R193 HydrophobicContact CE2-CB 4.04Å; F89-R193 HydrophobicContact CG-CB 3.59Å; F89-R193 HydrophobicContact CZ-CB 4.27Å; F89-R194 HydrophobicContact CB-CB 3.91Å
90	E	92	Very high	89.3	Confident	110 Å²	110	80 Å²	80	51%	0.514	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-57	-26.6	178.3	-60.6	169.7	146.8	0	0	112.6	S88 F92 L93 N96	S88-E90 PolarHBondContact O-N 3.13Å; S88-E90 VanDerWaalsContact O-N 3.09Å; S88-E90 WeakPolarHBondContact OG-CB 3.32Å; S88-E90 WeakPolarHBondContact OG-CG 3.36Å; S88-E90 PolarHBondContact OG-OE2 3.41Å; E90-F92 PolarHBondContact O-N 3.33Å; E90-L93 HydrophobicContact CB-CD1 3.98Å; E90-L93 HydrophobicContact CG-CD1 4.18Å; E90-L93 PolarHBondContact O-N 3.2Å; E90-N96 PolarHBondContact O-ND2 2.93Å
91	F	92.3	Very high	89.4	Confident	30 Å²	30	84.4 Å²	84.4	13%	0.132	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-59.6	-26.4	171.7	-179.7	-96.3	0	0	0	113.1	R79 V83 S88 F89 N96 I102 R103	R79-F91 HydrophobicContact CG-CE1 3.87Å; R79-F91 HydrophobicContact CG-CZ 4.04Å; V83-F91 HydrophobicContact CG2-CE2 4.12Å; V83-F91 HydrophobicContact CG2-CZ 4.11Å; S88-F91 PolarHBondContact O-N 3.16Å; F89-F91 PolarHBondContact O-N 3.19Å; F89-F91 VanDerWaalsContact O-N 3.09Å; F91-N96 WeakPolarHBondContact CA-ND2 3.17Å; F91-I102 HydrophobicContact CE2-CB 4.43Å; F91-I102 HydrophobicContact CE2-CD1 4.2Å; F91-I102 HydrophobicContact CE2-CG2 4.41Å; F91-I102 HydrophobicContact CZ-CB 4.19Å; F91-I102 HydrophobicContact CZ-CG2 3.96Å; F91-R103 HydrophobicContact CE1-CG 3.76Å; F91-R103 HydrophobicContact CZ-CG 4.12Å
92	F	92.1	Very high	89.5	Confident	6 Å²	6	80.6 Å²	80.6	3%	0.026	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-98.6	-4.6	-176.6	-61.1	-68.5	0	0	0	114	Y86 F89 E90 R103 R194 C197 Y198	Y86-F92 HydrophobicContact CD2-CE2 4.36Å; Y86-F92 HydrophobicContact CE2-CD2 4.19Å; Y86-F92 AromaticContact CE2-CE2 3.42Å; Y86-F92 HydrophobicContact CE2-CE2 3.42Å; Y86-F92 VanDerWaalsContact CE2-CE2 3.42Å; Y86-F92 HydrophobicContact CE2-CZ 4.21Å; Y86-F92 AromaticContact CZ-CE2 3.97Å; F89-F92 WeakPolarHBondContact O-CA 3.34Å; F89-F92 WeakPolarHBondContact O-CB 3.24Å; F89-F92 PolarHBondContact O-N 2.99Å; E90-F92 PolarHBondContact O-N 3.33Å; F92-R103 PolarHBondContact O-NH2 3.44Å; F92-R194 HydrophobicContact CD2-CB 4.41Å; F92-R194 HydrophobicContact CD2-CG 3.61Å; F92-R194 VanDerWaalsContact CE2-CD 3.47Å; F92-R194 HydrophobicContact CE2-CG 4.02Å; F92-R194 HydrophobicContact CG-CG 4.15Å; F92-R194 VanDerWaalsContact CZ-NH2 3.26Å; F92-C197 HydrophobicContact CB-CB 4.27Å; F92-Y198 HydrophobicContact CB-CE2 4.18Å; F92-Y198 HydrophobicContact CD1-CE2 4.19Å; F92-Y198 AromaticContact CD1-CZ 3.97Å; F92-Y198 WeakPolarHBondContact CD1-OH 3.39Å; F92-Y198 WeakPolarHBondContact CE1-OH 3.26Å; F92-Y198 HydrophobicContact CG-CE2 4.26Å
93	L	90.2	Very high	89.6	Confident	52 Å²	52	77.3 Å²	77.3	27%	0.272	38%	0.38	S	S	.	.			trans	-57.6	143.7	178	-71.4	166.1	0	0	0	111	F89 E90 D95 N96	F89-L93 HydrophobicContact CE2-CD2 4.4Å; E90-L93 HydrophobicContact CB-CD1 3.98Å; E90-L93 HydrophobicContact CG-CD1 4.18Å; E90-L93 PolarHBondContact O-N 3.2Å; L93-D95 VanDerWaalsContact C-N 3.29Å; L93-D95 WeakPolarHBondContact CB-OD1 3.36Å; L93-D95 PolarHBondContact O-N 3.39Å; L93-N96 HydrophobicContact CB-CB 4.29Å; L93-N96 WeakPolarHBondContact O-CB 3.38Å; L93-N96 PolarHBondContact O-N 3.01Å
94	P	85	Confident	89.9	Confident	75 Å²	75	80.4 Å²	80.4	49%	0.487	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-32.1	-179.4	-22.3	33.3	0	0	0	114	N96	P94-N96 VanDerWaalsContact C-N 3.33Å
95	D	88.3	Confident	90.6	Very high	129 Å²	129	75.6 Å²	75.6	69%	0.69	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.6	179.6	62.1	-16.2	0	0	0	113.4	L93 E97	L93-D95 VanDerWaalsContact C-N 3.29Å; L93-D95 WeakPolarHBondContact CB-OD1 3.36Å; L93-D95 PolarHBondContact O-N 3.39Å; D95-E97 PolarHBondContact O-N 3.18Å
96	N	91.3	Very high	91.3	Very high	45 Å²	45	70.9 Å²	70.9	24%	0.241	34%	0.34	C	S	.	.			trans	-76.3	87.7	173.6	-172.4	-16.2	0	0	0	111.1	E90 F91 L93 P94 E98 G99 L100	E90-N96 PolarHBondContact O-ND2 2.93Å; F91-N96 WeakPolarHBondContact CA-ND2 3.17Å; L93-N96 HydrophobicContact CB-CB 4.29Å; L93-N96 WeakPolarHBondContact O-CB 3.38Å; L93-N96 PolarHBondContact O-N 3.01Å; P94-N96 VanDerWaalsContact C-N 3.33Å; N96-E98 VanDerWaalsContact C-N 3.33Å; N96-E98 PolarHBondContact O-N 2.91Å; N96-E98 PolarHBondContact OD1-N 3.1Å; N96-G99 PolarHBondContact O-N 2.72Å; N96-G99 PolarHBondContact OD1-N 3.07Å; N96-L100 WeakPolarHBondContact O-CB 3.46Å; N96-L100 PolarHBondContact O-N 3.18Å
97	E	92.1	Very high	91.8	Very high	165 Å²	165	70 Å²	70	77%	0.771	34%	0.338	S	S	*	.	H	α-helix	trans	-57.3	-41.5	-179.5	-68.5	-168.9	168.5	0	0	113.2	D95 L100 K101	D95-E97 PolarHBondContact O-N 3.18Å; E97-L100 PolarHBondContact O-N 3.01Å; E97-K101 WeakPolarHBondContact O-CB 3.46Å; E97-K101 PolarHBondContact O-N 3.39Å
98	E	92.4	Very high	92.3	Very high	142 Å²	142	65.8 Å²	65.8	66%	0.664	32%	0.323	S	S	*	.	H	α-helix	trans	-65.3	-47.4	178.6	-173.4	179.7	-175.8	0	0	110.7	N96 L100 K101 I102	N96-E98 VanDerWaalsContact C-N 3.33Å; N96-E98 PolarHBondContact O-N 2.91Å; N96-E98 PolarHBondContact OD1-N 3.1Å; E98-L100 VanDerWaalsContact C-N 3.33Å; E98-L100 PolarHBondContact O-N 2.88Å; E98-K101 PolarHBondContact O-N 2.66Å; E98-I102 HydrophobicContact CG-CD1 3.97Å; E98-I102 WeakPolarHBondContact O-CG1 3.35Å; E98-I102 PolarHBondContact O-N 3.35Å
99	G	91.3	Very high	92.7	Very high	1 Å²	1	66 Å²	66	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-60.5	-40.9	175.9	0	0	0	0	0	112.3	N96 R103	N96-G99 PolarHBondContact O-N 2.72Å; N96-G99 PolarHBondContact OD1-N 3.07Å; G99-R103 WeakPolarHBondContact O-CB 3.34Å; G99-R103 WeakPolarHBondContact O-CG 3.38Å; G99-R103 PolarHBondContact O-N 3.17Å; G99-R103 PolarHBondContact O-NE 2.89Å
100	L	90.7	Very high	93	Very high	84 Å²	84	64.3 Å²	64.3	44%	0.44	32%	0.319	S	S	.	.	H	α-helix	trans	-63.9	-45.8	174.9	-171.1	69.5	0	0	0	111.7	N96 E97 E98 R103 K104	N96-L100 WeakPolarHBondContact O-CB 3.46Å; N96-L100 PolarHBondContact O-N 3.18Å; E97-L100 PolarHBondContact O-N 3.01Å; E98-L100 VanDerWaalsContact C-N 3.33Å; E98-L100 PolarHBondContact O-N 2.88Å; L100-R103 PolarHBondContact O-N 3.43Å; L100-K104 WeakPolarHBondContact O-CB 3.41Å; L100-K104 PolarHBondContact O-N 3.42Å
101	K	93.5	Very high	93.3	Very high	141 Å²	141	59.5 Å²	59.5	61%	0.613	30%	0.296	S	S	*	.	H	α-helix	trans	-60.5	-47	177.9	-173.9	178.6	-178.8	179.5	0	111.4	E97 E98 K104 Q105	E97-K101 WeakPolarHBondContact O-CB 3.46Å; E97-K101 PolarHBondContact O-N 3.39Å; E98-K101 PolarHBondContact O-N 2.66Å; K101-K104 PolarHBondContact O-N 2.78Å; K101-Q105 WeakPolarHBondContact O-CG 3.39Å; K101-Q105 PolarHBondContact O-N 2.94Å
102	I	94.2	Very high	93.6	Very high	28 Å²	28	65.8 Å²	65.8	14%	0.144	32%	0.319	C	S	.	.	H	α-helix	trans	-62.4	-46.5	177.1	-68.5	168.8	0	0	0	110.6	M82 V83 F91 E98 K104 Q105 C106	M82-I102 HydrophobicContact SD-CG2 4.16Å; V83-I102 HydrophobicContact CG2-CD1 4.48Å; V83-I102 HydrophobicContact CG2-CG2 3.73Å; F91-I102 HydrophobicContact CE2-CB 4.43Å; F91-I102 HydrophobicContact CE2-CD1 4.2Å; F91-I102 HydrophobicContact CE2-CG2 4.41Å; F91-I102 HydrophobicContact CZ-CB 4.19Å; F91-I102 HydrophobicContact CZ-CG2 3.96Å; E98-I102 HydrophobicContact CG-CD1 3.97Å; E98-I102 WeakPolarHBondContact O-CG1 3.35Å; E98-I102 PolarHBondContact O-N 3.35Å; I102-K104 VanDerWaalsContact C-N 3.3Å; I102-K104 PolarHBondContact O-N 3.2Å; I102-Q105 PolarHBondContact O-N 3.46Å; I102-C106 PolarHBondContact O-N 2.94Å; I102-C106 PolarHBondContact O-SG 2.94Å
103	R	93.7	Very high	93.8	Very high	36 Å²	36	68.7 Å²	68.7	14%	0.136	34%	0.335	C	S	.	.	H	α-helix	trans	-60.9	-38.7	177.8	-74.7	-176.2	-64.3	164.9	-5.9	112.2	F91 F92 G99 L100 C106 A107 Y198	F91-R103 HydrophobicContact CE1-CG 3.76Å; F91-R103 HydrophobicContact CZ-CG 4.12Å; F92-R103 PolarHBondContact O-NH2 3.44Å; G99-R103 WeakPolarHBondContact O-CB 3.34Å; G99-R103 WeakPolarHBondContact O-CG 3.38Å; G99-R103 PolarHBondContact O-N 3.17Å; G99-R103 PolarHBondContact O-NE 2.89Å; L100-R103 PolarHBondContact O-N 3.43Å; R103-C106 PolarHBondContact O-N 2.91Å; R103-A107 PolarHBondContact O-N 3.28Å; R103-Y198 PolarHBondContact NH1-OH 2.97Å
104	K	93.5	Very high	94.2	Very high	113 Å²	113	66.2 Å²	66.2	49%	0.491	32%	0.322	S	S	.	.	H	α-helix	trans	-65.8	-43.9	175.2	-169.2	168.7	-176.8	166.6	0	111.2	L100 K101 I102 C106 A107 L108	L100-K104 WeakPolarHBondContact O-CB 3.41Å; L100-K104 PolarHBondContact O-N 3.42Å; K101-K104 PolarHBondContact O-N 2.78Å; I102-K104 VanDerWaalsContact C-N 3.3Å; I102-K104 PolarHBondContact O-N 3.2Å; K104-C106 PolarHBondContact O-N 3.47Å; K104-A107 PolarHBondContact O-N 3.26Å; K104-L108 HydrophobicContact CG-CD1 4.5Å; K104-L108 WeakPolarHBondContact O-CG 3.31Å; K104-L108 PolarHBondContact O-N 3.07Å
105	Q	95.7	Very high	94.9	Very high	84 Å²	84	68.9 Å²	68.9	39%	0.393	32%	0.322	S	S	.	.	H	α-helix	trans	-61.3	-41.7	175	-73.4	177.6	-8	0	0	112.5	K101 I102 L108 A109	K101-Q105 WeakPolarHBondContact O-CG 3.39Å; K101-Q105 PolarHBondContact O-N 2.94Å; I102-Q105 PolarHBondContact O-N 3.46Å; Q105-L108 PolarHBondContact O-N 3.45Å; Q105-A109 WeakPolarHBondContact O-CB 3.36Å; Q105-A109 PolarHBondContact O-N 2.91Å
106	C	96.7	Very high	95.3	Very high	3 Å²	3	69.2 Å²	69.2	2%	0.02	31%	0.314	C	S	.	.	H	α-helix	trans	-62.9	-42.9	176.3	-66.4	0	0	0	0	111.9	V75 R79 I102 R103 K104 A109 A110	V75-C106 HydrophobicContact CG1-CB 4.15Å; R79-C106 VanDerWaalsContact CA-SG 3.51Å; I102-C106 PolarHBondContact O-N 2.94Å; I102-C106 PolarHBondContact O-SG 2.94Å; R103-C106 PolarHBondContact O-N 2.91Å; K104-C106 PolarHBondContact O-N 3.47Å; C106-A109 PolarHBondContact O-N 3.39Å; C106-A110 PolarHBondContact O-N 2.98Å
107	A	96.2	Very high	95.7	Very high	6 Å²	6	68 Å²	68	5%	0.05	31%	0.306	C	S	.	.	H	α-helix	trans	-62.6	-43.7	175.9	0	0	0	0	0	111.6	V75 R103 K104 A109 A110 L111 F128	V75-A107 HydrophobicContact CG1-CB 4.33Å; R103-A107 PolarHBondContact O-N 3.28Å; K104-A107 PolarHBondContact O-N 3.26Å; A107-A109 PolarHBondContact O-N 3.43Å; A107-A110 PolarHBondContact O-N 2.83Å; A107-L111 WeakPolarHBondContact O-CG 3.37Å; A107-L111 PolarHBondContact O-N 3.17Å; A107-F128 HydrophobicContact CB-CZ 4.29Å
108	L	96.3	Very high	95.9	Very high	78 Å²	78	60.5 Å²	60.5	41%	0.408	27%	0.272	S	S	.	.	H	α-helix	trans	-64.7	-38	176.1	-69.6	172.1	0	0	0	112.5	K104 Q105 L111 R112	K104-L108 HydrophobicContact CG-CD1 4.5Å; K104-L108 WeakPolarHBondContact O-CG 3.31Å; K104-L108 PolarHBondContact O-N 3.07Å; Q105-L108 PolarHBondContact O-N 3.45Å; L108-L111 PolarHBondContact O-N 3.33Å; L108-R112 WeakPolarHBondContact O-CG 3.39Å; L108-R112 PolarHBondContact O-N 3.3Å
109	A	97.6	Very high	96	Very high	23 Å²	23	57.1 Å²	57.1	19%	0.19	26%	0.264	C	S	.	.	H	α-helix	trans	-62.6	-46.7	174.4	0	0	0	0	0	111.3	Y78 Q105 C106 A107 L111 R112 D113	Y78-A109 HydrophobicContact CD1-CB 4.1Å; Q105-A109 WeakPolarHBondContact O-CB 3.36Å; Q105-A109 PolarHBondContact O-N 2.91Å; C106-A109 PolarHBondContact O-N 3.39Å; A107-A109 PolarHBondContact O-N 3.43Å; A109-L111 VanDerWaalsContact C-N 3.33Å; A109-L111 PolarHBondContact O-N 3.33Å; A109-R112 WeakPolarHBondContact O-CB 3.41Å; A109-R112 PolarHBondContact O-N 2.82Å; A109-D113 PolarHBondContact O-N 3.36Å
110	A	98.1	Very high	96.2	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-40.1	175.6	0	0	0	0	0	112.3	V75 Y78 C106 A107 R112 D113 V114 F128	V75-A110 HydrophobicContact CG2-CB 4.1Å; Y78-A110 HydrophobicContact CD1-CB 4.42Å; Y78-A110 HydrophobicContact CD2-CB 3.82Å; Y78-A110 HydrophobicContact CE1-CB 4.25Å; Y78-A110 HydrophobicContact CE2-CB 3.65Å; Y78-A110 HydrophobicContact CG-CB 4.22Å; C106-A110 PolarHBondContact O-N 2.98Å; A107-A110 PolarHBondContact O-N 2.83Å; A110-R112 PolarHBondContact O-N 2.76Å; A110-D113 PolarHBondContact O-N 3.11Å; A110-V114 WeakPolarHBondContact O-CG2 3.38Å; A110-V114 PolarHBondContact O-N 3.13Å; A110-F128 HydrophobicContact CB-CD2 4.44Å; A110-F128 HydrophobicContact CB-CE2 3.63Å; A110-F128 HydrophobicContact CB-CZ 4.38Å
111	L	98.1	Very high	96.5	Very high	8 Å²	8	63.7 Å²	63.7	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-65	-35.2	175.5	-71	175.1	0	0	0	112.8	A107 L108 A109 D113 V114 R115 F128 I141 F144	A107-L111 WeakPolarHBondContact O-CG 3.37Å; A107-L111 PolarHBondContact O-N 3.17Å; L108-L111 PolarHBondContact O-N 3.33Å; A109-L111 VanDerWaalsContact C-N 3.33Å; A109-L111 PolarHBondContact O-N 3.33Å; L111-D113 VanDerWaalsContact C-N 3.32Å; L111-D113 PolarHBondContact O-N 2.79Å; L111-V114 WeakPolarHBondContact O-CB 3.38Å; L111-V114 PolarHBondContact O-N 3.11Å; L111-R115 PolarHBondContact O-N 3.42Å; L111-F128 HydrophobicContact CD2-CD2 3.94Å; L111-F128 HydrophobicContact CD2-CE2 3.63Å; L111-F128 HydrophobicContact CD2-CZ 4.06Å; L111-F128 HydrophobicContact CG-CE2 3.8Å; L111-F128 HydrophobicContact CG-CZ 4.06Å; L111-I141 HydrophobicContact CD2-CG2 4.37Å; L111-F144 HydrophobicContact CB-CD2 4.22Å; L111-F144 HydrophobicContact CB-CE1 4.31Å; L111-F144 HydrophobicContact CB-CE2 3.92Å; L111-F144 HydrophobicContact CB-CZ 3.97Å; L111-F144 HydrophobicContact CD1-CB 4.49Å; L111-F144 HydrophobicContact CD1-CD2 4.41Å; L111-F144 HydrophobicContact CD1-CG 4.24Å; L111-F144 HydrophobicContact CD2-CD1 3.76Å; L111-F144 HydrophobicContact CD2-CE1 3.86Å; L111-F144 HydrophobicContact CD2-CG 4.22Å; L111-F144 HydrophobicContact CD2-CZ 4.39Å; L111-F144 WeakPolarHBondContact O-CZ 3.49Å
112	R	97.9	Very high	96.4	Very high	162 Å²	162	59.3 Å²	59.3	61%	0.611	29%	0.287	S	S	*	.	H	α-helix	trans	-61.8	-42.2	172.7	-73.8	-172.6	-65.7	-112.1	1.9	111.7	L108 A109 A110 V114 R115 R116	L108-R112 WeakPolarHBondContact O-CG 3.39Å; L108-R112 PolarHBondContact O-N 3.3Å; A109-R112 WeakPolarHBondContact O-CB 3.41Å; A109-R112 PolarHBondContact O-N 2.82Å; A110-R112 PolarHBondContact O-N 2.76Å; R112-V114 VanDerWaalsContact C-N 3.34Å; R112-R115 PolarHBondContact O-N 3.09Å; R112-R116 PolarHBondContact O-N 3.32Å
113	D	98.4	Very high	96.5	Very high	67 Å²	67	58.1 Å²	58.1	36%	0.358	28%	0.281	S	S	.	.	H	α-helix	trans	-70.7	-32.7	178.4	-67.5	-10.4	0	0	0	111.7	F73 Y78 A109 A110 L111 R116 F117	F73-D113 HydrophobicContact CD1-CB 4.07Å; F73-D113 VanDerWaalsContact CE1-C 3.48Å; F73-D113 HydrophobicContact CE1-CB 3.78Å; Y78-D113 VanDerWaalsContact CE1-OD2 3.31Å; Y78-D113 WeakPolarHBondContact CE1-OD2 3.42Å; Y78-D113 PolarHBondContact OH-OD2 3.14Å; A109-D113 PolarHBondContact O-N 3.36Å; A110-D113 PolarHBondContact O-N 3.11Å; L111-D113 VanDerWaalsContact C-N 3.32Å; L111-D113 PolarHBondContact O-N 2.79Å; D113-R116 PolarHBondContact O-N 3.27Å; D113-F117 WeakPolarHBondContact O-CB 3.33Å; D113-F117 PolarHBondContact O-N 2.7Å
114	V	98.5	Very high	96.6	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.3	-49.5	168.5	165.7	0	0	0	0	110.7	L41 F73 A110 L111 R112 R116 F117 L118 A126 F128 F144	L41-V114 HydrophobicContact CD1-CG1 3.9Å; L41-V114 HydrophobicContact CD1-CG2 4.47Å; F73-V114 HydrophobicContact CB-CG2 4.11Å; F73-V114 HydrophobicContact CD1-CG2 3.86Å; F73-V114 HydrophobicContact CD2-CG2 3.57Å; F73-V114 HydrophobicContact CE1-CG2 4.17Å; F73-V114 HydrophobicContact CE2-CG2 3.89Å; F73-V114 HydrophobicContact CG-CG2 3.56Å; F73-V114 HydrophobicContact CZ-CG2 4.19Å; A110-V114 WeakPolarHBondContact O-CG2 3.38Å; A110-V114 PolarHBondContact O-N 3.13Å; L111-V114 WeakPolarHBondContact O-CB 3.38Å; L111-V114 PolarHBondContact O-N 3.11Å; R112-V114 VanDerWaalsContact C-N 3.34Å; V114-R116 PolarHBondContact O-N 3.45Å; V114-F117 PolarHBondContact O-N 2.76Å; V114-L118 HydrophobicContact CG1-CD1 3.87Å; V114-L118 HydrophobicContact CG1-CG 4.34Å; V114-L118 WeakPolarHBondContact O-CG 3.29Å; V114-L118 PolarHBondContact O-N 2.78Å; V114-A126 HydrophobicContact CB-CB 4.48Å; V114-A126 HydrophobicContact CG1-CB 3.81Å; V114-A126 HydrophobicContact CG2-CB 4.16Å; V114-F128 HydrophobicContact CG2-CD2 4.2Å; V114-F144 HydrophobicContact CG1-CE1 4.03Å; V114-F144 HydrophobicContact CG1-CZ 4.48Å
115	R	98	Very high	96.8	Very high	131 Å²	131	55.3 Å²	55.3	49%	0.494	27%	0.271	S	S	.	.	H	α-helix	trans	-58.6	-48.8	178.9	172.9	179.7	166.7	167.9	-2.7	111.1	L111 R112 F117 L118 S119 F144 N148 Y150	L111-R115 PolarHBondContact O-N 3.42Å; R112-R115 PolarHBondContact O-N 3.09Å; R115-F117 VanDerWaalsContact C-N 3.32Å; R115-F117 PolarHBondContact O-N 2.9Å; R115-L118 PolarHBondContact O-N 2.82Å; R115-S119 VanDerWaalsContact O-CB 3.26Å; R115-S119 WeakPolarHBondContact O-CB 3.44Å; R115-S119 PolarHBondContact O-N 2.69Å; R115-F144 HydrophobicContact CB-CE2 4.43Å; R115-F144 HydrophobicContact CB-CZ 3.93Å; R115-N148 WeakPolarHBondContact CD-OD1 3.33Å; R115-Y150 WeakPolarHBondContact CA-OH 3.25Å; R115-Y150 PolarHBondContact O-OH 3Å
116	R	98.1	Very high	96.9	Very high	136 Å²	136	51.3 Å²	51.3	51%	0.513	25%	0.253	S	S	.	.	H	α-helix	trans	-56.2	-48.4	177.6	177.2	178.3	163.8	165.2	5.7	110.9	R112 D113 V114 E120 E121	R112-R116 PolarHBondContact O-N 3.32Å; D113-R116 PolarHBondContact O-N 3.27Å; V114-R116 PolarHBondContact O-N 3.45Å; R116-E120 WeakPolarHBondContact O-CA 3.14Å; R116-E120 VanDerWaalsContact O-CB 3.24Å; R116-E120 WeakPolarHBondContact O-CB 3.39Å; R116-E120 PolarHBondContact O-N 2.9Å; R116-E121 HydrophobicContact CG-CG 4.3Å; R116-E121 IonicContact CZ-OE1 3.54Å; R116-E121 IonicContact NE-OE1 2.73Å; R116-E121 PolarHBondContact NE-OE1 2.85Å; R116-E121 IonicContact NH2-OE1 3.66Å; R116-E121 PolarHBondContact NH2-OE1 3.34Å; R116-E121 PolarHBondContact O-N 2.76Å
117	F	98.2	Very high	97	Very high	19 Å²	19	51.1 Å²	51.1	8%	0.083	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-48.7	-179.4	175.2	-112	0	0	0	113.3	R71 F73 D113 V114 R115 E121 G123 V125 A126	R71-F117 HydrophobicContact CB-CD1 4.01Å; R71-F117 HydrophobicContact CB-CD2 4.32Å; R71-F117 HydrophobicContact CB-CE1 3.61Å; R71-F117 HydrophobicContact CB-CE2 3.94Å; R71-F117 HydrophobicContact CB-CG 4.35Å; R71-F117 HydrophobicContact CB-CZ 3.57Å; F73-F117 HydrophobicContact CE2-CB 4.47Å; F73-F117 AromaticContact CE2-CD1 3.97Å; F73-F117 HydrophobicContact CE2-CD1 3.97Å; F73-F117 HydrophobicContact CE2-CG 4.41Å; F73-F117 HydrophobicContact CZ-CB 3.65Å; F73-F117 AromaticContact CZ-CD1 3.94Å; F73-F117 HydrophobicContact CZ-CD1 3.94Å; F73-F117 AromaticContact CZ-CG 3.91Å; F73-F117 HydrophobicContact CZ-CG 3.91Å; D113-F117 WeakPolarHBondContact O-CB 3.33Å; D113-F117 PolarHBondContact O-N 2.7Å; V114-F117 PolarHBondContact O-N 2.76Å; R115-F117 VanDerWaalsContact C-N 3.32Å; R115-F117 PolarHBondContact O-N 2.9Å; F117-E121 HydrophobicContact CD2-CB 4.21Å; F117-E121 PolarHBondContact O-N 3.43Å; F117-G123 WeakPolarHBondContact O-CA 3.35Å; F117-G123 PolarHBondContact O-N 2.73Å; F117-V125 WeakPolarHBondContact CE1-O 3.3Å; F117-A126 HydrophobicContact CD1-CB 4.41Å
118	L	96.9	Very high	97.1	Very high	9 Å²	9	50.9 Å²	50.9	5%	0.047	25%	0.249	C	C	.	.	H	α-helix	trans	-76	-31.6	-175.8	-64.9	-176.1	0	0	0	113.6	P39 V114 R115 A126 Y150	P39-L118 HydrophobicContact CB-CB 4.05Å; P39-L118 HydrophobicContact CB-CD1 4.11Å; P39-L118 HydrophobicContact CB-CD2 4.03Å; P39-L118 HydrophobicContact CB-CG 4.28Å; P39-L118 HydrophobicContact CG-CB 4.48Å; V114-L118 HydrophobicContact CG1-CD1 3.87Å; V114-L118 HydrophobicContact CG1-CG 4.34Å; V114-L118 WeakPolarHBondContact O-CG 3.29Å; V114-L118 PolarHBondContact O-N 2.78Å; R115-L118 PolarHBondContact O-N 2.82Å; L118-A126 HydrophobicContact CD1-CB 3.82Å; L118-A126 HydrophobicContact CD2-CB 3.92Å; L118-A126 HydrophobicContact CG-CB 3.95Å; L118-Y150 HydrophobicContact CB-CD1 4.44Å; L118-Y150 HydrophobicContact CB-CE1 3.85Å; L118-Y150 HydrophobicContact CB-CE2 4.39Å; L118-Y150 HydrophobicContact CD1-CD1 4.18Å; L118-Y150 HydrophobicContact CD1-CD2 3.86Å; L118-Y150 HydrophobicContact CD1-CE1 4.28Å; L118-Y150 HydrophobicContact CD1-CE2 3.96Å; L118-Y150 HydrophobicContact CD1-CG 3.99Å
119	S	95.5	Very high	97.2	Very high	70 Å²	70	47.4 Å²	47.4	49%	0.49	23%	0.231	S	C	.	.	H	α-helix	trans	-98.9	-25.6	-176.7	-68.6	0	0	0	0	114.5	R115 Y150	R115-S119 VanDerWaalsContact O-CB 3.26Å; R115-S119 WeakPolarHBondContact O-CB 3.44Å; R115-S119 PolarHBondContact O-N 2.69Å; S119-Y150 PolarHBondContact OG-OH 2.77Å
120	E	95.4	Very high	97.1	Very high	137 Å²	137	47 Å²	47	64%	0.64	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.9	-34.2	-170.1	-53.9	171.4	-161.6	0	0	112.9	R116	R116-E120 WeakPolarHBondContact O-CA 3.14Å; R116-E120 VanDerWaalsContact O-CB 3.24Å; R116-E120 WeakPolarHBondContact O-CB 3.39Å; R116-E120 PolarHBondContact O-N 2.9Å
121	E	96	Very high	97	Very high	87 Å²	87	48.4 Å²	48.4	41%	0.407	24%	0.236	S	C	.	.	S	Bend	trans	-96.4	2.9	-173.7	-55.9	-178.1	171.9	0	0	114	R71 R116 F117 G123	R71-E121 IonicContact NH1-OE2 2.99Å; R116-E121 HydrophobicContact CG-CG 4.3Å; R116-E121 IonicContact CZ-OE1 3.54Å; R116-E121 IonicContact NE-OE1 2.73Å; R116-E121 PolarHBondContact NE-OE1 2.85Å; R116-E121 IonicContact NH2-OE1 3.66Å; R116-E121 PolarHBondContact NH2-OE1 3.34Å; R116-E121 PolarHBondContact O-N 2.76Å; F117-E121 HydrophobicContact CD2-CB 4.21Å; F117-E121 PolarHBondContact O-N 3.43Å; E121-G123 VanDerWaalsContact C-N 3.34Å
122	G	92.1	Very high	96.9	Very high	49 Å²	49	48.1 Å²	48.1	51%	0.505	24%	0.235	S	C	.	.			trans	76.4	18.5	-179	0	0	0	0	0	114.5	H124	G122-H124 PolarHBondContact O-ND1 2.88Å
123	G	95.6	Very high	96.8	Very high	3 Å²	3	40.7 Å²	40.7	3%	0.031	21%	0.207	C	C	.	.			trans	-66.2	141.3	172.4	0	0	0	0	0	112.2	F117 E121	F117-G123 WeakPolarHBondContact O-CA 3.35Å; F117-G123 PolarHBondContact O-N 2.73Å; E121-G123 VanDerWaalsContact C-N 3.34Å
124	H	95.5	Very high	96.7	Very high	87 Å²	87	39.3 Å²	39.3	40%	0.403	20%	0.201	S	C	.	.			trans	-105.9	-35.1	177.3	-74	90.8	0	0	0	112.5	P39 T40 V68 P69 G122	P39-H124 CarbonylContact C-O 3.57Å; P39-H124 VanDerWaalsContact CA-O 3.29Å; P39-H124 WeakPolarHBondContact CA-O 3.38Å; T40-H124 PolarHBondContact N-O 3.38Å; V68-H124 HydrophobicContact CG1-CB 3.99Å; P69-H124 WeakPolarHBondContact CD-ND1 2.82Å; P69-H124 PolarHBondContact O-N 3.21Å; G122-H124 PolarHBondContact O-ND1 2.88Å
125	V	97.9	Very high	96.6	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	126.2	-179.3	-177.9	0	0	0	0	110.9	T40 I42 L63 V68 P69 T70 R71 F117 I234	T40-V125 CarbonylContact O-C 3.57Å; T40-V125 VanDerWaalsContact O-CA 3.3Å; T40-V125 WeakPolarHBondContact O-CA 3.47Å; I42-V125 HydrophobicContact CD1-CG1 3.55Å; I42-V125 HydrophobicContact CG1-CG1 3.81Å; L63-V125 HydrophobicContact CD1-CB 4.31Å; L63-V125 HydrophobicContact CD1-CG1 3.96Å; L63-V125 HydrophobicContact CD1-CG2 4.38Å; V68-V125 HydrophobicContact CG1-CG2 3.75Å; P69-V125 PolarHBondContact O-N 3.35Å; P69-V125 VanDerWaalsContact O-N 3.11Å; T70-V125 WeakPolarHBondContact CA-O 3.39Å; T70-V125 HydrophobicContact CG2-CB 3.91Å; T70-V125 HydrophobicContact CG2-CG1 3.97Å; T70-V125 WeakPolarHBondContact CG2-O 3.29Å; R71-V125 PolarHBondContact N-O 3.48Å; R71-V125 VanDerWaalsContact N-O 3.09Å; F117-V125 WeakPolarHBondContact CE1-O 3.3Å; V125-I234 HydrophobicContact CG2-CG1 4.21Å
126	A	98.5	Very high	96.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.5	172	0	0	0	0	0	109.6	T40 L41 I42 F73 V114 F117 L118	T40-A126 PolarHBondContact O-N 3.3Å; L41-A126 HydrophobicContact CD1-CB 4.09Å; I42-A126 PolarHBondContact N-O 2.94Å; F73-A126 HydrophobicContact CD2-CB 4.01Å; F73-A126 HydrophobicContact CE2-CB 3.68Å; V114-A126 HydrophobicContact CB-CB 4.48Å; V114-A126 HydrophobicContact CG1-CB 3.81Å; V114-A126 HydrophobicContact CG2-CB 4.16Å; F117-A126 HydrophobicContact CD1-CB 4.41Å; L118-A126 HydrophobicContact CD1-CB 3.82Å; L118-A126 HydrophobicContact CD2-CB 3.92Å; L118-A126 HydrophobicContact CG-CB 3.95Å
127	V	98.5	Very high	96.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	106.9	175.7	-173.4	0	0	0	0	109.3	I42 M44 T70 R71 E72 F73 D129	I42-V127 HydrophobicContact CB-CG2 4.32Å; I42-V127 HydrophobicContact CD1-CG2 4.27Å; I42-V127 HydrophobicContact CG2-CG1 4.36Å; M44-V127 HydrophobicContact CG-CG1 4.1Å; M44-V127 HydrophobicContact SD-CG1 4.1Å; T70-V127 HydrophobicContact CG2-CG2 3.97Å; R71-V127 PolarHBondContact O-N 3.03Å; E72-V127 CarbonylContact C-O 3.57Å; E72-V127 WeakPolarHBondContact CA-O 3.48Å; F73-V127 PolarHBondContact N-O 3.27Å; V127-D129 PolarHBondContact O-N 3.48Å
128	F	98.5	Very high	96.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	92.4	179.1	-166.6	-100.2	0	0	0	110.4	L41 I42 M44 F73 V75 A107 A110 L111 V114 A130 I141	L41-F128 HydrophobicContact CD1-CB 3.96Å; I42-F128 WeakPolarHBondContact O-CB 3.38Å; I42-F128 PolarHBondContact O-N 3.05Å; M44-F128 PolarHBondContact N-O 3.42Å; M44-F128 VanDerWaalsContact N-O 3.11Å; F73-F128 HydrophobicContact CB-CD2 4.4Å; V75-F128 HydrophobicContact CG2-CD2 4.47Å; V75-F128 HydrophobicContact CG2-CE1 3.82Å; V75-F128 HydrophobicContact CG2-CE2 3.8Å; V75-F128 HydrophobicContact CG2-CZ 3.42Å; V75-F128 VanDerWaalsContact CG2-CZ 3.42Å; A107-F128 HydrophobicContact CB-CZ 4.29Å; A110-F128 HydrophobicContact CB-CD2 4.44Å; A110-F128 HydrophobicContact CB-CE2 3.63Å; A110-F128 HydrophobicContact CB-CZ 4.38Å; L111-F128 HydrophobicContact CD2-CD2 3.94Å; L111-F128 HydrophobicContact CD2-CE2 3.63Å; L111-F128 HydrophobicContact CD2-CZ 4.06Å; L111-F128 HydrophobicContact CG-CE2 3.8Å; L111-F128 HydrophobicContact CG-CZ 4.06Å; V114-F128 HydrophobicContact CG2-CD2 4.2Å; F128-A130 HydrophobicContact CD1-CB 4.48Å; F128-A130 HydrophobicContact CE1-CB 4.18Å; F128-A130 PolarHBondContact O-N 3.15Å; F128-I141 HydrophobicContact CD1-CD1 3.96Å; F128-I141 HydrophobicContact CE1-CD1 3.67Å; F128-I141 HydrophobicContact CE1-CG1 4.39Å
129	D	97.4	Very high	96.2	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.032	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	102.1	-179.1	-176.3	20.1	0	0	0	111.2	M44 T53 E72 F73 N74 V75 V127	M44-D129 HydrophobicContact CG-CB 4.34Å; T53-D129 WeakPolarHBondContact CA-OD2 3.01Å; T53-D129 VanDerWaalsContact CB-OD2 3.3Å; T53-D129 WeakPolarHBondContact CB-OD2 3.22Å; T53-D129 PolarHBondContact OG1-OD2 3.37Å; E72-D129 HydrophobicContact CG-CB 4.35Å; F73-D129 PolarHBondContact O-N 2.98Å; F73-D129 VanDerWaalsContact O-N 3.09Å; N74-D129 PolarHBondContact ND2-OD2 2.98Å; V75-D129 PolarHBondContact N-O 3Å; V127-D129 PolarHBondContact O-N 3.48Å
130	A	96.2	Very high	96.3	Very high	13 Å²	13	39.9 Å²	39.9	11%	0.107	22%	0.215	C	C	.	.	S	Bend	trans	-150.4	179.7	169.7	0	0	0	0	0	110.3	K52 V75 F128	K52-A130 WeakPolarHBondContact CD-O 3.29Å; K52-A130 WeakPolarHBondContact CE-O 3.45Å; V75-A130 HydrophobicContact CB-CB 3.88Å; V75-A130 HydrophobicContact CG2-CB 3.7Å; F128-A130 HydrophobicContact CD1-CB 4.48Å; F128-A130 HydrophobicContact CE1-CB 4.18Å; F128-A130 PolarHBondContact O-N 3.15Å
131	T	95.5	Very high	96.4	Very high	31 Å²	31	33.4 Å²	33.4	19%	0.19	18%	0.184	C	C	.	.			trans	-70.2	-44.3	176.4	50.6	0	0	0	0	112.4	V45 G46 P48 T133 Y198	V45-T131 CarbonylContact C-O 3.57Å; V45-T131 WeakPolarHBondContact CA-O 3.3Å; G46-T131 PolarHBondContact N-O 3.27Å; G46-T131 WeakPolarHBondContact O-CA 3.34Å; P48-T131 HydrophobicContact CG-CG2 4.22Å; T131-T133 PolarHBondContact O-N 3.11Å; T131-Y198 HydrophobicContact CG2-CD1 4.14Å; T131-Y198 HydrophobicContact CG2-CE1 3.95Å; T131-Y198 WeakPolarHBondContact OG1-CE1 3.43Å
132	N	97.2	Very high	96.5	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	18%	0.177	C	C	.	.			trans	44.1	38.4	179.5	-56.1	-42.5	0	0	0	113.8	V43 M44 V45 T134 R137 R138 I141	V43-N132 HydrophobicContact CG1-CB 4.28Å; V43-N132 WeakPolarHBondContact CG1-ND2 3.24Å; M44-N132 WeakPolarHBondContact O-CB 3.29Å; M44-N132 PolarHBondContact O-ND2 2.86Å; V45-N132 HydrophobicContact CG2-CB 4.28Å; N132-T134 VanDerWaalsContact C-N 3.34Å; N132-T134 PolarHBondContact O-N 3.5Å; N132-R137 HydrophobicContact CB-CG 4.38Å; N132-R137 WeakPolarHBondContact OD1-CG 3.4Å; N132-R138 HydrophobicContact CB-CG 4.39Å; N132-R138 WeakPolarHBondContact O-CG 3.4Å; N132-R138 PolarHBondContact O-NH1 3.39Å; N132-I141 HydrophobicContact CB-CD1 4.48Å; N132-I141 VanDerWaalsContact OD1-CD1 3.31Å; N132-I141 WeakPolarHBondContact OD1-CD1 3.23Å
133	T	95.5	Very high	96.7	Very high	6 Å²	6	33.2 Å²	33.2	4%	0.037	17%	0.172	C	C	.	.			trans	-76.1	-17.6	-170.4	43.2	0	0	0	0	113.7	L47 T131 R138 Y202 E203	L47-T133 HydrophobicContact CD2-CG2 4.23Å; T131-T133 PolarHBondContact O-N 3.11Å; T133-R138 PolarHBondContact O-NH1 2.95Å; T133-Y202 HydrophobicContact CG2-CD2 3.61Å; T133-Y202 HydrophobicContact CG2-CE2 4.11Å; T133-Y202 HydrophobicContact CG2-CG 4.17Å; T133-E203 PolarHBondContact O-N 2.93Å
134	T	95.4	Very high	96.8	Very high	38 Å²	38	34.6 Å²	34.6	23%	0.233	18%	0.177	C	C	.	.	S	Bend	trans	-100.4	147.2	178.3	68.4	0	0	0	0	111.8	N132 E136 R137 R138 S201 E203	N132-T134 VanDerWaalsContact C-N 3.34Å; N132-T134 PolarHBondContact O-N 3.5Å; T134-E136 VanDerWaalsContact C-N 3.35Å; T134-E136 PolarHBondContact O-N 2.93Å; T134-R137 PolarHBondContact O-N 2.76Å; T134-R137 VanDerWaalsContact OG1-CB 3.3Å; T134-R137 WeakPolarHBondContact OG1-CB 3.41Å; T134-R137 PolarHBondContact OG1-N 2.86Å; T134-R138 PolarHBondContact O-N 2.77Å; T134-R138 VanDerWaalsContact O-N 3.13Å; T134-S201 WeakPolarHBondContact CG2-O 3.48Å; T134-E203 WeakPolarHBondContact CA-OE2 3.47Å
135	R	96	Very high	96.9	Very high	76 Å²	76	30.4 Å²	30.4	29%	0.287	16%	0.158	S	C	.	.	H	α-helix	trans	-63	-39.5	175.1	-75.9	179.1	174	156.1	2.1	112.4	R137 R138 A139 E203	R135-R137 VanDerWaalsContact C-N 3.27Å; R135-R137 PolarHBondContact O-N 3.09Å; R135-R138 PolarHBondContact O-N 2.9Å; R135-R138 VanDerWaalsContact O-N 3.14Å; R135-A139 WeakPolarHBondContact O-CB 3.48Å; R135-A139 PolarHBondContact O-N 2.87Å; R135-E203 HydrophobicContact CG-CB 4.06Å; R135-E203 PolarHBondContact N-OE2 3.04Å
136	E	94.9	Very high	96.7	Very high	134 Å²	134	36 Å²	36	63%	0.626	18%	0.184	S	C	*	.	H	α-helix	trans	-55.4	-44.4	175.6	-171.5	-155.4	153.3	0	0	111.3	T134 T140	T134-E136 VanDerWaalsContact C-N 3.35Å; T134-E136 PolarHBondContact O-N 2.93Å; E136-T140 PolarHBondContact O-N 2.99Å; E136-T140 PolarHBondContact O-OG1 3.12Å
137	R	95.1	Very high	96.6	Very high	55 Å²	55	43.6 Å²	43.6	21%	0.208	22%	0.219	C	C	.	.	H	α-helix	trans	-65.8	-45.1	177.9	178.6	60.7	67.7	88.6	3.7	111.2	N132 T134 R135 T140 I141	N132-R137 HydrophobicContact CB-CG 4.38Å; N132-R137 WeakPolarHBondContact OD1-CG 3.4Å; T134-R137 PolarHBondContact O-N 2.76Å; T134-R137 VanDerWaalsContact OG1-CB 3.3Å; T134-R137 WeakPolarHBondContact OG1-CB 3.41Å; T134-R137 PolarHBondContact OG1-N 2.86Å; R135-R137 VanDerWaalsContact C-N 3.27Å; R135-R137 PolarHBondContact O-N 3.09Å; R137-T140 WeakPolarHBondContact O-CB 3.38Å; R137-T140 PolarHBondContact O-N 2.85Å; R137-I141 HydrophobicContact CG-CD1 3.99Å; R137-I141 WeakPolarHBondContact O-CG1 3.41Å; R137-I141 PolarHBondContact O-N 3.04Å; R137-I141 VanDerWaalsContact O-N 3.11Å
138	R	97.5	Very high	96.5	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-63.3	-43.1	179.1	-67.5	-164.4	-62.2	-92.2	14.5	111.9	N132 T133 T134 R135 T140 I141 F142 F154 E203 S204 D210	N132-R138 HydrophobicContact CB-CG 4.39Å; N132-R138 WeakPolarHBondContact O-CG 3.4Å; N132-R138 PolarHBondContact O-NH1 3.39Å; T133-R138 PolarHBondContact O-NH1 2.95Å; T134-R138 PolarHBondContact O-N 2.77Å; T134-R138 VanDerWaalsContact O-N 3.13Å; R135-R138 PolarHBondContact O-N 2.9Å; R135-R138 VanDerWaalsContact O-N 3.14Å; R138-T140 VanDerWaalsContact C-N 3.32Å; R138-T140 PolarHBondContact O-N 2.86Å; R138-I141 PolarHBondContact O-N 3.36Å; R138-F142 WeakPolarHBondContact O-CB 3.26Å; R138-F142 PolarHBondContact O-N 3.38Å; R138-F154 HydrophobicContact CB-CE1 3.88Å; R138-F154 HydrophobicContact CB-CZ 4.29Å; R138-F154 HydrophobicContact CG-CD1 4.44Å; R138-F154 HydrophobicContact CG-CE1 3.93Å; R138-E203 VanDerWaalsContact CZ-O 3.24Å; R138-E203 PolarHBondContact NH1-O 3.12Å; R138-E203 PolarHBondContact NH2-O 2.77Å; R138-S204 PolarHBondContact NH2-O 2.94Å; R138-D210 IonicContact NH2-OD2 2.7Å
139	A	97	Very high	96.3	Very high	47 Å²	47	47.6 Å²	47.6	39%	0.388	25%	0.252	S	S	.	.	H	α-helix	trans	-60.1	-41.4	174.8	0	0	0	0	0	111.8	R135 I141 F142 N143	R135-A139 WeakPolarHBondContact O-CB 3.48Å; R135-A139 PolarHBondContact O-N 2.87Å; A139-I141 VanDerWaalsContact C-N 3.34Å; A139-I141 PolarHBondContact O-N 2.89Å; A139-F142 PolarHBondContact O-N 3.42Å; A139-N143 WeakPolarHBondContact O-CB 3.39Å; A139-N143 PolarHBondContact O-N 3.5Å; A139-N143 PolarHBondContact O-ND2 2.86Å
140	T	96.6	Very high	96.2	Very high	62 Å²	62	47.9 Å²	47.9	38%	0.38	25%	0.252	S	S	.	.	H	α-helix	trans	-59.9	-43.7	175.1	-58.3	0	0	0	0	111.9	E136 R137 R138 F144	E136-T140 PolarHBondContact O-N 2.99Å; E136-T140 PolarHBondContact O-OG1 3.12Å; R137-T140 WeakPolarHBondContact O-CB 3.38Å; R137-T140 PolarHBondContact O-N 2.85Å; R138-T140 VanDerWaalsContact C-N 3.32Å; R138-T140 PolarHBondContact O-N 2.86Å; T140-F144 WeakPolarHBondContact O-CB 3.35Å; T140-F144 PolarHBondContact O-N 2.82Å; T140-F144 VanDerWaalsContact O-N 3.07Å
141	I	97.7	Very high	96.2	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-72.1	-39.6	-179.5	-61.7	164.1	0	0	0	110.9	L41 V43 L111 F128 N132 R137 R138 A139 F144 G145	L41-I141 HydrophobicContact CD2-CG2 3.77Å; V43-I141 HydrophobicContact CG1-CD1 4.01Å; V43-I141 HydrophobicContact CG1-CG2 4.29Å; V43-I141 HydrophobicContact CG2-CG2 3.53Å; L111-I141 HydrophobicContact CD2-CG2 4.37Å; F128-I141 HydrophobicContact CD1-CD1 3.96Å; F128-I141 HydrophobicContact CE1-CD1 3.67Å; F128-I141 HydrophobicContact CE1-CG1 4.39Å; N132-I141 HydrophobicContact CB-CD1 4.48Å; N132-I141 VanDerWaalsContact OD1-CD1 3.31Å; N132-I141 WeakPolarHBondContact OD1-CD1 3.23Å; R137-I141 HydrophobicContact CG-CD1 3.99Å; R137-I141 WeakPolarHBondContact O-CG1 3.41Å; R137-I141 PolarHBondContact O-N 3.04Å; R137-I141 VanDerWaalsContact O-N 3.11Å; R138-I141 PolarHBondContact O-N 3.36Å; A139-I141 VanDerWaalsContact C-N 3.34Å; A139-I141 PolarHBondContact O-N 2.89Å; I141-F144 WeakPolarHBondContact O-CB 3.49Å; I141-F144 PolarHBondContact O-N 3.32Å; I141-G145 PolarHBondContact O-N 2.86Å
142	F	97.3	Very high	96.3	Very high	55 Å²	55	48.7 Å²	48.7	24%	0.241	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-50	175.6	-175.3	-93.6	0	0	0	111.3	R138 A139 F144 G145 E146 T152 F154 L213	R138-F142 WeakPolarHBondContact O-CB 3.26Å; R138-F142 PolarHBondContact O-N 3.38Å; A139-F142 PolarHBondContact O-N 3.42Å; F142-F144 VanDerWaalsContact C-N 3.27Å; F142-F144 PolarHBondContact O-N 3.44Å; F142-G145 WeakPolarHBondContact O-CA 3.5Å; F142-G145 PolarHBondContact O-N 2.99Å; F142-E146 HydrophobicContact CD1-CG 4.15Å; F142-E146 HydrophobicContact CE1-CG 3.75Å; F142-E146 VanDerWaalsContact CE1-OE2 3.24Å; F142-E146 WeakPolarHBondContact CE1-OE2 3.24Å; F142-E146 HydrophobicContact CZ-CG 4.16Å; F142-E146 PolarHBondContact O-N 3.12Å; F142-T152 HydrophobicContact CD2-CG2 4.15Å; F142-F154 HydrophobicContact CB-CZ 4.39Å; F142-F154 HydrophobicContact CD2-CE2 4.18Å; F142-F154 HydrophobicContact CD2-CZ 4.45Å; F142-L213 HydrophobicContact CD2-CD2 3.75Å; F142-L213 HydrophobicContact CE2-CD2 3.6Å; F142-L213 HydrophobicContact CG-CD2 4.38Å; F142-L213 HydrophobicContact CZ-CD2 4.12Å
143	N	97.2	Very high	96.4	Very high	76 Å²	76	48.6 Å²	48.6	41%	0.406	25%	0.251	S	S	.	.	H	α-helix	trans	-59.8	-38.3	176.2	-69.6	-15.2	0	0	0	111.8	A139 G145 E146 Q147	A139-N143 WeakPolarHBondContact O-CB 3.39Å; A139-N143 PolarHBondContact O-N 3.5Å; A139-N143 PolarHBondContact O-ND2 2.86Å; N143-G145 VanDerWaalsContact C-N 3.35Å; N143-E146 PolarHBondContact O-N 2.73Å; N143-Q147 WeakPolarHBondContact O-CB 3.36Å; N143-Q147 WeakPolarHBondContact O-CG 3.42Å; N143-Q147 PolarHBondContact O-N 3.33Å
144	F	97.8	Very high	96.5	Very high	32 Å²	32	48.3 Å²	48.3	14%	0.14	25%	0.25	C	C	.	.	H	α-helix	trans	-61.4	-43	172.6	168.3	-87.2	0	0	0	111.6	L41 L111 V114 R115 T140 I141 F142 N148 Y150	L41-F144 HydrophobicContact CD2-CD1 3.98Å; L41-F144 HydrophobicContact CD2-CE1 4.23Å; L111-F144 HydrophobicContact CB-CD2 4.22Å; L111-F144 HydrophobicContact CB-CE1 4.31Å; L111-F144 HydrophobicContact CB-CE2 3.92Å; L111-F144 HydrophobicContact CB-CZ 3.97Å; L111-F144 HydrophobicContact CD1-CB 4.49Å; L111-F144 HydrophobicContact CD1-CD2 4.41Å; L111-F144 HydrophobicContact CD1-CG 4.24Å; L111-F144 HydrophobicContact CD2-CD1 3.76Å; L111-F144 HydrophobicContact CD2-CE1 3.86Å; L111-F144 HydrophobicContact CD2-CG 4.22Å; L111-F144 HydrophobicContact CD2-CZ 4.39Å; L111-F144 WeakPolarHBondContact O-CZ 3.49Å; V114-F144 HydrophobicContact CG1-CE1 4.03Å; V114-F144 HydrophobicContact CG1-CZ 4.48Å; R115-F144 HydrophobicContact CB-CE2 4.43Å; R115-F144 HydrophobicContact CB-CZ 3.93Å; T140-F144 WeakPolarHBondContact O-CB 3.35Å; T140-F144 PolarHBondContact O-N 2.82Å; T140-F144 VanDerWaalsContact O-N 3.07Å; I141-F144 WeakPolarHBondContact O-CB 3.49Å; I141-F144 PolarHBondContact O-N 3.32Å; F142-F144 VanDerWaalsContact C-N 3.27Å; F142-F144 PolarHBondContact O-N 3.44Å; F144-N148 PolarHBondContact O-N 2.83Å; F144-N148 PolarHBondContact O-ND2 2.53Å; F144-Y150 HydrophobicContact CE1-CD2 4.26Å; F144-Y150 HydrophobicContact CE1-CE2 4.05Å; F144-Y150 HydrophobicContact CZ-CE2 4.36Å
145	G	96.4	Very high	96.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.8	-52.4	174.7	0	0	0	0	0	111.9	I141 F142 N143 Q147 N148 G149 Y150	I141-G145 PolarHBondContact O-N 2.86Å; F142-G145 WeakPolarHBondContact O-CA 3.5Å; F142-G145 PolarHBondContact O-N 2.99Å; N143-G145 VanDerWaalsContact C-N 3.35Å; G145-Q147 PolarHBondContact O-N 3.07Å; G145-N148 PolarHBondContact O-N 3.11Å; G145-G149 PolarHBondContact O-N 2.9Å; G145-G149 VanDerWaalsContact O-N 3.11Å; G145-Y150 CarbonylContact C-O 3.57Å; G145-Y150 PolarHBondContact O-N 3.25Å
146	E	95.2	Very high	96.7	Very high	119 Å²	119	42.9 Å²	42.9	56%	0.556	23%	0.225	S	C	*	.	H	α-helix	trans	-59.1	-46.2	179.7	-71.2	-163.7	113.4	0	0	112.8	F142 N143 N148 G149	F142-E146 HydrophobicContact CD1-CG 4.15Å; F142-E146 HydrophobicContact CE1-CG 3.75Å; F142-E146 VanDerWaalsContact CE1-OE2 3.24Å; F142-E146 WeakPolarHBondContact CE1-OE2 3.24Å; F142-E146 HydrophobicContact CZ-CG 4.16Å; F142-E146 PolarHBondContact O-N 3.12Å; N143-E146 PolarHBondContact O-N 2.73Å; E146-N148 PolarHBondContact O-N 3.42Å; E146-N148 VanDerWaalsContact O-N 3.17Å; E146-G149 PolarHBondContact O-N 3Å
147	Q	96.5	Very high	96.8	Very high	159 Å²	159	36.9 Å²	36.9	74%	0.743	20%	0.198	S	C	*	.	H	α-helix	trans	-60.8	-26.9	-179.8	-75.7	171.9	12.5	0	0	113.6	N143 G145	N143-Q147 WeakPolarHBondContact O-CB 3.36Å; N143-Q147 WeakPolarHBondContact O-CG 3.42Å; N143-Q147 PolarHBondContact O-N 3.33Å; G145-Q147 PolarHBondContact O-N 3.07Å
148	N	96	Very high	96.8	Very high	39 Å²	39	35.3 Å²	35.3	21%	0.209	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	5.4	179	-64	-87.2	0	0	0	112.8	R115 F144 G145 E146 Y150	R115-N148 WeakPolarHBondContact CD-OD1 3.33Å; F144-N148 PolarHBondContact O-N 2.83Å; F144-N148 PolarHBondContact O-ND2 2.53Å; G145-N148 PolarHBondContact O-N 3.11Å; E146-N148 PolarHBondContact O-N 3.42Å; E146-N148 VanDerWaalsContact O-N 3.17Å; N148-Y150 HydrophobicContact CB-CD1 4.31Å; N148-Y150 HydrophobicContact CB-CD2 3.79Å; N148-Y150 HydrophobicContact CB-CE1 3.9Å; N148-Y150 HydrophobicContact CB-CE2 3.34Å; N148-Y150 HydrophobicContact CB-CG 4.24Å; N148-Y150 WeakPolarHBondContact O-CD1 3.43Å; N148-Y150 VanDerWaalsContact O-CE1 3.3Å; N148-Y150 WeakPolarHBondContact O-CE1 3.42Å
149	G	94.7	Very high	96.5	Very high	46 Å²	46	35.4 Å²	35.4	47%	0.474	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	25.4	179.6	0	0	0	0	0	114.2	G145 E146	G145-G149 PolarHBondContact O-N 2.9Å; G145-G149 VanDerWaalsContact O-N 3.11Å; E146-G149 PolarHBondContact O-N 3Å
150	Y	95.6	Very high	96.1	Very high	11 Å²	11	38.3 Å²	38.3	4%	0.043	21%	0.207	C	C	.	.			trans	-94.4	142.7	176.7	-47.9	-33	0	0	0	110.9	P39 R115 L118 S119 F144 G145 N148	P39-Y150 HydrophobicContact CB-CD1 4.04Å; P39-Y150 HydrophobicContact CG-CD1 4.23Å; P39-Y150 HydrophobicContact CG-CE1 4.45Å; P39-Y150 CarbonylContact O-C 3.25Å; P39-Y150 VanDerWaalsContact O-CA 3.29Å; P39-Y150 WeakPolarHBondContact O-CA 3.29Å; R115-Y150 WeakPolarHBondContact CA-OH 3.25Å; R115-Y150 PolarHBondContact O-OH 3Å; L118-Y150 HydrophobicContact CB-CD1 4.44Å; L118-Y150 HydrophobicContact CB-CE1 3.85Å; L118-Y150 HydrophobicContact CB-CE2 4.39Å; L118-Y150 HydrophobicContact CD1-CD1 4.18Å; L118-Y150 HydrophobicContact CD1-CD2 3.86Å; L118-Y150 HydrophobicContact CD1-CE1 4.28Å; L118-Y150 HydrophobicContact CD1-CE2 3.96Å; L118-Y150 HydrophobicContact CD1-CG 3.99Å; S119-Y150 PolarHBondContact OG-OH 2.77Å; F144-Y150 HydrophobicContact CE1-CD2 4.26Å; F144-Y150 HydrophobicContact CE1-CE2 4.05Å; F144-Y150 HydrophobicContact CZ-CE2 4.36Å; G145-Y150 CarbonylContact C-O 3.57Å; G145-Y150 PolarHBondContact O-N 3.25Å; N148-Y150 HydrophobicContact CB-CD1 4.31Å; N148-Y150 HydrophobicContact CB-CD2 3.79Å; N148-Y150 HydrophobicContact CB-CE1 3.9Å; N148-Y150 HydrophobicContact CB-CE2 3.34Å; N148-Y150 HydrophobicContact CB-CG 4.24Å; N148-Y150 WeakPolarHBondContact O-CD1 3.43Å; N148-Y150 VanDerWaalsContact O-CE1 3.3Å; N148-Y150 WeakPolarHBondContact O-CE1 3.42Å
151	K	95.7	Very high	95.8	Very high	50 Å²	50	38.1 Å²	38.1	22%	0.217	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	137.4	167.2	-65.3	-179.3	-173.5	179.8	0	109.2	C38 P39 T40 L41 D232	C38-K151 HydrophobicContact CB-CG 4.17Å; P39-K151 PolarHBondContact O-N 3.5Å; T40-K151 CarbonylContact C-O 3.57Å; T40-K151 WeakPolarHBondContact CA-O 3.14Å; L41-K151 PolarHBondContact N-O 2.98Å; K151-D232 WeakPolarHBondContact CD-OD2 3.29Å; K151-D232 IonicContact NZ-OD2 3.26Å; K151-D232 PolarHBondContact NZ-OD2 3.38Å
152	T	97.1	Very high	95.3	Very high	11 Å²	11	42.8 Å²	42.8	7%	0.067	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.9	176.9	-55.2	0	0	0	0	110	L41 V43 F142 F154	L41-T152 WeakPolarHBondContact O-CA 3.26Å; V43-T152 HydrophobicContact CG2-CG2 3.78Å; F142-T152 HydrophobicContact CD2-CG2 4.15Å; T152-F154 HydrophobicContact CG2-CD2 4.21Å; T152-F154 HydrophobicContact CG2-CE1 4.39Å; T152-F154 HydrophobicContact CG2-CE2 3.57Å; T152-F154 HydrophobicContact CG2-CZ 3.68Å
153	F	98.3	Very high	94.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	120.2	176.4	-175.6	-113.9	0	0	0	110.3	T40 L41 I42 V43 V155 S214 I216 Q235 I238 V239	T40-F153 HydrophobicContact CG2-CB 4.26Å; L41-F153 PolarHBondContact O-N 3.33Å; I42-F153 CarbonylContact C-O 3.56Å; I42-F153 VanDerWaalsContact CA-O 3.26Å; I42-F153 WeakPolarHBondContact CA-O 3.48Å; V43-F153 PolarHBondContact N-O 2.99Å; F153-V155 HydrophobicContact CD1-CG2 3.95Å; F153-V155 HydrophobicContact CE1-CG2 3.78Å; F153-S214 WeakPolarHBondContact CA-O 3.17Å; F153-I216 HydrophobicContact CE1-CG2 3.8Å; F153-I216 HydrophobicContact CZ-CB 4.07Å; F153-I216 HydrophobicContact CZ-CG2 3.65Å; F153-Q235 HydrophobicContact CB-CG 4.13Å; F153-Q235 HydrophobicContact CD2-CB 4.25Å; F153-Q235 HydrophobicContact CD2-CG 3.84Å; F153-Q235 HydrophobicContact CE2-CB 4.34Å; F153-Q235 HydrophobicContact CE2-CG 4.42Å; F153-Q235 HydrophobicContact CG-CG 3.92Å; F153-I238 HydrophobicContact CD1-CG2 4.23Å; F153-I238 HydrophobicContact CE1-CB 4.36Å; F153-I238 HydrophobicContact CE1-CG2 3.7Å; F153-V239 HydrophobicContact CZ-CG2 3.77Å
154	F	98.6	Very high	94.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	136.2	-178.5	-61.2	-95	0	0	0	111.6	V43 V45 R138 F142 T152 L205 L213 S214 Y215 I216	V43-F154 HydrophobicContact CB-CD1 3.59Å; V43-F154 HydrophobicContact CB-CE1 3.78Å; V43-F154 HydrophobicContact CB-CG 4.36Å; V43-F154 HydrophobicContact CG1-CD1 3.78Å; V43-F154 HydrophobicContact CG1-CE1 3.76Å; V43-F154 HydrophobicContact CG2-CD1 4.35Å; V43-F154 HydrophobicContact CG2-CE1 4.13Å; V43-F154 WeakPolarHBondContact O-CA 3.39Å; V45-F154 HydrophobicContact CG2-CB 4.42Å; V45-F154 HydrophobicContact CG2-CD1 3.85Å; R138-F154 HydrophobicContact CB-CE1 3.88Å; R138-F154 HydrophobicContact CB-CZ 4.29Å; R138-F154 HydrophobicContact CG-CD1 4.44Å; R138-F154 HydrophobicContact CG-CE1 3.93Å; F142-F154 HydrophobicContact CB-CZ 4.39Å; F142-F154 HydrophobicContact CD2-CE2 4.18Å; F142-F154 HydrophobicContact CD2-CZ 4.45Å; T152-F154 HydrophobicContact CG2-CD2 4.21Å; T152-F154 HydrophobicContact CG2-CE1 4.39Å; T152-F154 HydrophobicContact CG2-CE2 3.57Å; T152-F154 HydrophobicContact CG2-CZ 3.68Å; F154-L205 HydrophobicContact CB-CD1 3.81Å; F154-L213 HydrophobicContact CD2-CB 4.35Å; F154-L213 HydrophobicContact CD2-CD1 4.28Å; F154-L213 HydrophobicContact CE2-CB 4.36Å; F154-L213 HydrophobicContact CE2-CD1 3.85Å; F154-L213 HydrophobicContact CE2-CD2 4.34Å; F154-L213 HydrophobicContact CE2-CG 4.42Å; F154-L213 HydrophobicContact CZ-CD1 4.37Å; F154-S214 PolarHBondContact N-O 3.18Å; F154-Y215 CarbonylContact O-C 3.53Å; F154-Y215 WeakPolarHBondContact O-CA 3.35Å; F154-Y215 WeakPolarHBondContact O-CB 3.47Å; F154-I216 PolarHBondContact O-N 3.48Å
155	V	98.3	Very high	93.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	101.5	173.8	179.8	0	0	0	0	107.8	I42 V43 M44 V45 I55 F153 I216 I218 L242	I42-V155 HydrophobicContact CG2-CB 4.48Å; I42-V155 HydrophobicContact CG2-CG2 3.74Å; V43-V155 PolarHBondContact O-N 2.94Å; M44-V155 CarbonylContact C-O 3.53Å; M44-V155 WeakPolarHBondContact CA-O 3.45Å; M44-V155 HydrophobicContact CE-CB 3.96Å; M44-V155 HydrophobicContact CE-CG1 3.71Å; M44-V155 HydrophobicContact SD-CB 3.88Å; M44-V155 HydrophobicContact SD-CG1 4.22Å; V45-V155 PolarHBondContact N-O 2.93Å; I55-V155 HydrophobicContact CG2-CG1 4.21Å; F153-V155 HydrophobicContact CD1-CG2 3.95Å; F153-V155 HydrophobicContact CE1-CG2 3.78Å; V155-I216 HydrophobicContact CB-CG2 4.21Å; V155-I216 HydrophobicContact CG1-CG2 4.11Å; V155-I216 HydrophobicContact CG2-CG2 3.83Å; V155-I218 HydrophobicContact CG1-CD1 4.04Å; V155-L242 HydrophobicContact CG1-CD1 3.97Å; V155-L242 HydrophobicContact CG2-CD1 4.13Å
156	E	98.2	Very high	93.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	128.2	178.2	-171.1	174.4	-150.5	0	0	110.5	V45 I158 Y202 S204 L205 I216 K217 I218	V45-E156 HydrophobicContact CB-CB 3.92Å; V45-E156 HydrophobicContact CB-CG 3.94Å; V45-E156 HydrophobicContact CG1-CB 4.32Å; V45-E156 HydrophobicContact CG1-CG 3.87Å; V45-E156 WeakPolarHBondContact O-CA 3.45Å; E156-I158 HydrophobicContact CG-CD1 4.15Å; E156-I158 HydrophobicContact CG-CG1 3.87Å; E156-Y202 WeakPolarHBondContact OE1-CE2 3.28Å; E156-Y202 PolarHBondContact OE1-OH 2.92Å; E156-S204 VanDerWaalsContact CD-OG 3.27Å; E156-S204 VanDerWaalsContact OE1-CA 3.25Å; E156-S204 WeakPolarHBondContact OE1-CA 3.42Å; E156-S204 WeakPolarHBondContact OE1-CB 3.43Å; E156-S204 PolarHBondContact OE1-OG 2.81Å; E156-S204 PolarHBondContact OE2-OG 3.04Å; E156-S204 VanDerWaalsContact OE2-OG 3.07Å; E156-L205 HydrophobicContact CB-CD1 3.84Å; E156-L205 PolarHBondContact OE1-N 3.22Å; E156-L205 VanDerWaalsContact OE2-CB 3.29Å; E156-L205 WeakPolarHBondContact OE2-CB 3.47Å; E156-L205 PolarHBondContact OE2-N 3.48Å; E156-L205 VanDerWaalsContact OE2-N 3.12Å; E156-I216 PolarHBondContact N-O 3.27Å; E156-K217 HydrophobicContact CB-CG 4.31Å; E156-K217 CarbonylContact O-C 3.59Å; E156-K217 WeakPolarHBondContact O-CA 3.33Å; E156-K217 WeakPolarHBondContact OE2-CE 3.45Å; E156-K217 IonicContact OE2-NZ 3.46Å; E156-I218 PolarHBondContact O-N 3.47Å
157	S	95.9	Very high	92.9	Very high	8 Å²	8	44 Å²	44	6%	0.056	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.2	172	-174.1	0	0	0	0	110.2	V45 R50	V45-S157 PolarHBondContact O-N 3.2Å; R50-S157 WeakPolarHBondContact O-CB 3.22Å; R50-S157 PolarHBondContact O-OG 3.34Å
158	I	94.9	Very high	92.3	Very high	21 Å²	21	38.3 Å²	38.3	11%	0.108	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.1	179.9	-55.7	-178.3	0	0	0	107.4	E156 S204 K217 I218 M219 D220	E156-I158 HydrophobicContact CG-CD1 4.15Å; E156-I158 HydrophobicContact CG-CG1 3.87Å; I158-S204 WeakPolarHBondContact CD1-OG 3.32Å; I158-K217 VanDerWaalsContact CD1-CE 3.45Å; I158-I218 PolarHBondContact N-O 3.03Å; I158-M219 HydrophobicContact CB-CE 3.99Å; I158-M219 HydrophobicContact CB-SD 3.79Å; I158-M219 HydrophobicContact CD1-CE 4.03Å; I158-M219 HydrophobicContact CD1-SD 3.66Å; I158-M219 HydrophobicContact CG1-SD 4.09Å; I158-M219 HydrophobicContact CG2-CE 3.78Å; I158-M219 HydrophobicContact CG2-SD 4.28Å; I158-M219 CarbonylContact O-C 3.56Å; I158-D220 PolarHBondContact O-N 3.08Å
159	C	91.6	Very high	91.7	Very high	7 Å²	7	36.6 Å²	36.6	5%	0.047	22%	0.223	C	C	.	.			trans	-144.9	122.8	173.3	180	0	0	0	0	107.2	R50 D220	R50-C159 HydrophobicContact CG-CB 4.15Å; C159-D220 WeakPolarHBondContact CA-OD1 3.48Å
160	V	89.2	Confident	91.1	Very high	107 Å²	107	38.6 Å²	38.6	65%	0.648	23%	0.226	S	C	*	.			trans	-103.6	-8.5	178.5	-62.6	0	0	0	0	112.7	P162 D220	V160-P162 VanDerWaalsContact O-CD 3.27Å; V160-P162 WeakPolarHBondContact O-CD 3.28Å; V160-D220 WeakPolarHBondContact CG2-OD1 3.15Å; V160-D220 PolarHBondContact N-OD1 3.33Å
161	D	88.9	Confident	90.2	Very high	59 Å²	59	44.9 Å²	44.9	32%	0.316	26%	0.256	S	S	.	.			trans	-70.1	114.7	178.8	-172.7	-28.6	0	0	0	111.7	E163 V164 I165	D161-E163 VanDerWaalsContact C-N 3.32Å; D161-E163 PolarHBondContact O-N 2.99Å; D161-E163 WeakPolarHBondContact OD1-CB 3.36Å; D161-E163 PolarHBondContact OD1-N 3.05Å; D161-V164 HydrophobicContact CB-CB 4.1Å; D161-V164 HydrophobicContact CB-CG2 3.9Å; D161-V164 PolarHBondContact O-N 2.93Å; D161-V164 PolarHBondContact OD1-N 3.43Å; D161-I165 WeakPolarHBondContact O-CD1 3.18Å; D161-I165 VanDerWaalsContact O-CG1 3.27Å; D161-I165 WeakPolarHBondContact O-CG1 3.46Å; D161-I165 PolarHBondContact O-N 2.89Å; D161-I165 VanDerWaalsContact O-N 3.1Å
162	P	88.1	Confident	89.3	Confident	98 Å²	98	43.5 Å²	43.5	64%	0.636	25%	0.251	S	S	*	.	H	α-helix	trans	-62.2	-33.8	179.7	-21.8	34.2	0	0	0	114	V160 I165 A166	V160-P162 VanDerWaalsContact O-CD 3.27Å; V160-P162 WeakPolarHBondContact O-CD 3.28Å; P162-I165 PolarHBondContact O-N 3.41Å; P162-A166 WeakPolarHBondContact O-CB 3.38Å; P162-A166 PolarHBondContact O-N 3.39Å
163	E	88.6	Confident	88.5	Confident	160 Å²	160	44.9 Å²	44.9	75%	0.748	26%	0.256	S	S	*	.	H	α-helix	trans	-69	-42.3	-178.5	-63.6	-172.1	176	0	0	110.6	D161 A166 A167	D161-E163 VanDerWaalsContact C-N 3.32Å; D161-E163 PolarHBondContact O-N 2.99Å; D161-E163 WeakPolarHBondContact OD1-CB 3.36Å; D161-E163 PolarHBondContact OD1-N 3.05Å; E163-A166 PolarHBondContact O-N 3.41Å; E163-A167 WeakPolarHBondContact O-CB 3.33Å; E163-A167 PolarHBondContact O-N 3.38Å
164	V	85.8	Confident	87.4	Confident	34 Å²	34	46.4 Å²	46.4	21%	0.206	26%	0.264	C	S	.	.	H	α-helix	trans	-63.8	-43.2	174.8	175.1	0	0	0	0	110.9	D161 A167 N168 V221	D161-V164 HydrophobicContact CB-CB 4.1Å; D161-V164 HydrophobicContact CB-CG2 3.9Å; D161-V164 PolarHBondContact O-N 2.93Å; D161-V164 PolarHBondContact OD1-N 3.43Å; V164-A167 PolarHBondContact O-N 2.85Å; V164-N168 WeakPolarHBondContact O-CB 3.45Å; V164-N168 VanDerWaalsContact O-CG 3.22Å; V164-N168 PolarHBondContact O-N 3.04Å; V164-N168 PolarHBondContact O-ND2 3.3Å; V164-V221 HydrophobicContact CB-CG2 4.43Å; V164-V221 HydrophobicContact CG1-CG2 3.63Å; V164-V221 HydrophobicContact CG2-CG2 4.13Å
165	I	86.1	Confident	86.3	Confident	19 Å²	19	49.8 Å²	49.8	10%	0.097	30%	0.299	C	S	.	.	H	α-helix	trans	-61.5	-48.1	178.1	-67.1	163.6	0	0	0	109.8	D161 P162 A167 N168 I169 I195	D161-I165 WeakPolarHBondContact O-CD1 3.18Å; D161-I165 VanDerWaalsContact O-CG1 3.27Å; D161-I165 WeakPolarHBondContact O-CG1 3.46Å; D161-I165 PolarHBondContact O-N 2.89Å; D161-I165 VanDerWaalsContact O-N 3.1Å; P162-I165 PolarHBondContact O-N 3.41Å; I165-A167 PolarHBondContact O-N 2.9Å; I165-N168 PolarHBondContact O-N 3.1Å; I165-I169 HydrophobicContact CG2-CD1 3.95Å; I165-I169 VanDerWaalsContact O-CG1 3.29Å; I165-I169 WeakPolarHBondContact O-CG1 3.27Å; I165-I169 PolarHBondContact O-N 3.49Å; I165-I195 HydrophobicContact CG2-CD1 4.29Å
166	A	87	Confident	85.5	Confident	53 Å²	53	50.6 Å²	50.6	44%	0.438	30%	0.304	S	S	.	.	H	α-helix	trans	-59.9	-47.3	177.8	0	0	0	0	0	111.7	P162 E163 N168 I169 V170	P162-A166 WeakPolarHBondContact O-CB 3.38Å; P162-A166 PolarHBondContact O-N 3.39Å; E163-A166 PolarHBondContact O-N 3.41Å; A166-N168 VanDerWaalsContact C-N 3.32Å; A166-N168 PolarHBondContact O-N 3.45Å; A166-I169 PolarHBondContact O-N 3.11Å; A166-I169 VanDerWaalsContact O-N 3.15Å; A166-V170 WeakPolarHBondContact O-CG2 3.37Å; A166-V170 PolarHBondContact O-N 2.87Å
167	A	85.3	Confident	84.8	Confident	43 Å²	43	54.7 Å²	54.7	36%	0.355	33%	0.331	S	S	.	.	H	α-helix	trans	-59.2	-42.6	177	0	0	0	0	0	112.1	E163 V164 I165 I169 V170 Q171	E163-A167 WeakPolarHBondContact O-CB 3.33Å; E163-A167 PolarHBondContact O-N 3.38Å; V164-A167 PolarHBondContact O-N 2.85Å; I165-A167 PolarHBondContact O-N 2.9Å; A167-I169 VanDerWaalsContact C-N 3.35Å; A167-I169 PolarHBondContact O-N 2.94Å; A167-V170 PolarHBondContact O-N 2.9Å; A167-Q171 WeakPolarHBondContact O-CB 3.39Å; A167-Q171 WeakPolarHBondContact O-CG 3.29Å; A167-Q171 PolarHBondContact O-N 2.73Å
168	N	84.4	Confident	84.2	Confident	39 Å²	39	54.9 Å²	54.9	21%	0.209	33%	0.332	C	S	.	.	H	α-helix	trans	-65.2	-36.1	176.8	-75.8	-24.4	0	0	0	112.6	A49 V164 I165 A166 V172	A49-N168 HydrophobicContact CB-CB 4.26Å; A49-N168 WeakPolarHBondContact O-CB 3.27Å; A49-N168 PolarHBondContact O-ND2 3.14Å; V164-N168 WeakPolarHBondContact O-CB 3.45Å; V164-N168 VanDerWaalsContact O-CG 3.22Å; V164-N168 PolarHBondContact O-N 3.04Å; V164-N168 PolarHBondContact O-ND2 3.3Å; I165-N168 PolarHBondContact O-N 3.1Å; A166-N168 VanDerWaalsContact C-N 3.32Å; A166-N168 PolarHBondContact O-N 3.45Å; N168-V172 VanDerWaalsContact O-CB 3.29Å; N168-V172 WeakPolarHBondContact O-CB 3.36Å; N168-V172 PolarHBondContact O-N 2.85Å
169	I	83.4	Confident	83.8	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.01	33%	0.328	C	S	.	.	I	π-helix	trans	-63.8	-52.8	176.1	-68.2	166.6	0	0	0	109.2	A49 I165 A166 A167 K173 L174 T188 F191 M192 I195	A49-I169 HydrophobicContact CB-CG1 3.81Å; I165-I169 HydrophobicContact CG2-CD1 3.95Å; I165-I169 VanDerWaalsContact O-CG1 3.29Å; I165-I169 WeakPolarHBondContact O-CG1 3.27Å; I165-I169 PolarHBondContact O-N 3.49Å; A166-I169 PolarHBondContact O-N 3.11Å; A166-I169 VanDerWaalsContact O-N 3.15Å; A167-I169 VanDerWaalsContact C-N 3.35Å; A167-I169 PolarHBondContact O-N 2.94Å; I169-K173 WeakPolarHBondContact O-CA 3.45Å; I169-K173 WeakPolarHBondContact O-CB 3.22Å; I169-K173 PolarHBondContact O-N 2.83Å; I169-L174 HydrophobicContact CG2-CD2 4.28Å; I169-L174 HydrophobicContact CG2-CG 4.41Å; I169-L174 PolarHBondContact O-N 2.99Å; I169-L174 VanDerWaalsContact O-N 3.07Å; I169-T188 HydrophobicContact CG2-CG2 4.39Å; I169-F191 HydrophobicContact CD1-CD1 3.97Å; I169-F191 HydrophobicContact CG1-CD1 3.71Å; I169-F191 HydrophobicContact CG1-CE1 4.08Å; I169-F191 HydrophobicContact CG2-CB 4.34Å; I169-F191 HydrophobicContact CG2-CD1 4.37Å; I169-F191 HydrophobicContact CG2-CG 4.42Å; I169-M192 HydrophobicContact CD1-CG 4.42Å; I169-M192 HydrophobicContact CD1-SD 3.56Å; I169-M192 VanDerWaalsContact CD1-SD 3.56Å; I169-I195 HydrophobicContact CD1-CD1 4.07Å
170	V	82.3	Confident	83.3	Confident	89 Å²	89	58.2 Å²	58.2	54%	0.539	35%	0.352	S	S	.	.	I	π-helix	trans	-62.9	-51.7	-176	175.7	0	0	0	0	111.7	A166 A167 V172 L174	A166-V170 WeakPolarHBondContact O-CG2 3.37Å; A166-V170 PolarHBondContact O-N 2.87Å; A167-V170 PolarHBondContact O-N 2.9Å; V170-V172 VanDerWaalsContact C-N 3.32Å; V170-V172 PolarHBondContact O-N 3.4Å; V170-L174 HydrophobicContact CB-CD1 4.37Å; V170-L174 HydrophobicContact CG1-CD1 4.43Å; V170-L174 HydrophobicContact CG2-CD1 4.24Å
171	Q	76.4	Confident	82.8	Confident	143 Å²	143	61 Å²	61	67%	0.668	36%	0.363	S	S	*	.	I	π-helix	trans	-68.5	-30.7	-173.6	-72.7	-174.4	2.8	0	0	113.7	A167	A167-Q171 WeakPolarHBondContact O-CB 3.39Å; A167-Q171 WeakPolarHBondContact O-CG 3.29Å; A167-Q171 PolarHBondContact O-N 2.73Å
172	V	76.8	Confident	82.5	Confident	21 Å²	21	62.7 Å²	62.7	13%	0.127	37%	0.365	C	S	.	.	I	π-helix	trans	-125.4	-34.6	-160.8	-178.4	0	0	0	0	113	N168 V170 A427 Y428	N168-V172 VanDerWaalsContact O-CB 3.29Å; N168-V172 WeakPolarHBondContact O-CB 3.36Å; N168-V172 PolarHBondContact O-N 2.85Å; V170-V172 VanDerWaalsContact C-N 3.32Å; V170-V172 PolarHBondContact O-N 3.4Å; V172-A427 HydrophobicContact CG2-CB 3.54Å; V172-Y428 HydrophobicContact CG1-CE1 4.04Å; V172-Y428 HydrophobicContact CG1-CE2 3.6Å; V172-Y428 WeakPolarHBondContact CG1-OH 3.26Å
173	K	79.6	Confident	82.5	Confident	40 Å²	40	62.1 Å²	62.1	17%	0.174	36%	0.357	C	S	.	.	I	π-helix	trans	-98.7	-32.8	-170.7	-58.2	-57.9	179.7	-167.1	0	112.8	I169 G175 S176 Y179 F191	I169-K173 WeakPolarHBondContact O-CA 3.45Å; I169-K173 WeakPolarHBondContact O-CB 3.22Å; I169-K173 PolarHBondContact O-N 2.83Å; K173-G175 VanDerWaalsContact C-N 3.26Å; K173-G175 PolarHBondContact O-N 2.93Å; K173-S176 WeakPolarHBondContact O-CB 3.3Å; K173-S176 PolarHBondContact O-N 2.78Å; K173-Y179 WeakPolarHBondContact O-CD2 3.2Å; K173-F191 HydrophobicContact CB-CD2 4.01Å; K173-F191 HydrophobicContact CB-CE2 3.73Å; K173-F191 HydrophobicContact CB-CZ 4.02Å; K173-F191 HydrophobicContact CD-CE2 4.01Å; K173-F191 HydrophobicContact CD-CZ 3.9Å; K173-F191 HydrophobicContact CG-CD2 4.48Å; K173-F191 HydrophobicContact CG-CE1 4.14Å; K173-F191 HydrophobicContact CG-CE2 3.78Å; K173-F191 HydrophobicContact CG-CZ 3.58Å
174	L	75.2	Confident	82.3	Confident	32 Å²	32	57.8 Å²	57.8	17%	0.168	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-32	173.4	-60.4	-173.9	0	0	0	112.3	I169 V170 S176 A187	I169-L174 HydrophobicContact CG2-CD2 4.28Å; I169-L174 HydrophobicContact CG2-CG 4.41Å; I169-L174 PolarHBondContact O-N 2.99Å; I169-L174 VanDerWaalsContact O-N 3.07Å; V170-L174 HydrophobicContact CB-CD1 4.37Å; V170-L174 HydrophobicContact CG1-CD1 4.43Å; V170-L174 HydrophobicContact CG2-CD1 4.24Å; L174-S176 PolarHBondContact O-N 2.93Å; L174-A187 HydrophobicContact CD2-CB 3.5Å
175	G	76.5	Confident	82.4	Confident	70 Å²	70	62.2 Å²	62.2	72%	0.722	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	2.9	171.4	0	0	0	0	0	115.2	K173	K173-G175 VanDerWaalsContact C-N 3.26Å; K173-G175 PolarHBondContact O-N 2.93Å
176	S	81.4	Confident	82.5	Confident	17 Å²	17	67 Å²	67	12%	0.119	39%	0.388	C	S	.	.	S	Bend	trans	-68.9	147.7	179	177.9	0	0	0	0	111	K173 L174 D178 Y179	K173-S176 WeakPolarHBondContact O-CB 3.3Å; K173-S176 PolarHBondContact O-N 2.78Å; L174-S176 PolarHBondContact O-N 2.93Å; S176-D178 PolarHBondContact O-N 2.93Å; S176-D178 PolarHBondContact OG-N 2.77Å; S176-Y179 PolarHBondContact O-N 3.28Å
177	P	83.2	Confident	82.6	Confident	86 Å²	86	64.6 Å²	64.6	56%	0.558	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-53	-21.3	170.6	-26.7	34.5	0	0	0	114.7	Y179	P177-Y179 VanDerWaalsContact C-N 3.31Å
178	D	84.7	Confident	82.7	Confident	13 Å²	13	64.6 Å²	64.6	7%	0.07	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-66.9	-29.3	176.8	-68.8	-31.4	0	0	0	113	R79 R80 Y86 S176 R194	R79-D178 IonicContact CZ-OD1 3.48Å; R79-D178 VanDerWaalsContact CZ-OD1 3.29Å; R79-D178 IonicContact CZ-OD2 3.53Å; R79-D178 IonicContact NH1-OD1 2.66Å; R79-D178 PolarHBondContact NH1-OD1 3Å; R79-D178 IonicContact NH1-OD2 2.79Å; R79-D178 VanDerWaalsContact NH2-CG 3.29Å; R79-D178 IonicContact NH2-OD1 3.28Å; R79-D178 PolarHBondContact NH2-OD1 2.87Å; R79-D178 VanDerWaalsContact NH2-OD1 3.08Å; R79-D178 IonicContact NH2-OD2 3.51Å; R79-D178 PolarHBondContact NH2-OD2 3.41Å; R80-D178 WeakPolarHBondContact CG-OD1 3.48Å; R80-D178 IonicContact NH1-OD2 2.68Å; Y86-D178 HydrophobicContact CD1-CB 3.89Å; Y86-D178 WeakPolarHBondContact CD1-O 3.16Å; Y86-D178 HydrophobicContact CE1-CB 4.49Å; Y86-D178 HydrophobicContact CG-CB 4.07Å; S176-D178 PolarHBondContact O-N 2.93Å; S176-D178 PolarHBondContact OG-N 2.77Å; D178-R194 IonicContact OD2-NH1 3.19Å
179	Y	86.3	Confident	83	Confident	6 Å²	6	67.8 Å²	67.8	2%	0.024	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-116.1	14.2	-172.8	-61.1	-77.7	0	0	0	112.9	Y86 K173 S176 P177 N181 R182 A187 D190 F191	Y86-Y179 HydrophobicContact CD1-CE1 4.46Å; Y86-Y179 AromaticContact CE1-CE1 3.77Å; Y86-Y179 HydrophobicContact CE1-CE1 3.77Å; Y86-Y179 AromaticContact CE1-CZ 3.79Å; Y86-Y179 PolarHBondContact OH-OH 2.93Å; K173-Y179 WeakPolarHBondContact O-CD2 3.2Å; S176-Y179 PolarHBondContact O-N 3.28Å; P177-Y179 VanDerWaalsContact C-N 3.31Å; Y179-N181 PolarHBondContact O-N 3.01Å; Y179-R182 PolarHBondContact O-N 2.7Å; Y179-A187 HydrophobicContact CD1-CB 3.49Å; Y179-A187 VanDerWaalsContact CD1-CB 3.49Å; Y179-A187 HydrophobicContact CE1-CB 4.22Å; Y179-A187 HydrophobicContact CG-CB 3.92Å; Y179-D190 HydrophobicContact CE1-CB 4.04Å; Y179-D190 WeakPolarHBondContact CE1-OD2 3.42Å; Y179-D190 PolarHBondContact OH-OD2 3.43Å; Y179-F191 AromaticContact CE2-CD2 3.64Å; Y179-F191 HydrophobicContact CE2-CD2 3.64Å; Y179-F191 HydrophobicContact CE2-CE2 4.28Å; Y179-F191 AromaticContact CZ-CD2 3.82Å; Y179-F191 WeakPolarHBondContact OH-CD2 3.42Å
180	V	80	Confident	83.4	Confident	91 Å²	91	68.1 Å²	68.1	55%	0.552	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	127.2	175.3	173.6	0	0	0	0	108.8	R182	V180-R182 VanDerWaalsContact C-N 3.35Å
181	N	79.8	Confident	83.8	Confident	166 Å²	166	64.1 Å²	64.1	89%	0.888	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	19.2	-176.7	-46.4	-38.2	0	0	0	116	Y179	Y179-N181 PolarHBondContact O-N 3.01Å
182	R	82.3	Confident	84.4	Confident	94 Å²	94	61.2 Å²	61.2	36%	0.355	34%	0.343	S	S	.	.			trans	-96.9	153.3	166.6	-69.3	-150.7	176.4	-168.1	-6	112	K87 Y179 V180 A187	K87-R182 PolarHBondContact O-NH1 2.9Å; K87-R182 PolarHBondContact O-NH2 3.16Å; Y179-R182 PolarHBondContact O-N 2.7Å; V180-R182 VanDerWaalsContact C-N 3.35Å; R182-A187 HydrophobicContact CB-CB 4.17Å
183	D	87.8	Confident	85.2	Confident	87 Å²	87	65.1 Å²	65.1	47%	0.465	36%	0.355	S	S	.	.			trans	-64	149.1	167	-177.5	68.1	0	0	0	110.8	D185 E186 A187	D183-D185 VanDerWaalsContact C-N 3.33Å; D183-D185 PolarHBondContact O-N 2.9Å; D183-D185 WeakPolarHBondContact OD2-CB 3.36Å; D183-D185 PolarHBondContact OD2-N 3.31Å; D183-E186 HydrophobicContact CB-CB 4.34Å; D183-E186 HydrophobicContact CB-CG 4.2Å; D183-A187 WeakPolarHBondContact O-CB 3.18Å; D183-A187 PolarHBondContact O-N 3.39Å
184	S	84.9	Confident	85.8	Confident	69 Å²	69	64.6 Å²	64.6	48%	0.483	35%	0.352	S	S	.	.	H	α-helix	trans	-67.2	-34.7	-175	-64.3	0	0	0	0	112.4	T188	S184-T188 WeakPolarHBondContact O-CB 3.38Å; S184-T188 PolarHBondContact O-N 3.07Å; S184-T188 PolarHBondContact O-OG1 2.95Å
185	D	86.6	Confident	86.6	Confident	127 Å²	127	63.3 Å²	63.3	68%	0.679	35%	0.345	S	S	*	.	H	α-helix	trans	-74.1	-46.2	-179.6	-65.7	-19.8	0	0	0	109.9	D183 A187 T188 E189	D183-D185 VanDerWaalsContact C-N 3.33Å; D183-D185 PolarHBondContact O-N 2.9Å; D183-D185 WeakPolarHBondContact OD2-CB 3.36Å; D183-D185 PolarHBondContact OD2-N 3.31Å; D185-A187 VanDerWaalsContact C-N 3.33Å; D185-A187 PolarHBondContact O-N 3.43Å; D185-T188 PolarHBondContact O-N 3.49Å; D185-E189 PolarHBondContact O-N 2.84Å
186	E	88.7	Confident	87.4	Confident	119 Å²	119	65 Å²	65	56%	0.556	33%	0.334	S	S	*	.	H	α-helix	trans	-59.9	-42.4	175.2	-68.4	-173.8	176	0	0	112.3	D183 T188 E189 D190	D183-E186 HydrophobicContact CB-CB 4.34Å; D183-E186 HydrophobicContact CB-CG 4.2Å; E186-T188 VanDerWaalsContact C-N 3.34Å; E186-E189 PolarHBondContact O-N 3.37Å; E186-D190 WeakPolarHBondContact O-CB 3.45Å; E186-D190 PolarHBondContact O-N 2.95Å
187	A	88.3	Confident	87.9	Confident	3 Å²	3	64.6 Å²	64.6	3%	0.025	33%	0.331	C	S	.	.	H	α-helix	trans	-67.7	-35.4	177.9	0	0	0	0	0	112	L174 Y179 R182 D183 D185 F191	L174-A187 HydrophobicContact CD2-CB 3.5Å; Y179-A187 HydrophobicContact CD1-CB 3.49Å; Y179-A187 VanDerWaalsContact CD1-CB 3.49Å; Y179-A187 HydrophobicContact CE1-CB 4.22Å; Y179-A187 HydrophobicContact CG-CB 3.92Å; R182-A187 HydrophobicContact CB-CB 4.17Å; D183-A187 WeakPolarHBondContact O-CB 3.18Å; D183-A187 PolarHBondContact O-N 3.39Å; D185-A187 VanDerWaalsContact C-N 3.33Å; D185-A187 PolarHBondContact O-N 3.43Å; A187-F191 WeakPolarHBondContact O-CB 3.24Å; A187-F191 PolarHBondContact O-N 2.79Å
188	T	88.2	Confident	88.3	Confident	43 Å²	43	61.3 Å²	61.3	26%	0.264	31%	0.308	S	S	.	.	H	α-helix	trans	-67	-46.6	174.8	-61	0	0	0	0	110.8	I169 S184 D185 E186 F191 M192	I169-T188 HydrophobicContact CG2-CG2 4.39Å; S184-T188 WeakPolarHBondContact O-CB 3.38Å; S184-T188 PolarHBondContact O-N 3.07Å; S184-T188 PolarHBondContact O-OG1 2.95Å; D185-T188 PolarHBondContact O-N 3.49Å; E186-T188 VanDerWaalsContact C-N 3.34Å; T188-F191 PolarHBondContact O-N 2.87Å; T188-M192 WeakPolarHBondContact O-CG 3.16Å; T188-M192 PolarHBondContact O-N 2.75Å
189	E	90.2	Very high	88.6	Confident	105 Å²	105	64.9 Å²	64.9	49%	0.491	32%	0.324	S	S	.	.	H	α-helix	trans	-61	-47.2	177.9	-169.1	-176	174.7	0	0	111.8	D185 E186 F191 M192 R193	D185-E189 PolarHBondContact O-N 2.84Å; E186-E189 PolarHBondContact O-N 3.37Å; E189-F191 VanDerWaalsContact C-N 3.29Å; E189-F191 PolarHBondContact O-N 2.8Å; E189-M192 PolarHBondContact O-N 2.97Å; E189-R193 PolarHBondContact O-N 2.98Å; E189-R193 IonicContact OE1-CZ 3.43Å; E189-R193 IonicContact OE1-NE 3.86Å; E189-R193 PolarHBondContact OE1-NE 2.91Å; E189-R193 IonicContact OE1-NH2 2.68Å; E189-R193 PolarHBondContact OE1-NH2 3.37Å
190	D	91.8	Very high	88.6	Confident	10 Å²	10	71.6 Å²	71.6	5%	0.053	36%	0.36	C	S	.	.	H	α-helix	trans	-59	-41.1	175.2	-179.7	89.6	0	0	0	111.7	Y86 S88 F89 Y179 E186 R193 R194	Y86-D190 VanDerWaalsContact CE1-OD2 3.31Å; Y86-D190 WeakPolarHBondContact CE1-OD2 3.43Å; Y86-D190 PolarHBondContact OH-OD2 3.38Å; S88-D190 VanDerWaalsContact CA-OD1 3.26Å; S88-D190 WeakPolarHBondContact CA-OD1 3.45Å; F89-D190 PolarHBondContact N-OD1 3.06Å; Y179-D190 HydrophobicContact CE1-CB 4.04Å; Y179-D190 WeakPolarHBondContact CE1-OD2 3.42Å; Y179-D190 PolarHBondContact OH-OD2 3.43Å; E186-D190 WeakPolarHBondContact O-CB 3.45Å; E186-D190 PolarHBondContact O-N 2.95Å; D190-R193 PolarHBondContact O-N 3.12Å; D190-R194 VanDerWaalsContact O-CB 3.3Å; D190-R194 WeakPolarHBondContact O-CB 3.49Å; D190-R194 PolarHBondContact O-N 3.24Å
191	F	90.6	Very high	89	Confident	5 Å²	5	69.5 Å²	69.5	2%	0.022	35%	0.35	C	S	.	.	H	α-helix	trans	-69.1	-35.5	179.5	-157.8	-84.2	0	0	0	112.5	P48 A49 I169 K173 Y179 A187 T188 E189 R194 I195	P48-F191 HydrophobicContact CB-CE1 3.87Å; P48-F191 HydrophobicContact CB-CZ 3.8Å; A49-F191 HydrophobicContact CB-CE1 3.72Å; A49-F191 HydrophobicContact CB-CZ 4.41Å; I169-F191 HydrophobicContact CD1-CD1 3.97Å; I169-F191 HydrophobicContact CG1-CD1 3.71Å; I169-F191 HydrophobicContact CG1-CE1 4.08Å; I169-F191 HydrophobicContact CG2-CB 4.34Å; I169-F191 HydrophobicContact CG2-CD1 4.37Å; I169-F191 HydrophobicContact CG2-CG 4.42Å; K173-F191 HydrophobicContact CB-CD2 4.01Å; K173-F191 HydrophobicContact CB-CE2 3.73Å; K173-F191 HydrophobicContact CB-CZ 4.02Å; K173-F191 HydrophobicContact CD-CE2 4.01Å; K173-F191 HydrophobicContact CD-CZ 3.9Å; K173-F191 HydrophobicContact CG-CD2 4.48Å; K173-F191 HydrophobicContact CG-CE1 4.14Å; K173-F191 HydrophobicContact CG-CE2 3.78Å; K173-F191 HydrophobicContact CG-CZ 3.58Å; Y179-F191 AromaticContact CE2-CD2 3.64Å; Y179-F191 HydrophobicContact CE2-CD2 3.64Å; Y179-F191 HydrophobicContact CE2-CE2 4.28Å; Y179-F191 AromaticContact CZ-CD2 3.82Å; Y179-F191 WeakPolarHBondContact OH-CD2 3.42Å; A187-F191 WeakPolarHBondContact O-CB 3.24Å; A187-F191 PolarHBondContact O-N 2.79Å; T188-F191 PolarHBondContact O-N 2.87Å; E189-F191 VanDerWaalsContact C-N 3.29Å; E189-F191 PolarHBondContact O-N 2.8Å; F191-R194 WeakPolarHBondContact O-CB 3.19Å; F191-R194 PolarHBondContact O-N 2.83Å; F191-I195 HydrophobicContact CD1-CD1 3.81Å; F191-I195 HydrophobicContact CD1-CG1 4.15Å; F191-I195 HydrophobicContact CE1-CD1 3.89Å; F191-I195 HydrophobicContact CE1-CG1 4.05Å; F191-I195 WeakPolarHBondContact O-CG1 3.04Å; F191-I195 PolarHBondContact O-N 2.7Å
192	M	90.8	Very high	89.7	Confident	82 Å²	82	64.3 Å²	64.3	40%	0.404	32%	0.318	S	S	.	.	H	α-helix	trans	-64.7	-48.8	174.4	-72.2	-61	-69.2	0	0	111.2	I169 T188 E189 R194 I195 E196	I169-M192 HydrophobicContact CD1-CG 4.42Å; I169-M192 HydrophobicContact CD1-SD 3.56Å; I169-M192 VanDerWaalsContact CD1-SD 3.56Å; T188-M192 WeakPolarHBondContact O-CG 3.16Å; T188-M192 PolarHBondContact O-N 2.75Å; E189-M192 PolarHBondContact O-N 2.97Å; M192-R194 PolarHBondContact O-N 2.98Å; M192-I195 WeakPolarHBondContact O-CA 3.34Å; M192-I195 VanDerWaalsContact O-CB 3.31Å; M192-I195 WeakPolarHBondContact O-CB 3.5Å; M192-I195 PolarHBondContact O-N 2.8Å; M192-I195 HydrophobicContact SD-CD1 4.15Å; M192-E196 PolarHBondContact O-N 3.32Å; M192-E196 VanDerWaalsContact O-N 3.1Å
193	R	92.7	Very high	90.4	Very high	102 Å²	102	63.5 Å²	63.5	39%	0.385	32%	0.319	S	S	.	.	H	α-helix	trans	-61.2	-34.4	174.4	-65.6	-174.9	-171.3	-167.6	5.1	112.4	F89 E189 D190 I195 E196 C197	F89-R193 HydrophobicContact CB-CB 4.15Å; F89-R193 HydrophobicContact CD1-CB 3.81Å; F89-R193 HydrophobicContact CD1-CG 4.48Å; F89-R193 HydrophobicContact CD2-CB 3.7Å; F89-R193 HydrophobicContact CE1-CB 4.16Å; F89-R193 HydrophobicContact CE1-CG 4.43Å; F89-R193 HydrophobicContact CE2-CB 4.04Å; F89-R193 HydrophobicContact CG-CB 3.59Å; F89-R193 HydrophobicContact CZ-CB 4.27Å; E189-R193 PolarHBondContact O-N 2.98Å; E189-R193 IonicContact OE1-CZ 3.43Å; E189-R193 IonicContact OE1-NE 3.86Å; E189-R193 PolarHBondContact OE1-NE 2.91Å; E189-R193 IonicContact OE1-NH2 2.68Å; E189-R193 PolarHBondContact OE1-NH2 3.37Å; D190-R193 PolarHBondContact O-N 3.12Å; R193-I195 VanDerWaalsContact C-N 3.31Å; R193-I195 PolarHBondContact O-N 3.22Å; R193-E196 PolarHBondContact O-N 2.9Å; R193-C197 PolarHBondContact O-N 3.04Å; R193-C197 VanDerWaalsContact O-N 3.14Å; R193-C197 PolarHBondContact O-SG 2.76Å
194	R	92.6	Very high	90.8	Very high	30 Å²	30	61 Å²	61	11%	0.113	31%	0.308	C	S	.	.	H	α-helix	trans	-63	-35.9	172.1	174.4	180	178.2	176.2	2	112.1	F89 F92 D178 D190 F191 M192 C197 Y198	F89-R194 HydrophobicContact CB-CB 3.91Å; F92-R194 HydrophobicContact CD2-CB 4.41Å; F92-R194 HydrophobicContact CD2-CG 3.61Å; F92-R194 VanDerWaalsContact CE2-CD 3.47Å; F92-R194 HydrophobicContact CE2-CG 4.02Å; F92-R194 HydrophobicContact CG-CG 4.15Å; F92-R194 VanDerWaalsContact CZ-NH2 3.26Å; D178-R194 IonicContact OD2-NH1 3.19Å; D190-R194 VanDerWaalsContact O-CB 3.3Å; D190-R194 WeakPolarHBondContact O-CB 3.49Å; D190-R194 PolarHBondContact O-N 3.24Å; F191-R194 WeakPolarHBondContact O-CB 3.19Å; F191-R194 PolarHBondContact O-N 2.83Å; M192-R194 PolarHBondContact O-N 2.98Å; R194-C197 WeakPolarHBondContact O-CB 3.48Å; R194-Y198 HydrophobicContact CG-CE2 4.29Å; R194-Y198 WeakPolarHBondContact O-CD2 3.5Å
195	I	92.2	Very high	91.4	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-65.1	-48.1	174.6	-73.4	163.2	0	0	0	109.9	P48 A49 I165 I169 F191 M192 R193 C197 Y198 E199	P48-I195 HydrophobicContact CB-CG1 3.95Å; P48-I195 HydrophobicContact CG-CG1 4.29Å; A49-I195 HydrophobicContact CB-CD1 4.43Å; I165-I195 HydrophobicContact CG2-CD1 4.29Å; I169-I195 HydrophobicContact CD1-CD1 4.07Å; F191-I195 HydrophobicContact CD1-CD1 3.81Å; F191-I195 HydrophobicContact CD1-CG1 4.15Å; F191-I195 HydrophobicContact CE1-CD1 3.89Å; F191-I195 HydrophobicContact CE1-CG1 4.05Å; F191-I195 WeakPolarHBondContact O-CG1 3.04Å; F191-I195 PolarHBondContact O-N 2.7Å; M192-I195 WeakPolarHBondContact O-CA 3.34Å; M192-I195 VanDerWaalsContact O-CB 3.31Å; M192-I195 WeakPolarHBondContact O-CB 3.5Å; M192-I195 PolarHBondContact O-N 2.8Å; M192-I195 HydrophobicContact SD-CD1 4.15Å; R193-I195 VanDerWaalsContact C-N 3.31Å; R193-I195 PolarHBondContact O-N 3.22Å; I195-C197 PolarHBondContact O-N 2.6Å; I195-Y198 PolarHBondContact O-N 2.8Å; I195-E199 HydrophobicContact CG2-CG 4.19Å; I195-E199 WeakPolarHBondContact CG2-OE1 3.47Å; I195-E199 PolarHBondContact O-N 3.21Å
196	E	92.4	Very high	91.9	Very high	105 Å²	105	54.5 Å²	54.5	49%	0.491	27%	0.268	S	S	.	.	H	α-helix	trans	-55.1	-37.9	179.1	-66.7	171.3	-176.5	0	0	112	M192 R193 Y198 E199	M192-E196 PolarHBondContact O-N 3.32Å; M192-E196 VanDerWaalsContact O-N 3.1Å; R193-E196 PolarHBondContact O-N 2.9Å; E196-Y198 PolarHBondContact O-N 2.79Å; E196-Y198 VanDerWaalsContact O-N 3.16Å; E196-E199 PolarHBondContact O-N 2.83Å; E196-E199 VanDerWaalsContact O-N 3.16Å
197	C	92	Very high	92.1	Very high	9 Å²	9	54.8 Å²	54.8	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-55.7	-33.1	175.1	-65.7	0	0	0	0	113.3	F92 R193 R194 I195	F92-C197 HydrophobicContact CB-CB 4.27Å; R193-C197 PolarHBondContact O-N 3.04Å; R193-C197 VanDerWaalsContact O-N 3.14Å; R193-C197 PolarHBondContact O-SG 2.76Å; R194-C197 WeakPolarHBondContact O-CB 3.48Å; I195-C197 PolarHBondContact O-N 2.6Å
198	Y	91.3	Very high	92.4	Very high	18 Å²	18	61 Å²	61	7%	0.071	30%	0.302	C	S	.	.	H	α-helix	trans	-89	-28.3	178.8	-70.4	-85	0	0	0	112.9	P48 F92 R103 T131 R194 I195 E196 N200 S201 Y202	P48-Y198 HydrophobicContact CG-CD2 3.63Å; P48-Y198 HydrophobicContact CG-CE2 3.96Å; P48-Y198 HydrophobicContact CG-CG 4.34Å; F92-Y198 HydrophobicContact CB-CE2 4.18Å; F92-Y198 HydrophobicContact CD1-CE2 4.19Å; F92-Y198 AromaticContact CD1-CZ 3.97Å; F92-Y198 WeakPolarHBondContact CD1-OH 3.39Å; F92-Y198 WeakPolarHBondContact CE1-OH 3.26Å; F92-Y198 HydrophobicContact CG-CE2 4.26Å; R103-Y198 PolarHBondContact NH1-OH 2.97Å; T131-Y198 HydrophobicContact CG2-CD1 4.14Å; T131-Y198 HydrophobicContact CG2-CE1 3.95Å; T131-Y198 WeakPolarHBondContact OG1-CE1 3.43Å; R194-Y198 HydrophobicContact CG-CE2 4.29Å; R194-Y198 WeakPolarHBondContact O-CD2 3.5Å; I195-Y198 PolarHBondContact O-N 2.8Å; E196-Y198 PolarHBondContact O-N 2.79Å; E196-Y198 VanDerWaalsContact O-N 3.16Å; Y198-N200 VanDerWaalsContact C-N 3.32Å; Y198-N200 PolarHBondContact O-N 2.97Å; Y198-S201 PolarHBondContact O-N 2.68Å; Y198-S201 PolarHBondContact O-OG 2.86Å; Y198-Y202 WeakPolarHBondContact O-CB 3.35Å; Y198-Y202 PolarHBondContact O-N 3.11Å; Y198-Y202 VanDerWaalsContact O-N 3.13Å
199	E	91.6	Very high	92.8	Very high	88 Å²	88	64.5 Å²	64.5	41%	0.411	32%	0.319	S	S	.	.	H	α-helix	trans	-60.8	-41.2	-177.3	-75.7	175.9	171.3	0	0	111.9	L47 R50 I195 E196 S201 Y202	L47-E199 HydrophobicContact CD1-CG 3.67Å; L47-E199 HydrophobicContact CD2-CG 4.01Å; R50-E199 IonicContact NH2-OE1 3.52Å; R50-E199 PolarHBondContact NH2-OE1 2.98Å; I195-E199 HydrophobicContact CG2-CG 4.19Å; I195-E199 WeakPolarHBondContact CG2-OE1 3.47Å; I195-E199 PolarHBondContact O-N 3.21Å; E196-E199 PolarHBondContact O-N 2.83Å; E196-E199 VanDerWaalsContact O-N 3.16Å; E199-S201 PolarHBondContact O-N 2.87Å; E199-Y202 PolarHBondContact O-N 3.45Å
200	N	85.6	Confident	93.1	Very high	146 Å²	146	60.3 Å²	60.3	78%	0.781	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.4	179.5	-67.9	-26.4	0	0	0	114.7	Y198	Y198-N200 VanDerWaalsContact C-N 3.32Å; Y198-N200 PolarHBondContact O-N 2.97Å
201	S	88.6	Confident	93.3	Very high	48 Å²	48	67.1 Å²	67.1	34%	0.336	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	11.9	-178.2	59.3	0	0	0	0	112.8	T134 Y198 E199 E203	T134-S201 WeakPolarHBondContact CG2-O 3.48Å; Y198-S201 PolarHBondContact O-N 2.68Å; Y198-S201 PolarHBondContact O-OG 2.86Å; E199-S201 PolarHBondContact O-N 2.87Å; S201-E203 PolarHBondContact O-N 2.71Å
202	Y	95.4	Very high	93.5	Very high	57 Å²	57	71.1 Å²	71.1	22%	0.224	35%	0.346	C	S	.	.			trans	-82.1	112.7	-175.5	178.4	-148.4	0	0	0	111.4	L47 T133 E156 Y198 E199	L47-Y202 HydrophobicContact CD1-CD1 3.86Å; L47-Y202 HydrophobicContact CD1-CE1 4.15Å; L47-Y202 HydrophobicContact CD2-CD1 3.95Å; L47-Y202 HydrophobicContact CD2-CG 4.04Å; L47-Y202 HydrophobicContact CG-CD1 3.73Å; L47-Y202 HydrophobicContact CG-CE1 3.99Å; L47-Y202 HydrophobicContact CG-CG 4.25Å; T133-Y202 HydrophobicContact CG2-CD2 3.61Å; T133-Y202 HydrophobicContact CG2-CE2 4.11Å; T133-Y202 HydrophobicContact CG2-CG 4.17Å; E156-Y202 WeakPolarHBondContact OE1-CE2 3.28Å; E156-Y202 PolarHBondContact OE1-OH 2.92Å; Y198-Y202 WeakPolarHBondContact O-CB 3.35Å; Y198-Y202 PolarHBondContact O-N 3.11Å; Y198-Y202 VanDerWaalsContact O-N 3.13Å; E199-Y202 PolarHBondContact O-N 3.45Å
203	E	96.3	Very high	93.8	Very high	77 Å²	77	68.5 Å²	68.5	36%	0.36	33%	0.334	S	S	.	.			trans	-106.7	98.7	172.4	-59.6	171.2	103.3	0	0	108.2	T133 T134 R135 R138 S201	T133-E203 PolarHBondContact O-N 2.93Å; T134-E203 WeakPolarHBondContact CA-OE2 3.47Å; R135-E203 HydrophobicContact CG-CB 4.06Å; R135-E203 PolarHBondContact N-OE2 3.04Å; R138-E203 VanDerWaalsContact CZ-O 3.24Å; R138-E203 PolarHBondContact NH1-O 3.12Å; R138-E203 PolarHBondContact NH2-O 2.77Å; S201-E203 PolarHBondContact O-N 2.71Å
204	S	96.8	Very high	94.1	Very high	35 Å²	35	64.6 Å²	64.6	25%	0.245	32%	0.322	C	S	.	.			trans	-60	159.7	177.6	-174.6	0	0	0	0	111.9	R138 E156 I158 D206 K217	R138-S204 PolarHBondContact NH2-O 2.94Å; E156-S204 VanDerWaalsContact CD-OG 3.27Å; E156-S204 VanDerWaalsContact OE1-CA 3.25Å; E156-S204 WeakPolarHBondContact OE1-CA 3.42Å; E156-S204 WeakPolarHBondContact OE1-CB 3.43Å; E156-S204 PolarHBondContact OE1-OG 2.81Å; E156-S204 PolarHBondContact OE2-OG 3.04Å; E156-S204 VanDerWaalsContact OE2-OG 3.07Å; I158-S204 WeakPolarHBondContact CD1-OG 3.32Å; S204-D206 PolarHBondContact O-N 3.42Å; S204-K217 PolarHBondContact OG-NZ 3.38Å; S204-K217 VanDerWaalsContact OG-NZ 3.11Å
205	L	97.4	Very high	94.4	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.01	32%	0.317	C	S	.	.			trans	-63.8	131.1	169.8	-66.6	169	0	0	0	109.4	F154 E156 D210 L213 Y215 K217	F154-L205 HydrophobicContact CB-CD1 3.81Å; E156-L205 HydrophobicContact CB-CD1 3.84Å; E156-L205 PolarHBondContact OE1-N 3.22Å; E156-L205 VanDerWaalsContact OE2-CB 3.29Å; E156-L205 WeakPolarHBondContact OE2-CB 3.47Å; E156-L205 PolarHBondContact OE2-N 3.48Å; E156-L205 VanDerWaalsContact OE2-N 3.12Å; L205-D210 WeakPolarHBondContact CA-OD2 3.36Å; L205-D210 HydrophobicContact CD2-CB 4.26Å; L205-L213 HydrophobicContact CD2-CD1 4.49Å; L205-Y215 HydrophobicContact CD1-CD1 4.44Å; L205-Y215 HydrophobicContact CD1-CD2 4.13Å; L205-Y215 HydrophobicContact CD1-CG 3.88Å; L205-K217 HydrophobicContact CB-CD 4.27Å; L205-K217 HydrophobicContact CB-CG 4.48Å; L205-K217 PolarHBondContact O-NZ 3.2Å
206	D	96.9	Very high	94.6	Very high	57 Å²	57	63 Å²	63	31%	0.305	32%	0.316	S	S	.	.			trans	-119.8	136.4	-171	179.6	-99.6	0	0	0	111.2	S204 D208 L209 D210	S204-D206 PolarHBondContact O-N 3.42Å; D206-D208 VanDerWaalsContact C-N 3.27Å; D206-D208 PolarHBondContact O-N 3.29Å; D206-D208 PolarHBondContact OD1-N 3.46Å; D206-D208 VanDerWaalsContact OD1-N 3.12Å; D206-L209 HydrophobicContact CB-CB 4.13Å; D206-L209 WeakPolarHBondContact OD1-CB 3.13Å; D206-L209 WeakPolarHBondContact OD1-CG 3.32Å; D206-L209 PolarHBondContact OD1-N 3.46Å; D206-D210 PolarHBondContact N-OD2 3.49Å; D206-D210 WeakPolarHBondContact O-CA 3Å; D206-D210 VanDerWaalsContact O-CB 3.23Å; D206-D210 WeakPolarHBondContact O-CB 3.4Å; D206-D210 PolarHBondContact O-N 2.92Å
207	E	92.9	Very high	94.9	Very high	124 Å²	124	59.5 Å²	59.5	58%	0.579	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.2	-173.2	-67.6	179.8	-162.4	0	0	113	R211 V226	E207-R211 WeakPolarHBondContact O-CA 3.24Å; E207-R211 WeakPolarHBondContact O-CB 3.32Å; E207-V226 HydrophobicContact CG-CG1 4.47Å
208	D	94.8	Very high	95.1	Very high	133 Å²	133	59.5 Å²	59.5	71%	0.711	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-46.7	179.5	-68.9	-44.2	0	0	0	111.3	D206	D206-D208 VanDerWaalsContact C-N 3.27Å; D206-D208 PolarHBondContact O-N 3.29Å; D206-D208 PolarHBondContact OD1-N 3.46Å; D206-D208 VanDerWaalsContact OD1-N 3.12Å
209	L	95.7	Very high	95.2	Very high	118 Å²	118	60.7 Å²	60.7	62%	0.618	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-29.1	-171.1	-63.6	162.3	0	0	0	112.6	D206	D206-L209 HydrophobicContact CB-CB 4.13Å; D206-L209 WeakPolarHBondContact OD1-CB 3.13Å; D206-L209 WeakPolarHBondContact OD1-CG 3.32Å; D206-L209 PolarHBondContact OD1-N 3.46Å
210	D	96.7	Very high	95.1	Very high	16 Å²	16	58.2 Å²	58.2	9%	0.086	29%	0.294	C	S	.	.	S	Bend	trans	-108.1	17.6	177.8	-60	-72	0	0	0	112	R138 L205 D206 D212 L213 Y215	R138-D210 IonicContact NH2-OD2 2.7Å; L205-D210 WeakPolarHBondContact CA-OD2 3.36Å; L205-D210 HydrophobicContact CD2-CB 4.26Å; D206-D210 PolarHBondContact N-OD2 3.49Å; D206-D210 WeakPolarHBondContact O-CA 3Å; D206-D210 VanDerWaalsContact O-CB 3.23Å; D206-D210 WeakPolarHBondContact O-CB 3.4Å; D206-D210 PolarHBondContact O-N 2.92Å; D210-D212 PolarHBondContact O-N 3.5Å; D210-L213 HydrophobicContact CB-CD1 3.92Å; D210-L213 HydrophobicContact CB-CG 4.29Å; D210-L213 WeakPolarHBondContact O-CB 3.46Å; D210-L213 PolarHBondContact O-N 2.65Å; D210-Y215 HydrophobicContact CB-CE1 4.35Å
211	R	95.6	Very high	95.1	Very high	154 Å²	154	53.9 Å²	53.9	58%	0.581	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-28.3	-174.8	76.2	-175.5	-175.1	-177.1	-3.5	115.6	E207 N228 R229	E207-R211 WeakPolarHBondContact O-CA 3.24Å; E207-R211 WeakPolarHBondContact O-CB 3.32Å; R211-N228 PolarHBondContact O-ND2 3.21Å; R211-R229 WeakPolarHBondContact O-CD 3.46Å; R211-R229 PolarHBondContact O-NE 3.39Å
212	D	95.9	Very high	95.1	Very high	89 Å²	89	52.5 Å²	52.5	48%	0.476	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-7.6	-176.5	-69.7	-58.5	0	0	0	112.7	D210 R229	D210-D212 PolarHBondContact O-N 3.5Å; D212-R229 IonicContact OD1-CZ 3.49Å; D212-R229 IonicContact OD1-NH1 2.66Å; D212-R229 PolarHBondContact OD1-NH1 3.12Å; D212-R229 IonicContact OD1-NH2 3.47Å; D212-R229 PolarHBondContact OD1-NH2 3.35Å
213	L	97.4	Very high	94.8	Very high	27 Å²	27	57.3 Å²	57.3	14%	0.141	29%	0.291	C	S	.	.	S	Bend	trans	-89	144.2	179.6	-55.4	-174.6	0	0	0	112.4	F142 F154 L205 D210 Y215 N228	F142-L213 HydrophobicContact CD2-CD2 3.75Å; F142-L213 HydrophobicContact CE2-CD2 3.6Å; F142-L213 HydrophobicContact CG-CD2 4.38Å; F142-L213 HydrophobicContact CZ-CD2 4.12Å; F154-L213 HydrophobicContact CD2-CB 4.35Å; F154-L213 HydrophobicContact CD2-CD1 4.28Å; F154-L213 HydrophobicContact CE2-CB 4.36Å; F154-L213 HydrophobicContact CE2-CD1 3.85Å; F154-L213 HydrophobicContact CE2-CD2 4.34Å; F154-L213 HydrophobicContact CE2-CG 4.42Å; F154-L213 HydrophobicContact CZ-CD1 4.37Å; L205-L213 HydrophobicContact CD2-CD1 4.49Å; D210-L213 HydrophobicContact CB-CD1 3.92Å; D210-L213 HydrophobicContact CB-CG 4.29Å; D210-L213 WeakPolarHBondContact O-CB 3.46Å; D210-L213 PolarHBondContact O-N 2.65Å; L213-Y215 HydrophobicContact CB-CD1 4.19Å; L213-Y215 WeakPolarHBondContact O-CD1 3.35Å; L213-N228 PolarHBondContact O-ND2 3.04Å
214	S	98	Very high	94.7	Very high	19 Å²	19	56.6 Å²	56.6	13%	0.133	29%	0.294	C	S	.	.			trans	-82	118.8	169.1	-57.5	0	0	0	0	110.2	F153 F154 N228 R229	F153-S214 WeakPolarHBondContact CA-O 3.17Å; F154-S214 PolarHBondContact N-O 3.18Å; S214-N228 WeakPolarHBondContact CA-O 3.07Å; S214-R229 WeakPolarHBondContact CB-O 3.15Å; S214-R229 PolarHBondContact OG-O 2.9Å
215	Y	98.4	Very high	94.7	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.008	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	163.1	-178.9	66.8	-102.3	0	0	0	114.8	F154 L205 D210 L213 K217 V226 V227 N228	F154-Y215 CarbonylContact O-C 3.53Å; F154-Y215 WeakPolarHBondContact O-CA 3.35Å; F154-Y215 WeakPolarHBondContact O-CB 3.47Å; L205-Y215 HydrophobicContact CD1-CD1 4.44Å; L205-Y215 HydrophobicContact CD1-CD2 4.13Å; L205-Y215 HydrophobicContact CD1-CG 3.88Å; D210-Y215 HydrophobicContact CB-CE1 4.35Å; L213-Y215 HydrophobicContact CB-CD1 4.19Å; L213-Y215 WeakPolarHBondContact O-CD1 3.35Å; Y215-K217 HydrophobicContact CD2-CG 3.93Å; Y215-K217 HydrophobicContact CE2-CD 4.08Å; Y215-K217 HydrophobicContact CE2-CG 3.94Å; Y215-V226 HydrophobicContact CE2-CG1 4.2Å; Y215-V227 WeakPolarHBondContact O-CA 3.2Å; Y215-N228 HydrophobicContact CD1-CB 3.74Å; Y215-N228 HydrophobicContact CD2-CB 4.04Å; Y215-N228 HydrophobicContact CE1-CB 3.36Å; Y215-N228 WeakPolarHBondContact CE1-ND2 3.36Å; Y215-N228 HydrophobicContact CE2-CB 3.68Å; Y215-N228 HydrophobicContact CG-CB 4.06Å; Y215-N228 PolarHBondContact N-O 3.48Å; Y215-N228 PolarHBondContact O-N 2.94Å
216	I	98.2	Very high	94.7	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.4	162.9	-179.2	172.7	0	0	0	109.5	F153 F154 V155 E156 I218 Y225 V226 V227 V239 L242	F153-I216 HydrophobicContact CE1-CG2 3.8Å; F153-I216 HydrophobicContact CZ-CB 4.07Å; F153-I216 HydrophobicContact CZ-CG2 3.65Å; F154-I216 PolarHBondContact O-N 3.48Å; V155-I216 HydrophobicContact CB-CG2 4.21Å; V155-I216 HydrophobicContact CG1-CG2 4.11Å; V155-I216 HydrophobicContact CG2-CG2 3.83Å; E156-I216 PolarHBondContact N-O 3.27Å; I216-I218 HydrophobicContact CD1-CG1 4.28Å; I216-I218 HydrophobicContact CG1-CG1 4.22Å; I216-Y225 HydrophobicContact CD1-CD1 3.99Å; I216-Y225 HydrophobicContact CG1-CD1 4.47Å; I216-V226 CarbonylContact C-O 3.55Å; I216-V226 VanDerWaalsContact CA-O 3.29Å; I216-V226 WeakPolarHBondContact CA-O 3.35Å; I216-V227 HydrophobicContact CB-CG2 4.42Å; I216-V227 HydrophobicContact CD1-CG2 4.15Å; I216-V227 HydrophobicContact CG1-CG2 3.99Å; I216-V239 HydrophobicContact CB-CG2 4.47Å; I216-V239 HydrophobicContact CD1-CG1 4.24Å; I216-V239 HydrophobicContact CD1-CG2 4.3Å; I216-L242 HydrophobicContact CD1-CB 4.22Å; I216-L242 HydrophobicContact CD1-CD1 4.29Å; I216-L242 HydrophobicContact CG2-CD1 3.89Å
217	K	97.5	Very high	94.7	Very high	30 Å²	30	59.8 Å²	59.8	13%	0.13	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	125.8	166.7	-54.2	179.6	63.6	164.5	0	108.3	E156 I158 S204 L205 Y215 M219 Y225 V226	E156-K217 HydrophobicContact CB-CG 4.31Å; E156-K217 CarbonylContact O-C 3.59Å; E156-K217 WeakPolarHBondContact O-CA 3.33Å; E156-K217 WeakPolarHBondContact OE2-CE 3.45Å; E156-K217 IonicContact OE2-NZ 3.46Å; I158-K217 VanDerWaalsContact CD1-CE 3.45Å; S204-K217 PolarHBondContact OG-NZ 3.38Å; S204-K217 VanDerWaalsContact OG-NZ 3.11Å; L205-K217 HydrophobicContact CB-CD 4.27Å; L205-K217 HydrophobicContact CB-CG 4.48Å; L205-K217 PolarHBondContact O-NZ 3.2Å; Y215-K217 HydrophobicContact CD2-CG 3.93Å; Y215-K217 HydrophobicContact CE2-CD 4.08Å; Y215-K217 HydrophobicContact CE2-CG 3.94Å; K217-M219 HydrophobicContact CB-SD 4.26Å; K217-Y225 VanDerWaalsContact O-CA 3.26Å; K217-Y225 WeakPolarHBondContact O-CA 3.4Å; K217-V226 HydrophobicContact CB-CB 4.11Å; K217-V226 HydrophobicContact CD-CB 4.27Å; K217-V226 HydrophobicContact CG-CB 4.34Å; K217-V226 PolarHBondContact N-O 3.36Å; K217-V226 PolarHBondContact O-N 2.91Å
218	I	96.3	Very high	95	Very high	9 Å²	9	55.7 Å²	55.7	5%	0.046	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	110.7	175.8	-56.1	168.1	0	0	0	106.8	I55 V155 E156 I158 I216 Y225 L242	I55-I218 HydrophobicContact CD1-CD1 3.91Å; V155-I218 HydrophobicContact CG1-CD1 4.04Å; E156-I218 PolarHBondContact O-N 3.47Å; I158-I218 PolarHBondContact N-O 3.03Å; I216-I218 HydrophobicContact CD1-CG1 4.28Å; I216-I218 HydrophobicContact CG1-CG1 4.22Å; I218-Y225 HydrophobicContact CB-CD1 4.41Å; I218-Y225 HydrophobicContact CB-CE1 4.39Å; I218-Y225 HydrophobicContact CG1-CD1 4.02Å; I218-Y225 HydrophobicContact CG1-CE1 4.06Å; I218-Y225 HydrophobicContact CG2-CD1 4.33Å; I218-Y225 HydrophobicContact CG2-CE1 3.88Å; I218-L242 HydrophobicContact CD1-CB 4.28Å; I218-L242 HydrophobicContact CD1-CD1 4.25Å; I218-L242 HydrophobicContact CD1-CD2 4.26Å; I218-L242 HydrophobicContact CD1-CG 4.49Å
219	M	93.8	Very high	95.1	Very high	43 Å²	43	55.7 Å²	55.7	21%	0.212	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	135.4	-177	-50.8	-60.6	-67	0	0	110.2	I158 K217 V221 G222 Q223 S224	I158-M219 HydrophobicContact CB-CE 3.99Å; I158-M219 HydrophobicContact CB-SD 3.79Å; I158-M219 HydrophobicContact CD1-CE 4.03Å; I158-M219 HydrophobicContact CD1-SD 3.66Å; I158-M219 HydrophobicContact CG1-SD 4.09Å; I158-M219 HydrophobicContact CG2-CE 3.78Å; I158-M219 HydrophobicContact CG2-SD 4.28Å; I158-M219 CarbonylContact O-C 3.56Å; K217-M219 HydrophobicContact CB-SD 4.26Å; M219-V221 VanDerWaalsContact C-N 3.34Å; M219-V221 PolarHBondContact O-N 3.13Å; M219-G222 PolarHBondContact O-N 2.94Å; M219-Q223 PolarHBondContact O-N 3.03Å; M219-S224 WeakPolarHBondContact CB-O 3.39Å; M219-S224 VanDerWaalsContact CB-OG 3.31Å; M219-S224 WeakPolarHBondContact CB-OG 3.47Å; M219-S224 PolarHBondContact N-O 2.91Å; M219-S224 PolarHBondContact O-N 3.34Å
220	D	89.4	Confident	95.1	Very high	37 Å²	37	53 Å²	53	20%	0.198	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	45.6	56.1	171.7	-60.1	-45.6	0	0	0	112.8	I158 C159 V160 G222 Q223	I158-D220 PolarHBondContact O-N 3.08Å; C159-D220 WeakPolarHBondContact CA-OD1 3.48Å; V160-D220 WeakPolarHBondContact CG2-OD1 3.15Å; V160-D220 PolarHBondContact N-OD1 3.33Å; D220-G222 PolarHBondContact O-N 3.44Å; D220-Q223 HydrophobicContact CB-CB 4.29Å; D220-Q223 HydrophobicContact CB-CG 4.34Å; D220-Q223 VanDerWaalsContact O-CG 3.3Å; D220-Q223 WeakPolarHBondContact O-CG 3.36Å; D220-Q223 PolarHBondContact O-N 2.92Å
221	V	86	Confident	94.8	Very high	54 Å²	54	55.2 Å²	55.2	33%	0.327	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	62.5	30.1	174.9	-152.4	0	0	0	0	113.4	V164 M219 V247	V164-V221 HydrophobicContact CB-CG2 4.43Å; V164-V221 HydrophobicContact CG1-CG2 3.63Å; V164-V221 HydrophobicContact CG2-CG2 4.13Å; M219-V221 VanDerWaalsContact C-N 3.34Å; M219-V221 PolarHBondContact O-N 3.13Å; V221-V247 HydrophobicContact CG1-CB 4.21Å; V221-V247 HydrophobicContact CG1-CG1 3.81Å; V221-V247 HydrophobicContact CG1-CG2 3.33Å
222	G	88.8	Confident	94.7	Very high	20 Å²	20	49.5 Å²	49.5	21%	0.206	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	95.5	17.3	175.3	0	0	0	0	0	114.6	M219 D220 Y225	M219-G222 PolarHBondContact O-N 2.94Å; D220-G222 PolarHBondContact O-N 3.44Å; G222-Y225 WeakPolarHBondContact CA-OH 3.38Å; G222-Y225 VanDerWaalsContact O-CE2 3.25Å; G222-Y225 WeakPolarHBondContact O-CE2 3.2Å; G222-Y225 PolarHBondContact O-OH 3.31Å
223	Q	89.5	Confident	94.6	Very high	158 Å²	158	50.9 Å²	50.9	74%	0.738	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-36.6	171.9	-75.4	-179.1	18.4	0	0	112.4	M219 D220	M219-Q223 PolarHBondContact O-N 3.03Å; D220-Q223 HydrophobicContact CB-CB 4.29Å; D220-Q223 HydrophobicContact CB-CG 4.34Å; D220-Q223 VanDerWaalsContact O-CG 3.3Å; D220-Q223 WeakPolarHBondContact O-CG 3.36Å; D220-Q223 PolarHBondContact O-N 2.92Å
224	S	94.2	Very high	94.4	Very high	61 Å²	61	50.9 Å²	50.9	43%	0.427	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	159.6	173.2	64.9	0	0	0	0	111.8	M219	M219-S224 WeakPolarHBondContact CB-O 3.39Å; M219-S224 VanDerWaalsContact CB-OG 3.31Å; M219-S224 WeakPolarHBondContact CB-OG 3.47Å; M219-S224 PolarHBondContact N-O 2.91Å; M219-S224 PolarHBondContact O-N 3.34Å
225	Y	95.9	Very high	94.3	Very high	60 Å²	60	50 Å²	50	24%	0.235	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.6	-175.2	-55.2	-91.8	0	0	0	110.3	I216 K217 I218 G222 L242 M243	I216-Y225 HydrophobicContact CD1-CD1 3.99Å; I216-Y225 HydrophobicContact CG1-CD1 4.47Å; K217-Y225 VanDerWaalsContact O-CA 3.26Å; K217-Y225 WeakPolarHBondContact O-CA 3.4Å; I218-Y225 HydrophobicContact CB-CD1 4.41Å; I218-Y225 HydrophobicContact CB-CE1 4.39Å; I218-Y225 HydrophobicContact CG1-CD1 4.02Å; I218-Y225 HydrophobicContact CG1-CE1 4.06Å; I218-Y225 HydrophobicContact CG2-CD1 4.33Å; I218-Y225 HydrophobicContact CG2-CE1 3.88Å; G222-Y225 WeakPolarHBondContact CA-OH 3.38Å; G222-Y225 VanDerWaalsContact O-CE2 3.25Å; G222-Y225 WeakPolarHBondContact O-CE2 3.2Å; G222-Y225 PolarHBondContact O-OH 3.31Å; Y225-L242 PolarHBondContact OH-O 3.43Å; Y225-M243 HydrophobicContact CD1-CG 4.11Å; Y225-M243 HydrophobicContact CD2-CE 4.48Å; Y225-M243 HydrophobicContact CD2-CG 4.17Å; Y225-M243 HydrophobicContact CE1-CG 4.13Å; Y225-M243 HydrophobicContact CE2-CG 4.23Å; Y225-M243 HydrophobicContact CG-CG 4.13Å
226	V	96.9	Very high	94.2	Very high	43 Å²	43	53 Å²	53	26%	0.261	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.1	165.9	-178.5	0	0	0	0	107.4	E207 Y215 I216 K217	E207-V226 HydrophobicContact CG-CG1 4.47Å; Y215-V226 HydrophobicContact CE2-CG1 4.2Å; I216-V226 CarbonylContact C-O 3.55Å; I216-V226 VanDerWaalsContact CA-O 3.29Å; I216-V226 WeakPolarHBondContact CA-O 3.35Å; K217-V226 HydrophobicContact CB-CB 4.11Å; K217-V226 HydrophobicContact CD-CB 4.27Å; K217-V226 HydrophobicContact CG-CB 4.34Å; K217-V226 PolarHBondContact N-O 3.36Å; K217-V226 PolarHBondContact O-N 2.91Å
227	V	97.8	Very high	94	Very high	59 Å²	59	55.8 Å²	55.8	36%	0.358	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.1	-178.8	-177.3	0	0	0	0	108.8	Y215 I216 V230 V239	Y215-V227 WeakPolarHBondContact O-CA 3.2Å; I216-V227 HydrophobicContact CB-CG2 4.42Å; I216-V227 HydrophobicContact CD1-CG2 4.15Å; I216-V227 HydrophobicContact CG1-CG2 3.99Å; V227-V230 HydrophobicContact CG1-CG2 3.41Å; V227-V230 VanDerWaalsContact CG1-CG2 3.41Å; V227-V239 HydrophobicContact CG1-CG1 4.33Å; V227-V239 HydrophobicContact CG1-CG2 4Å; V227-V239 HydrophobicContact CG2-CG1 3.87Å
228	N	98.1	Very high	94	Very high	37 Å²	37	54.4 Å²	54.4	20%	0.198	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.4	179.6	-170.6	50.9	0	0	0	111.5	R211 L213 S214 Y215 V230	R211-N228 PolarHBondContact O-ND2 3.21Å; L213-N228 PolarHBondContact O-ND2 3.04Å; S214-N228 WeakPolarHBondContact CA-O 3.07Å; Y215-N228 HydrophobicContact CD1-CB 3.74Å; Y215-N228 HydrophobicContact CD2-CB 4.04Å; Y215-N228 HydrophobicContact CE1-CB 3.36Å; Y215-N228 WeakPolarHBondContact CE1-ND2 3.36Å; Y215-N228 HydrophobicContact CE2-CB 3.68Å; Y215-N228 HydrophobicContact CG-CB 4.06Å; Y215-N228 PolarHBondContact N-O 3.48Å; Y215-N228 PolarHBondContact O-N 2.94Å; N228-V230 PolarHBondContact O-N 2.89Å
229	R	96.4	Very high	94	Very high	133 Å²	133	54.7 Å²	54.7	50%	0.502	29%	0.294	S	S	.	.			trans	41.3	61.3	172.3	-69	-166.4	172.2	-170.2	8.8	115.8	R211 D212 S214 A231	R211-R229 WeakPolarHBondContact O-CD 3.46Å; R211-R229 PolarHBondContact O-NE 3.39Å; D212-R229 IonicContact OD1-CZ 3.49Å; D212-R229 IonicContact OD1-NH1 2.66Å; D212-R229 PolarHBondContact OD1-NH1 3.12Å; D212-R229 IonicContact OD1-NH2 3.47Å; D212-R229 PolarHBondContact OD1-NH2 3.35Å; S214-R229 WeakPolarHBondContact CB-O 3.15Å; S214-R229 PolarHBondContact OG-O 2.9Å; R229-A231 PolarHBondContact O-N 3.32Å; R229-A231 VanDerWaalsContact O-N 3.12Å
230	V	95.7	Very high	94.1	Very high	62 Å²	62	57.8 Å²	57.8	38%	0.376	31%	0.305	S	S	.	.			trans	-63.8	113.3	171.1	-177.3	0	0	0	0	109.6	V227 N228 Q235 V239	V227-V230 HydrophobicContact CG1-CG2 3.41Å; V227-V230 VanDerWaalsContact CG1-CG2 3.41Å; N228-V230 PolarHBondContact O-N 2.89Å; V230-Q235 HydrophobicContact CG1-CB 3.81Å; V230-V239 HydrophobicContact CG2-CG2 4.28Å
231	A	92.3	Very high	94.5	Very high	62 Å²	62	56 Å²	56	51%	0.512	30%	0.295	S	S	.	.			trans	-89.1	-21.8	-168.7	0	0	0	0	0	114	R229	R229-A231 PolarHBondContact O-N 3.32Å; R229-A231 VanDerWaalsContact O-N 3.12Å
232	D	93.3	Very high	95	Very high	34 Å²	34	53.5 Å²	53.5	18%	0.182	28%	0.28	C	S	.	.	S	Bend	trans	-158.3	180	-177.8	62.5	30.2	0	0	0	113.6	K151 I234 Q235 S236	K151-D232 WeakPolarHBondContact CD-OD2 3.29Å; K151-D232 IonicContact NZ-OD2 3.26Å; K151-D232 PolarHBondContact NZ-OD2 3.38Å; D232-I234 WeakPolarHBondContact OD1-CG2 3.18Å; D232-I234 PolarHBondContact OD1-N 2.87Å; D232-I234 VanDerWaalsContact OD1-N 3.11Å; D232-Q235 PolarHBondContact O-N 3.23Å; D232-Q235 WeakPolarHBondContact OD1-CB 3.32Å; D232-Q235 WeakPolarHBondContact OD1-CG 3.29Å; D232-Q235 PolarHBondContact OD1-N 3.44Å; D232-S236 WeakPolarHBondContact O-CB 3.41Å; D232-S236 PolarHBondContact O-N 3.21Å
233	H	92.4	Very high	95.2	Very high	118 Å²	118	57 Å²	57	55%	0.546	29%	0.292	S	S	.	.	H	α-helix	trans	-66.2	-33	179.9	164.5	-95.8	0	0	0	113.4	S236 R237	H233-S236 PolarHBondContact O-N 3.38Å; H233-R237 VanDerWaalsContact CE1-CZ 3.43Å; H233-R237 PolarHBondContact CE1-NE 2.92Å; H233-R237 PolarHBondContact CE1-NH2 3.28Å; H233-R237 VanDerWaalsContact NE2-CZ 3.35Å; H233-R237 PolarHBondContact NE2-NE 3.03Å; H233-R237 PolarHBondContact NE2-NH2 2.86Å; H233-R237 WeakPolarHBondContact O-CG 3.49Å; H233-R237 PolarHBondContact O-N 2.55Å
234	I	93.2	Very high	95.4	Very high	28 Å²	28	51 Å²	51	14%	0.144	27%	0.265	C	S	.	.	H	α-helix	trans	-69.4	-42.2	178.4	-167.7	64.5	0	0	0	110.4	L63 V68 V125 D232 S236 R237 I238	L63-I234 HydrophobicContact CD2-CD1 3.79Å; V68-I234 HydrophobicContact CG1-CD1 4.22Å; V68-I234 HydrophobicContact CG2-CD1 4.12Å; V125-I234 HydrophobicContact CG2-CG1 4.21Å; D232-I234 WeakPolarHBondContact OD1-CG2 3.18Å; D232-I234 PolarHBondContact OD1-N 2.87Å; D232-I234 VanDerWaalsContact OD1-N 3.11Å; I234-S236 VanDerWaalsContact C-N 3.35Å; I234-S236 PolarHBondContact O-N 3.24Å; I234-R237 PolarHBondContact O-N 3.39Å; I234-I238 HydrophobicContact CG1-CD1 4.17Å; I234-I238 WeakPolarHBondContact O-CD1 3.3Å; I234-I238 WeakPolarHBondContact O-CG1 3.41Å; I234-I238 PolarHBondContact O-N 3.38Å
235	Q	95.8	Very high	95.3	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-62.8	-41.4	173.3	-67.4	-178.3	6.7	0	0	111.6	F153 V230 D232 R237 I238 V239	F153-Q235 HydrophobicContact CB-CG 4.13Å; F153-Q235 HydrophobicContact CD2-CB 4.25Å; F153-Q235 HydrophobicContact CD2-CG 3.84Å; F153-Q235 HydrophobicContact CE2-CB 4.34Å; F153-Q235 HydrophobicContact CE2-CG 4.42Å; F153-Q235 HydrophobicContact CG-CG 3.92Å; V230-Q235 HydrophobicContact CG1-CB 3.81Å; D232-Q235 PolarHBondContact O-N 3.23Å; D232-Q235 WeakPolarHBondContact OD1-CB 3.32Å; D232-Q235 WeakPolarHBondContact OD1-CG 3.29Å; D232-Q235 PolarHBondContact OD1-N 3.44Å; Q235-R237 VanDerWaalsContact C-N 3.35Å; Q235-R237 PolarHBondContact O-N 2.77Å; Q235-I238 PolarHBondContact O-N 3.09Å; Q235-V239 WeakPolarHBondContact O-CG2 3.41Å; Q235-V239 PolarHBondContact O-N 2.91Å
236	S	96.2	Very high	94.8	Very high	63 Å²	63	47.6 Å²	47.6	44%	0.441	25%	0.245	S	C	.	.	H	α-helix	trans	-59.8	-43.3	175	179.9	0	0	0	0	112.2	D232 H233 I234 V239 Y240	D232-S236 WeakPolarHBondContact O-CB 3.41Å; D232-S236 PolarHBondContact O-N 3.21Å; H233-S236 PolarHBondContact O-N 3.38Å; I234-S236 VanDerWaalsContact C-N 3.35Å; I234-S236 PolarHBondContact O-N 3.24Å; S236-V239 PolarHBondContact O-N 2.93Å; S236-Y240 WeakPolarHBondContact O-CB 3.29Å; S236-Y240 PolarHBondContact O-N 2.89Å
237	R	94.9	Very high	94	Very high	60 Å²	60	49 Å²	49	23%	0.226	25%	0.254	C	S	.	.	H	α-helix	trans	-65.4	-39.4	174.2	-72.3	-156.3	-164.5	-146.8	9.9	113.2	H233 I234 Q235 Y240 Y241 E374	H233-R237 VanDerWaalsContact CE1-CZ 3.43Å; H233-R237 PolarHBondContact CE1-NE 2.92Å; H233-R237 PolarHBondContact CE1-NH2 3.28Å; H233-R237 VanDerWaalsContact NE2-CZ 3.35Å; H233-R237 PolarHBondContact NE2-NE 3.03Å; H233-R237 PolarHBondContact NE2-NH2 2.86Å; H233-R237 WeakPolarHBondContact O-CG 3.49Å; H233-R237 PolarHBondContact O-N 2.55Å; I234-R237 PolarHBondContact O-N 3.39Å; Q235-R237 VanDerWaalsContact C-N 3.35Å; Q235-R237 PolarHBondContact O-N 2.77Å; R237-Y240 PolarHBondContact O-N 3.34Å; R237-Y241 WeakPolarHBondContact O-CB 3.37Å; R237-Y241 PolarHBondContact O-N 3.23Å; R237-E374 IonicContact CZ-OE1 3.84Å; R237-E374 IonicContact CZ-OE2 3.76Å; R237-E374 IonicContact NH1-OE1 2.73Å; R237-E374 PolarHBondContact NH1-OE1 2.68Å; R237-E374 IonicContact NH1-OE2 3.06Å; R237-E374 PolarHBondContact NH1-OE2 3.19Å
238	I	96.7	Very high	93.3	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-48.5	175.5	-68.3	157.2	0	0	0	109.6	I42 L59 L63 F153 I234 Q235 Y240 Y241 L242	I42-I238 HydrophobicContact CD1-CD1 3.49Å; I42-I238 VanDerWaalsContact CD1-CD1 3.49Å; I42-I238 HydrophobicContact CD1-CG1 4.26Å; I42-I238 HydrophobicContact CG1-CD1 4.31Å; L59-I238 HydrophobicContact CD1-CB 4.38Å; L59-I238 HydrophobicContact CD1-CG1 4.11Å; L59-I238 HydrophobicContact CD1-CG2 3.98Å; L59-I238 HydrophobicContact CD2-CG1 4.5Å; L59-I238 HydrophobicContact CD2-CG2 3.85Å; L63-I238 HydrophobicContact CD1-CG1 4.43Å; L63-I238 HydrophobicContact CD2-CG1 4.45Å; F153-I238 HydrophobicContact CD1-CG2 4.23Å; F153-I238 HydrophobicContact CE1-CB 4.36Å; F153-I238 HydrophobicContact CE1-CG2 3.7Å; I234-I238 HydrophobicContact CG1-CD1 4.17Å; I234-I238 WeakPolarHBondContact O-CD1 3.3Å; I234-I238 WeakPolarHBondContact O-CG1 3.41Å; I234-I238 PolarHBondContact O-N 3.38Å; Q235-I238 PolarHBondContact O-N 3.09Å; I238-Y240 PolarHBondContact O-N 3.47Å; I238-Y241 PolarHBondContact O-N 2.92Å; I238-L242 HydrophobicContact CG2-CD1 3.63Å; I238-L242 HydrophobicContact CG2-CG 4.23Å; I238-L242 WeakPolarHBondContact O-CB 3.33Å; I238-L242 WeakPolarHBondContact O-CG 3.37Å; I238-L242 PolarHBondContact O-N 2.86Å
239	V	97.2	Very high	92.6	Very high	15 Å²	15	52.9 Å²	52.9	9%	0.091	28%	0.281	C	S	.	.	H	α-helix	trans	-57.9	-50.1	176.2	170	0	0	0	0	110.6	F153 I216 V227 V230 Q235 S236 Y241 L242 M243	F153-V239 HydrophobicContact CZ-CG2 3.77Å; I216-V239 HydrophobicContact CB-CG2 4.47Å; I216-V239 HydrophobicContact CD1-CG1 4.24Å; I216-V239 HydrophobicContact CD1-CG2 4.3Å; V227-V239 HydrophobicContact CG1-CG1 4.33Å; V227-V239 HydrophobicContact CG1-CG2 4Å; V227-V239 HydrophobicContact CG2-CG1 3.87Å; V230-V239 HydrophobicContact CG2-CG2 4.28Å; Q235-V239 WeakPolarHBondContact O-CG2 3.41Å; Q235-V239 PolarHBondContact O-N 2.91Å; S236-V239 PolarHBondContact O-N 2.93Å; V239-Y241 VanDerWaalsContact C-N 3.34Å; V239-Y241 PolarHBondContact O-N 3.33Å; V239-L242 PolarHBondContact O-N 3.49Å; V239-M243 HydrophobicContact CG1-CG 4.4Å; V239-M243 HydrophobicContact CG1-SD 3.73Å; V239-M243 VanDerWaalsContact O-CG 3.27Å; V239-M243 WeakPolarHBondContact O-CG 3.26Å; V239-M243 PolarHBondContact O-N 3.29Å
240	Y	96.4	Very high	92.4	Very high	108 Å²	108	47.1 Å²	47.1	42%	0.424	26%	0.259	S	S	.	.	H	α-helix	trans	-57	-45.4	178.2	172.2	-121.1	0	0	0	112.4	S236 R237 I238 M243 N244 M378	S236-Y240 WeakPolarHBondContact O-CB 3.29Å; S236-Y240 PolarHBondContact O-N 2.89Å; R237-Y240 PolarHBondContact O-N 3.34Å; I238-Y240 PolarHBondContact O-N 3.47Å; Y240-M243 PolarHBondContact O-N 3.31Å; Y240-N244 WeakPolarHBondContact CD2-ND2 3.38Å; Y240-N244 WeakPolarHBondContact CE2-ND2 3.05Å; Y240-N244 PolarHBondContact O-N 3.29Å; Y240-N244 PolarHBondContact O-ND2 3.04Å; Y240-M378 HydrophobicContact CD1-CG 4.47Å; Y240-M378 HydrophobicContact CD1-SD 4.06Å; Y240-M378 HydrophobicContact CE1-CB 4.34Å; Y240-M378 HydrophobicContact CE1-CG 3.52Å; Y240-M378 HydrophobicContact CE1-SD 3.66Å
241	Y	96.9	Very high	92.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.9	-48.8	176.4	179	-107.5	0	0	0	111.9	K58 L59 Y62 R237 I238 V239 M243 N244 I245 M378 E381 Y401	K58-Y241 HydrophobicContact CB-CE1 4.32Å; K58-Y241 PolarHBondContact O-OH 3.02Å; L59-Y241 HydrophobicContact CB-CE1 4.49Å; L59-Y241 HydrophobicContact CD1-CD1 3.65Å; L59-Y241 HydrophobicContact CD1-CE1 4.22Å; L59-Y241 HydrophobicContact CD1-CG 4.49Å; Y62-Y241 AromaticContact CD1-CD1 3.99Å; Y62-Y241 HydrophobicContact CD1-CD1 3.99Å; Y62-Y241 AromaticContact CD1-CD2 3.75Å; Y62-Y241 HydrophobicContact CD1-CD2 3.75Å; Y62-Y241 HydrophobicContact CD1-CE1 4.41Å; Y62-Y241 HydrophobicContact CD1-CE2 4.18Å; Y62-Y241 AromaticContact CD1-CG 3.61Å; Y62-Y241 HydrophobicContact CD1-CG 3.61Å; Y62-Y241 AromaticContact CD2-CD2 3.97Å; Y62-Y241 HydrophobicContact CD2-CD2 3.97Å; Y62-Y241 HydrophobicContact CD2-CE2 4.02Å; Y62-Y241 HydrophobicContact CE1-CD2 4.11Å; Y62-Y241 AromaticContact CE1-CG 3.94Å; Y62-Y241 HydrophobicContact CE1-CG 3.94Å; Y62-Y241 HydrophobicContact CE2-CD2 4.34Å; Y62-Y241 HydrophobicContact CG-CD1 4.38Å; Y62-Y241 AromaticContact CG-CD2 3.66Å; Y62-Y241 HydrophobicContact CG-CD2 3.66Å; Y62-Y241 HydrophobicContact CG-CE1 4.41Å; Y62-Y241 AromaticContact CG-CE2 3.68Å; Y62-Y241 HydrophobicContact CG-CE2 3.68Å; Y62-Y241 AromaticContact CG-CG 4Å; Y62-Y241 HydrophobicContact CG-CG 4Å; R237-Y241 WeakPolarHBondContact O-CB 3.37Å; R237-Y241 PolarHBondContact O-N 3.23Å; I238-Y241 PolarHBondContact O-N 2.92Å; V239-Y241 VanDerWaalsContact C-N 3.34Å; V239-Y241 PolarHBondContact O-N 3.33Å; Y241-M243 PolarHBondContact O-N 3.42Å; Y241-N244 PolarHBondContact O-N 3.04Å; Y241-I245 HydrophobicContact CD1-CG2 4.28Å; Y241-I245 HydrophobicContact CD2-CG2 4.3Å; Y241-I245 HydrophobicContact CE1-CG2 3.81Å; Y241-I245 HydrophobicContact CE2-CG2 3.86Å; Y241-I245 PolarHBondContact O-N 3.26Å; Y241-M378 HydrophobicContact CD2-CE 3.56Å; Y241-M378 HydrophobicContact CD2-SD 3.9Å; Y241-M378 HydrophobicContact CE2-CE 4Å; Y241-E381 HydrophobicContact CE2-CG 4.18Å; Y241-Y401 PolarHBondContact OH-OH 3.23Å
242	L	95.7	Very high	92.6	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-62.8	-29.2	-178.6	-68.1	172.8	0	0	0	112.7	I55 V155 I216 I218 Y225 I238 V239 N244 I245	I55-L242 HydrophobicContact CG2-CD2 3.49Å; I55-L242 VanDerWaalsContact CG2-CD2 3.49Å; V155-L242 HydrophobicContact CG1-CD1 3.97Å; V155-L242 HydrophobicContact CG2-CD1 4.13Å; I216-L242 HydrophobicContact CD1-CB 4.22Å; I216-L242 HydrophobicContact CD1-CD1 4.29Å; I216-L242 HydrophobicContact CG2-CD1 3.89Å; I218-L242 HydrophobicContact CD1-CB 4.28Å; I218-L242 HydrophobicContact CD1-CD1 4.25Å; I218-L242 HydrophobicContact CD1-CD2 4.26Å; I218-L242 HydrophobicContact CD1-CG 4.49Å; Y225-L242 PolarHBondContact OH-O 3.43Å; I238-L242 HydrophobicContact CG2-CD1 3.63Å; I238-L242 HydrophobicContact CG2-CG 4.23Å; I238-L242 WeakPolarHBondContact O-CB 3.33Å; I238-L242 WeakPolarHBondContact O-CG 3.37Å; I238-L242 PolarHBondContact O-N 2.86Å; V239-L242 PolarHBondContact O-N 3.49Å; L242-N244 VanDerWaalsContact C-N 3.34Å; L242-I245 HydrophobicContact CD2-CD1 3.98Å; L242-I245 WeakPolarHBondContact O-CG1 3.4Å
243	M	94.7	Very high	92.9	Very high	95 Å²	95	40.9 Å²	40.9	47%	0.468	22%	0.216	S	C	.	.	H	α-helix	trans	-76.5	-16.8	175.7	-69.9	176	71.8	0	0	114.1	Y225 V239 Y240 Y241	Y225-M243 HydrophobicContact CD1-CG 4.11Å; Y225-M243 HydrophobicContact CD2-CE 4.48Å; Y225-M243 HydrophobicContact CD2-CG 4.17Å; Y225-M243 HydrophobicContact CE1-CG 4.13Å; Y225-M243 HydrophobicContact CE2-CG 4.23Å; Y225-M243 HydrophobicContact CG-CG 4.13Å; V239-M243 HydrophobicContact CG1-CG 4.4Å; V239-M243 HydrophobicContact CG1-SD 3.73Å; V239-M243 VanDerWaalsContact O-CG 3.27Å; V239-M243 WeakPolarHBondContact O-CG 3.26Å; V239-M243 PolarHBondContact O-N 3.29Å; Y240-M243 PolarHBondContact O-N 3.31Å; Y241-M243 PolarHBondContact O-N 3.42Å
244	N	93.8	Very high	93.2	Very high	30 Å²	30	35.2 Å²	35.2	16%	0.16	19%	0.19	C	C	.	.	H	α-helix	trans	-102.7	-14.4	-178.8	-76	-77.7	0	0	0	113.8	Y240 Y241 L242 E381 R382	Y240-N244 WeakPolarHBondContact CD2-ND2 3.38Å; Y240-N244 WeakPolarHBondContact CE2-ND2 3.05Å; Y240-N244 PolarHBondContact O-N 3.29Å; Y240-N244 PolarHBondContact O-ND2 3.04Å; Y241-N244 PolarHBondContact O-N 3.04Å; L242-N244 VanDerWaalsContact C-N 3.34Å; N244-E381 CarbonylContact O-C 3.59Å; N244-E381 VanDerWaalsContact O-C 3.25Å; N244-E381 VanDerWaalsContact O-O 3.12Å; N244-R382 VanDerWaalsContact O-CA 3.27Å; N244-R382 WeakPolarHBondContact O-CA 3.39Å; N244-R382 PolarHBondContact O-N 2.66Å
245	I	91.2	Very high	93.4	Very high	18 Å²	18	33.9 Å²	33.9	9%	0.092	18%	0.183	C	C	.	.			trans	-80.1	145.7	178.1	61.2	171.5	0	0	0	111.4	K58 Y241 L242 E381	K58-I245 HydrophobicContact CD-CG2 4.45Å; Y241-I245 HydrophobicContact CD1-CG2 4.28Å; Y241-I245 HydrophobicContact CD2-CG2 4.3Å; Y241-I245 HydrophobicContact CE1-CG2 3.81Å; Y241-I245 HydrophobicContact CE2-CG2 3.86Å; Y241-I245 PolarHBondContact O-N 3.26Å; L242-I245 HydrophobicContact CD2-CD1 3.98Å; L242-I245 WeakPolarHBondContact O-CG1 3.4Å; I245-E381 HydrophobicContact CG2-CB 4.13Å; I245-E381 HydrophobicContact CG2-CG 4.22Å
246	H	85.1	Confident	93.6	Very high	33 Å²	33	34.1 Å²	34.1	15%	0.153	18%	0.184	C	C	.	.			trans	-136.4	164.2	167.4	65.8	98.5	0	0	0	111.3	Y54 T248 R250 E381 R382 Q383	Y54-H246 PolarHBondContact OH-O 3.4Å; Y54-H246 VanDerWaalsContact OH-O 3.09Å; H246-T248 PolarHBondContact CE1-OG1 3.34Å; H246-T248 PolarHBondContact ND1-N 3.26Å; H246-T248 PolarHBondContact ND1-OG1 2.79Å; H246-R250 VanDerWaalsContact CE1-CZ 3.43Å; H246-R250 PolarHBondContact CE1-NH1 3.1Å; H246-R250 PolarHBondContact ND1-NH1 3.4Å; H246-R250 VanDerWaalsContact NE2-CZ 3.27Å; H246-R250 PolarHBondContact NE2-NH1 3.36Å; H246-R250 PolarHBondContact O-NH1 2.99Å; H246-E381 PolarHBondContact CD2-O 3.09Å; H246-E381 PolarHBondContact NE2-O 3.49Å; H246-R382 PolarHBondContact CD2-O 3.2Å; H246-R382 PolarHBondContact NE2-O 3.14Å; H246-Q383 PolarHBondContact NE2-O 3.22Å; H246-Q383 VanDerWaalsContact NE2-O 3.09Å
247	V	80.8	Confident	93.7	Very high	73 Å²	73	31.3 Å²	31.3	44%	0.442	16%	0.164	S	C	.	.			trans	-101.9	-3.4	-178.7	-54.7	0	0	0	0	113.7	Y54 V221	Y54-V247 HydrophobicContact CD1-CG1 4.32Å; Y54-V247 HydrophobicContact CE1-CG1 3.7Å; V221-V247 HydrophobicContact CG1-CB 4.21Å; V221-V247 HydrophobicContact CG1-CG1 3.81Å; V221-V247 HydrophobicContact CG1-CG2 3.33Å
248	T	81.9	Confident	93.9	Very high	59 Å²	59	28.5 Å²	28.5	36%	0.362	15%	0.153	S	C	.	.	S	Bend	trans	-60.8	132.6	-177.8	62.9	0	0	0	0	110.3	H246 R250 E384	H246-T248 PolarHBondContact CE1-OG1 3.34Å; H246-T248 PolarHBondContact ND1-N 3.26Å; H246-T248 PolarHBondContact ND1-OG1 2.79Å; T248-R250 PolarHBondContact O-N 3.28Å; T248-E384 PolarHBondContact OG1-OE1 3.21Å
249	P	84.2	Confident	94	Very high	118 Å²	118	28.5 Å²	28.5	77%	0.766	15%	0.153	S	C	*	.			trans	-58.3	133.8	177	-23.7	33.5	0	0	0	110.9
250	R	92.2	Very high	94	Very high	12 Å²	12	27.9 Å²	27.9	5%	0.045	15%	0.15	C	C	.	.			trans	-155.8	165.3	-176	63.5	179.5	-177.6	-90.1	22.5	112.3	H246 T248 L380 E381 Q383 E384 P425	H246-R250 VanDerWaalsContact CE1-CZ 3.43Å; H246-R250 PolarHBondContact CE1-NH1 3.1Å; H246-R250 PolarHBondContact ND1-NH1 3.4Å; H246-R250 VanDerWaalsContact NE2-CZ 3.27Å; H246-R250 PolarHBondContact NE2-NH1 3.36Å; H246-R250 PolarHBondContact O-NH1 2.99Å; T248-R250 PolarHBondContact O-N 3.28Å; R250-L380 PolarHBondContact NH2-O 3.35Å; R250-E381 PolarHBondContact NH2-O 3.01Å; R250-E381 IonicContact NH2-OE2 3.6Å; R250-E381 PolarHBondContact NH2-OE2 2.79Å; R250-Q383 WeakPolarHBondContact CD-O 3.24Å; R250-Q383 PolarHBondContact NE-O 3.26Å; R250-E384 HydrophobicContact CB-CB 4.23Å; R250-E384 WeakPolarHBondContact CB-O 3.41Å; R250-E384 WeakPolarHBondContact CD-O 3.4Å; R250-P425 HydrophobicContact CG-CG 4.44Å; R250-P425 WeakPolarHBondContact O-CD 3.36Å
251	S	94.8	Very high	94.1	Very high	20 Å²	20	26.2 Å²	26.2	14%	0.14	15%	0.146	C	C	.	.			trans	-121.2	130.4	174.5	-62.9	0	0	0	0	111.7	N385 V386 L423	S251-N385 PolarHBondContact N-OD1 2.74Å; S251-N385 WeakPolarHBondContact O-CA 3.46Å; S251-V386 PolarHBondContact O-N 3.36Å; S251-L423 WeakPolarHBondContact CA-O 3.49Å
252	I	97.4	Very high	94.1	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	-109.2	122.8	172.3	-60.2	168.2	0	0	0	107.6	L254 L380 V386 F402 L423 P425	I252-L254 HydrophobicContact CG2-CD2 3.96Å; I252-L254 HydrophobicContact CG2-CG 4.34Å; I252-L380 HydrophobicContact CD1-CB 4.5Å; I252-L380 HydrophobicContact CG2-CD2 4.21Å; I252-V386 CarbonylContact C-O 3.21Å; I252-V386 WeakPolarHBondContact CA-O 3.31Å; I252-F402 HydrophobicContact CD1-CE1 3.59Å; I252-F402 HydrophobicContact CD1-CE2 4.31Å; I252-F402 HydrophobicContact CD1-CZ 3.47Å; I252-F402 VanDerWaalsContact CD1-CZ 3.47Å; I252-L423 HydrophobicContact CB-CB 4.13Å; I252-L423 HydrophobicContact CG2-CD1 4.49Å; I252-L423 PolarHBondContact N-O 2.79Å; I252-L423 WeakPolarHBondContact O-CA 3.45Å; I252-L423 WeakPolarHBondContact O-CB 3.36Å; I252-L423 PolarHBondContact O-N 3.13Å; I252-P425 HydrophobicContact CD1-CG 4.44Å
253	Y	98.5	Very high	94.2	Very high	6 Å²	6	28.1 Å²	28.1	2%	0.024	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.2	177.4	-58.2	-93.5	0	0	0	108.7	F288 I294 V386 L387 V388 V420 L421 K422	Y253-F288 HydrophobicContact CD1-CE1 4.26Å; Y253-F288 HydrophobicContact CE1-CE1 4.3Å; Y253-F288 HydrophobicContact CE1-CZ 4.44Å; Y253-I294 HydrophobicContact CD2-CD1 4.27Å; Y253-I294 HydrophobicContact CE1-CD1 4.44Å; Y253-I294 HydrophobicContact CE2-CD1 3.44Å; Y253-I294 VanDerWaalsContact CE2-CD1 3.44Å; Y253-I294 HydrophobicContact CE2-CG1 4.4Å; Y253-I294 WeakPolarHBondContact OH-CD1 3.27Å; Y253-V386 PolarHBondContact N-O 3.42Å; Y253-L387 CarbonylContact O-C 3.54Å; Y253-L387 WeakPolarHBondContact O-CA 3.31Å; Y253-V388 PolarHBondContact O-N 3.31Å; Y253-V420 HydrophobicContact CD1-CG1 3.92Å; Y253-L421 WeakPolarHBondContact CA-O 3.36Å; Y253-K422 HydrophobicContact CD1-CB 4.02Å; Y253-K422 HydrophobicContact CD1-CG 4.11Å; Y253-K422 HydrophobicContact CE1-CB 4Å; Y253-K422 HydrophobicContact CE1-CD 3.84Å; Y253-K422 HydrophobicContact CE1-CG 3.69Å
254	L	98.7	Very high	94.3	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.4	174	-58.6	-175.5	0	0	0	109.2	I252 V388 M395 L398 L421 L423	I252-L254 HydrophobicContact CG2-CD2 3.96Å; I252-L254 HydrophobicContact CG2-CG 4.34Å; L254-V388 HydrophobicContact CD2-CB 3.7Å; L254-V388 HydrophobicContact CD2-CG1 4.47Å; L254-V388 HydrophobicContact CD2-CG2 3.96Å; L254-M395 HydrophobicContact CB-CE 3.88Å; L254-M395 HydrophobicContact CB-CG 4.33Å; L254-M395 WeakPolarHBondContact O-CE 3.1Å; L254-L398 HydrophobicContact CD1-CB 4.08Å; L254-L398 HydrophobicContact CD2-CD1 4.21Å; L254-L421 HydrophobicContact CB-CB 4.48Å; L254-L421 PolarHBondContact N-O 3.34Å; L254-L421 PolarHBondContact O-N 3.21Å; L254-L423 HydrophobicContact CD1-CD1 3.57Å; L254-L423 HydrophobicContact CD1-CG 4.48Å; L254-L423 HydrophobicContact CG-CD1 3.95Å
255	C	98.8	Very high	94.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	163.4	166.8	68.7	0	0	0	0	110.7	F281 V388 I389 C390 V420	C255-F281 HydrophobicContact CB-CZ 4.4Å; C255-V388 PolarHBondContact N-O 3.34Å; C255-V388 VanDerWaalsContact O-O 3.12Å; C255-I389 WeakPolarHBondContact O-CA 3.37Å; C255-C390 PolarHBondContact O-N 3.43Å; C255-V420 HydrophobicContact CB-CG2 4.21Å
256	R	98.8	Very high	94.6	Very high	6 Å²	6	30 Å²	30	2%	0.023	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	162.7	168.1	-69.4	167.8	59.2	-180	0.2	109.6	C390 M395 C415 L417 T444	R256-C390 CarbonylContact C-O 3.52Å; R256-C390 VanDerWaalsContact CA-O 3.31Å; R256-C390 WeakPolarHBondContact CA-O 3.42Å; R256-M395 HydrophobicContact CG-SD 3.84Å; R256-C415 WeakPolarHBondContact CD-O 3.41Å; R256-C415 PolarHBondContact NH1-O 2.91Å; R256-L417 HydrophobicContact CB-CD2 4.13Å; R256-T444 PolarHBondContact NH1-OG1 2.93Å; R256-T444 PolarHBondContact NH2-OG1 3.12Å
257	H	98.8	Very high	95.2	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.019	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-48.9	155.1	159.3	59.8	81.7	0	0	0	111.5	N263 R306 T307 C390 H391 L417	H257-N263 PolarHBondContact CE1-OD1 3.38Å; H257-N263 VanDerWaalsContact CE1-OD1 3.31Å; H257-R306 HydrophobicContact CB-CB 3.94Å; H257-R306 HydrophobicContact CB-CG 3.91Å; H257-R306 PolarHBondContact CD2-NE 3.26Å; H257-R306 WeakPolarHBondContact NE2-CD 3.27Å; H257-R306 PolarHBondContact NE2-NE 2.89Å; H257-T307 HydrophobicContact CB-CG2 3.89Å; H257-C390 PolarHBondContact CD2-O 2.68Å; H257-C390 PolarHBondContact N-O 2.7Å; H257-H391 AromaticContact CD2-CE1 3.87Å; H257-H391 AromaticContact CD2-ND1 3.22Å; H257-H391 PolarHBondContact CD2-ND1 3.22Å; H257-H391 AromaticContact NE2-ND1 3.53Å; H257-L417 WeakPolarHBondContact O-CD2 3.46Å
258	G	98.7	Very high	96	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-57.6	156	166.8	0	0	0	0	0	111.8	S260 L274 T310	G258-S260 PolarHBondContact O-N 3.48Å; G258-L274 WeakPolarHBondContact O-CD2 3.41Å; G258-T310 PolarHBondContact N-OG1 3.41Å; G258-T310 VanDerWaalsContact N-OG1 3.07Å
259	E	98.7	Very high	96.7	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-47.9	125	179.3	179	179.1	-104.9	0	0	111.8	N263 L264 S275 R277 G278 L417 H418 A441 V442	E259-N263 HydrophobicContact CG-CB 4.1Å; E259-L264 HydrophobicContact CG-CD2 4.33Å; E259-L264 HydrophobicContact CG-CG 4.39Å; E259-L264 WeakPolarHBondContact OE2-CD2 3.44Å; E259-S275 WeakPolarHBondContact O-CB 3.37Å; E259-S275 PolarHBondContact O-N 3.32Å; E259-S275 PolarHBondContact O-OG 3.14Å; E259-S275 PolarHBondContact OE2-OG 2.79Å; E259-R277 IonicContact OE1-CZ 2.68Å; E259-R277 IonicContact OE1-NE 3.98Å; E259-R277 IonicContact OE1-NH2 3.24Å; E259-R277 PolarHBondContact OE1-NH2 3.03Å; E259-R277 IonicContact OE2-CZ 2.71Å; E259-R277 VanDerWaalsContact OE2-CZ 3.27Å; E259-R277 IonicContact OE2-NE 3.27Å; E259-R277 PolarHBondContact OE2-NE 3.25Å; E259-R277 IonicContact OE2-NH2 3.48Å; E259-R277 PolarHBondContact OE2-NH2 2.91Å; E259-G278 WeakPolarHBondContact O-CA 3.48Å; E259-L417 HydrophobicContact CB-CD1 4.23Å; E259-L417 HydrophobicContact CG-CD1 4.37Å; E259-H418 PolarHBondContact N-NE2 3.06Å; E259-A441 HydrophobicContact CB-CB 4.36Å; E259-A441 VanDerWaalsContact OE1-CA 3.28Å; E259-A441 WeakPolarHBondContact OE1-CA 3.34Å; E259-V442 WeakPolarHBondContact OE1-CG2 3.34Å; E259-V442 PolarHBondContact OE1-N 2.74Å
260	S	98.5	Very high	97.3	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.014	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-96.5	165.7	-179.8	77.3	0	0	0	0	112.8	G258 L262 N263 L264 G273	G258-S260 PolarHBondContact O-N 3.48Å; S260-L262 VanDerWaalsContact C-N 3.26Å; S260-L262 PolarHBondContact O-N 3.24Å; S260-N263 PolarHBondContact N-OD1 2.66Å; S260-N263 WeakPolarHBondContact O-CB 3.49Å; S260-N263 PolarHBondContact O-N 3.16Å; S260-N263 VanDerWaalsContact OG-CG 3.27Å; S260-N263 PolarHBondContact OG-N 3.22Å; S260-N263 PolarHBondContact OG-OD1 3.4Å; S260-L264 PolarHBondContact O-N 2.99Å; S260-G273 WeakPolarHBondContact CA-O 3.49Å; S260-G273 WeakPolarHBondContact CB-O 3.49Å
261	E	97.9	Very high	97.6	Very high	73 Å²	73	26.2 Å²	26.2	34%	0.341	13%	0.134	S	C	.	.	H	α-helix	trans	-58.7	-34.2	175.5	-63.9	-62.8	157.1	0	0	113.3	K265 P272 G273 S275	E261-K265 WeakPolarHBondContact O-CG 3.29Å; E261-K265 PolarHBondContact O-N 2.7Å; E261-P272 HydrophobicContact CB-CB 4.13Å; E261-G273 PolarHBondContact N-O 3.1Å; E261-G273 VanDerWaalsContact N-O 3.15Å; E261-S275 WeakPolarHBondContact OE1-CA 3.3Å
262	L	97.4	Very high	97.7	Very high	21 Å²	21	26.1 Å²	26.1	11%	0.11	13%	0.134	C	C	.	.	H	α-helix	trans	-76.4	-25.9	175.7	-66.6	-176.4	0	0	0	112.6	S260 K265 G266 R267 G269 P272 E334	S260-L262 VanDerWaalsContact C-N 3.26Å; S260-L262 PolarHBondContact O-N 3.24Å; L262-K265 CarbonylContact O-C 3.53Å; L262-K265 PolarHBondContact O-N 3.46Å; L262-G266 PolarHBondContact O-N 2.66Å; L262-G266 VanDerWaalsContact O-N 3.08Å; L262-R267 HydrophobicContact CB-CB 4.01Å; L262-R267 HydrophobicContact CD1-CB 4.48Å; L262-R267 HydrophobicContact CD2-CB 3.9Å; L262-R267 HydrophobicContact CD2-CG 4.47Å; L262-R267 HydrophobicContact CG-CB 4.33Å; L262-R267 PolarHBondContact O-N 3.11Å; L262-G269 WeakPolarHBondContact CD1-O 3.32Å; L262-P272 HydrophobicContact CB-CB 4.42Å; L262-P272 HydrophobicContact CB-CG 3.88Å; L262-P272 HydrophobicContact CD1-CB 4.38Å; L262-P272 HydrophobicContact CD1-CG 3.84Å; L262-P272 HydrophobicContact CG-CB 3.88Å; L262-P272 HydrophobicContact CG-CG 3.65Å; L262-E334 HydrophobicContact CD1-CG 4.41Å
263	N	97.3	Very high	97.7	Very high	20 Å²	20	26.8 Å²	26.8	11%	0.107	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-44.6	173.1	-61.2	149.2	0	0	0	110.9	H257 E259 S260 K265 G266 L417 V442 T444	H257-N263 PolarHBondContact CE1-OD1 3.38Å; H257-N263 VanDerWaalsContact CE1-OD1 3.31Å; E259-N263 HydrophobicContact CG-CB 4.1Å; S260-N263 PolarHBondContact N-OD1 2.66Å; S260-N263 WeakPolarHBondContact O-CB 3.49Å; S260-N263 PolarHBondContact O-N 3.16Å; S260-N263 VanDerWaalsContact OG-CG 3.27Å; S260-N263 PolarHBondContact OG-N 3.22Å; S260-N263 PolarHBondContact OG-OD1 3.4Å; N263-K265 PolarHBondContact O-N 3.47Å; N263-G266 PolarHBondContact O-N 3.28Å; N263-L417 HydrophobicContact CB-CD1 4.43Å; N263-V442 HydrophobicContact CB-CG2 3.82Å; N263-V442 WeakPolarHBondContact O-CG2 3.4Å; N263-T444 HydrophobicContact CB-CG2 4.45Å
264	L	96.8	Very high	97.8	Very high	49 Å²	49	26.7 Å²	26.7	26%	0.257	14%	0.14	S	C	.	.	H	α-helix	trans	-56.1	-37.4	174.6	-68.5	177.1	0	0	0	112.1	E259 S260 G266 V442	E259-L264 HydrophobicContact CG-CD2 4.33Å; E259-L264 HydrophobicContact CG-CG 4.39Å; E259-L264 WeakPolarHBondContact OE2-CD2 3.44Å; S260-L264 PolarHBondContact O-N 2.99Å; L264-G266 VanDerWaalsContact C-N 3.34Å; L264-V442 HydrophobicContact CD2-CG1 4.09Å
265	K	96.1	Very high	97.7	Very high	123 Å²	123	26.7 Å²	26.7	54%	0.535	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	0.9	-179.4	-62.6	177.3	-175.6	-179.7	0	114.3	E261 L262 N263 R267	E261-K265 WeakPolarHBondContact O-CG 3.29Å; E261-K265 PolarHBondContact O-N 2.7Å; L262-K265 CarbonylContact O-C 3.53Å; L262-K265 PolarHBondContact O-N 3.46Å; N263-K265 PolarHBondContact O-N 3.47Å; K265-R267 HydrophobicContact CB-CG 4.21Å; K265-R267 PolarHBondContact O-N 3.47Å
266	G	95.8	Very high	97.7	Very high	11 Å²	11	31.2 Å²	31.2	11%	0.113	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	13.8	-176.9	0	0	0	0	0	115.7	L262 N263 L264 T336 H468	L262-G266 PolarHBondContact O-N 2.66Å; L262-G266 VanDerWaalsContact O-N 3.08Å; N263-G266 PolarHBondContact O-N 3.28Å; L264-G266 VanDerWaalsContact C-N 3.34Å; G266-T336 WeakPolarHBondContact O-CA 3.47Å; G266-H468 WeakPolarHBondContact CA-CE1 3.4Å; G266-H468 WeakPolarHBondContact CA-ND1 3.38Å
267	R	97.4	Very high	97.7	Very high	77 Å²	77	34 Å²	34	29%	0.291	18%	0.18	S	C	.	.	B	Isolated β-bridge	trans	-91.9	137.6	-174.4	-70.4	177.1	179.2	-75.9	-10.6	111.3	L262 K265 E334 M335 T336 E339	L262-R267 HydrophobicContact CB-CB 4.01Å; L262-R267 HydrophobicContact CD1-CB 4.48Å; L262-R267 HydrophobicContact CD2-CB 3.9Å; L262-R267 HydrophobicContact CD2-CG 4.47Å; L262-R267 HydrophobicContact CG-CB 4.33Å; L262-R267 PolarHBondContact O-N 3.11Å; K265-R267 HydrophobicContact CB-CG 4.21Å; K265-R267 PolarHBondContact O-N 3.47Å; R267-E334 WeakPolarHBondContact CD-O 3.26Å; R267-E334 WeakPolarHBondContact CG-O 3.39Å; R267-E334 PolarHBondContact NH1-O 3.25Å; R267-M335 CarbonylContact C-O 3.54Å; R267-M335 WeakPolarHBondContact CA-O 3.37Å; R267-T336 HydrophobicContact CG-CG2 3.64Å; R267-E339 IonicContact CZ-OE1 3.27Å; R267-E339 IonicContact CZ-OE2 3.54Å; R267-E339 IonicContact NH1-OE1 2.73Å; R267-E339 PolarHBondContact NH1-OE1 3.03Å; R267-E339 IonicContact NH1-OE2 3.45Å; R267-E339 PolarHBondContact NH1-OE2 3.32Å; R267-E339 IonicContact NH2-OE1 3.42Å; R267-E339 PolarHBondContact NH2-OE1 3.28Å; R267-E339 IonicContact NH2-OE2 3.78Å
268	I	96.9	Very high	97.7	Very high	26 Å²	26	33.8 Å²	33.8	13%	0.133	18%	0.179	C	C	.	.			trans	-88.7	159.6	176.5	69.6	172.9	0	0	0	111.2	A329 C332 E334 M335 Y337 I340 Y360	I268-A329 HydrophobicContact CD1-CB 3.63Å; I268-A329 HydrophobicContact CG1-CB 4.25Å; I268-C332 HydrophobicContact CD1-CB 4.41Å; I268-C332 WeakPolarHBondContact CG1-O 3.2Å; I268-E334 WeakPolarHBondContact O-CA 3.4Å; I268-E334 PolarHBondContact O-N 2.95Å; I268-M335 PolarHBondContact N-O 2.68Å; I268-Y337 HydrophobicContact CG2-CE1 4.37Å; I268-Y337 HydrophobicContact CG2-CE2 3.95Å; I268-I340 HydrophobicContact CD1-CD1 3.55Å; I268-I340 HydrophobicContact CG1-CD1 4.26Å; I268-Y360 HydrophobicContact CD1-CE1 4.42Å
269	G	96.2	Very high	97.7	Very high	15 Å²	15	40.6 Å²	40.6	16%	0.155	21%	0.205	C	C	.	.	S	Bend	trans	70.9	-150	174.4	0	0	0	0	0	114.7	L262 E333	L262-G269 WeakPolarHBondContact CD1-O 3.32Å; G269-E333 WeakPolarHBondContact CA-OE1 2.9Å; G269-E333 WeakPolarHBondContact CA-OE2 3.49Å
270	G	96.9	Very high	97.7	Very high	9 Å²	9	45.5 Å²	45.5	9%	0.093	23%	0.228	C	C	.	.	S	Bend	trans	66.9	-176.6	178.4	0	0	0	0	0	114.6	R306 E333	G270-R306 PolarHBondContact O-NH1 3.36Å; G270-E333 PolarHBondContact N-OE2 3.08Å
271	D	98.2	Very high	97.7	Very high	87 Å²	87	45.4 Å²	45.4	47%	0.465	23%	0.227	S	C	.	.			trans	-126.7	55.3	174	-163.6	27.9	0	0	0	114.4	M304 K305 R306	D271-M304 VanDerWaalsContact OD1-CA 3.31Å; D271-M304 WeakPolarHBondContact OD1-CA 3.47Å; D271-M304 WeakPolarHBondContact OD1-CB 3.24Å; D271-K305 WeakPolarHBondContact OD1-CB 3.39Å; D271-K305 PolarHBondContact OD1-N 3.08Å; D271-R306 IonicContact OD1-NH1 3.69Å
272	P	97.7	Very high	97.8	Very high	19 Å²	19	42.1 Å²	42.1	12%	0.123	21%	0.212	C	C	.	.			trans	-68.8	156.8	177.2	31.9	-39.1	0	0	0	112.3	E261 L262	E261-P272 HydrophobicContact CB-CB 4.13Å; L262-P272 HydrophobicContact CB-CB 4.42Å; L262-P272 HydrophobicContact CB-CG 3.88Å; L262-P272 HydrophobicContact CD1-CB 4.38Å; L262-P272 HydrophobicContact CD1-CG 3.84Å; L262-P272 HydrophobicContact CG-CB 3.88Å; L262-P272 HydrophobicContact CG-CG 3.65Å
273	G	98.3	Very high	97.8	Very high	14 Å²	14	48.4 Å²	48.4	14%	0.144	24%	0.238	C	C	.	.			trans	-77.8	177.4	164.9	0	0	0	0	0	113.2	S260 E261 Q309	S260-G273 WeakPolarHBondContact CA-O 3.49Å; S260-G273 WeakPolarHBondContact CB-O 3.49Å; E261-G273 PolarHBondContact N-O 3.1Å; E261-G273 VanDerWaalsContact N-O 3.15Å; G273-Q309 VanDerWaalsContact CA-OE1 3.24Å
274	L	98.8	Very high	97.9	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-70.9	136.2	174	-62.4	-179.2	0	0	0	112.3	G258 R279 A282 R306 Q309	G258-L274 WeakPolarHBondContact O-CD2 3.41Å; L274-R279 HydrophobicContact CB-CG 3.87Å; L274-R279 HydrophobicContact CD1-CG 4.29Å; L274-R279 PolarHBondContact O-NE 3.13Å; L274-R279 PolarHBondContact O-NH2 2.91Å; L274-A282 HydrophobicContact CD1-CB 4.35Å; L274-R306 HydrophobicContact CD2-CB 4.08Å; L274-Q309 HydrophobicContact CD1-CB 3.64Å; L274-Q309 HydrophobicContact CG-CB 3.86Å
275	S	98.5	Very high	98	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.233	C	C	.	.			trans	-65.2	170.6	164.4	72.5	0	0	0	0	111.5	E259 E261 R277 G278 R279	E259-S275 WeakPolarHBondContact O-CB 3.37Å; E259-S275 PolarHBondContact O-N 3.32Å; E259-S275 PolarHBondContact O-OG 3.14Å; E259-S275 PolarHBondContact OE2-OG 2.79Å; E261-S275 WeakPolarHBondContact OE1-CA 3.3Å; S275-R277 VanDerWaalsContact C-N 3.32Å; S275-R277 PolarHBondContact O-N 3.31Å; S275-G278 PolarHBondContact O-N 3.12Å; S275-G278 VanDerWaalsContact O-N 3.13Å; S275-G278 PolarHBondContact OG-N 3.16Å; S275-R279 WeakPolarHBondContact O-CG 3.45Å; S275-R279 PolarHBondContact O-N 3.31Å
276	P	98.5	Very high	98.1	Very high	94 Å²	94	42 Å²	42	61%	0.61	22%	0.216	S	C	*	.	H	α-helix	trans	-53.8	-45.3	172.8	-27.7	36.5	0	0	0	113.4	G278 R279 E280	P276-G278 VanDerWaalsContact C-N 3.35Å; P276-R279 PolarHBondContact O-N 3Å; P276-E280 PolarHBondContact O-N 2.87Å; P276-E280 VanDerWaalsContact O-N 3.11Å
277	R	98.5	Very high	98.2	Very high	64 Å²	64	46.7 Å²	46.7	24%	0.242	24%	0.235	C	C	.	.	H	α-helix	trans	-67.8	-34.6	176.7	-62.4	-169.2	-62.1	-165.6	-3.6	112	E259 S275 R279 E280 F281 V439 A440	E259-R277 IonicContact OE1-CZ 2.68Å; E259-R277 IonicContact OE1-NE 3.98Å; E259-R277 IonicContact OE1-NH2 3.24Å; E259-R277 PolarHBondContact OE1-NH2 3.03Å; E259-R277 IonicContact OE2-CZ 2.71Å; E259-R277 VanDerWaalsContact OE2-CZ 3.27Å; E259-R277 IonicContact OE2-NE 3.27Å; E259-R277 PolarHBondContact OE2-NE 3.25Å; E259-R277 IonicContact OE2-NH2 3.48Å; E259-R277 PolarHBondContact OE2-NH2 2.91Å; S275-R277 VanDerWaalsContact C-N 3.32Å; S275-R277 PolarHBondContact O-N 3.31Å; R277-R279 VanDerWaalsContact C-N 3.31Å; R277-R279 PolarHBondContact O-N 2.88Å; R277-E280 WeakPolarHBondContact O-CB 3.47Å; R277-E280 PolarHBondContact O-N 3.25Å; R277-F281 PolarHBondContact O-N 3.39Å; R277-V439 HydrophobicContact CB-CG1 4.24Å; R277-V439 WeakPolarHBondContact O-CG1 3.46Å; R277-A440 VanDerWaalsContact CD-O 3.31Å; R277-A440 WeakPolarHBondContact CD-O 3.48Å; R277-A440 PolarHBondContact NE-O 2.75Å
278	G	98.7	Very high	98.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-37.5	173.7	0	0	0	0	0	113.1	E259 S275 P276 A282	E259-G278 WeakPolarHBondContact O-CA 3.48Å; S275-G278 PolarHBondContact O-N 3.12Å; S275-G278 VanDerWaalsContact O-N 3.13Å; S275-G278 PolarHBondContact OG-N 3.16Å; P276-G278 VanDerWaalsContact C-N 3.35Å; G278-A282 PolarHBondContact O-N 3.22Å
279	R	98.8	Very high	98.2	Very high	144 Å²	144	43.8 Å²	43.8	54%	0.543	23%	0.225	S	C	.	.	H	α-helix	trans	-71.6	-34.8	174.7	-62.9	176.2	-153.8	174.6	6.7	112.4	L274 S275 P276 R277 A282 K283	L274-R279 HydrophobicContact CB-CG 3.87Å; L274-R279 HydrophobicContact CD1-CG 4.29Å; L274-R279 PolarHBondContact O-NE 3.13Å; L274-R279 PolarHBondContact O-NH2 2.91Å; S275-R279 WeakPolarHBondContact O-CG 3.45Å; S275-R279 PolarHBondContact O-N 3.31Å; P276-R279 PolarHBondContact O-N 3Å; R277-R279 VanDerWaalsContact C-N 3.31Å; R277-R279 PolarHBondContact O-N 2.88Å; R279-A282 PolarHBondContact O-N 3.17Å; R279-K283 PolarHBondContact O-N 2.91Å
280	E	98.6	Very high	98.1	Very high	104 Å²	104	47.2 Å²	47.2	49%	0.486	25%	0.246	S	C	.	.	H	α-helix	trans	-63.1	-46.8	172.3	-171.7	-179.2	-174.7	0	0	110.9	P276 R277 A282 K283 S284 V439	P276-E280 PolarHBondContact O-N 2.87Å; P276-E280 VanDerWaalsContact O-N 3.11Å; R277-E280 WeakPolarHBondContact O-CB 3.47Å; R277-E280 PolarHBondContact O-N 3.25Å; E280-A282 VanDerWaalsContact C-N 3.31Å; E280-A282 PolarHBondContact O-N 3.09Å; E280-K283 WeakPolarHBondContact O-CB 3.46Å; E280-K283 PolarHBondContact O-N 2.87Å; E280-K283 VanDerWaalsContact O-N 3.13Å; E280-S284 PolarHBondContact O-N 2.94Å; E280-S284 PolarHBondContact O-OG 3.45Å; E280-V439 HydrophobicContact CB-CG1 4Å; E280-V439 HydrophobicContact CB-CG2 4.46Å; E280-V439 HydrophobicContact CG-CG1 4.07Å; E280-V439 HydrophobicContact CG-CG2 3.88Å
281	F	98.8	Very high	98.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-56.9	-43	173.1	166.1	-103.5	0	0	0	112.5	C255 R277 K283 S284 L285 T310 H418 L437 V439	C255-F281 HydrophobicContact CB-CZ 4.4Å; R277-F281 PolarHBondContact O-N 3.39Å; F281-K283 VanDerWaalsContact C-N 3.26Å; F281-K283 PolarHBondContact O-N 2.99Å; F281-S284 CarbonylContact O-C 3.59Å; F281-S284 PolarHBondContact O-N 3.49Å; F281-S284 VanDerWaalsContact O-N 3.15Å; F281-L285 HydrophobicContact CE1-CD2 4.22Å; F281-L285 HydrophobicContact CE2-CB 4.41Å; F281-L285 HydrophobicContact CZ-CB 4.29Å; F281-L285 HydrophobicContact CZ-CD1 4.39Å; F281-L285 HydrophobicContact CZ-CD2 4.16Å; F281-L285 WeakPolarHBondContact O-CB 3.06Å; F281-L285 PolarHBondContact O-N 2.95Å; F281-T310 HydrophobicContact CD1-CG2 4.18Å; F281-T310 HydrophobicContact CE1-CG2 3.83Å; F281-H418 HydrophobicContact CB-CB 4.43Å; F281-H418 WeakPolarHBondContact CB-CD2 3.36Å; F281-H418 WeakPolarHBondContact CB-NE2 3.4Å; F281-H418 AromaticContact CD1-CD2 3.79Å; F281-H418 VanDerWaalsContact CD2-CA 3.41Å; F281-H418 HydrophobicContact CD2-CB 3.61Å; F281-H418 AromaticContact CD2-CD2 3.75Å; F281-H418 AromaticContact CD2-CG 3.76Å; F281-H418 HydrophobicContact CE2-CB 4.13Å; F281-H418 HydrophobicContact CG-CB 4.13Å; F281-H418 AromaticContact CG-CD2 3.32Å; F281-H418 WeakPolarHBondContact CG-CD2 3.43Å; F281-H418 AromaticContact CG-CG 3.74Å; F281-H418 AromaticContact CG-NE2 3.91Å; F281-L437 HydrophobicContact CD2-CB 4.3Å; F281-L437 HydrophobicContact CD2-CD1 4.06Å; F281-L437 HydrophobicContact CE2-CB 4.4Å; F281-L437 HydrophobicContact CE2-CD1 3.6Å; F281-L437 HydrophobicContact CE2-CG 4.12Å; F281-V439 HydrophobicContact CB-CB 4.33Å; F281-V439 HydrophobicContact CB-CG1 4.31Å; F281-V439 HydrophobicContact CB-CG2 4.49Å
282	A	98.8	Very high	97.9	Very high	3 Å²	3	51.1 Å²	51.1	3%	0.025	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-38.7	178.7	0	0	0	0	0	112.1	L274 G278 R279 E280 A286 T310 A313	L274-A282 HydrophobicContact CD1-CB 4.35Å; G278-A282 PolarHBondContact O-N 3.22Å; R279-A282 PolarHBondContact O-N 3.17Å; E280-A282 VanDerWaalsContact C-N 3.31Å; E280-A282 PolarHBondContact O-N 3.09Å; A282-A286 PolarHBondContact O-N 3.42Å; A282-T310 HydrophobicContact CB-CG2 4.17Å; A282-A313 HydrophobicContact CB-CB 3.6Å
283	K	98.6	Very high	97.7	Very high	153 Å²	153	57.3 Å²	57.3	67%	0.665	30%	0.295	S	S	*	.	H	α-helix	trans	-67.9	-44.5	173.3	-65.8	175.7	-178.5	-178.4	0	112.1	R279 E280 F281 L285 A286 Q287	R279-K283 PolarHBondContact O-N 2.91Å; E280-K283 WeakPolarHBondContact O-CB 3.46Å; E280-K283 PolarHBondContact O-N 2.87Å; E280-K283 VanDerWaalsContact O-N 3.13Å; F281-K283 VanDerWaalsContact C-N 3.26Å; F281-K283 PolarHBondContact O-N 2.99Å; K283-L285 VanDerWaalsContact C-N 3.27Å; K283-L285 PolarHBondContact O-N 2.96Å; K283-A286 WeakPolarHBondContact O-CB 3.25Å; K283-A286 PolarHBondContact O-N 3.37Å; K283-Q287 PolarHBondContact O-N 3.36Å
284	S	98.5	Very high	97.5	Very high	36 Å²	36	58.3 Å²	58.3	25%	0.252	30%	0.296	S	S	.	.	H	α-helix	trans	-63.2	-35.2	176.6	-59.3	0	0	0	0	112.1	E280 F281 Q287 F288	E280-S284 PolarHBondContact O-N 2.94Å; E280-S284 PolarHBondContact O-OG 3.45Å; F281-S284 CarbonylContact O-C 3.59Å; F281-S284 PolarHBondContact O-N 3.49Å; F281-S284 VanDerWaalsContact O-N 3.15Å; S284-Q287 PolarHBondContact O-N 3.14Å; S284-F288 WeakPolarHBondContact O-CB 3.35Å; S284-F288 PolarHBondContact O-N 2.81Å
285	L	98.7	Very high	97.1	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.8	-43.1	174	-176.8	66.9	0	0	0	111.1	F281 K283 F288 I289 T310 L314 I389 V420 L437	F281-L285 HydrophobicContact CE1-CD2 4.22Å; F281-L285 HydrophobicContact CE2-CB 4.41Å; F281-L285 HydrophobicContact CZ-CB 4.29Å; F281-L285 HydrophobicContact CZ-CD1 4.39Å; F281-L285 HydrophobicContact CZ-CD2 4.16Å; F281-L285 WeakPolarHBondContact O-CB 3.06Å; F281-L285 PolarHBondContact O-N 2.95Å; K283-L285 VanDerWaalsContact C-N 3.27Å; K283-L285 PolarHBondContact O-N 2.96Å; L285-F288 HydrophobicContact CD1-CD1 4.49Å; L285-F288 PolarHBondContact O-N 2.94Å; L285-I289 HydrophobicContact CD1-CG1 4.18Å; L285-I289 HydrophobicContact CG-CG1 4.37Å; L285-I289 WeakPolarHBondContact O-CB 3.35Å; L285-I289 VanDerWaalsContact O-CG1 3.28Å; L285-I289 WeakPolarHBondContact O-CG1 3.1Å; L285-I289 PolarHBondContact O-N 3.36Å; L285-T310 HydrophobicContact CD2-CG2 3.82Å; L285-L314 HydrophobicContact CB-CD2 4.47Å; L285-L314 HydrophobicContact CD2-CD2 4.23Å; L285-L314 HydrophobicContact CG-CD2 3.99Å; L285-I389 HydrophobicContact CD2-CD1 4.04Å; L285-I389 HydrophobicContact CD2-CG1 4.5Å; L285-V420 HydrophobicContact CD1-CG2 3.57Å; L285-L437 HydrophobicContact CB-CD1 3.93Å; L285-L437 HydrophobicContact CD1-CD1 3.93Å
286	A	98.2	Very high	96.9	Very high	22 Å²	22	71.1 Å²	71.1	18%	0.182	36%	0.357	C	S	.	.	H	α-helix	trans	-58.9	-46.9	175.1	0	0	0	0	0	111.9	A282 K283 I289 S290 A313 L314	A282-A286 PolarHBondContact O-N 3.42Å; K283-A286 WeakPolarHBondContact O-CB 3.25Å; K283-A286 PolarHBondContact O-N 3.37Å; A286-I289 PolarHBondContact O-N 2.92Å; A286-S290 WeakPolarHBondContact O-CB 3.19Å; A286-S290 PolarHBondContact O-N 3.11Å; A286-A313 VanDerWaalsContact CB-O 3.25Å; A286-A313 WeakPolarHBondContact CB-O 3.24Å; A286-L314 VanDerWaalsContact CA-CD2 3.46Å; A286-L314 HydrophobicContact CB-CD2 3.91Å
287	Q	97.8	Very high	96.7	Very high	110 Å²	110	68.4 Å²	68.4	51%	0.514	34%	0.337	S	S	.	.	H	α-helix	trans	-60.9	-50.3	175.7	-172.8	61.8	54.5	0	0	111.3	K283 S284 I289 S290 D291	K283-Q287 PolarHBondContact O-N 3.36Å; S284-Q287 PolarHBondContact O-N 3.14Å; Q287-I289 VanDerWaalsContact C-N 3.34Å; Q287-I289 PolarHBondContact O-N 2.91Å; Q287-S290 WeakPolarHBondContact O-CB 3.36Å; Q287-S290 PolarHBondContact O-N 3.32Å; Q287-D291 PolarHBondContact NE2-OD1 3.34Å; Q287-D291 PolarHBondContact NE2-OD2 3.46Å; Q287-D291 PolarHBondContact O-N 3.47Å
288	F	97.9	Very high	96.7	Very high	25 Å²	25	68.7 Å²	68.7	11%	0.11	34%	0.34	C	S	.	.	H	α-helix	trans	-55.1	-48.3	179	170.7	-99	0	0	0	112.1	Y253 S284 L285 D291 Q292 V420 I435 L437	Y253-F288 HydrophobicContact CD1-CE1 4.26Å; Y253-F288 HydrophobicContact CE1-CE1 4.3Å; Y253-F288 HydrophobicContact CE1-CZ 4.44Å; S284-F288 WeakPolarHBondContact O-CB 3.35Å; S284-F288 PolarHBondContact O-N 2.81Å; L285-F288 HydrophobicContact CD1-CD1 4.49Å; L285-F288 PolarHBondContact O-N 2.94Å; F288-D291 PolarHBondContact O-N 2.62Å; F288-Q292 HydrophobicContact CE1-CG 4.1Å; F288-Q292 HydrophobicContact CE2-CG 4.27Å; F288-Q292 HydrophobicContact CZ-CG 3.94Å; F288-Q292 WeakPolarHBondContact O-CG 3.44Å; F288-Q292 PolarHBondContact O-N 2.84Å; F288-V420 HydrophobicContact CD1-CG2 4.3Å; F288-V420 HydrophobicContact CE1-CB 4.33Å; F288-V420 HydrophobicContact CE1-CG1 4Å; F288-V420 HydrophobicContact CE1-CG2 4.27Å; F288-I435 HydrophobicContact CD2-CG2 4.35Å; F288-I435 HydrophobicContact CE2-CB 4.42Å; F288-I435 HydrophobicContact CE2-CG1 4.42Å; F288-I435 HydrophobicContact CE2-CG2 3.9Å; F288-I435 HydrophobicContact CZ-CD1 4.41Å; F288-I435 HydrophobicContact CZ-CG1 4.44Å; F288-L437 HydrophobicContact CB-CD1 4.23Å; F288-L437 HydrophobicContact CB-CD2 4.01Å; F288-L437 HydrophobicContact CD2-CD2 3.98Å; F288-L437 HydrophobicContact CG-CD2 3.9Å
289	I	96.6	Very high	96.7	Very high	17 Å²	17	68.9 Å²	68.9	9%	0.087	34%	0.341	C	S	.	.	H	α-helix	trans	-65.9	-40.4	-179.1	-68.5	-64.1	0	0	0	111.4	L285 A286 Q287 D291 Q292 L297 L387	L285-I289 HydrophobicContact CD1-CG1 4.18Å; L285-I289 HydrophobicContact CG-CG1 4.37Å; L285-I289 WeakPolarHBondContact O-CB 3.35Å; L285-I289 VanDerWaalsContact O-CG1 3.28Å; L285-I289 WeakPolarHBondContact O-CG1 3.1Å; L285-I289 PolarHBondContact O-N 3.36Å; A286-I289 PolarHBondContact O-N 2.92Å; Q287-I289 VanDerWaalsContact C-N 3.34Å; Q287-I289 PolarHBondContact O-N 2.91Å; I289-D291 VanDerWaalsContact C-N 3.33Å; I289-D291 PolarHBondContact O-N 3.4Å; I289-Q292 PolarHBondContact O-N 2.86Å; I289-L297 HydrophobicContact CD1-CD2 4.45Å; I289-L297 HydrophobicContact CG2-CD2 3.33Å; I289-L387 HydrophobicContact CD1-CD2 3.99Å; I289-L387 HydrophobicContact CG1-CD2 4.03Å
290	S	95.5	Very high	96.7	Very high	86 Å²	86	62.1 Å²	62.1	60%	0.601	32%	0.316	S	S	*	.	H	α-helix	trans	-59.1	-44.3	173.6	-174.6	0	0	0	0	111.6	A286 Q287 Q292 N293	A286-S290 WeakPolarHBondContact O-CB 3.19Å; A286-S290 PolarHBondContact O-N 3.11Å; Q287-S290 WeakPolarHBondContact O-CB 3.36Å; Q287-S290 PolarHBondContact O-N 3.32Å; S290-Q292 VanDerWaalsContact C-N 3.27Å; S290-Q292 PolarHBondContact O-N 2.91Å; S290-N293 PolarHBondContact O-N 3.2Å; S290-N293 VanDerWaalsContact O-N 3.11Å
291	D	96.4	Very high	96.7	Very high	104 Å²	104	57.1 Å²	57.1	56%	0.556	29%	0.293	S	S	*	.	H	α-helix	trans	-67.4	-25.4	-178.3	-65.4	-19.1	0	0	0	113.2	Q287 F288 I289 N293	Q287-D291 PolarHBondContact NE2-OD1 3.34Å; Q287-D291 PolarHBondContact NE2-OD2 3.46Å; Q287-D291 PolarHBondContact O-N 3.47Å; F288-D291 PolarHBondContact O-N 2.62Å; I289-D291 VanDerWaalsContact C-N 3.33Å; I289-D291 PolarHBondContact O-N 3.4Å; D291-N293 PolarHBondContact O-N 3.05Å
292	Q	94.1	Very high	96.7	Very high	75 Å²	75	57.1 Å²	57.1	35%	0.35	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-15.3	174.8	-64.7	-53.7	-75.8	0	0	113.2	F288 I289 S290 I294	F288-Q292 HydrophobicContact CE1-CG 4.1Å; F288-Q292 HydrophobicContact CE2-CG 4.27Å; F288-Q292 HydrophobicContact CZ-CG 3.94Å; F288-Q292 WeakPolarHBondContact O-CG 3.44Å; F288-Q292 PolarHBondContact O-N 2.84Å; I289-Q292 PolarHBondContact O-N 2.86Å; S290-Q292 VanDerWaalsContact C-N 3.27Å; S290-Q292 PolarHBondContact O-N 2.91Å; Q292-I294 VanDerWaalsContact C-N 3.29Å; Q292-I294 HydrophobicContact CB-CD1 3.56Å; Q292-I294 HydrophobicContact CB-CG1 3.48Å; Q292-I294 VanDerWaalsContact CB-CG1 3.48Å; Q292-I294 HydrophobicContact CG-CD1 4.19Å; Q292-I294 PolarHBondContact O-N 3.25Å
293	N	93.3	Very high	96.7	Very high	149 Å²	149	61.3 Å²	61.3	80%	0.797	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	48.3	-179.5	-165	27.8	0	0	0	113.4	S290 D291 K295	S290-N293 PolarHBondContact O-N 3.2Å; S290-N293 VanDerWaalsContact O-N 3.11Å; D291-N293 PolarHBondContact O-N 3.05Å; N293-K295 PolarHBondContact O-N 3.03Å
294	I	93.1	Very high	96.7	Very high	34 Å²	34	55.4 Å²	55.4	17%	0.174	29%	0.287	C	S	.	.			trans	-80.9	120.5	-171.7	-56.6	158.1	0	0	0	109.9	Y253 Q292 L297 N385	Y253-I294 HydrophobicContact CD2-CD1 4.27Å; Y253-I294 HydrophobicContact CE1-CD1 4.44Å; Y253-I294 HydrophobicContact CE2-CD1 3.44Å; Y253-I294 VanDerWaalsContact CE2-CD1 3.44Å; Y253-I294 HydrophobicContact CE2-CG1 4.4Å; Y253-I294 WeakPolarHBondContact OH-CD1 3.27Å; Q292-I294 VanDerWaalsContact C-N 3.29Å; Q292-I294 HydrophobicContact CB-CD1 3.56Å; Q292-I294 HydrophobicContact CB-CG1 3.48Å; Q292-I294 VanDerWaalsContact CB-CG1 3.48Å; Q292-I294 HydrophobicContact CG-CD1 4.19Å; Q292-I294 PolarHBondContact O-N 3.25Å; I294-L297 HydrophobicContact CB-CB 4.25Å; I294-L297 HydrophobicContact CD1-CD1 4.36Å; I294-L297 HydrophobicContact CD1-CD2 4.26Å; I294-L297 HydrophobicContact CG2-CB 3.99Å; I294-L297 HydrophobicContact CG2-CD1 4.23Å; I294-N385 HydrophobicContact CG2-CB 3.51Å
295	K	91.8	Very high	96.7	Very high	158 Å²	158	58.6 Å²	58.6	69%	0.687	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	136.6	173.5	-163.2	-166.8	173.6	-165	0	111	N293 L297 N385	N293-K295 PolarHBondContact O-N 3.03Å; K295-L297 VanDerWaalsContact C-N 3.26Å; K295-L297 PolarHBondContact O-N 3.26Å; K295-N385 PolarHBondContact O-ND2 2.95Å
296	D	92.7	Very high	96.7	Very high	115 Å²	115	59 Å²	59	62%	0.615	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	36.4	172.6	-55.7	-42.5	0	0	0	114.1	K298	D296-K298 PolarHBondContact O-N 3.38Å
297	L	96.3	Very high	96.8	Very high	37 Å²	37	57.9 Å²	57.9	19%	0.194	29%	0.289	C	S	.	.			trans	-64	122.7	179.1	179.5	66.4	0	0	0	111.3	I289 I294 K295 V299 N385 L387	I289-L297 HydrophobicContact CD1-CD2 4.45Å; I289-L297 HydrophobicContact CG2-CD2 3.33Å; I294-L297 HydrophobicContact CB-CB 4.25Å; I294-L297 HydrophobicContact CD1-CD1 4.36Å; I294-L297 HydrophobicContact CD1-CD2 4.26Å; I294-L297 HydrophobicContact CG2-CB 3.99Å; I294-L297 HydrophobicContact CG2-CD1 4.23Å; K295-L297 VanDerWaalsContact C-N 3.26Å; K295-L297 PolarHBondContact O-N 3.26Å; L297-V299 HydrophobicContact CD2-CG2 4.41Å; L297-V299 HydrophobicContact CG-CG2 4.4Å; L297-N385 HydrophobicContact CD1-CB 4.32Å; L297-L387 HydrophobicContact CD1-CB 4.12Å
298	K	98	Very high	96.8	Very high	71 Å²	71	54.1 Å²	54.1	31%	0.309	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	139.2	168.1	-63.8	-173.1	176.9	-177.7	0	110.9	D296 Q383 N385 V386 L387	D296-K298 PolarHBondContact O-N 3.38Å; K298-Q383 HydrophobicContact CD-CG 4.34Å; K298-N385 PolarHBondContact N-O 3.46Å; K298-V386 HydrophobicContact CB-CG2 4.45Å; K298-V386 CarbonylContact O-C 3.59Å; K298-V386 WeakPolarHBondContact O-CA 3.39Å; K298-L387 PolarHBondContact O-N 2.76Å
299	V	98.7	Very high	96.9	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.4	177.2	-176.6	0	0	0	0	109.8	L297 A311 L314 V316 Y318 E319 L387 I389	L297-V299 HydrophobicContact CD2-CG2 4.41Å; L297-V299 HydrophobicContact CG-CG2 4.4Å; V299-A311 HydrophobicContact CG1-CB 4.35Å; V299-L314 HydrophobicContact CG1-CD1 3.9Å; V299-L314 HydrophobicContact CG2-CD1 4.03Å; V299-V316 HydrophobicContact CG2-CG2 3.74Å; V299-Y318 CarbonylContact O-C 3.26Å; V299-Y318 WeakPolarHBondContact O-CA 3.2Å; V299-Y318 WeakPolarHBondContact O-CB 3.37Å; V299-E319 PolarHBondContact O-N 2.78Å; V299-L387 CarbonylContact C-O 3.5Å; V299-L387 WeakPolarHBondContact CA-O 3.08Å; V299-L387 HydrophobicContact CG1-CD2 4.28Å; V299-L387 HydrophobicContact CG2-CB 4.4Å; V299-L387 HydrophobicContact CG2-CD2 4.32Å; V299-I389 HydrophobicContact CG1-CD1 4.16Å
300	W	98.9	Very high	97	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.008	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.9	176.9	-59.2	-19.8	0	0	0	111.3	E319 W321 L324 V376 E379 L380 Q383 V386 L387 V388 I389	W300-E319 WeakPolarHBondContact CA-O 3.46Å; W300-E319 PolarHBondContact NE1-OE2 3.42Å; W300-W321 AromaticContact CD1-NE1 3.97Å; W300-L324 HydrophobicContact CB-CD1 4.03Å; W300-V376 HydrophobicContact CE3-CG1 4.35Å; W300-V376 HydrophobicContact CZ3-CG1 4.09Å; W300-E379 HydrophobicContact CH2-CB 3.75Å; W300-E379 HydrophobicContact CH2-CG 3.45Å; W300-E379 VanDerWaalsContact CH2-CG 3.45Å; W300-E379 HydrophobicContact CZ2-CB 4.41Å; W300-E379 HydrophobicContact CZ2-CG 3.62Å; W300-E379 HydrophobicContact CZ3-CB 4.42Å; W300-E379 HydrophobicContact CZ3-CG 4.47Å; W300-L380 HydrophobicContact CE3-CD2 4.09Å; W300-L380 HydrophobicContact CH2-CD2 3.84Å; W300-L380 HydrophobicContact CH2-CG 4.17Å; W300-L380 HydrophobicContact CZ3-CD2 3.37Å; W300-L380 HydrophobicContact CZ3-CG 3.62Å; W300-Q383 HydrophobicContact CH2-CG 4.01Å; W300-Q383 HydrophobicContact CZ2-CG 3.76Å; W300-V386 HydrophobicContact CD2-CG1 3.71Å; W300-V386 HydrophobicContact CE3-CG1 3.85Å; W300-V386 HydrophobicContact CG-CG1 4.25Å; W300-V386 HydrophobicContact CH2-CG1 4.2Å; W300-V386 HydrophobicContact CH2-CG2 4.48Å; W300-V386 HydrophobicContact CZ2-CG1 4.12Å; W300-V386 HydrophobicContact CZ2-CG2 4.38Å; W300-V386 HydrophobicContact CZ3-CG1 4.12Å; W300-L387 PolarHBondContact N-O 3Å; W300-V388 HydrophobicContact CE3-CG2 3.91Å; W300-I389 PolarHBondContact O-N 2.95Å
301	T	98.9	Very high	97.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	163.2	176.6	63.7	0	0	0	0	110.8	A311 Y318 E319 W321 I389	T301-A311 HydrophobicContact CG2-CB 3.41Å; T301-A311 VanDerWaalsContact CG2-CB 3.41Å; T301-Y318 HydrophobicContact CG2-CD2 3.93Å; T301-Y318 HydrophobicContact CG2-CG 4.4Å; T301-E319 PolarHBondContact N-O 3.33Å; T301-E319 PolarHBondContact OG1-O 3.43Å; T301-W321 PolarHBondContact O-N 3.06Å; T301-I389 WeakPolarHBondContact CA-O 3.49Å; T301-I389 HydrophobicContact CG2-CB 4.39Å
302	S	98.8	Very high	97.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.247	C	C	.	.			trans	-74.1	174	159.2	84.7	0	0	0	0	111.3	M304 T307 L324 N325 H391	S302-M304 PolarHBondContact O-N 3.5Å; S302-M304 WeakPolarHBondContact OG-CB 3.38Å; S302-M304 PolarHBondContact OG-N 3.4Å; S302-T307 PolarHBondContact N-OG1 3.13Å; S302-T307 PolarHBondContact O-OG1 2.84Å; S302-T307 VanDerWaalsContact O-OG1 3.12Å; S302-T307 WeakPolarHBondContact OG-CG2 3.49Å; S302-T307 PolarHBondContact OG-OG1 2.98Å; S302-L324 WeakPolarHBondContact CB-O 3.27Å; S302-N325 WeakPolarHBondContact CB-OD1 3.16Å; S302-H391 VanDerWaalsContact CB-NE2 3.34Å; S302-H391 WeakPolarHBondContact CB-NE2 3.5Å; S302-H391 PolarHBondContact OG-NE2 2.87Å
303	Q	98.8	Very high	97.4	Very high	91 Å²	91	50 Å²	50	43%	0.425	25%	0.246	S	C	.	.	S	Bend	trans	-80.6	1.6	171.5	-70.1	-177.2	-23.7	0	0	113.6	Q320 K322 N325	Q303-Q320 HydrophobicContact CG-CB 4.12Å; Q303-K322 HydrophobicContact CG-CB 4.39Å; Q303-N325 PolarHBondContact N-OD1 2.83Å
304	M	98.6	Very high	97.6	Very high	29 Å²	29	43.9 Å²	43.9	14%	0.143	21%	0.214	C	C	.	.	S	Bend	trans	-82.4	139.2	179.9	-65.7	171.5	161.2	0	0	111.5	D271 S302 R306 T307 I308 N325 E326 H391	D271-M304 VanDerWaalsContact OD1-CA 3.31Å; D271-M304 WeakPolarHBondContact OD1-CA 3.47Å; D271-M304 WeakPolarHBondContact OD1-CB 3.24Å; S302-M304 PolarHBondContact O-N 3.5Å; S302-M304 WeakPolarHBondContact OG-CB 3.38Å; S302-M304 PolarHBondContact OG-N 3.4Å; M304-R306 VanDerWaalsContact C-N 3.27Å; M304-R306 HydrophobicContact CB-CG 4.47Å; M304-R306 PolarHBondContact O-N 3.24Å; M304-R306 VanDerWaalsContact O-N 3.13Å; M304-R306 PolarHBondContact SD-NH2 3.3Å; M304-T307 PolarHBondContact O-N 3.47Å; M304-T307 PolarHBondContact O-OG1 2.84Å; M304-I308 PolarHBondContact O-N 2.85Å; M304-N325 HydrophobicContact CE-CB 3.9Å; M304-N325 HydrophobicContact SD-CB 4.19Å; M304-E326 HydrophobicContact CE-CB 4.19Å; M304-E326 HydrophobicContact SD-CB 3.98Å; M304-E326 PolarHBondContact SD-N 2.94Å; M304-H391 PolarHBondContact SD-CE1 3.3Å; M304-H391 PolarHBondContact SD-NE2 2.84Å; M304-H391 VanDerWaalsContact SD-NE2 3.42Å
305	K	98.6	Very high	97.7	Very high	103 Å²	103	45.8 Å²	45.8	45%	0.448	24%	0.242	S	C	.	.	H	α-helix	trans	-49.1	-44.6	-173.8	-175.8	175.5	-177.1	174.5	0	113.1	D271 T307 I308 Q309	D271-K305 WeakPolarHBondContact OD1-CB 3.39Å; D271-K305 PolarHBondContact OD1-N 3.08Å; K305-T307 PolarHBondContact O-N 3.14Å; K305-I308 PolarHBondContact O-N 2.83Å; K305-Q309 HydrophobicContact CG-CG 4.16Å; K305-Q309 WeakPolarHBondContact O-CB 3.49Å; K305-Q309 VanDerWaalsContact O-CG 3.29Å; K305-Q309 WeakPolarHBondContact O-CG 3.47Å; K305-Q309 PolarHBondContact O-N 3.09Å
306	R	98.7	Very high	97.9	Very high	7 Å²	7	41.4 Å²	41.4	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-37.5	-179.4	58.3	-165.8	-176.9	-93.8	8.4	114.5	H257 G270 D271 L274 M304 T310 H391	H257-R306 HydrophobicContact CB-CB 3.94Å; H257-R306 HydrophobicContact CB-CG 3.91Å; H257-R306 PolarHBondContact CD2-NE 3.26Å; H257-R306 WeakPolarHBondContact NE2-CD 3.27Å; H257-R306 PolarHBondContact NE2-NE 2.89Å; G270-R306 PolarHBondContact O-NH1 3.36Å; D271-R306 IonicContact OD1-NH1 3.69Å; L274-R306 HydrophobicContact CD2-CB 4.08Å; M304-R306 VanDerWaalsContact C-N 3.27Å; M304-R306 HydrophobicContact CB-CG 4.47Å; M304-R306 PolarHBondContact O-N 3.24Å; M304-R306 VanDerWaalsContact O-N 3.13Å; M304-R306 PolarHBondContact SD-NH2 3.3Å; R306-T310 PolarHBondContact O-N 3.31Å; R306-T310 PolarHBondContact O-OG1 2.89Å; R306-H391 PolarHBondContact NE-CE1 2.95Å; R306-H391 PolarHBondContact NE-ND1 3.16Å; R306-H391 PolarHBondContact NH2-CE1 3.07Å; R306-H391 PolarHBondContact NH2-ND1 2.77Å
307	T	98.9	Very high	98.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-74.2	-39.7	176.1	54.9	0	0	0	0	110.8	H257 S302 M304 K305 T310 A311 I389	H257-T307 HydrophobicContact CB-CG2 3.89Å; S302-T307 PolarHBondContact N-OG1 3.13Å; S302-T307 PolarHBondContact O-OG1 2.84Å; S302-T307 VanDerWaalsContact O-OG1 3.12Å; S302-T307 WeakPolarHBondContact OG-CG2 3.49Å; S302-T307 PolarHBondContact OG-OG1 2.98Å; M304-T307 PolarHBondContact O-N 3.47Å; M304-T307 PolarHBondContact O-OG1 2.84Å; K305-T307 PolarHBondContact O-N 3.14Å; T307-T310 WeakPolarHBondContact O-CB 3.36Å; T307-T310 PolarHBondContact O-N 2.78Å; T307-A311 PolarHBondContact O-N 3.09Å; T307-I389 WeakPolarHBondContact CB-O 3.27Å; T307-I389 HydrophobicContact CG2-CG2 4.25Å; T307-I389 VanDerWaalsContact CG2-O 3.31Å; T307-I389 WeakPolarHBondContact CG2-O 3.45Å
308	I	98.9	Very high	98.2	Very high	30 Å²	30	42.6 Å²	42.6	15%	0.154	24%	0.237	C	C	.	.	H	α-helix	trans	-62.6	-50.7	178.1	-64.4	168	0	0	0	110.3	M304 K305 T310 A311 E312 Y318 Q320	M304-I308 PolarHBondContact O-N 2.85Å; K305-I308 PolarHBondContact O-N 2.83Å; I308-T310 PolarHBondContact O-N 3.04Å; I308-A311 PolarHBondContact O-N 3.32Å; I308-E312 HydrophobicContact CG2-CG 4.3Å; I308-E312 WeakPolarHBondContact O-CG 3.16Å; I308-E312 PolarHBondContact O-N 2.75Å; I308-Y318 HydrophobicContact CG2-CE2 4.25Å; I308-Y318 WeakPolarHBondContact CG2-OH 3.41Å; I308-Q320 HydrophobicContact CD1-CG 4.47Å; I308-Q320 HydrophobicContact CG1-CG 4.4Å
309	Q	98.8	Very high	98.2	Very high	67 Å²	67	43.8 Å²	43.8	31%	0.313	24%	0.244	S	C	.	.	H	α-helix	trans	-59.4	-30.6	176.9	-73.9	-176.3	-37.4	0	0	113.2	G273 L274 K305	G273-Q309 VanDerWaalsContact CA-OE1 3.24Å; L274-Q309 HydrophobicContact CD1-CB 3.64Å; L274-Q309 HydrophobicContact CG-CB 3.86Å; K305-Q309 HydrophobicContact CG-CG 4.16Å; K305-Q309 WeakPolarHBondContact O-CB 3.49Å; K305-Q309 VanDerWaalsContact O-CG 3.29Å; K305-Q309 WeakPolarHBondContact O-CG 3.47Å; K305-Q309 PolarHBondContact O-N 3.09Å
310	T	98.9	Very high	98.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-70.8	-42.3	174.9	-54.5	0	0	0	0	110.6	G258 F281 A282 L285 R306 T307 I308 I389	G258-T310 PolarHBondContact N-OG1 3.41Å; G258-T310 VanDerWaalsContact N-OG1 3.07Å; F281-T310 HydrophobicContact CD1-CG2 4.18Å; F281-T310 HydrophobicContact CE1-CG2 3.83Å; A282-T310 HydrophobicContact CB-CG2 4.17Å; L285-T310 HydrophobicContact CD2-CG2 3.82Å; R306-T310 PolarHBondContact O-N 3.31Å; R306-T310 PolarHBondContact O-OG1 2.89Å; T307-T310 WeakPolarHBondContact O-CB 3.36Å; T307-T310 PolarHBondContact O-N 2.78Å; I308-T310 PolarHBondContact O-N 3.04Å; T310-I389 HydrophobicContact CG2-CD1 4.19Å; T310-I389 HydrophobicContact CG2-CG2 3.98Å
311	A	98.7	Very high	98.2	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-70.1	-36.4	178.6	0	0	0	0	0	113.6	V299 T301 T307 I308 A313 L314 Y318 I389	V299-A311 HydrophobicContact CG1-CB 4.35Å; T301-A311 HydrophobicContact CG2-CB 3.41Å; T301-A311 VanDerWaalsContact CG2-CB 3.41Å; T307-A311 PolarHBondContact O-N 3.09Å; I308-A311 PolarHBondContact O-N 3.32Å; A311-A313 PolarHBondContact O-N 3.4Å; A311-L314 VanDerWaalsContact O-CB 3.22Å; A311-L314 WeakPolarHBondContact O-CB 3.19Å; A311-L314 WeakPolarHBondContact O-CG 3.4Å; A311-L314 PolarHBondContact O-N 3.48Å; A311-Y318 HydrophobicContact CB-CD1 3.94Å; A311-Y318 HydrophobicContact CB-CD2 4.29Å; A311-Y318 HydrophobicContact CB-CE1 4.39Å; A311-Y318 HydrophobicContact CB-CG 3.9Å; A311-I389 HydrophobicContact CB-CD1 3.92Å
312	E	98.5	Very high	98.2	Very high	112 Å²	112	57.4 Å²	57.4	52%	0.523	30%	0.303	S	S	.	.	H	α-helix	trans	-55	-34.5	176.4	-76.5	-67.1	151	0	0	112.3	I308 L314 G315 Y318	I308-E312 HydrophobicContact CG2-CG 4.3Å; I308-E312 WeakPolarHBondContact O-CG 3.16Å; I308-E312 PolarHBondContact O-N 2.75Å; E312-L314 PolarHBondContact O-N 3.17Å; E312-G315 PolarHBondContact O-N 3.06Å; E312-Y318 HydrophobicContact CG-CE1 4.35Å; E312-Y318 WeakPolarHBondContact OE1-CE1 3.26Å; E312-Y318 PolarHBondContact OE1-OH 2.72Å
313	A	98	Very high	98.2	Very high	40 Å²	40	59.6 Å²	59.6	33%	0.331	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.5	177.8	0	0	0	0	0	113.7	A282 A286 A311 G315	A282-A313 HydrophobicContact CB-CB 3.6Å; A286-A313 VanDerWaalsContact CB-O 3.25Å; A286-A313 WeakPolarHBondContact CB-O 3.24Å; A311-A313 PolarHBondContact O-N 3.4Å; A313-G315 VanDerWaalsContact C-N 3.32Å
314	L	97.3	Very high	98.2	Very high	22 Å²	22	55.2 Å²	55.2	12%	0.115	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-23.5	179.2	-54.8	178.3	0	0	0	112.5	L285 A286 V299 A311 E312 V316 L387 I389	L285-L314 HydrophobicContact CB-CD2 4.47Å; L285-L314 HydrophobicContact CD2-CD2 4.23Å; L285-L314 HydrophobicContact CG-CD2 3.99Å; A286-L314 VanDerWaalsContact CA-CD2 3.46Å; A286-L314 HydrophobicContact CB-CD2 3.91Å; V299-L314 HydrophobicContact CG1-CD1 3.9Å; V299-L314 HydrophobicContact CG2-CD1 4.03Å; A311-L314 VanDerWaalsContact O-CB 3.22Å; A311-L314 WeakPolarHBondContact O-CB 3.19Å; A311-L314 WeakPolarHBondContact O-CG 3.4Å; A311-L314 PolarHBondContact O-N 3.48Å; E312-L314 PolarHBondContact O-N 3.17Å; L314-V316 HydrophobicContact CB-CG2 3.82Å; L314-V316 HydrophobicContact CD1-CG2 4.29Å; L314-V316 PolarHBondContact O-N 3.24Å; L314-L387 HydrophobicContact CD1-CD2 3.77Å; L314-I389 HydrophobicContact CD1-CD1 4.15Å
315	G	95.3	Very high	98.2	Very high	74 Å²	74	55.4 Å²	55.4	76%	0.763	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	21.2	-176.8	0	0	0	0	0	114.7	E312 A313	E312-G315 PolarHBondContact O-N 3.06Å; A313-G315 VanDerWaalsContact C-N 3.32Å
316	V	95.3	Very high	98.2	Very high	65 Å²	65	51.9 Å²	51.9	39%	0.394	28%	0.282	S	S	.	.	S	Bend	trans	-121.8	157.7	178.9	-59.3	0	0	0	0	111.2	V299 L314	V299-V316 HydrophobicContact CG2-CG2 3.74Å; L314-V316 HydrophobicContact CB-CG2 3.82Å; L314-V316 HydrophobicContact CD1-CG2 4.29Å; L314-V316 PolarHBondContact O-N 3.24Å
317	P	97.5	Very high	98.2	Very high	121 Å²	121	52.5 Å²	52.5	79%	0.786	29%	0.286	S	S	*	.			trans	-58.4	141	174.1	-22.8	34	0	0	0	112.1
318	Y	98.5	Very high	98.2	Very high	56 Å²	56	55.9 Å²	55.9	22%	0.22	30%	0.304	C	S	.	.			trans	-140	155	175.3	65	-91.1	0	0	0	111.2	V299 T301 I308 A311 E312 Q320	V299-Y318 CarbonylContact O-C 3.26Å; V299-Y318 WeakPolarHBondContact O-CA 3.2Å; V299-Y318 WeakPolarHBondContact O-CB 3.37Å; T301-Y318 HydrophobicContact CG2-CD2 3.93Å; T301-Y318 HydrophobicContact CG2-CG 4.4Å; I308-Y318 HydrophobicContact CG2-CE2 4.25Å; I308-Y318 WeakPolarHBondContact CG2-OH 3.41Å; A311-Y318 HydrophobicContact CB-CD1 3.94Å; A311-Y318 HydrophobicContact CB-CD2 4.29Å; A311-Y318 HydrophobicContact CB-CE1 4.39Å; A311-Y318 HydrophobicContact CB-CG 3.9Å; E312-Y318 HydrophobicContact CG-CE1 4.35Å; E312-Y318 WeakPolarHBondContact OE1-CE1 3.26Å; E312-Y318 PolarHBondContact OE1-OH 2.72Å; Y318-Q320 HydrophobicContact CD2-CG 4.18Å; Y318-Q320 HydrophobicContact CE2-CG 3.83Å
319	E	98.6	Very high	98.2	Very high	96 Å²	96	54.6 Å²	54.6	45%	0.449	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137	178.9	-64.4	173	-169.3	0	0	110.7	V299 W300 T301 W321	V299-E319 PolarHBondContact O-N 2.78Å; W300-E319 WeakPolarHBondContact CA-O 3.46Å; W300-E319 PolarHBondContact NE1-OE2 3.42Å; T301-E319 PolarHBondContact N-O 3.33Å; T301-E319 PolarHBondContact OG1-O 3.43Å; E319-W321 PolarHBondContact OE2-NE1 2.79Å
320	Q	98.8	Very high	98.1	Very high	90 Å²	90	52.2 Å²	52.2	42%	0.421	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.2	179.9	-57.5	-178.2	24.4	0	0	111	Q303 I308 Y318	Q303-Q320 HydrophobicContact CG-CB 4.12Å; I308-Q320 HydrophobicContact CD1-CG 4.47Å; I308-Q320 HydrophobicContact CG1-CG 4.4Å; Y318-Q320 HydrophobicContact CD2-CG 4.18Å; Y318-Q320 HydrophobicContact CE2-CG 3.83Å
321	W	98.7	Very high	98	Very high	57 Å²	57	54.7 Å²	54.7	22%	0.216	31%	0.306	C	S	.	.			trans	-117.6	115.2	-177.3	-70.8	60.3	0	0	0	109.6	W300 T301 E319 V323 L324 V376 E379	W300-W321 AromaticContact CD1-NE1 3.97Å; T301-W321 PolarHBondContact O-N 3.06Å; E319-W321 PolarHBondContact OE2-NE1 2.79Å; W321-V323 HydrophobicContact CB-CG2 4.14Å; W321-V323 HydrophobicContact CE3-CG2 3.79Å; W321-V323 PolarHBondContact O-N 2.8Å; W321-L324 HydrophobicContact CB-CB 4.19Å; W321-L324 HydrophobicContact CB-CD1 3.78Å; W321-L324 HydrophobicContact CB-CG 3.99Å; W321-L324 HydrophobicContact CG-CD1 4.22Å; W321-L324 WeakPolarHBondContact O-CB 3.49Å; W321-L324 PolarHBondContact O-N 2.81Å; W321-V376 HydrophobicContact CE3-CG2 4.02Å; W321-V376 HydrophobicContact CZ3-CG2 4.36Å; W321-E379 HydrophobicContact CH2-CB 4.02Å; W321-E379 HydrophobicContact CH2-CG 3.9Å; W321-E379 HydrophobicContact CZ2-CG 4.26Å
322	K	98.5	Very high	98	Very high	145 Å²	145	54.6 Å²	54.6	63%	0.63	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-57.9	-36.2	176.9	-172	175.3	178.4	-178.1	0	112.2	Q303 L324 N325	Q303-K322 HydrophobicContact CG-CB 4.39Å; K322-L324 PolarHBondContact O-N 3.44Å; K322-L324 VanDerWaalsContact O-N 3.12Å; K322-N325 VanDerWaalsContact O-CB 3.28Å; K322-N325 WeakPolarHBondContact O-CB 3.37Å; K322-N325 VanDerWaalsContact O-CG 3.26Å; K322-N325 PolarHBondContact O-N 2.86Å
323	V	98.4	Very high	97.9	Very high	45 Å²	45	51.9 Å²	51.9	27%	0.273	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-66	-8.3	176.9	-64.2	0	0	0	0	113.7	W321 R372 L373 V376	W321-V323 HydrophobicContact CB-CG2 4.14Å; W321-V323 HydrophobicContact CE3-CG2 3.79Å; W321-V323 PolarHBondContact O-N 2.8Å; V323-R372 VanDerWaalsContact C-NH1 3.34Å; V323-R372 PolarHBondContact O-NH1 2.68Å; V323-L373 WeakPolarHBondContact O-CD2 3.43Å; V323-V376 HydrophobicContact CB-CG2 4.43Å; V323-V376 HydrophobicContact CG2-CG2 3.48Å; V323-V376 VanDerWaalsContact CG2-CG2 3.48Å
324	L	98.8	Very high	97.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-95.1	1.2	171.4	-75.9	172.8	0	0	0	113.4	W300 S302 W321 K322 L373 V376 V388 C390 H391 V394 L398	W300-L324 HydrophobicContact CB-CD1 4.03Å; S302-L324 WeakPolarHBondContact CB-O 3.27Å; W321-L324 HydrophobicContact CB-CB 4.19Å; W321-L324 HydrophobicContact CB-CD1 3.78Å; W321-L324 HydrophobicContact CB-CG 3.99Å; W321-L324 HydrophobicContact CG-CD1 4.22Å; W321-L324 WeakPolarHBondContact O-CB 3.49Å; W321-L324 PolarHBondContact O-N 2.81Å; K322-L324 PolarHBondContact O-N 3.44Å; K322-L324 VanDerWaalsContact O-N 3.12Å; L324-L373 HydrophobicContact CD2-CD2 3.95Å; L324-V376 HydrophobicContact CD2-CG1 4.11Å; L324-V376 HydrophobicContact CD2-CG2 4.25Å; L324-V376 HydrophobicContact CG-CG2 4.23Å; L324-V388 HydrophobicContact CD1-CG1 4Å; L324-V388 HydrophobicContact CD2-CG1 4.01Å; L324-C390 HydrophobicContact CD2-CB 4.39Å; L324-H391 PolarHBondContact O-CD2 2.96Å; L324-V394 HydrophobicContact CD2-CG1 3.68Å; L324-L398 HydrophobicContact CD2-CD1 4.3Å
325	N	98.8	Very high	97.9	Very high	32 Å²	32	55.7 Å²	55.7	17%	0.171	30%	0.304	C	S	.	.	S	Bend	trans	-58.7	152.1	173.3	-74.9	6	0	0	0	111.1	S302 Q303 M304 K322 R372 V394	S302-N325 WeakPolarHBondContact CB-OD1 3.16Å; Q303-N325 PolarHBondContact N-OD1 2.83Å; M304-N325 HydrophobicContact CE-CB 3.9Å; M304-N325 HydrophobicContact SD-CB 4.19Å; K322-N325 VanDerWaalsContact O-CB 3.28Å; K322-N325 WeakPolarHBondContact O-CB 3.37Å; K322-N325 VanDerWaalsContact O-CG 3.26Å; K322-N325 PolarHBondContact O-N 2.86Å; N325-R372 VanDerWaalsContact O-CZ 3.26Å; N325-R372 PolarHBondContact O-NH1 3.26Å; N325-R372 PolarHBondContact O-NH2 3.16Å; N325-V394 WeakPolarHBondContact O-CG2 3.27Å
326	E	98.7	Very high	98	Very high	29 Å²	29	52.8 Å²	52.8	14%	0.136	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-58.1	158.3	176.8	-171.7	55.3	-59	0	0	111.2	M304 D328 R372 H391 Q392 A393 V394	M304-E326 HydrophobicContact CE-CB 4.19Å; M304-E326 HydrophobicContact SD-CB 3.98Å; M304-E326 PolarHBondContact SD-N 2.94Å; E326-D328 PolarHBondContact O-N 3.08Å; E326-R372 PolarHBondContact O-NH2 3.04Å; E326-H391 HydrophobicContact CB-CB 3.69Å; E326-H391 HydrophobicContact CG-CB 3.86Å; E326-H391 PolarHBondContact N-CD2 3.46Å; E326-H391 VanDerWaalsContact N-CD2 3.26Å; E326-H391 WeakPolarHBondContact OE1-CB 3.25Å; E326-H391 WeakPolarHBondContact OE2-CB 3.24Å; E326-Q392 PolarHBondContact OE2-N 3.49Å; E326-A393 WeakPolarHBondContact OE1-CB 3.42Å; E326-A393 PolarHBondContact OE1-N 2.89Å; E326-A393 VanDerWaalsContact OE1-N 3.09Å; E326-A393 PolarHBondContact OE2-N 2.9Å; E326-V394 PolarHBondContact OE1-N 3.3Å
327	I	98.6	Very high	98	Very high	21 Å²	21	50.9 Å²	50.9	11%	0.108	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-52.7	130.2	171.6	-166.4	171	0	0	0	110.5	A329 E364 Y366 L369 A393	I327-A329 PolarHBondContact O-N 3.38Å; I327-E364 WeakPolarHBondContact CA-OE2 3.11Å; I327-E364 HydrophobicContact CD1-CB 4.45Å; I327-E364 HydrophobicContact CG1-CB 3.72Å; I327-Y366 HydrophobicContact CD1-CD2 4.23Å; I327-Y366 HydrophobicContact CD1-CE2 4.44Å; I327-L369 HydrophobicContact CB-CD2 4.34Å; I327-A393 HydrophobicContact CB-CB 3.83Å; I327-A393 HydrophobicContact CG2-CB 3.58Å
328	D	98.5	Very high	97.8	Very high	71 Å²	71	47.6 Å²	47.6	38%	0.38	23%	0.232	S	C	.	.			trans	-75.8	115	178.1	-169.9	-22	0	0	0	110.3	E326 G330 G363 E364	E326-D328 PolarHBondContact O-N 3.08Å; D328-G330 PolarHBondContact O-N 3.47Å; D328-G330 WeakPolarHBondContact OD1-CA 3.47Å; D328-G330 PolarHBondContact OD1-N 3.2Å; D328-G363 CarbonylContact O-C 3.52Å; D328-G363 WeakPolarHBondContact O-CA 3.38Å; D328-E364 HydrophobicContact CB-CB 4.35Å; D328-E364 HydrophobicContact CB-CG 3.95Å; D328-E364 PolarHBondContact N-OE2 3.34Å; D328-E364 PolarHBondContact O-N 3.3Å
329	A	98.2	Very high	97.7	Very high	2 Å²	2	47.6 Å²	47.6	2%	0.017	23%	0.234	C	C	.	.			trans	-83.1	4.1	177.5	0	0	0	0	0	113.4	I268 I327 V331 C332 E333 Y360	I268-A329 HydrophobicContact CD1-CB 3.63Å; I268-A329 HydrophobicContact CG1-CB 4.25Å; I327-A329 PolarHBondContact O-N 3.38Å; A329-V331 PolarHBondContact O-N 3.04Å; A329-C332 HydrophobicContact CB-CB 4.15Å; A329-C332 WeakPolarHBondContact O-CB 3.34Å; A329-C332 PolarHBondContact O-N 2.96Å; A329-E333 HydrophobicContact CB-CG 4.21Å; A329-E333 VanDerWaalsContact CB-OE1 3.24Å; A329-E333 WeakPolarHBondContact CB-OE1 3.5Å; A329-E333 PolarHBondContact N-OE1 2.76Å; A329-Y360 HydrophobicContact CB-CD1 4.21Å; A329-Y360 HydrophobicContact CB-CD2 4.32Å; A329-Y360 HydrophobicContact CB-CE1 4.2Å; A329-Y360 HydrophobicContact CB-CE2 4.32Å; A329-Y360 HydrophobicContact CB-CG 4.26Å; A329-Y360 WeakPolarHBondContact O-CB 3.17Å; A329-Y360 WeakPolarHBondContact O-CD1 3.34Å
330	G	97.7	Very high	97.6	Very high	18 Å²	18	43.2 Å²	43.2	19%	0.186	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	55.3	-119.9	176.2	0	0	0	0	0	112.2	D328 C332 E333 P361	D328-G330 PolarHBondContact O-N 3.47Å; D328-G330 WeakPolarHBondContact OD1-CA 3.47Å; D328-G330 PolarHBondContact OD1-N 3.2Å; G330-C332 PolarHBondContact O-N 2.72Å; G330-C332 VanDerWaalsContact O-N 3.15Å; G330-E333 WeakPolarHBondContact O-CB 3.44Å; G330-E333 WeakPolarHBondContact O-CG 3.49Å; G330-E333 PolarHBondContact O-N 3.48Å; G330-P361 WeakPolarHBondContact CA-O 3.47Å
331	V	97.5	Very high	97.3	Very high	51 Å²	51	39.7 Å²	39.7	31%	0.309	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-66.5	-11.7	177.9	-56.5	0	0	0	0	114.2	A329 P361 K362	A329-V331 PolarHBondContact O-N 3.04Å; V331-P361 HydrophobicContact CG1-CB 4.44Å; V331-P361 HydrophobicContact CG2-CB 3.77Å; V331-P361 HydrophobicContact CG2-CG 3.94Å; V331-P361 PolarHBondContact N-O 2.8Å; V331-K362 HydrophobicContact CG1-CD 4.13Å; V331-K362 HydrophobicContact CG1-CG 4.44Å
332	C	97.7	Very high	97	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-99	5.9	178.9	-58.5	0	0	0	0	113.4	I268 A329 G330 M335 I340 Y360	I268-C332 HydrophobicContact CD1-CB 4.41Å; I268-C332 WeakPolarHBondContact CG1-O 3.2Å; A329-C332 HydrophobicContact CB-CB 4.15Å; A329-C332 WeakPolarHBondContact O-CB 3.34Å; A329-C332 PolarHBondContact O-N 2.96Å; G330-C332 PolarHBondContact O-N 2.72Å; G330-C332 VanDerWaalsContact O-N 3.15Å; C332-M335 HydrophobicContact CB-SD 4.43Å; C332-M335 PolarHBondContact O-N 3.4Å; C332-I340 HydrophobicContact CB-CD1 3.91Å; C332-I340 HydrophobicContact CB-CG1 4.04Å; C332-Y360 HydrophobicContact CB-CD1 3.84Å; C332-Y360 HydrophobicContact CB-CE1 3.82Å
333	E	97.4	Very high	96.9	Very high	54 Å²	54	40.5 Å²	40.5	25%	0.252	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	143.5	173	-76.5	-72.4	121.2	0	0	111.2	G269 G270 A329 G330 M335	G269-E333 WeakPolarHBondContact CA-OE1 2.9Å; G269-E333 WeakPolarHBondContact CA-OE2 3.49Å; G270-E333 PolarHBondContact N-OE2 3.08Å; A329-E333 HydrophobicContact CB-CG 4.21Å; A329-E333 VanDerWaalsContact CB-OE1 3.24Å; A329-E333 WeakPolarHBondContact CB-OE1 3.5Å; A329-E333 PolarHBondContact N-OE1 2.76Å; G330-E333 WeakPolarHBondContact O-CB 3.44Å; G330-E333 WeakPolarHBondContact O-CG 3.49Å; G330-E333 PolarHBondContact O-N 3.48Å; E333-M335 PolarHBondContact O-N 3.02Å; E333-M335 VanDerWaalsContact O-N 3.12Å
334	E	97.1	Very high	96.7	Very high	114 Å²	114	42.5 Å²	42.5	53%	0.533	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	9.4	-179.1	-54.9	-172.8	-174	0	0	115.8	L262 R267 I268	L262-E334 HydrophobicContact CD1-CG 4.41Å; R267-E334 WeakPolarHBondContact CD-O 3.26Å; R267-E334 WeakPolarHBondContact CG-O 3.39Å; R267-E334 PolarHBondContact NH1-O 3.25Å; I268-E334 WeakPolarHBondContact O-CA 3.4Å; I268-E334 PolarHBondContact O-N 2.95Å
335	M	97.5	Very high	96.4	Very high	28 Å²	28	45.8 Å²	45.8	14%	0.138	24%	0.236	C	C	.	.			trans	-93	154.1	177.3	-59.3	-178.4	80.9	0	0	112.6	R267 I268 C332 E333 E339 I340 N343 Y344	R267-M335 CarbonylContact C-O 3.54Å; R267-M335 WeakPolarHBondContact CA-O 3.37Å; I268-M335 PolarHBondContact N-O 2.68Å; C332-M335 HydrophobicContact CB-SD 4.43Å; C332-M335 PolarHBondContact O-N 3.4Å; E333-M335 PolarHBondContact O-N 3.02Å; E333-M335 VanDerWaalsContact O-N 3.12Å; M335-E339 VanDerWaalsContact CA-OE2 3.26Å; M335-E339 WeakPolarHBondContact CA-OE2 3.19Å; M335-E339 HydrophobicContact CB-CB 4.24Å; M335-E339 HydrophobicContact CE-CB 3.86Å; M335-I340 HydrophobicContact CB-CD1 4.26Å; M335-I340 HydrophobicContact CB-CG1 3.8Å; M335-I340 HydrophobicContact SD-CG1 4.27Å; M335-N343 HydrophobicContact CE-CB 4.03Å; M335-N343 VanDerWaalsContact CE-ND2 3.27Å; M335-N343 WeakPolarHBondContact CE-ND2 3.5Å; M335-Y344 HydrophobicContact CE-CD2 4.39Å; M335-Y344 HydrophobicContact CE-CE2 4.02Å; M335-Y344 HydrophobicContact SD-CD2 4.41Å; M335-Y344 HydrophobicContact SD-CE2 3.88Å
336	T	96.6	Very high	96	Very high	14 Å²	14	48.5 Å²	48.5	9%	0.086	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-79.9	165.2	164	80.6	0	0	0	0	111.1	G266 R267 E338 E339 I340	G266-T336 WeakPolarHBondContact O-CA 3.47Å; R267-T336 HydrophobicContact CG-CG2 3.64Å; T336-E338 VanDerWaalsContact C-N 3.26Å; T336-E338 WeakPolarHBondContact CB-OE2 3.46Å; T336-E338 PolarHBondContact O-N 2.84Å; T336-E338 PolarHBondContact OG1-N 3.3Å; T336-E338 PolarHBondContact OG1-OE2 2.68Å; T336-E339 PolarHBondContact N-OE2 3.43Å; T336-E339 PolarHBondContact O-N 2.95Å; T336-E339 WeakPolarHBondContact OG1-CG 3.48Å; T336-E339 PolarHBondContact OG1-N 3.44Å; T336-E339 VanDerWaalsContact OG1-N 3.14Å; T336-I340 VanDerWaalsContact O-CG1 3.27Å; T336-I340 WeakPolarHBondContact O-CG1 3.36Å; T336-I340 PolarHBondContact O-N 3.04Å
337	Y	95.1	Very high	95.8	Very high	24 Å²	24	48.6 Å²	48.6	9%	0.094	25%	0.251	C	S	.	.	H	α-helix	trans	-65.1	-32.8	175.9	-76.9	-67.6	0	0	0	112.5	I268 I340 Q341 F348 V465	I268-Y337 HydrophobicContact CG2-CE1 4.37Å; I268-Y337 HydrophobicContact CG2-CE2 3.95Å; Y337-I340 PolarHBondContact O-N 3.18Å; Y337-Q341 WeakPolarHBondContact O-CB 3.3Å; Y337-Q341 PolarHBondContact O-N 3.49Å; Y337-F348 HydrophobicContact CD1-CE2 4.03Å; Y337-F348 WeakPolarHBondContact O-CE2 3.4Å; Y337-V465 HydrophobicContact CD2-CG1 3.98Å; Y337-V465 HydrophobicContact CG-CG1 4.25Å; Y337-V465 HydrophobicContact CG-CG2 4.24Å
338	E	94.7	Very high	95.5	Very high	53 Å²	53	47.9 Å²	47.9	25%	0.248	25%	0.247	C	C	.	.	H	α-helix	trans	-63.9	-48.8	173.6	-56.3	77.1	-169.5	0	0	110.3	T336 I340 Q341 D342 L462 V465 H468	T336-E338 VanDerWaalsContact C-N 3.26Å; T336-E338 WeakPolarHBondContact CB-OE2 3.46Å; T336-E338 PolarHBondContact O-N 2.84Å; T336-E338 PolarHBondContact OG1-N 3.3Å; T336-E338 PolarHBondContact OG1-OE2 2.68Å; E338-I340 VanDerWaalsContact C-N 3.27Å; E338-I340 PolarHBondContact O-N 3.26Å; E338-Q341 PolarHBondContact O-N 2.78Å; E338-Q341 VanDerWaalsContact O-N 3.11Å; E338-D342 PolarHBondContact O-N 3.33Å; E338-L462 HydrophobicContact CG-CD1 4.24Å; E338-L462 HydrophobicContact CG-CD2 4.33Å; E338-V465 WeakPolarHBondContact OE1-CG1 3.38Å; E338-H468 IonicContact OE1-CD2 3.96Å; E338-H468 IonicContact OE1-CE1 3.91Å; E338-H468 IonicContact OE1-NE2 2.87Å; E338-H468 PolarHBondContact OE1-NE2 3.3Å; E338-H468 IonicContact OE2-NE2 2.92Å; E338-H468 PolarHBondContact OE2-NE2 3.38Å
339	E	96.1	Very high	95.2	Very high	56 Å²	56	44.7 Å²	44.7	26%	0.262	23%	0.23	S	C	.	.	H	α-helix	trans	-61.3	-35.2	175.9	-68.4	172.5	156.5	0	0	112.1	R267 M335 T336 N343	R267-E339 IonicContact CZ-OE1 3.27Å; R267-E339 IonicContact CZ-OE2 3.54Å; R267-E339 IonicContact NH1-OE1 2.73Å; R267-E339 PolarHBondContact NH1-OE1 3.03Å; R267-E339 IonicContact NH1-OE2 3.45Å; R267-E339 PolarHBondContact NH1-OE2 3.32Å; R267-E339 IonicContact NH2-OE1 3.42Å; R267-E339 PolarHBondContact NH2-OE1 3.28Å; R267-E339 IonicContact NH2-OE2 3.78Å; M335-E339 VanDerWaalsContact CA-OE2 3.26Å; M335-E339 WeakPolarHBondContact CA-OE2 3.19Å; M335-E339 HydrophobicContact CB-CB 4.24Å; M335-E339 HydrophobicContact CE-CB 3.86Å; T336-E339 PolarHBondContact N-OE2 3.43Å; T336-E339 PolarHBondContact O-N 2.95Å; T336-E339 WeakPolarHBondContact OG1-CG 3.48Å; T336-E339 PolarHBondContact OG1-N 3.44Å; T336-E339 VanDerWaalsContact OG1-N 3.14Å; E339-N343 VanDerWaalsContact O-CB 3.27Å; E339-N343 WeakPolarHBondContact O-CB 3.43Å; E339-N343 PolarHBondContact O-N 2.97Å; E339-N343 PolarHBondContact O-ND2 3.43Å
340	I	95.8	Very high	95	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-68.7	-42.1	175.2	-64.7	164.4	0	0	0	110.7	I268 C332 M335 T336 Y337 E338 D342 Y344 F348	I268-I340 HydrophobicContact CD1-CD1 3.55Å; I268-I340 HydrophobicContact CG1-CD1 4.26Å; C332-I340 HydrophobicContact CB-CD1 3.91Å; C332-I340 HydrophobicContact CB-CG1 4.04Å; M335-I340 HydrophobicContact CB-CD1 4.26Å; M335-I340 HydrophobicContact CB-CG1 3.8Å; M335-I340 HydrophobicContact SD-CG1 4.27Å; T336-I340 VanDerWaalsContact O-CG1 3.27Å; T336-I340 WeakPolarHBondContact O-CG1 3.36Å; T336-I340 PolarHBondContact O-N 3.04Å; Y337-I340 PolarHBondContact O-N 3.18Å; E338-I340 VanDerWaalsContact C-N 3.27Å; E338-I340 PolarHBondContact O-N 3.26Å; I340-D342 VanDerWaalsContact C-N 3.33Å; I340-Y344 CarbonylContact O-C 3.59Å; I340-Y344 VanDerWaalsContact O-CA 3.26Å; I340-Y344 WeakPolarHBondContact O-CA 3.35Å; I340-Y344 WeakPolarHBondContact O-CB 3.34Å; I340-Y344 PolarHBondContact O-N 3.44Å; I340-F348 HydrophobicContact CB-CD2 4.29Å; I340-F348 HydrophobicContact CG2-CB 4.36Å; I340-F348 HydrophobicContact CG2-CD2 3.96Å
341	Q	93	Very high	94.9	Very high	15 Å²	15	45.2 Å²	45.2	7%	0.07	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-40.8	176.7	175.2	59.7	30.6	0	0	111.3	Y337 E338 P345 F348 P458 L462	Y337-Q341 WeakPolarHBondContact O-CB 3.3Å; Y337-Q341 PolarHBondContact O-N 3.49Å; E338-Q341 PolarHBondContact O-N 2.78Å; E338-Q341 VanDerWaalsContact O-N 3.11Å; Q341-P345 VanDerWaalsContact O-CA 3.3Å; Q341-P345 WeakPolarHBondContact O-CA 3.49Å; Q341-P345 WeakPolarHBondContact O-CB 3.36Å; Q341-P345 WeakPolarHBondContact O-CD 3.25Å; Q341-F348 HydrophobicContact CB-CD2 3.96Å; Q341-F348 HydrophobicContact CB-CE2 4.21Å; Q341-F348 HydrophobicContact CB-CG 4.18Å; Q341-F348 VanDerWaalsContact OE1-CB 3.29Å; Q341-P458 HydrophobicContact CG-CB 4.26Å; Q341-L462 HydrophobicContact CB-CD2 4.07Å; Q341-L462 HydrophobicContact CG-CD1 4.49Å; Q341-L462 HydrophobicContact CG-CD2 4.38Å; Q341-L462 HydrophobicContact CG-CG 4.37Å
342	D	93.3	Very high	94.7	Very high	118 Å²	118	42.9 Å²	42.9	63%	0.631	21%	0.213	S	C	*	.	H	α-helix	trans	-71.7	-45.5	-179.4	-69.1	-19	0	0	0	112.2	E338 I340	E338-D342 PolarHBondContact O-N 3.33Å; I340-D342 VanDerWaalsContact C-N 3.33Å
343	N	94.9	Very high	94.4	Very high	101 Å²	101	46.5 Å²	46.5	54%	0.54	23%	0.23	S	C	.	.	H	α-helix	trans	-86.1	-29	-175.3	-65.5	-62.5	0	0	0	113.5	M335 E339	M335-N343 HydrophobicContact CE-CB 4.03Å; M335-N343 VanDerWaalsContact CE-ND2 3.27Å; M335-N343 WeakPolarHBondContact CE-ND2 3.5Å; E339-N343 VanDerWaalsContact O-CB 3.27Å; E339-N343 WeakPolarHBondContact O-CB 3.43Å; E339-N343 PolarHBondContact O-N 2.97Å; E339-N343 PolarHBondContact O-ND2 3.43Å
344	Y	94.3	Very high	94.3	Very high	88 Å²	88	45.7 Å²	45.7	35%	0.345	23%	0.227	S	C	.	.			trans	-137.9	58.4	-175	-52.7	-75.9	0	0	0	112.4	M335 I340 L346 E347 F348	M335-Y344 HydrophobicContact CE-CD2 4.39Å; M335-Y344 HydrophobicContact CE-CE2 4.02Å; M335-Y344 HydrophobicContact SD-CD2 4.41Å; M335-Y344 HydrophobicContact SD-CE2 3.88Å; I340-Y344 CarbonylContact O-C 3.59Å; I340-Y344 VanDerWaalsContact O-CA 3.26Å; I340-Y344 WeakPolarHBondContact O-CA 3.35Å; I340-Y344 WeakPolarHBondContact O-CB 3.34Å; I340-Y344 PolarHBondContact O-N 3.44Å; Y344-L346 VanDerWaalsContact C-N 3.29Å; Y344-L346 PolarHBondContact O-N 2.83Å; Y344-E347 PolarHBondContact O-N 3.46Å; Y344-F348 PolarHBondContact O-N 2.99Å
345	P	92	Very high	94.3	Very high	68 Å²	68	40.5 Å²	40.5	44%	0.442	20%	0.203	S	C	.	.	H	α-helix	trans	-58.7	-37.3	-173.2	21.4	-33.4	0	0	0	113.5	Q341 F348 A349	Q341-P345 VanDerWaalsContact O-CA 3.3Å; Q341-P345 WeakPolarHBondContact O-CA 3.49Å; Q341-P345 WeakPolarHBondContact O-CB 3.36Å; Q341-P345 WeakPolarHBondContact O-CD 3.25Å; P345-F348 PolarHBondContact O-N 2.68Å; P345-A349 PolarHBondContact O-N 3.01Å; P345-A349 VanDerWaalsContact O-N 3.08Å
346	L	91.5	Very high	94.3	Very high	90 Å²	90	39.9 Å²	39.9	47%	0.471	20%	0.199	S	C	.	.	H	α-helix	trans	-64.5	-43.4	176.6	178.5	63	0	0	0	111.9	Y344 A349 L350 I454	Y344-L346 VanDerWaalsContact C-N 3.29Å; Y344-L346 PolarHBondContact O-N 2.83Å; L346-A349 PolarHBondContact O-N 3.45Å; L346-L350 HydrophobicContact CD1-CD1 4.19Å; L346-L350 HydrophobicContact CD1-CG 4.21Å; L346-L350 HydrophobicContact CG-CD1 3.93Å; L346-L350 HydrophobicContact CG-CG 4.38Å; L346-L350 WeakPolarHBondContact O-CB 3.41Å; L346-L350 VanDerWaalsContact O-CG 3.25Å; L346-L350 WeakPolarHBondContact O-CG 3.39Å; L346-L350 PolarHBondContact O-N 2.94Å; L346-I454 HydrophobicContact CD1-CD1 3.91Å; L346-I454 HydrophobicContact CD1-CG1 4.22Å; L346-I454 HydrophobicContact CD1-CG2 3.85Å
347	E	94.2	Very high	94.3	Very high	31 Å²	31	43.3 Å²	43.3	15%	0.145	21%	0.211	C	C	.	.	H	α-helix	trans	-66.7	-40	179.4	-65.9	-63	145.4	0	0	111.1	K14 Y344 A349 L350 R351 Y358 P361	K14-E347 WeakPolarHBondContact CE-OE1 3.25Å; K14-E347 WeakPolarHBondContact CE-OE2 2.99Å; K14-E347 IonicContact NZ-OE1 2.88Å; K14-E347 PolarHBondContact NZ-OE1 3.46Å; K14-E347 IonicContact NZ-OE2 3.8Å; K14-E347 PolarHBondContact NZ-OE2 3.1Å; Y344-E347 PolarHBondContact O-N 3.46Å; E347-A349 PolarHBondContact O-N 3.23Å; E347-L350 PolarHBondContact O-N 2.84Å; E347-R351 WeakPolarHBondContact O-CB 3.48Å; E347-R351 PolarHBondContact O-N 2.86Å; E347-Y358 HydrophobicContact CB-CE2 4.45Å; E347-Y358 WeakPolarHBondContact O-CE2 3.41Å; E347-Y358 VanDerWaalsContact OE2-CE2 3.24Å; E347-Y358 WeakPolarHBondContact OE2-CE2 3.46Å; E347-Y358 PolarHBondContact OE2-OH 3.28Å; E347-P361 HydrophobicContact CG-CG 4.14Å
348	F	93.4	Very high	94.4	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-45.7	174.8	-167.2	-80.9	0	0	0	111.7	Y337 I340 Q341 Y344 P345 D352 R446 A461 L462 V465	Y337-F348 HydrophobicContact CD1-CE2 4.03Å; Y337-F348 WeakPolarHBondContact O-CE2 3.4Å; I340-F348 HydrophobicContact CB-CD2 4.29Å; I340-F348 HydrophobicContact CG2-CB 4.36Å; I340-F348 HydrophobicContact CG2-CD2 3.96Å; Q341-F348 HydrophobicContact CB-CD2 3.96Å; Q341-F348 HydrophobicContact CB-CE2 4.21Å; Q341-F348 HydrophobicContact CB-CG 4.18Å; Q341-F348 VanDerWaalsContact OE1-CB 3.29Å; Y344-F348 PolarHBondContact O-N 2.99Å; P345-F348 PolarHBondContact O-N 2.68Å; F348-D352 PolarHBondContact O-N 2.99Å; F348-R446 VanDerWaalsContact CE1-NH2 3.33Å; F348-A461 HydrophobicContact CD1-CB 4.25Å; F348-A461 HydrophobicContact CE1-CB 3.84Å; F348-L462 HydrophobicContact CE2-CD2 4.33Å; F348-L462 HydrophobicContact CZ-CD2 4.03Å; F348-V465 HydrophobicContact CZ-CG2 4.31Å
349	A	91.6	Very high	94.6	Very high	3 Å²	3	42.7 Å²	42.7	3%	0.025	21%	0.206	C	C	.	.	H	α-helix	trans	-67	-45.3	177	0	0	0	0	0	112.9	P345 L346 E347 R351 D352 Q353 I454	P345-A349 PolarHBondContact O-N 3.01Å; P345-A349 VanDerWaalsContact O-N 3.08Å; L346-A349 PolarHBondContact O-N 3.45Å; E347-A349 PolarHBondContact O-N 3.23Å; A349-R351 VanDerWaalsContact C-N 3.26Å; A349-R351 PolarHBondContact O-N 3.46Å; A349-D352 PolarHBondContact O-N 3.23Å; A349-Q353 WeakPolarHBondContact O-CG 3.23Å; A349-Q353 PolarHBondContact O-N 3.06Å; A349-Q353 VanDerWaalsContact O-N 3.14Å; A349-I454 HydrophobicContact CB-CB 4.12Å; A349-I454 HydrophobicContact CB-CG1 3.66Å; A349-I454 HydrophobicContact CB-CG2 4.4Å
350	L	93.5	Very high	94.7	Very high	13 Å²	13	40.4 Å²	40.4	7%	0.068	20%	0.195	C	C	.	.	H	α-helix	trans	-58.8	-39.3	177.2	-74.5	171.6	0	0	0	111.9	P11 L12 L346 E347 D352 Q353 D354 Y358 I454	P11-L350 HydrophobicContact CB-CD1 3.84Å; L12-L350 HydrophobicContact CD1-CB 4.44Å; L12-L350 WeakPolarHBondContact CD1-O 3.46Å; L346-L350 HydrophobicContact CD1-CD1 4.19Å; L346-L350 HydrophobicContact CD1-CG 4.21Å; L346-L350 HydrophobicContact CG-CD1 3.93Å; L346-L350 HydrophobicContact CG-CG 4.38Å; L346-L350 WeakPolarHBondContact O-CB 3.41Å; L346-L350 VanDerWaalsContact O-CG 3.25Å; L346-L350 WeakPolarHBondContact O-CG 3.39Å; L346-L350 PolarHBondContact O-N 2.94Å; E347-L350 PolarHBondContact O-N 2.84Å; L350-D352 VanDerWaalsContact C-N 3.28Å; L350-D352 PolarHBondContact O-N 3.26Å; L350-Q353 PolarHBondContact O-N 3.11Å; L350-D354 PolarHBondContact O-N 3.25Å; L350-Y358 HydrophobicContact CB-CD2 4Å; L350-Y358 HydrophobicContact CB-CE2 4.16Å; L350-I454 HydrophobicContact CD2-CD1 4.43Å
351	R	96	Very high	94.7	Very high	19 Å²	19	41.5 Å²	41.5	7%	0.072	20%	0.202	C	C	.	.	H	α-helix	trans	-63.5	-34	175.4	-175.6	172.7	179.8	-94.2	18.6	112.9	E347 A349 K355 Y358 Y360	E347-R351 WeakPolarHBondContact O-CB 3.48Å; E347-R351 PolarHBondContact O-N 2.86Å; A349-R351 VanDerWaalsContact C-N 3.26Å; A349-R351 PolarHBondContact O-N 3.46Å; R351-K355 HydrophobicContact CG-CG 4.28Å; R351-K355 WeakPolarHBondContact O-CA 3.47Å; R351-K355 VanDerWaalsContact O-CB 3.25Å; R351-K355 WeakPolarHBondContact O-CB 3.19Å; R351-K355 PolarHBondContact O-N 2.88Å; R351-K355 VanDerWaalsContact O-N 3.11Å; R351-Y358 VanDerWaalsContact CA-CG 3.48Å; R351-Y358 HydrophobicContact CB-CD1 3.62Å; R351-Y358 HydrophobicContact CB-CD2 3.82Å; R351-Y358 HydrophobicContact CB-CE1 3.77Å; R351-Y358 HydrophobicContact CB-CE2 3.94Å; R351-Y358 HydrophobicContact CB-CG 3.65Å; R351-Y358 HydrophobicContact CG-CD1 3.51Å; R351-Y358 HydrophobicContact CG-CE1 3.84Å; R351-Y358 HydrophobicContact CG-CG 3.91Å; R351-Y360 WeakPolarHBondContact CD-OH 3.46Å; R351-Y360 PolarHBondContact NE-OH 3.02Å; R351-Y360 PolarHBondContact NH2-OH 3.09Å
352	D	93.3	Very high	94.9	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-76.3	-28.7	179.3	-80	-9.7	0	0	0	113.4	F348 A349 L350 R446 P449 V452 R456	F348-D352 PolarHBondContact O-N 2.99Å; A349-D352 PolarHBondContact O-N 3.23Å; L350-D352 VanDerWaalsContact C-N 3.28Å; L350-D352 PolarHBondContact O-N 3.26Å; D352-R446 IonicContact OD1-CZ 3.13Å; D352-R446 IonicContact OD1-NH1 3.46Å; D352-R446 PolarHBondContact OD1-NH1 3.26Å; D352-R446 IonicContact OD1-NH2 3.05Å; D352-R446 PolarHBondContact OD1-NH2 3.46Å; D352-R446 IonicContact OD2-CZ 3.94Å; D352-R446 IonicContact OD2-NH1 2.83Å; D352-R446 PolarHBondContact OD2-NH1 2.97Å; D352-R446 IonicContact OD2-NH2 2.68Å; D352-R446 PolarHBondContact OD2-NH2 3.06Å; D352-P449 HydrophobicContact CB-CG 3.88Å; D352-P449 WeakPolarHBondContact OD2-CG 3.42Å; D352-V452 HydrophobicContact CB-CB 4.38Å; D352-V452 HydrophobicContact CB-CG1 4.09Å; D352-V452 WeakPolarHBondContact O-CG1 3.38Å; D352-R456 IonicContact OD2-CZ 2.75Å; D352-R456 VanDerWaalsContact OD2-CZ 3.28Å; D352-R456 IonicContact OD2-NH1 3.38Å; D352-R456 PolarHBondContact OD2-NH1 3.25Å; D352-R456 IonicContact OD2-NH2 3.69Å; D352-R456 PolarHBondContact OD2-NH2 3.04Å
353	Q	92.1	Very high	95.1	Very high	77 Å²	77	45 Å²	45	36%	0.36	22%	0.216	S	C	.	.	H	α-helix	trans	-67.1	-49.5	177.4	-70.5	177.4	1.3	0	0	112.6	A349 L350 V452	A349-Q353 WeakPolarHBondContact O-CG 3.23Å; A349-Q353 PolarHBondContact O-N 3.06Å; A349-Q353 VanDerWaalsContact O-N 3.14Å; L350-Q353 PolarHBondContact O-N 3.11Å; Q353-V452 HydrophobicContact CG-CB 3.89Å; Q353-V452 HydrophobicContact CG-CG2 3.92Å; Q353-V452 WeakPolarHBondContact CG-O 3.44Å; Q353-V452 PolarHBondContact NE2-O 3.04Å
354	D	94.1	Very high	95.3	Very high	36 Å²	36	42.1 Å²	42.1	19%	0.193	20%	0.199	C	C	.	.			trans	-141	81.5	175.6	-174.3	-12.5	0	0	0	110.2	L12 L350 Y356 R357 Y358	L12-D354 HydrophobicContact CD1-CB 4.19Å; L12-D354 HydrophobicContact CD2-CB 3.96Å; L350-D354 PolarHBondContact O-N 3.25Å; D354-Y356 PolarHBondContact O-N 2.9Å; D354-Y356 VanDerWaalsContact O-N 3.16Å; D354-Y356 PolarHBondContact OD1-N 3.32Å; D354-R357 PolarHBondContact O-N 2.96Å; D354-R357 PolarHBondContact OD1-N 2.95Å; D354-R357 VanDerWaalsContact OD1-N 3.08Å; D354-R357 IonicContact OD1-NH1 3.08Å; D354-R357 WeakPolarHBondContact OD2-CB 3.33Å; D354-R357 VanDerWaalsContact OD2-CD 3.24Å; D354-R357 WeakPolarHBondContact OD2-CD 3.49Å; D354-R357 VanDerWaalsContact OD2-CG 3.32Å; D354-R357 WeakPolarHBondContact OD2-CG 3.39Å; D354-R357 IonicContact OD2-CZ 3.71Å; D354-R357 IonicContact OD2-NE 2.73Å; D354-R357 IonicContact OD2-NH1 3.29Å; D354-R357 PolarHBondContact OD2-NH1 3.05Å; D354-Y358 WeakPolarHBondContact O-CB 3.3Å; D354-Y358 PolarHBondContact O-N 2.86Å
355	K	97.1	Very high	95.5	Very high	5 Å²	5	38 Å²	38	2%	0.022	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.6	-177.6	-163.7	177.1	176.2	-164.5	0	113.7	R351 Y366 P411 Y412	R351-K355 HydrophobicContact CG-CG 4.28Å; R351-K355 WeakPolarHBondContact O-CA 3.47Å; R351-K355 VanDerWaalsContact O-CB 3.25Å; R351-K355 WeakPolarHBondContact O-CB 3.19Å; R351-K355 PolarHBondContact O-N 2.88Å; R351-K355 VanDerWaalsContact O-N 3.11Å; K355-Y366 HydrophobicContact CG-CE2 4.45Å; K355-Y366 WeakPolarHBondContact O-CD2 3.25Å; K355-P411 HydrophobicContact CB-CB 4.04Å; K355-P411 HydrophobicContact CB-CG 4.33Å; K355-P411 HydrophobicContact CD-CB 3.68Å; K355-P411 HydrophobicContact CG-CB 3.76Å; K355-P411 HydrophobicContact CG-CG 4.45Å; K355-P411 PolarHBondContact NZ-O 3.13Å; K355-Y412 HydrophobicContact CB-CE2 4.26Å; K355-Y412 WeakPolarHBondContact CB-OH 3.41Å; K355-Y412 HydrophobicContact CD-CD1 4.29Å; K355-Y412 HydrophobicContact CD-CE1 3.54Å; K355-Y412 HydrophobicContact CD-CE2 4.21Å
356	Y	97.2	Very high	95.8	Very high	16 Å²	16	35 Å²	35	6%	0.063	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-47.8	178.7	178.4	-101.5	0	0	0	111	D354 Y366 E367 V370 A407 L410 P411	D354-Y356 PolarHBondContact O-N 2.9Å; D354-Y356 VanDerWaalsContact O-N 3.16Å; D354-Y356 PolarHBondContact OD1-N 3.32Å; Y356-Y366 PolarHBondContact O-N 3.05Å; Y356-E367 HydrophobicContact CD1-CB 4.48Å; Y356-E367 HydrophobicContact CE1-CB 3.9Å; Y356-E367 HydrophobicContact CE1-CG 4.21Å; Y356-E367 PolarHBondContact O-N 2.86Å; Y356-V370 HydrophobicContact CE2-CG2 4.26Å; Y356-A407 WeakPolarHBondContact CB-O 3.46Å; Y356-A407 HydrophobicContact CD1-CB 3.79Å; Y356-A407 HydrophobicContact CD2-CB 4.04Å; Y356-A407 WeakPolarHBondContact CD2-O 3.46Å; Y356-A407 HydrophobicContact CE1-CB 3.73Å; Y356-A407 HydrophobicContact CE2-CB 3.98Å; Y356-A407 HydrophobicContact CG-CB 3.96Å; Y356-L410 HydrophobicContact CE2-CD1 4.13Å; Y356-P411 HydrophobicContact CD2-CG 4.32Å
357	R	96.6	Very high	96	Very high	86 Å²	86	33.4 Å²	33.4	33%	0.325	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-17.3	-175.3	-58.6	-172.7	179.5	86.5	-0.5	114.5	L12 D354 R359	L12-R357 HydrophobicContact CD2-CB 4.15Å; D354-R357 PolarHBondContact O-N 2.96Å; D354-R357 PolarHBondContact OD1-N 2.95Å; D354-R357 VanDerWaalsContact OD1-N 3.08Å; D354-R357 IonicContact OD1-NH1 3.08Å; D354-R357 WeakPolarHBondContact OD2-CB 3.33Å; D354-R357 VanDerWaalsContact OD2-CD 3.24Å; D354-R357 WeakPolarHBondContact OD2-CD 3.49Å; D354-R357 VanDerWaalsContact OD2-CG 3.32Å; D354-R357 WeakPolarHBondContact OD2-CG 3.39Å; D354-R357 IonicContact OD2-CZ 3.71Å; D354-R357 IonicContact OD2-NE 2.73Å; D354-R357 IonicContact OD2-NH1 3.29Å; D354-R357 PolarHBondContact OD2-NH1 3.05Å; R357-R359 PolarHBondContact O-N 3.07Å
358	Y	97.6	Very high	96.2	Very high	5 Å²	5	33.7 Å²	33.7	2%	0.02	16%	0.156	C	C	.	.			trans	-57.8	126.8	175	168.7	-90.8	0	0	0	110.4	L12 E347 L350 R351 D354 Y360 S365	L12-Y358 HydrophobicContact CD1-CD2 4.35Å; L12-Y358 WeakPolarHBondContact O-CA 3.5Å; E347-Y358 HydrophobicContact CB-CE2 4.45Å; E347-Y358 WeakPolarHBondContact O-CE2 3.41Å; E347-Y358 VanDerWaalsContact OE2-CE2 3.24Å; E347-Y358 WeakPolarHBondContact OE2-CE2 3.46Å; E347-Y358 PolarHBondContact OE2-OH 3.28Å; L350-Y358 HydrophobicContact CB-CD2 4Å; L350-Y358 HydrophobicContact CB-CE2 4.16Å; R351-Y358 VanDerWaalsContact CA-CG 3.48Å; R351-Y358 HydrophobicContact CB-CD1 3.62Å; R351-Y358 HydrophobicContact CB-CD2 3.82Å; R351-Y358 HydrophobicContact CB-CE1 3.77Å; R351-Y358 HydrophobicContact CB-CE2 3.94Å; R351-Y358 HydrophobicContact CB-CG 3.65Å; R351-Y358 HydrophobicContact CG-CD1 3.51Å; R351-Y358 HydrophobicContact CG-CE1 3.84Å; R351-Y358 HydrophobicContact CG-CG 3.91Å; D354-Y358 WeakPolarHBondContact O-CB 3.3Å; D354-Y358 PolarHBondContact O-N 2.86Å; Y358-Y360 HydrophobicContact CD1-CD2 4.43Å; Y358-Y360 AromaticContact CE1-CD1 3.81Å; Y358-Y360 HydrophobicContact CE1-CD1 3.81Å; Y358-Y360 AromaticContact CE1-CD2 3.78Å; Y358-Y360 HydrophobicContact CE1-CD2 3.78Å; Y358-Y360 HydrophobicContact CE1-CE1 4.02Å; Y358-Y360 AromaticContact CE1-CE2 3.99Å; Y358-Y360 HydrophobicContact CE1-CE2 3.99Å; Y358-Y360 AromaticContact CE1-CG 3.69Å; Y358-Y360 HydrophobicContact CE1-CG 3.69Å; Y358-S365 VanDerWaalsContact O-CA 3.25Å; Y358-S365 WeakPolarHBondContact O-CA 3.1Å; Y358-S365 WeakPolarHBondContact O-CB 3.45Å
359	R	98.5	Very high	96.4	Very high	59 Å²	59	33.4 Å²	33.4	22%	0.223	15%	0.154	C	C	.	.			trans	-108.2	126.7	172.7	-173.6	178.9	-71.3	145.2	-11.2	109.5	L12 K13 K14 R357 G363 D368	L12-R359 PolarHBondContact O-N 3.32Å; K13-R359 PolarHBondContact O-NH1 3.25Å; K14-R359 HydrophobicContact CB-CB 4.48Å; K14-R359 HydrophobicContact CG-CB 4.18Å; K14-R359 WeakPolarHBondContact CG-O 3.21Å; K14-R359 PolarHBondContact NZ-O 3.34Å; R357-R359 PolarHBondContact O-N 3.07Å; R359-G363 VanDerWaalsContact CG-O 3.31Å; R359-G363 WeakPolarHBondContact CG-O 3.16Å; R359-D368 IonicContact CZ-OD1 3.4Å; R359-D368 IonicContact CZ-OD2 3.2Å; R359-D368 IonicContact NE-OD1 3.76Å; R359-D368 IonicContact NE-OD2 2.88Å; R359-D368 PolarHBondContact NE-OD2 3.35Å; R359-D368 IonicContact NH2-OD1 3.58Å; R359-D368 PolarHBondContact NH2-OD1 3.11Å; R359-D368 IonicContact NH2-OD2 2.68Å; R359-D368 PolarHBondContact NH2-OD2 3.48Å
360	Y	98.1	Very high	96.7	Very high	8 Å²	8	33.2 Å²	33.2	3%	0.031	15%	0.153	C	C	.	.			trans	-58.6	143.8	171.2	-79.7	-84	0	0	0	110.7	I268 A329 C332 R351 Y358 K362 G363 E364	I268-Y360 HydrophobicContact CD1-CE1 4.42Å; A329-Y360 HydrophobicContact CB-CD1 4.21Å; A329-Y360 HydrophobicContact CB-CD2 4.32Å; A329-Y360 HydrophobicContact CB-CE1 4.2Å; A329-Y360 HydrophobicContact CB-CE2 4.32Å; A329-Y360 HydrophobicContact CB-CG 4.26Å; A329-Y360 WeakPolarHBondContact O-CB 3.17Å; A329-Y360 WeakPolarHBondContact O-CD1 3.34Å; C332-Y360 HydrophobicContact CB-CD1 3.84Å; C332-Y360 HydrophobicContact CB-CE1 3.82Å; R351-Y360 WeakPolarHBondContact CD-OH 3.46Å; R351-Y360 PolarHBondContact NE-OH 3.02Å; R351-Y360 PolarHBondContact NH2-OH 3.09Å; Y358-Y360 HydrophobicContact CD1-CD2 4.43Å; Y358-Y360 AromaticContact CE1-CD1 3.81Å; Y358-Y360 HydrophobicContact CE1-CD1 3.81Å; Y358-Y360 AromaticContact CE1-CD2 3.78Å; Y358-Y360 HydrophobicContact CE1-CD2 3.78Å; Y358-Y360 HydrophobicContact CE1-CE1 4.02Å; Y358-Y360 AromaticContact CE1-CE2 3.99Å; Y358-Y360 HydrophobicContact CE1-CE2 3.99Å; Y358-Y360 AromaticContact CE1-CG 3.69Å; Y358-Y360 HydrophobicContact CE1-CG 3.69Å; Y360-K362 PolarHBondContact O-N 3.01Å; Y360-K362 VanDerWaalsContact O-N 3.14Å; Y360-G363 PolarHBondContact O-N 2.82Å; Y360-E364 PolarHBondContact N-O 3.06Å
361	P	97.1	Very high	96.8	Very high	27 Å²	27	36.8 Å²	36.8	18%	0.175	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	122	174	-18.5	28.9	0	0	0	110.4	G330 V331 E347 G363	G330-P361 WeakPolarHBondContact CA-O 3.47Å; V331-P361 HydrophobicContact CG1-CB 4.44Å; V331-P361 HydrophobicContact CG2-CB 3.77Å; V331-P361 HydrophobicContact CG2-CG 3.94Å; V331-P361 PolarHBondContact N-O 2.8Å; E347-P361 HydrophobicContact CG-CG 4.14Å; P361-G363 PolarHBondContact O-N 3.21Å
362	K	96.4	Very high	96.9	Very high	191 Å²	191	38 Å²	38	83%	0.83	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	17.9	-172.7	-54.4	179.4	178.4	176.3	0	115.1	V331 Y360	V331-K362 HydrophobicContact CG1-CD 4.13Å; V331-K362 HydrophobicContact CG1-CG 4.44Å; Y360-K362 PolarHBondContact O-N 3.01Å; Y360-K362 VanDerWaalsContact O-N 3.14Å
363	G	97.9	Very high	97.1	Very high	15 Å²	15	38 Å²	38	16%	0.155	17%	0.174	C	C	.	.	S	Bend	trans	-124.8	-153.7	178.1	0	0	0	0	0	112.5	D328 R359 Y360 P361	D328-G363 CarbonylContact O-C 3.52Å; D328-G363 WeakPolarHBondContact O-CA 3.38Å; R359-G363 VanDerWaalsContact CG-O 3.31Å; R359-G363 WeakPolarHBondContact CG-O 3.16Å; Y360-G363 PolarHBondContact O-N 2.82Å; P361-G363 PolarHBondContact O-N 3.21Å
364	E	98.4	Very high	97.3	Very high	40 Å²	40	35.3 Å²	35.3	19%	0.187	16%	0.162	C	C	.	.			trans	-111	163.2	-174.5	-71.8	-179.2	134.5	0	0	112.5	I327 D328 Y360 D368 R372	I327-E364 WeakPolarHBondContact CA-OE2 3.11Å; I327-E364 HydrophobicContact CD1-CB 4.45Å; I327-E364 HydrophobicContact CG1-CB 3.72Å; D328-E364 HydrophobicContact CB-CB 4.35Å; D328-E364 HydrophobicContact CB-CG 3.95Å; D328-E364 PolarHBondContact N-OE2 3.34Å; D328-E364 PolarHBondContact O-N 3.3Å; Y360-E364 PolarHBondContact N-O 3.06Å; E364-D368 HydrophobicContact CB-CB 4.21Å; E364-D368 HydrophobicContact CG-CB 4.31Å; E364-R372 WeakPolarHBondContact OE1-CD 3.36Å; E364-R372 IonicContact OE1-CZ 3.57Å; E364-R372 IonicContact OE1-NE 2.76Å; E364-R372 PolarHBondContact OE1-NE 2.9Å; E364-R372 IonicContact OE1-NH2 3.93Å; E364-R372 IonicContact OE2-CZ 3.74Å; E364-R372 IonicContact OE2-NE 3.77Å; E364-R372 PolarHBondContact OE2-NE 3.46Å; E364-R372 IonicContact OE2-NH2 3.88Å; E364-R372 PolarHBondContact OE2-NH2 2.91Å
365	S	98.3	Very high	97.5	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	17%	0.173	C	C	.	.			trans	-109.9	170.8	163.6	62.4	0	0	0	0	110.6	Y358 E367 D368 L369	Y358-S365 VanDerWaalsContact O-CA 3.25Å; Y358-S365 WeakPolarHBondContact O-CA 3.1Å; Y358-S365 WeakPolarHBondContact O-CB 3.45Å; S365-E367 PolarHBondContact O-N 3.48Å; S365-E367 PolarHBondContact OG-N 3.25Å; S365-D368 WeakPolarHBondContact CB-OD2 3.47Å; S365-D368 PolarHBondContact N-OD2 3.35Å; S365-D368 PolarHBondContact O-N 3.17Å; S365-D368 PolarHBondContact OG-N 3.33Å; S365-D368 PolarHBondContact OG-OD2 3.48Å; S365-L369 PolarHBondContact O-N 3.28Å
366	Y	98.5	Very high	97.5	Very high	7 Å²	7	36.6 Å²	36.6	3%	0.027	17%	0.172	C	C	.	.	H	α-helix	trans	-66	-28.9	168.6	-81.4	-92.1	0	0	0	111.7	I327 K355 Y356 L369 V370 A393 R396 L410 P411	I327-Y366 HydrophobicContact CD1-CD2 4.23Å; I327-Y366 HydrophobicContact CD1-CE2 4.44Å; K355-Y366 HydrophobicContact CG-CE2 4.45Å; K355-Y366 WeakPolarHBondContact O-CD2 3.25Å; Y356-Y366 PolarHBondContact O-N 3.05Å; Y366-L369 HydrophobicContact CD1-CD2 4.28Å; Y366-L369 WeakPolarHBondContact O-CB 3.33Å; Y366-L369 PolarHBondContact O-N 3.26Å; Y366-V370 WeakPolarHBondContact O-CG2 3.48Å; Y366-V370 PolarHBondContact O-N 3.22Å; Y366-A393 HydrophobicContact CD1-CB 4.47Å; Y366-A393 HydrophobicContact CE1-CB 3.63Å; Y366-R396 HydrophobicContact CE1-CB 4.31Å; Y366-R396 PolarHBondContact OH-NH1 3.4Å; Y366-R396 VanDerWaalsContact OH-NH1 3.14Å; Y366-L410 HydrophobicContact CD1-CD2 3.25Å; Y366-L410 HydrophobicContact CE1-CD2 3.75Å; Y366-L410 HydrophobicContact CG-CD2 4.04Å; Y366-P411 HydrophobicContact CD1-CG 4.46Å; Y366-P411 HydrophobicContact CD2-CB 3.98Å; Y366-P411 HydrophobicContact CD2-CG 3.96Å; Y366-P411 HydrophobicContact CE1-CB 4.39Å; Y366-P411 HydrophobicContact CE2-CB 3.76Å; Y366-P411 HydrophobicContact CE2-CG 4.25Å; Y366-P411 HydrophobicContact CG-CB 4.41Å; Y366-P411 HydrophobicContact CG-CG 4.06Å
367	E	97.1	Very high	97.5	Very high	55 Å²	55	35.8 Å²	35.8	26%	0.257	17%	0.169	S	C	.	.	H	α-helix	trans	-60.6	-44	171.9	-172.6	167.3	-120.5	0	0	110.9	K13 Y356 S365 V370 Q371	K13-E367 IonicContact NZ-OE1 3.41Å; K13-E367 PolarHBondContact NZ-OE1 2.9Å; K13-E367 IonicContact NZ-OE2 3.44Å; K13-E367 PolarHBondContact NZ-OE2 2.91Å; Y356-E367 HydrophobicContact CD1-CB 4.48Å; Y356-E367 HydrophobicContact CE1-CB 3.9Å; Y356-E367 HydrophobicContact CE1-CG 4.21Å; Y356-E367 PolarHBondContact O-N 2.86Å; S365-E367 PolarHBondContact O-N 3.48Å; S365-E367 PolarHBondContact OG-N 3.25Å; E367-V370 PolarHBondContact O-N 3.4Å; E367-Q371 WeakPolarHBondContact O-CG 3.29Å; E367-Q371 PolarHBondContact O-N 3.33Å
368	D	97.9	Very high	97.5	Very high	37 Å²	37	31.8 Å²	31.8	20%	0.198	15%	0.154	C	C	.	.	H	α-helix	trans	-64.9	-41.7	174.1	-60.3	-49.5	0	0	0	111.9	R359 E364 S365 V370 Q371 R372	R359-D368 IonicContact CZ-OD1 3.4Å; R359-D368 IonicContact CZ-OD2 3.2Å; R359-D368 IonicContact NE-OD1 3.76Å; R359-D368 IonicContact NE-OD2 2.88Å; R359-D368 PolarHBondContact NE-OD2 3.35Å; R359-D368 IonicContact NH2-OD1 3.58Å; R359-D368 PolarHBondContact NH2-OD1 3.11Å; R359-D368 IonicContact NH2-OD2 2.68Å; R359-D368 PolarHBondContact NH2-OD2 3.48Å; E364-D368 HydrophobicContact CB-CB 4.21Å; E364-D368 HydrophobicContact CG-CB 4.31Å; S365-D368 WeakPolarHBondContact CB-OD2 3.47Å; S365-D368 PolarHBondContact N-OD2 3.35Å; S365-D368 PolarHBondContact O-N 3.17Å; S365-D368 PolarHBondContact OG-N 3.33Å; S365-D368 PolarHBondContact OG-OD2 3.48Å; D368-V370 VanDerWaalsContact C-N 3.33Å; D368-V370 PolarHBondContact O-N 2.78Å; D368-Q371 PolarHBondContact O-N 3.38Å; D368-R372 PolarHBondContact O-N 2.93Å
369	L	98.2	Very high	97.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.6	-42.7	179.9	-175.6	55.7	0	0	0	112	I327 S365 Y366 R372 L373 A393 V394 C397	I327-L369 HydrophobicContact CB-CD2 4.34Å; S365-L369 PolarHBondContact O-N 3.28Å; Y366-L369 HydrophobicContact CD1-CD2 4.28Å; Y366-L369 WeakPolarHBondContact O-CB 3.33Å; Y366-L369 PolarHBondContact O-N 3.26Å; L369-R372 HydrophobicContact CD1-CG 4.2Å; L369-R372 VanDerWaalsContact CD1-NE 3.34Å; L369-R372 VanDerWaalsContact CD1-NH2 3.25Å; L369-R372 WeakPolarHBondContact O-CG 3.45Å; L369-R372 PolarHBondContact O-N 2.8Å; L369-L373 HydrophobicContact CD1-CD1 3.79Å; L369-L373 HydrophobicContact CD1-CG 4.05Å; L369-L373 HydrophobicContact CG-CD1 3.77Å; L369-L373 HydrophobicContact CG-CG 4.43Å; L369-L373 VanDerWaalsContact O-CB 3.3Å; L369-L373 WeakPolarHBondContact O-CB 3.38Å; L369-L373 VanDerWaalsContact O-CG 3.23Å; L369-L373 WeakPolarHBondContact O-CG 3.43Å; L369-L373 PolarHBondContact O-N 2.83Å; L369-A393 HydrophobicContact CD2-CB 3.72Å; L369-V394 HydrophobicContact CD1-CG2 4.11Å; L369-C397 HydrophobicContact CD2-CB 4.48Å; L369-C397 WeakPolarHBondContact CD2-SG 3.15Å; L369-C397 HydrophobicContact CG-CB 4.4Å; L369-C397 VanDerWaalsContact CG-SG 3.54Å
370	V	97.7	Very high	97.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.7	-47.7	174.3	162	0	0	0	0	111	W65 Y356 Y366 E367 D368 R372 L373 E374 L410	W65-V370 HydrophobicContact CD2-CG1 4.09Å; W65-V370 HydrophobicContact CE3-CG1 4.06Å; W65-V370 HydrophobicContact CH2-CG1 4.13Å; W65-V370 VanDerWaalsContact CH2-O 3.27Å; W65-V370 WeakPolarHBondContact CH2-O 3.37Å; W65-V370 HydrophobicContact CZ2-CB 4.38Å; W65-V370 HydrophobicContact CZ2-CG1 4.18Å; W65-V370 HydrophobicContact CZ2-CG2 4.16Å; W65-V370 HydrophobicContact CZ3-CG1 4.06Å; W65-V370 WeakPolarHBondContact O-CG1 3.3Å; Y356-V370 HydrophobicContact CE2-CG2 4.26Å; Y366-V370 WeakPolarHBondContact O-CG2 3.48Å; Y366-V370 PolarHBondContact O-N 3.22Å; E367-V370 PolarHBondContact O-N 3.4Å; D368-V370 VanDerWaalsContact C-N 3.33Å; D368-V370 PolarHBondContact O-N 2.78Å; V370-R372 PolarHBondContact O-N 3.46Å; V370-L373 PolarHBondContact O-N 2.96Å; V370-E374 PolarHBondContact O-N 3.11Å; V370-L410 HydrophobicContact CG2-CD1 4.08Å
371	Q	95.2	Very high	97.2	Very high	88 Å²	88	30.5 Å²	30.5	41%	0.411	15%	0.151	S	C	.	.	H	α-helix	trans	-60.8	-44.3	-179.7	-64.6	-64	-40.2	0	0	111.7	I66 E367 D368 L373 E374	I66-Q371 PolarHBondContact O-NE2 3.03Å; I66-Q371 VanDerWaalsContact O-NE2 3.09Å; E367-Q371 WeakPolarHBondContact O-CG 3.29Å; E367-Q371 PolarHBondContact O-N 3.33Å; D368-Q371 PolarHBondContact O-N 3.38Å; Q371-L373 VanDerWaalsContact C-N 3.34Å; Q371-L373 PolarHBondContact O-N 2.9Å; Q371-E374 WeakPolarHBondContact O-CB 3.37Å; Q371-E374 PolarHBondContact O-N 3.29Å
372	R	97.3	Very high	97	Very high	44 Å²	44	35 Å²	35	17%	0.166	16%	0.164	C	C	.	.	H	α-helix	trans	-74.3	-21.4	178.8	69.5	163.9	165.5	108.3	-18.8	114.5	V323 N325 E326 E364 D368 L369 V370 P375	V323-R372 VanDerWaalsContact C-NH1 3.34Å; V323-R372 PolarHBondContact O-NH1 2.68Å; N325-R372 VanDerWaalsContact O-CZ 3.26Å; N325-R372 PolarHBondContact O-NH1 3.26Å; N325-R372 PolarHBondContact O-NH2 3.16Å; E326-R372 PolarHBondContact O-NH2 3.04Å; E364-R372 WeakPolarHBondContact OE1-CD 3.36Å; E364-R372 IonicContact OE1-CZ 3.57Å; E364-R372 IonicContact OE1-NE 2.76Å; E364-R372 PolarHBondContact OE1-NE 2.9Å; E364-R372 IonicContact OE1-NH2 3.93Å; E364-R372 IonicContact OE2-CZ 3.74Å; E364-R372 IonicContact OE2-NE 3.77Å; E364-R372 PolarHBondContact OE2-NE 3.46Å; E364-R372 IonicContact OE2-NH2 3.88Å; E364-R372 PolarHBondContact OE2-NH2 2.91Å; D368-R372 PolarHBondContact O-N 2.93Å; L369-R372 HydrophobicContact CD1-CG 4.2Å; L369-R372 VanDerWaalsContact CD1-NE 3.34Å; L369-R372 VanDerWaalsContact CD1-NH2 3.25Å; L369-R372 WeakPolarHBondContact O-CG 3.45Å; L369-R372 PolarHBondContact O-N 2.8Å; V370-R372 PolarHBondContact O-N 3.46Å; R372-P375 WeakPolarHBondContact O-CD 3.4Å
373	L	98.4	Very high	96.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-85.6	-8	177.6	-74.9	174	0	0	0	113.2	W65 V323 L324 L369 V370 Q371 V376 I377 V394 C397 L398	W65-L373 HydrophobicContact CH2-CB 3.85Å; W65-L373 HydrophobicContact CZ2-CB 4.31Å; V323-L373 WeakPolarHBondContact O-CD2 3.43Å; L324-L373 HydrophobicContact CD2-CD2 3.95Å; L369-L373 HydrophobicContact CD1-CD1 3.79Å; L369-L373 HydrophobicContact CD1-CG 4.05Å; L369-L373 HydrophobicContact CG-CD1 3.77Å; L369-L373 HydrophobicContact CG-CG 4.43Å; L369-L373 VanDerWaalsContact O-CB 3.3Å; L369-L373 WeakPolarHBondContact O-CB 3.38Å; L369-L373 VanDerWaalsContact O-CG 3.23Å; L369-L373 WeakPolarHBondContact O-CG 3.43Å; L369-L373 PolarHBondContact O-N 2.83Å; V370-L373 PolarHBondContact O-N 2.96Å; Q371-L373 VanDerWaalsContact C-N 3.34Å; Q371-L373 PolarHBondContact O-N 2.9Å; L373-V376 HydrophobicContact CD2-CB 4.36Å; L373-V376 HydrophobicContact CD2-CG2 3.98Å; L373-V376 WeakPolarHBondContact O-CA 3.38Å; L373-V376 WeakPolarHBondContact O-CB 3.28Å; L373-V376 PolarHBondContact O-N 3Å; L373-I377 PolarHBondContact O-N 3.14Å; L373-V394 HydrophobicContact CD1-CG1 4.12Å; L373-V394 HydrophobicContact CD2-CG1 3.98Å; L373-C397 HydrophobicContact CD1-CB 3.45Å; L373-C397 VanDerWaalsContact CD1-CB 3.45Å; L373-L398 HydrophobicContact CD1-CD2 4.36Å; L373-L398 HydrophobicContact CD2-CD2 4.4Å
374	E	96.6	Very high	96.6	Very high	22 Å²	22	30.5 Å²	30.5	10%	0.103	14%	0.142	C	C	.	.	H	α-helix	trans	-52.4	-46.9	177.7	-179.4	-178.6	-164.4	0	0	113	Y62 W65 I66 R237 V370 Q371 V376 I377 M378	Y62-E374 HydrophobicContact CE2-CG 4.3Å; Y62-E374 PolarHBondContact OH-OE1 2.94Å; W65-E374 HydrophobicContact CZ3-CB 4.29Å; I66-E374 HydrophobicContact CG2-CG 4.3Å; R237-E374 IonicContact CZ-OE1 3.84Å; R237-E374 IonicContact CZ-OE2 3.76Å; R237-E374 IonicContact NH1-OE1 2.73Å; R237-E374 PolarHBondContact NH1-OE1 2.68Å; R237-E374 IonicContact NH1-OE2 3.06Å; R237-E374 PolarHBondContact NH1-OE2 3.19Å; V370-E374 PolarHBondContact O-N 3.11Å; Q371-E374 WeakPolarHBondContact O-CB 3.37Å; Q371-E374 PolarHBondContact O-N 3.29Å; E374-V376 VanDerWaalsContact C-N 3.25Å; E374-V376 PolarHBondContact O-N 2.91Å; E374-I377 PolarHBondContact O-N 3.33Å; E374-I377 VanDerWaalsContact O-N 3.09Å; E374-M378 WeakPolarHBondContact O-CG 3.35Å; E374-M378 PolarHBondContact O-N 3.42Å
375	P	97	Very high	96.5	Very high	67 Å²	67	30 Å²	30	44%	0.435	14%	0.141	S	C	.	.	H	α-helix	trans	-60.6	-32.7	176	-23.6	35.3	0	0	0	113.7	R372 M378 E379	R372-P375 WeakPolarHBondContact O-CD 3.4Å; P375-M378 PolarHBondContact O-N 3.45Å; P375-E379 PolarHBondContact O-N 3.39Å
376	V	98.1	Very high	96.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67.2	-42.8	175.4	-178.2	0	0	0	0	110.1	W300 W321 V323 L324 L373 E374 M378 E379 L380 L398	W300-V376 HydrophobicContact CE3-CG1 4.35Å; W300-V376 HydrophobicContact CZ3-CG1 4.09Å; W321-V376 HydrophobicContact CE3-CG2 4.02Å; W321-V376 HydrophobicContact CZ3-CG2 4.36Å; V323-V376 HydrophobicContact CB-CG2 4.43Å; V323-V376 HydrophobicContact CG2-CG2 3.48Å; V323-V376 VanDerWaalsContact CG2-CG2 3.48Å; L324-V376 HydrophobicContact CD2-CG1 4.11Å; L324-V376 HydrophobicContact CD2-CG2 4.25Å; L324-V376 HydrophobicContact CG-CG2 4.23Å; L373-V376 HydrophobicContact CD2-CB 4.36Å; L373-V376 HydrophobicContact CD2-CG2 3.98Å; L373-V376 WeakPolarHBondContact O-CA 3.38Å; L373-V376 WeakPolarHBondContact O-CB 3.28Å; L373-V376 PolarHBondContact O-N 3Å; E374-V376 VanDerWaalsContact C-N 3.25Å; E374-V376 PolarHBondContact O-N 2.91Å; V376-M378 VanDerWaalsContact C-N 3.35Å; V376-E379 PolarHBondContact O-N 3.24Å; V376-L380 HydrophobicContact CG1-CD1 4.19Å; V376-L380 HydrophobicContact CG1-CG 4.36Å; V376-L380 WeakPolarHBondContact O-CB 3.26Å; V376-L380 WeakPolarHBondContact O-CG 3.46Å; V376-L380 PolarHBondContact O-N 2.82Å; V376-L398 HydrophobicContact CG1-CD2 4.15Å
377	I	97.2	Very high	96.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.8	-42.2	176.4	-66.3	-57.9	0	0	0	111.1	W65 L373 E374 E379 L380 E381 L398 Y401 F402	W65-I377 HydrophobicContact CE3-CG1 4.38Å; W65-I377 HydrophobicContact CH2-CD1 4.45Å; W65-I377 HydrophobicContact CH2-CG1 3.5Å; W65-I377 VanDerWaalsContact CH2-CG1 3.5Å; W65-I377 HydrophobicContact CZ2-CD1 4.45Å; W65-I377 HydrophobicContact CZ2-CG1 3.94Å; W65-I377 HydrophobicContact CZ3-CB 4.39Å; W65-I377 HydrophobicContact CZ3-CG1 3.75Å; L373-I377 PolarHBondContact O-N 3.14Å; E374-I377 PolarHBondContact O-N 3.33Å; E374-I377 VanDerWaalsContact O-N 3.09Å; I377-E379 VanDerWaalsContact C-N 3.32Å; I377-E379 PolarHBondContact O-N 2.74Å; I377-L380 HydrophobicContact CD1-CD1 4.37Å; I377-L380 PolarHBondContact O-N 3.2Å; I377-E381 WeakPolarHBondContact O-CB 3.32Å; I377-E381 WeakPolarHBondContact O-CG 3.46Å; I377-E381 PolarHBondContact O-N 3.39Å; I377-L398 HydrophobicContact CD1-CD2 3.59Å; I377-L398 HydrophobicContact CG1-CD2 4.35Å; I377-Y401 HydrophobicContact CD1-CD1 3.7Å; I377-Y401 HydrophobicContact CD1-CE1 4.4Å; I377-Y401 HydrophobicContact CD1-CG 3.77Å; I377-Y401 HydrophobicContact CG1-CD1 4.49Å; I377-Y401 HydrophobicContact CG1-CG 4.28Å; I377-Y401 HydrophobicContact CG2-CD1 3.9Å; I377-Y401 HydrophobicContact CG2-CD2 3.84Å; I377-Y401 HydrophobicContact CG2-CE1 3.62Å; I377-Y401 HydrophobicContact CG2-CE2 3.56Å; I377-Y401 HydrophobicContact CG2-CG 4Å; I377-Y401 VanDerWaalsContact CG2-CZ 3.44Å; I377-F402 HydrophobicContact CD1-CE2 4.43Å
378	M	96.4	Very high	96.6	Very high	2 Å²	2	27 Å²	27	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-60.2	-44.5	176.6	-61.9	-61.3	100.9	0	0	111.3	Y62 Y240 Y241 E374 P375 V376 E381 R382	Y62-M378 HydrophobicContact CD2-CE 3.66Å; Y62-M378 HydrophobicContact CE2-CE 3.3Å; Y62-M378 HydrophobicContact CE2-SD 4.41Å; Y240-M378 HydrophobicContact CD1-CG 4.47Å; Y240-M378 HydrophobicContact CD1-SD 4.06Å; Y240-M378 HydrophobicContact CE1-CB 4.34Å; Y240-M378 HydrophobicContact CE1-CG 3.52Å; Y240-M378 HydrophobicContact CE1-SD 3.66Å; Y241-M378 HydrophobicContact CD2-CE 3.56Å; Y241-M378 HydrophobicContact CD2-SD 3.9Å; Y241-M378 HydrophobicContact CE2-CE 4Å; E374-M378 WeakPolarHBondContact O-CG 3.35Å; E374-M378 PolarHBondContact O-N 3.42Å; P375-M378 PolarHBondContact O-N 3.45Å; V376-M378 VanDerWaalsContact C-N 3.35Å; M378-E381 PolarHBondContact O-N 2.88Å; M378-R382 PolarHBondContact O-N 3.07Å
379	E	96.7	Very high	96.6	Very high	44 Å²	44	25.2 Å²	25.2	21%	0.206	12%	0.117	C	C	.	.	H	α-helix	trans	-69.2	-39.4	178.9	-165.2	62	-161.4	0	0	111.6	W300 W321 P375 V376 I377 E381 R382 Q383	W300-E379 HydrophobicContact CH2-CB 3.75Å; W300-E379 HydrophobicContact CH2-CG 3.45Å; W300-E379 VanDerWaalsContact CH2-CG 3.45Å; W300-E379 HydrophobicContact CZ2-CB 4.41Å; W300-E379 HydrophobicContact CZ2-CG 3.62Å; W300-E379 HydrophobicContact CZ3-CB 4.42Å; W300-E379 HydrophobicContact CZ3-CG 4.47Å; W321-E379 HydrophobicContact CH2-CB 4.02Å; W321-E379 HydrophobicContact CH2-CG 3.9Å; W321-E379 HydrophobicContact CZ2-CG 4.26Å; P375-E379 PolarHBondContact O-N 3.39Å; V376-E379 PolarHBondContact O-N 3.24Å; I377-E379 VanDerWaalsContact C-N 3.32Å; I377-E379 PolarHBondContact O-N 2.74Å; E379-E381 VanDerWaalsContact C-N 3.27Å; E379-E381 PolarHBondContact O-N 2.92Å; E379-R382 WeakPolarHBondContact O-CB 3.44Å; E379-R382 PolarHBondContact O-N 3.08Å; E379-R382 VanDerWaalsContact O-N 3.09Å; E379-R382 IonicContact OE1-CZ 2.71Å; E379-R382 VanDerWaalsContact OE1-CZ 3.24Å; E379-R382 IonicContact OE1-NE 3.82Å; E379-R382 PolarHBondContact OE1-NE 3.07Å; E379-R382 IonicContact OE1-NH2 2.77Å; E379-R382 PolarHBondContact OE1-NH2 2.88Å; E379-R382 IonicContact OE2-CZ 2.96Å; E379-R382 IonicContact OE2-NE 2.85Å; E379-R382 PolarHBondContact OE2-NE 3.09Å; E379-R382 VanDerWaalsContact OE2-NE 3.13Å; E379-R382 IonicContact OE2-NH2 3.27Å; E379-Q383 HydrophobicContact CG-CG 4.28Å; E379-Q383 VanDerWaalsContact O-CG 3.29Å; E379-Q383 WeakPolarHBondContact O-CG 3.49Å; E379-Q383 PolarHBondContact O-N 3.03Å; E379-Q383 PolarHBondContact OE1-NE2 3.4Å
380	L	96.1	Very high	96.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.5	-32.7	173.1	-73.9	175.9	0	0	0	113	R250 I252 W300 V376 I377 R382 V386 V388 L398 F402	R250-L380 PolarHBondContact NH2-O 3.35Å; I252-L380 HydrophobicContact CD1-CB 4.5Å; I252-L380 HydrophobicContact CG2-CD2 4.21Å; W300-L380 HydrophobicContact CE3-CD2 4.09Å; W300-L380 HydrophobicContact CH2-CD2 3.84Å; W300-L380 HydrophobicContact CH2-CG 4.17Å; W300-L380 HydrophobicContact CZ3-CD2 3.37Å; W300-L380 HydrophobicContact CZ3-CG 3.62Å; V376-L380 HydrophobicContact CG1-CD1 4.19Å; V376-L380 HydrophobicContact CG1-CG 4.36Å; V376-L380 WeakPolarHBondContact O-CB 3.26Å; V376-L380 WeakPolarHBondContact O-CG 3.46Å; V376-L380 PolarHBondContact O-N 2.82Å; I377-L380 HydrophobicContact CD1-CD1 4.37Å; I377-L380 PolarHBondContact O-N 3.2Å; L380-R382 PolarHBondContact O-N 3.26Å; L380-V386 HydrophobicContact CD2-CB 4.03Å; L380-V386 HydrophobicContact CD2-CG1 3.9Å; L380-V386 HydrophobicContact CD2-CG2 4.29Å; L380-V388 HydrophobicContact CD2-CG2 4.02Å; L380-L398 HydrophobicContact CD1-CD2 4.36Å; L380-F402 HydrophobicContact CB-CZ 4.07Å; L380-F402 HydrophobicContact CD1-CE2 3.8Å; L380-F402 HydrophobicContact CD1-CZ 3.85Å
381	E	94.2	Very high	96.7	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-70.1	-25.2	175.6	-80.2	-69	177.6	0	0	112.6	K58 R61 Y241 N244 I245 H246 R250 I377 M378 E379 Y401	K58-E381 IonicContact NZ-OE1 3.71Å; K58-E381 IonicContact NZ-OE2 2.68Å; K58-E381 PolarHBondContact NZ-OE2 2.82Å; R61-E381 IonicContact NH2-OE1 3.49Å; Y241-E381 HydrophobicContact CE2-CG 4.18Å; N244-E381 CarbonylContact O-C 3.59Å; N244-E381 VanDerWaalsContact O-C 3.25Å; N244-E381 VanDerWaalsContact O-O 3.12Å; I245-E381 HydrophobicContact CG2-CB 4.13Å; I245-E381 HydrophobicContact CG2-CG 4.22Å; H246-E381 PolarHBondContact CD2-O 3.09Å; H246-E381 PolarHBondContact NE2-O 3.49Å; R250-E381 PolarHBondContact NH2-O 3.01Å; R250-E381 IonicContact NH2-OE2 3.6Å; R250-E381 PolarHBondContact NH2-OE2 2.79Å; I377-E381 WeakPolarHBondContact O-CB 3.32Å; I377-E381 WeakPolarHBondContact O-CG 3.46Å; I377-E381 PolarHBondContact O-N 3.39Å; M378-E381 PolarHBondContact O-N 2.88Å; E379-E381 VanDerWaalsContact C-N 3.27Å; E379-E381 PolarHBondContact O-N 2.92Å; E381-Y401 VanDerWaalsContact CD-OH 3.31Å; E381-Y401 HydrophobicContact CG-CE1 4.34Å; E381-Y401 WeakPolarHBondContact CG-OH 3.49Å; E381-Y401 WeakPolarHBondContact OE1-CE1 3.31Å; E381-Y401 PolarHBondContact OE1-OH 3.24Å
382	R	93.5	Very high	96.9	Very high	121 Å²	121	21.8 Å²	21.8	46%	0.457	10%	0.102	S	C	.	.	H	α-helix	trans	-88.5	-31.2	179.1	-165.4	-174.9	77.2	85.8	-10.4	113.9	N244 H246 M378 E379 L380	N244-R382 VanDerWaalsContact O-CA 3.27Å; N244-R382 WeakPolarHBondContact O-CA 3.39Å; N244-R382 PolarHBondContact O-N 2.66Å; H246-R382 PolarHBondContact CD2-O 3.2Å; H246-R382 PolarHBondContact NE2-O 3.14Å; M378-R382 PolarHBondContact O-N 3.07Å; E379-R382 WeakPolarHBondContact O-CB 3.44Å; E379-R382 PolarHBondContact O-N 3.08Å; E379-R382 VanDerWaalsContact O-N 3.09Å; E379-R382 IonicContact OE1-CZ 2.71Å; E379-R382 VanDerWaalsContact OE1-CZ 3.24Å; E379-R382 IonicContact OE1-NE 3.82Å; E379-R382 PolarHBondContact OE1-NE 3.07Å; E379-R382 IonicContact OE1-NH2 2.77Å; E379-R382 PolarHBondContact OE1-NH2 2.88Å; E379-R382 IonicContact OE2-CZ 2.96Å; E379-R382 IonicContact OE2-NE 2.85Å; E379-R382 PolarHBondContact OE2-NE 3.09Å; E379-R382 VanDerWaalsContact OE2-NE 3.13Å; E379-R382 IonicContact OE2-NH2 3.27Å; L380-R382 PolarHBondContact O-N 3.26Å
383	Q	93.8	Very high	97	Very high	17 Å²	17	19.8 Å²	19.8	8%	0.079	9%	0.094	C	C	.	.			trans	-83.5	155.2	-177.2	-67.6	-51.9	-35.6	0	0	112.9	H246 R250 K298 W300 E379 V386	H246-Q383 PolarHBondContact NE2-O 3.22Å; H246-Q383 VanDerWaalsContact NE2-O 3.09Å; R250-Q383 WeakPolarHBondContact CD-O 3.24Å; R250-Q383 PolarHBondContact NE-O 3.26Å; K298-Q383 HydrophobicContact CD-CG 4.34Å; W300-Q383 HydrophobicContact CH2-CG 4.01Å; W300-Q383 HydrophobicContact CZ2-CG 3.76Å; E379-Q383 HydrophobicContact CG-CG 4.28Å; E379-Q383 VanDerWaalsContact O-CG 3.29Å; E379-Q383 WeakPolarHBondContact O-CG 3.49Å; E379-Q383 PolarHBondContact O-N 3.03Å; E379-Q383 PolarHBondContact OE1-NE2 3.4Å; Q383-V386 HydrophobicContact CB-CG2 3.32Å; Q383-V386 HydrophobicContact CG-CG2 3.88Å
384	E	92.7	Very high	97	Very high	94 Å²	94	19.8 Å²	19.8	44%	0.439	9%	0.094	S	C	.	.	S	Bend	trans	-83.7	-97.4	168.5	-61.7	-170.4	169	0	0	111.6	T248 R250	T248-E384 PolarHBondContact OG1-OE1 3.21Å; R250-E384 HydrophobicContact CB-CB 4.23Å; R250-E384 WeakPolarHBondContact CB-O 3.41Å; R250-E384 WeakPolarHBondContact CD-O 3.4Å
385	N	96.1	Very high	97.1	Very high	29 Å²	29	18.8 Å²	18.8	16%	0.155	9%	0.09	C	C	.	.	S	Bend	trans	-90.1	115.5	-174.4	-59.1	-47.5	0	0	0	111.1	S251 I294 K295 L297 K298	S251-N385 PolarHBondContact N-OD1 2.74Å; S251-N385 WeakPolarHBondContact O-CA 3.46Å; I294-N385 HydrophobicContact CG2-CB 3.51Å; K295-N385 PolarHBondContact O-ND2 2.95Å; L297-N385 HydrophobicContact CD1-CB 4.32Å; K298-N385 PolarHBondContact N-O 3.46Å
386	V	98	Very high	97.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134	-178.3	-172.6	0	0	0	0	110.9	S251 I252 Y253 K298 W300 L380 Q383 V388	S251-V386 PolarHBondContact O-N 3.36Å; I252-V386 CarbonylContact C-O 3.21Å; I252-V386 WeakPolarHBondContact CA-O 3.31Å; Y253-V386 PolarHBondContact N-O 3.42Å; K298-V386 HydrophobicContact CB-CG2 4.45Å; K298-V386 CarbonylContact O-C 3.59Å; K298-V386 WeakPolarHBondContact O-CA 3.39Å; W300-V386 HydrophobicContact CD2-CG1 3.71Å; W300-V386 HydrophobicContact CE3-CG1 3.85Å; W300-V386 HydrophobicContact CG-CG1 4.25Å; W300-V386 HydrophobicContact CH2-CG1 4.2Å; W300-V386 HydrophobicContact CH2-CG2 4.48Å; W300-V386 HydrophobicContact CZ2-CG1 4.12Å; W300-V386 HydrophobicContact CZ2-CG2 4.38Å; W300-V386 HydrophobicContact CZ3-CG1 4.12Å; L380-V386 HydrophobicContact CD2-CB 4.03Å; L380-V386 HydrophobicContact CD2-CG1 3.9Å; L380-V386 HydrophobicContact CD2-CG2 4.29Å; Q383-V386 HydrophobicContact CB-CG2 3.32Å; Q383-V386 HydrophobicContact CG-CG2 3.88Å; V386-V388 HydrophobicContact CG1-CG2 3.91Å
387	L	98.7	Very high	97.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.4	164.2	170.4	64.4	0	0	0	109.4	Y253 I289 L297 K298 V299 W300 L314 I389	Y253-L387 CarbonylContact O-C 3.54Å; Y253-L387 WeakPolarHBondContact O-CA 3.31Å; I289-L387 HydrophobicContact CD1-CD2 3.99Å; I289-L387 HydrophobicContact CG1-CD2 4.03Å; L297-L387 HydrophobicContact CD1-CB 4.12Å; K298-L387 PolarHBondContact O-N 2.76Å; V299-L387 CarbonylContact C-O 3.5Å; V299-L387 WeakPolarHBondContact CA-O 3.08Å; V299-L387 HydrophobicContact CG1-CD2 4.28Å; V299-L387 HydrophobicContact CG2-CB 4.4Å; V299-L387 HydrophobicContact CG2-CD2 4.32Å; W300-L387 PolarHBondContact N-O 3Å; L314-L387 HydrophobicContact CD1-CD2 3.77Å; L387-I389 HydrophobicContact CD1-CG1 4.34Å; L387-I389 HydrophobicContact CD2-CD1 4.15Å; L387-I389 HydrophobicContact CD2-CG1 4.19Å; L387-I389 HydrophobicContact CG-CD1 4.5Å; L387-I389 HydrophobicContact CG-CG1 4.01Å
388	V	98.9	Very high	97.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.4	174.6	-175.2	0	0	0	0	109.6	Y253 L254 C255 W300 L324 L380 V386 C390 L398	Y253-V388 PolarHBondContact O-N 3.31Å; L254-V388 HydrophobicContact CD2-CB 3.7Å; L254-V388 HydrophobicContact CD2-CG1 4.47Å; L254-V388 HydrophobicContact CD2-CG2 3.96Å; C255-V388 PolarHBondContact N-O 3.34Å; C255-V388 VanDerWaalsContact O-O 3.12Å; W300-V388 HydrophobicContact CE3-CG2 3.91Å; L324-V388 HydrophobicContact CD1-CG1 4Å; L324-V388 HydrophobicContact CD2-CG1 4.01Å; L380-V388 HydrophobicContact CD2-CG2 4.02Å; V386-V388 HydrophobicContact CG1-CG2 3.91Å; V388-C390 HydrophobicContact CG1-CB 4.11Å; V388-L398 HydrophobicContact CG1-CD1 4.1Å
389	I	98.9	Very high	97.3	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	103.9	174.8	-51.7	175.9	0	0	0	108.2	C255 L285 V299 W300 T301 T307 T310 A311 L314 L387	C255-I389 WeakPolarHBondContact O-CA 3.37Å; L285-I389 HydrophobicContact CD2-CD1 4.04Å; L285-I389 HydrophobicContact CD2-CG1 4.5Å; V299-I389 HydrophobicContact CG1-CD1 4.16Å; W300-I389 PolarHBondContact O-N 2.95Å; T301-I389 WeakPolarHBondContact CA-O 3.49Å; T301-I389 HydrophobicContact CG2-CB 4.39Å; T307-I389 WeakPolarHBondContact CB-O 3.27Å; T307-I389 HydrophobicContact CG2-CG2 4.25Å; T307-I389 VanDerWaalsContact CG2-O 3.31Å; T307-I389 WeakPolarHBondContact CG2-O 3.45Å; T310-I389 HydrophobicContact CG2-CD1 4.19Å; T310-I389 HydrophobicContact CG2-CG2 3.98Å; A311-I389 HydrophobicContact CB-CD1 3.92Å; L314-I389 HydrophobicContact CD1-CD1 4.15Å; L387-I389 HydrophobicContact CD1-CG1 4.34Å; L387-I389 HydrophobicContact CD2-CD1 4.15Å; L387-I389 HydrophobicContact CD2-CG1 4.19Å; L387-I389 HydrophobicContact CG-CD1 4.5Å; L387-I389 HydrophobicContact CG-CG1 4.01Å
390	C	98.8	Very high	97.4	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	-145.5	-171.5	62.7	0	0	0	0	112.2	C255 R256 H257 L324 V388 V394	C255-C390 PolarHBondContact O-N 3.43Å; R256-C390 CarbonylContact C-O 3.52Å; R256-C390 VanDerWaalsContact CA-O 3.31Å; R256-C390 WeakPolarHBondContact CA-O 3.42Å; H257-C390 PolarHBondContact CD2-O 2.68Å; H257-C390 PolarHBondContact N-O 2.7Å; L324-C390 HydrophobicContact CD2-CB 4.39Å; V388-C390 HydrophobicContact CG1-CB 4.11Å; C390-V394 HydrophobicContact CB-CB 4.2Å; C390-V394 HydrophobicContact CB-CG1 3.75Å
391	H	98.8	Very high	97.4	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.062	C	C	.	.			trans	-130.1	177.4	-172	-50.6	-92.3	0	0	0	111.4	H257 S302 M304 R306 L324 E326 V394 M395	H257-H391 AromaticContact CD2-CE1 3.87Å; H257-H391 AromaticContact CD2-ND1 3.22Å; H257-H391 PolarHBondContact CD2-ND1 3.22Å; H257-H391 AromaticContact NE2-ND1 3.53Å; S302-H391 VanDerWaalsContact CB-NE2 3.34Å; S302-H391 WeakPolarHBondContact CB-NE2 3.5Å; S302-H391 PolarHBondContact OG-NE2 2.87Å; M304-H391 PolarHBondContact SD-CE1 3.3Å; M304-H391 PolarHBondContact SD-NE2 2.84Å; M304-H391 VanDerWaalsContact SD-NE2 3.42Å; R306-H391 PolarHBondContact NE-CE1 2.95Å; R306-H391 PolarHBondContact NE-ND1 3.16Å; R306-H391 PolarHBondContact NH2-CE1 3.07Å; R306-H391 PolarHBondContact NH2-ND1 2.77Å; L324-H391 PolarHBondContact O-CD2 2.96Å; E326-H391 HydrophobicContact CB-CB 3.69Å; E326-H391 HydrophobicContact CG-CB 3.86Å; E326-H391 PolarHBondContact N-CD2 3.46Å; E326-H391 VanDerWaalsContact N-CD2 3.26Å; E326-H391 WeakPolarHBondContact OE1-CB 3.25Å; E326-H391 WeakPolarHBondContact OE2-CB 3.24Å; H391-V394 HydrophobicContact CB-CG2 4.43Å; H391-M395 WeakPolarHBondContact O-CB 3.43Å; H391-M395 PolarHBondContact O-N 2.97Å
392	Q	98.6	Very high	97.5	Very high	17 Å²	17	14 Å²	14	8%	0.079	6%	0.062	C	C	.	.	H	α-helix	trans	-66.8	-49.3	-170.1	-173.6	170.6	-96.8	0	0	112.3	E326 R396 T444	E326-Q392 PolarHBondContact OE2-N 3.49Å; Q392-R396 VanDerWaalsContact O-CG 3.24Å; Q392-R396 WeakPolarHBondContact O-CG 3.49Å; Q392-R396 PolarHBondContact O-N 3.22Å; Q392-T444 PolarHBondContact NE2-O 3.27Å; Q392-T444 VanDerWaalsContact NE2-O 3.11Å; Q392-T444 PolarHBondContact OE1-O 3.31Å; Q392-T444 PolarHBondContact OE1-OG1 3.27Å; Q392-T444 VanDerWaalsContact OE1-OG1 3.06Å
393	A	98.6	Very high	97.6	Very high	2 Å²	2	10.3 Å²	10.3	2%	0.017	5%	0.051	C	C	.	.	H	α-helix	trans	-71.2	-40.1	-178.3	0	0	0	0	0	111.1	E326 I327 Y366 L369 R396 C397	E326-A393 WeakPolarHBondContact OE1-CB 3.42Å; E326-A393 PolarHBondContact OE1-N 2.89Å; E326-A393 VanDerWaalsContact OE1-N 3.09Å; E326-A393 PolarHBondContact OE2-N 2.9Å; I327-A393 HydrophobicContact CB-CB 3.83Å; I327-A393 HydrophobicContact CG2-CB 3.58Å; Y366-A393 HydrophobicContact CD1-CB 4.47Å; Y366-A393 HydrophobicContact CE1-CB 3.63Å; L369-A393 HydrophobicContact CD2-CB 3.72Å; A393-R396 WeakPolarHBondContact O-CB 3.39Å; A393-R396 PolarHBondContact O-N 3.31Å; A393-C397 PolarHBondContact O-N 3.13Å; A393-C397 VanDerWaalsContact O-N 3.1Å
394	V	98.8	Very high	97.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.2	-51.5	176	177.4	0	0	0	0	111.2	L324 N325 E326 L369 L373 C390 H391 R396 C397 L398	L324-V394 HydrophobicContact CD2-CG1 3.68Å; N325-V394 WeakPolarHBondContact O-CG2 3.27Å; E326-V394 PolarHBondContact OE1-N 3.3Å; L369-V394 HydrophobicContact CD1-CG2 4.11Å; L373-V394 HydrophobicContact CD1-CG1 4.12Å; L373-V394 HydrophobicContact CD2-CG1 3.98Å; C390-V394 HydrophobicContact CB-CB 4.2Å; C390-V394 HydrophobicContact CB-CG1 3.75Å; H391-V394 HydrophobicContact CB-CG2 4.43Å; V394-R396 VanDerWaalsContact C-N 3.27Å; V394-R396 PolarHBondContact O-N 2.77Å; V394-C397 WeakPolarHBondContact O-CB 3.41Å; V394-C397 PolarHBondContact O-N 3.49Å; V394-C397 VanDerWaalsContact O-N 3.11Å; V394-L398 HydrophobicContact CG1-CD1 4.21Å; V394-L398 WeakPolarHBondContact O-CG 3.12Å; V394-L398 PolarHBondContact O-N 3.02Å
395	M	98.8	Very high	97.9	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-61.2	-36.9	-179.7	-171.4	173.1	172.2	0	0	111.7	L254 R256 H391 L398 L399 C415 L421	L254-M395 HydrophobicContact CB-CE 3.88Å; L254-M395 HydrophobicContact CB-CG 4.33Å; L254-M395 WeakPolarHBondContact O-CE 3.1Å; R256-M395 HydrophobicContact CG-SD 3.84Å; H391-M395 WeakPolarHBondContact O-CB 3.43Å; H391-M395 PolarHBondContact O-N 2.97Å; M395-L398 PolarHBondContact O-N 3.35Å; M395-L399 WeakPolarHBondContact O-CB 3.4Å; M395-L399 PolarHBondContact O-N 3.21Å; M395-C415 HydrophobicContact CB-CB 4.31Å; M395-C415 HydrophobicContact CE-CB 4.3Å; M395-C415 HydrophobicContact CG-CB 4.08Å; M395-C415 HydrophobicContact SD-CB 3.75Å; M395-L421 HydrophobicContact CE-CB 4.07Å; M395-L421 HydrophobicContact CE-CD1 3.46Å; M395-L421 VanDerWaalsContact CE-CD1 3.46Å; M395-L421 HydrophobicContact CE-CG 3.53Å
396	R	98.7	Very high	97.8	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.008	9%	0.086	C	C	.	.	H	α-helix	trans	-61.4	-45.1	173.7	-73.8	174.1	166.8	144.6	1	112.2	Y366 Q392 A393 V394 L399 A400 L410 P411 L413 H445	Y366-R396 HydrophobicContact CE1-CB 4.31Å; Y366-R396 PolarHBondContact OH-NH1 3.4Å; Y366-R396 VanDerWaalsContact OH-NH1 3.14Å; Q392-R396 VanDerWaalsContact O-CG 3.24Å; Q392-R396 WeakPolarHBondContact O-CG 3.49Å; Q392-R396 PolarHBondContact O-N 3.22Å; A393-R396 WeakPolarHBondContact O-CB 3.39Å; A393-R396 PolarHBondContact O-N 3.31Å; V394-R396 VanDerWaalsContact C-N 3.27Å; V394-R396 PolarHBondContact O-N 2.77Å; R396-L399 PolarHBondContact O-N 3Å; R396-A400 WeakPolarHBondContact O-CB 3.28Å; R396-A400 PolarHBondContact O-N 3.21Å; R396-L410 HydrophobicContact CB-CD2 4.38Å; R396-P411 VanDerWaalsContact CZ-O 3.26Å; R396-P411 PolarHBondContact NE-O 2.91Å; R396-P411 PolarHBondContact NH1-O 2.73Å; R396-L413 HydrophobicContact CB-CB 4.48Å; R396-L413 HydrophobicContact CG-CB 4.06Å; R396-L413 PolarHBondContact NE-O 3.41Å; R396-L413 PolarHBondContact NH2-O 3.33Å; R396-H445 PolarHBondContact NH2-ND1 3.15Å; R396-H445 VanDerWaalsContact NH2-ND1 3.17Å
397	C	98.7	Very high	97.7	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-47	177.5	-73	0	0	0	0	112.1	W65 L369 L373 A393 V394 A400 Y401	W65-C397 HydrophobicContact CZ2-CB 4.4Å; W65-C397 PolarHBondContact NE1-O 3.02Å; L369-C397 HydrophobicContact CD2-CB 4.48Å; L369-C397 WeakPolarHBondContact CD2-SG 3.15Å; L369-C397 HydrophobicContact CG-CB 4.4Å; L369-C397 VanDerWaalsContact CG-SG 3.54Å; L373-C397 HydrophobicContact CD1-CB 3.45Å; L373-C397 VanDerWaalsContact CD1-CB 3.45Å; A393-C397 PolarHBondContact O-N 3.13Å; A393-C397 VanDerWaalsContact O-N 3.1Å; V394-C397 WeakPolarHBondContact O-CB 3.41Å; V394-C397 PolarHBondContact O-N 3.49Å; V394-C397 VanDerWaalsContact O-N 3.11Å; C397-A400 PolarHBondContact O-N 3.14Å; C397-Y401 PolarHBondContact O-N 3.15Å
398	L	98.4	Very high	97.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.3	-45.6	177.4	-62.2	178.3	0	0	0	111	L254 L324 L373 V376 I377 L380 V388 V394 M395 A400 Y401 F402	L254-L398 HydrophobicContact CD1-CB 4.08Å; L254-L398 HydrophobicContact CD2-CD1 4.21Å; L324-L398 HydrophobicContact CD2-CD1 4.3Å; L373-L398 HydrophobicContact CD1-CD2 4.36Å; L373-L398 HydrophobicContact CD2-CD2 4.4Å; V376-L398 HydrophobicContact CG1-CD2 4.15Å; I377-L398 HydrophobicContact CD1-CD2 3.59Å; I377-L398 HydrophobicContact CG1-CD2 4.35Å; L380-L398 HydrophobicContact CD1-CD2 4.36Å; V388-L398 HydrophobicContact CG1-CD1 4.1Å; V394-L398 HydrophobicContact CG1-CD1 4.21Å; V394-L398 WeakPolarHBondContact O-CG 3.12Å; V394-L398 PolarHBondContact O-N 3.02Å; M395-L398 PolarHBondContact O-N 3.35Å; L398-A400 VanDerWaalsContact C-N 3.34Å; L398-A400 PolarHBondContact O-N 2.78Å; L398-Y401 WeakPolarHBondContact O-CB 3.39Å; L398-Y401 PolarHBondContact O-N 2.92Å; L398-F402 WeakPolarHBondContact O-CD2 3.17Å; L398-F402 PolarHBondContact O-N 2.71Å
399	L	97.7	Very high	97.3	Very high	8 Å²	8	28 Å²	28	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-64.2	-39.2	179.3	-168.7	65.7	0	0	0	111.7	M395 R396 Y401 F402 L403 L413 L421 L423	M395-L399 WeakPolarHBondContact O-CB 3.4Å; M395-L399 PolarHBondContact O-N 3.21Å; R396-L399 PolarHBondContact O-N 3Å; L399-Y401 VanDerWaalsContact C-N 3.28Å; L399-Y401 PolarHBondContact O-N 3.06Å; L399-F402 PolarHBondContact O-N 3.27Å; L399-L403 HydrophobicContact CD1-CD1 3.64Å; L399-L403 HydrophobicContact CD1-CD2 4.44Å; L399-L403 HydrophobicContact CD1-CG 3.82Å; L399-L403 HydrophobicContact CD2-CD1 4.14Å; L399-L403 HydrophobicContact CG-CD1 3.62Å; L399-L403 HydrophobicContact CG-CG 3.99Å; L399-L403 WeakPolarHBondContact O-CB 3.5Å; L399-L403 VanDerWaalsContact O-CG 3.3Å; L399-L403 WeakPolarHBondContact O-CG 3.39Å; L399-L403 PolarHBondContact O-N 2.85Å; L399-L413 HydrophobicContact CB-CD1 4.27Å; L399-L413 HydrophobicContact CD2-CB 4.4Å; L399-L413 HydrophobicContact CD2-CD1 4.37Å; L399-L413 HydrophobicContact CG-CD1 4.39Å; L399-L421 HydrophobicContact CD1-CD1 3.94Å; L399-L421 HydrophobicContact CD2-CD1 3.79Å; L399-L423 HydrophobicContact CD1-CD1 4.42Å; L399-L423 HydrophobicContact CD1-CD2 3.92Å
400	A	97.8	Very high	97.2	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-61.8	-35.8	176.5	0	0	0	0	0	112.7	R396 C397 L398 D404 K405 L410 L413	R396-A400 WeakPolarHBondContact O-CB 3.28Å; R396-A400 PolarHBondContact O-N 3.21Å; C397-A400 PolarHBondContact O-N 3.14Å; L398-A400 VanDerWaalsContact C-N 3.34Å; L398-A400 PolarHBondContact O-N 2.78Å; A400-D404 WeakPolarHBondContact O-CA 3.31Å; A400-D404 PolarHBondContact O-N 2.9Å; A400-K405 HydrophobicContact CB-CB 3.99Å; A400-K405 PolarHBondContact O-N 3.4Å; A400-L410 HydrophobicContact CB-CB 3.85Å; A400-L410 HydrophobicContact CB-CD1 3.54Å; A400-L410 HydrophobicContact CB-CG 3.49Å; A400-L410 VanDerWaalsContact CB-CG 3.49Å; A400-L413 HydrophobicContact CB-CD1 3.8Å
401	Y	97.3	Very high	97.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.4	-54.4	172.4	172.4	-99.4	0	0	0	111.2	R61 Y62 W65 Y241 I377 E381 C397 L398 L399 L403 D404	R61-Y401 WeakPolarHBondContact CD-O 3.41Å; R61-Y401 WeakPolarHBondContact CG-O 3.31Å; R61-Y401 PolarHBondContact NE-O 3.26Å; Y62-Y401 HydrophobicContact CD2-CE2 4.45Å; W65-Y401 HydrophobicContact CB-CD2 4.04Å; W65-Y401 HydrophobicContact CD2-CD2 4.02Å; W65-Y401 HydrophobicContact CD2-CG 4.48Å; W65-Y401 HydrophobicContact CE3-CD2 4.32Å; W65-Y401 AromaticContact CG-CD2 3.89Å; W65-Y401 HydrophobicContact CG-CD2 3.89Å; W65-Y401 HydrophobicContact CG-CG 4.44Å; Y241-Y401 PolarHBondContact OH-OH 3.23Å; I377-Y401 HydrophobicContact CD1-CD1 3.7Å; I377-Y401 HydrophobicContact CD1-CE1 4.4Å; I377-Y401 HydrophobicContact CD1-CG 3.77Å; I377-Y401 HydrophobicContact CG1-CD1 4.49Å; I377-Y401 HydrophobicContact CG1-CG 4.28Å; I377-Y401 HydrophobicContact CG2-CD1 3.9Å; I377-Y401 HydrophobicContact CG2-CD2 3.84Å; I377-Y401 HydrophobicContact CG2-CE1 3.62Å; I377-Y401 HydrophobicContact CG2-CE2 3.56Å; I377-Y401 HydrophobicContact CG2-CG 4Å; I377-Y401 VanDerWaalsContact CG2-CZ 3.44Å; E381-Y401 VanDerWaalsContact CD-OH 3.31Å; E381-Y401 HydrophobicContact CG-CE1 4.34Å; E381-Y401 WeakPolarHBondContact CG-OH 3.49Å; E381-Y401 WeakPolarHBondContact OE1-CE1 3.31Å; E381-Y401 PolarHBondContact OE1-OH 3.24Å; C397-Y401 PolarHBondContact O-N 3.15Å; L398-Y401 WeakPolarHBondContact O-CB 3.39Å; L398-Y401 PolarHBondContact O-N 2.92Å; L399-Y401 VanDerWaalsContact C-N 3.28Å; L399-Y401 PolarHBondContact O-N 3.06Å; Y401-L403 VanDerWaalsContact C-N 3.33Å; Y401-L403 PolarHBondContact O-N 2.73Å; Y401-D404 PolarHBondContact O-N 3.12Å
402	F	95.7	Very high	97.1	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.009	16%	0.158	C	C	.	.	H	α-helix	trans	-68.5	-31.9	-175	-71.3	-69.7	0	0	0	113.4	R61 I252 I377 L380 L398 L399 L423 C430	R61-F402 PolarHBondContact NH1-O 3.21Å; I252-F402 HydrophobicContact CD1-CE1 3.59Å; I252-F402 HydrophobicContact CD1-CE2 4.31Å; I252-F402 HydrophobicContact CD1-CZ 3.47Å; I252-F402 VanDerWaalsContact CD1-CZ 3.47Å; I377-F402 HydrophobicContact CD1-CE2 4.43Å; L380-F402 HydrophobicContact CB-CZ 4.07Å; L380-F402 HydrophobicContact CD1-CE2 3.8Å; L380-F402 HydrophobicContact CD1-CZ 3.85Å; L398-F402 WeakPolarHBondContact O-CD2 3.17Å; L398-F402 PolarHBondContact O-N 2.71Å; L399-F402 PolarHBondContact O-N 3.27Å; F402-L423 HydrophobicContact CB-CD1 3.93Å; F402-L423 HydrophobicContact CD2-CD1 3.51Å; F402-L423 HydrophobicContact CE2-CD1 4.22Å; F402-L423 HydrophobicContact CG-CD1 3.77Å; F402-C430 HydrophobicContact CB-CB 4.31Å; F402-C430 WeakPolarHBondContact O-CB 3.32Å
403	L	95.8	Very high	97.1	Very high	44 Å²	44	30.2 Å²	30.2	23%	0.23	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	6.7	-177.7	-54	-168.4	0	0	0	114.5	L399 Y401 K405 C430 V432	L399-L403 HydrophobicContact CD1-CD1 3.64Å; L399-L403 HydrophobicContact CD1-CD2 4.44Å; L399-L403 HydrophobicContact CD1-CG 3.82Å; L399-L403 HydrophobicContact CD2-CD1 4.14Å; L399-L403 HydrophobicContact CG-CD1 3.62Å; L399-L403 HydrophobicContact CG-CG 3.99Å; L399-L403 WeakPolarHBondContact O-CB 3.5Å; L399-L403 VanDerWaalsContact O-CG 3.3Å; L399-L403 WeakPolarHBondContact O-CG 3.39Å; L399-L403 PolarHBondContact O-N 2.85Å; Y401-L403 VanDerWaalsContact C-N 3.33Å; Y401-L403 PolarHBondContact O-N 2.73Å; L403-K405 VanDerWaalsContact C-N 3.33Å; L403-K405 HydrophobicContact CB-CD 4.45Å; L403-K405 HydrophobicContact CB-CG 3.86Å; L403-K405 PolarHBondContact O-N 2.73Å; L403-C430 HydrophobicContact CD2-CB 4.15Å; L403-V432 HydrophobicContact CD1-CG2 4.04Å; L403-V432 HydrophobicContact CD2-CG2 3.19Å; L403-V432 HydrophobicContact CG-CG2 4.2Å
404	D	95.6	Very high	97	Very high	105 Å²	105	36.9 Å²	36.9	56%	0.561	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	50.2	178.8	-163.9	31.3	0	0	0	112	R61 A400 Y401	R61-D404 HydrophobicContact CG-CB 4.1Å; A400-D404 WeakPolarHBondContact O-CA 3.31Å; A400-D404 PolarHBondContact O-N 2.9Å; Y401-D404 PolarHBondContact O-N 3.12Å
405	K	96.6	Very high	97	Very high	84 Å²	84	37 Å²	37	37%	0.365	19%	0.189	S	C	.	.			trans	-94.9	134.8	-177.9	-59.7	-64.8	179.8	-168.5	0	110.8	A400 L403 L413	A400-K405 HydrophobicContact CB-CB 3.99Å; A400-K405 PolarHBondContact O-N 3.4Å; L403-K405 VanDerWaalsContact C-N 3.33Å; L403-K405 HydrophobicContact CB-CD 4.45Å; L403-K405 HydrophobicContact CB-CG 3.86Å; L403-K405 PolarHBondContact O-N 2.73Å; K405-L413 HydrophobicContact CB-CD1 4.29Å; K405-L413 HydrophobicContact CD-CD2 4.42Å; K405-L413 HydrophobicContact CG-CD1 4.16Å; K405-L413 HydrophobicContact CG-CD2 3.98Å
406	A	95.5	Very high	96.9	Very high	58 Å²	58	39.7 Å²	39.7	48%	0.479	21%	0.207	S	C	.	.			trans	-63.1	153.1	178.2	0	0	0	0	0	112.1	E408 Q409 L410	A406-E408 PolarHBondContact O-N 2.85Å; A406-E408 VanDerWaalsContact O-N 3.12Å; A406-Q409 PolarHBondContact O-N 2.81Å; A406-L410 PolarHBondContact O-N 3.27Å; A406-L410 VanDerWaalsContact O-N 3.08Å
407	A	94.5	Very high	96.9	Very high	33 Å²	33	40 Å²	40	27%	0.273	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-36.4	179.1	0	0	0	0	0	113.3	Y356 Q409 P411	Y356-A407 WeakPolarHBondContact CB-O 3.46Å; Y356-A407 HydrophobicContact CD1-CB 3.79Å; Y356-A407 HydrophobicContact CD2-CB 4.04Å; Y356-A407 WeakPolarHBondContact CD2-O 3.46Å; Y356-A407 HydrophobicContact CE1-CB 3.73Å; Y356-A407 HydrophobicContact CE2-CB 3.98Å; Y356-A407 HydrophobicContact CG-CB 3.96Å; A407-Q409 VanDerWaalsContact C-N 3.33Å; A407-Q409 PolarHBondContact O-N 2.77Å; A407-P411 WeakPolarHBondContact O-CD 3.32Å
408	E	93.7	Very high	96.9	Very high	125 Å²	125	40 Å²	40	58%	0.584	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-27.8	179	-61.2	179.7	-173.6	0	0	113.7	A406 Y412	A406-E408 PolarHBondContact O-N 2.85Å; A406-E408 VanDerWaalsContact O-N 3.12Å; E408-Y412 WeakPolarHBondContact O-CD2 3.37Å
409	Q	96.1	Very high	96.9	Very high	106 Å²	106	40.5 Å²	40.5	50%	0.495	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-30.1	-179.8	-64.9	179.8	-20.2	0	0	111.9	A406 A407 Y412 L413	A406-Q409 PolarHBondContact O-N 2.81Å; A407-Q409 VanDerWaalsContact C-N 3.33Å; A407-Q409 PolarHBondContact O-N 2.77Å; Q409-Y412 PolarHBondContact O-N 3.4Å; Q409-L413 PolarHBondContact O-N 3.23Å
410	L	97.6	Very high	97	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.016	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-51.1	-49.8	-173.6	177.7	170.7	0	0	0	113.2	Y356 Y366 V370 R396 A400 A406 Y412 L413	Y356-L410 HydrophobicContact CE2-CD1 4.13Å; Y366-L410 HydrophobicContact CD1-CD2 3.25Å; Y366-L410 HydrophobicContact CE1-CD2 3.75Å; Y366-L410 HydrophobicContact CG-CD2 4.04Å; V370-L410 HydrophobicContact CG2-CD1 4.08Å; R396-L410 HydrophobicContact CB-CD2 4.38Å; A400-L410 HydrophobicContact CB-CB 3.85Å; A400-L410 HydrophobicContact CB-CD1 3.54Å; A400-L410 HydrophobicContact CB-CG 3.49Å; A400-L410 VanDerWaalsContact CB-CG 3.49Å; A406-L410 PolarHBondContact O-N 3.27Å; A406-L410 VanDerWaalsContact O-N 3.08Å; L410-Y412 PolarHBondContact O-N 3Å; L410-L413 PolarHBondContact O-N 3.45Å
411	P	98.2	Very high	97	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-65.4	-6.2	-179	-24.2	35.3	0	0	0	115.6	K355 Y356 Y366 R396 A407	K355-P411 HydrophobicContact CB-CB 4.04Å; K355-P411 HydrophobicContact CB-CG 4.33Å; K355-P411 HydrophobicContact CD-CB 3.68Å; K355-P411 HydrophobicContact CG-CB 3.76Å; K355-P411 HydrophobicContact CG-CG 4.45Å; K355-P411 PolarHBondContact NZ-O 3.13Å; Y356-P411 HydrophobicContact CD2-CG 4.32Å; Y366-P411 HydrophobicContact CD1-CG 4.46Å; Y366-P411 HydrophobicContact CD2-CB 3.98Å; Y366-P411 HydrophobicContact CD2-CG 3.96Å; Y366-P411 HydrophobicContact CE1-CB 4.39Å; Y366-P411 HydrophobicContact CE2-CB 3.76Å; Y366-P411 HydrophobicContact CE2-CG 4.25Å; Y366-P411 HydrophobicContact CG-CB 4.41Å; Y366-P411 HydrophobicContact CG-CG 4.06Å; R396-P411 VanDerWaalsContact CZ-O 3.26Å; R396-P411 PolarHBondContact NE-O 2.91Å; R396-P411 PolarHBondContact NH1-O 2.73Å; A407-P411 WeakPolarHBondContact O-CD 3.32Å
412	Y	97.7	Very high	97.1	Very high	36 Å²	36	42.4 Å²	42.4	14%	0.141	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-120.8	8	-176.2	-54.6	-79.2	0	0	0	112.7	K355 E408 Q409 L410 H445 R448	K355-Y412 HydrophobicContact CB-CE2 4.26Å; K355-Y412 WeakPolarHBondContact CB-OH 3.41Å; K355-Y412 HydrophobicContact CD-CD1 4.29Å; K355-Y412 HydrophobicContact CD-CE1 3.54Å; K355-Y412 HydrophobicContact CD-CE2 4.21Å; E408-Y412 WeakPolarHBondContact O-CD2 3.37Å; Q409-Y412 PolarHBondContact O-N 3.4Å; L410-Y412 PolarHBondContact O-N 3Å; Y412-H445 PolarHBondContact O-CE1 3.12Å; Y412-H445 VanDerWaalsContact O-CE1 3.32Å; Y412-R448 HydrophobicContact CD1-CB 3.76Å; Y412-R448 VanDerWaalsContact CE1-CA 3.48Å; Y412-R448 HydrophobicContact CE1-CB 3.55Å; Y412-R448 HydrophobicContact CE1-CG 3.91Å; Y412-R448 HydrophobicContact CE2-CB 4.38Å; Y412-R448 HydrophobicContact CE2-CG 4.21Å; Y412-R448 HydrophobicContact CG-CB 4.26Å
413	L	97.9	Very high	97.1	Very high	25 Å²	25	42.3 Å²	42.3	13%	0.131	22%	0.22	C	C	.	.			trans	-61.8	143	170.7	-64.4	174.3	0	0	0	110.4	R396 L399 A400 K405 Q409 L410	R396-L413 HydrophobicContact CB-CB 4.48Å; R396-L413 HydrophobicContact CG-CB 4.06Å; R396-L413 PolarHBondContact NE-O 3.41Å; R396-L413 PolarHBondContact NH2-O 3.33Å; L399-L413 HydrophobicContact CB-CD1 4.27Å; L399-L413 HydrophobicContact CD2-CB 4.4Å; L399-L413 HydrophobicContact CD2-CD1 4.37Å; L399-L413 HydrophobicContact CG-CD1 4.39Å; A400-L413 HydrophobicContact CB-CD1 3.8Å; K405-L413 HydrophobicContact CB-CD1 4.29Å; K405-L413 HydrophobicContact CD-CD2 4.42Å; K405-L413 HydrophobicContact CG-CD1 4.16Å; K405-L413 HydrophobicContact CG-CD2 3.98Å; Q409-L413 PolarHBondContact O-N 3.23Å; L410-L413 PolarHBondContact O-N 3.45Å
414	K	96.9	Very high	97	Very high	142 Å²	142	42 Å²	42	62%	0.617	22%	0.219	S	C	*	.			trans	-85.5	115.1	-179.2	-69.8	-174.6	177.8	-172.3	0	109.6
415	C	97.8	Very high	96.6	Very high	2 Å²	2	38 Å²	38	1%	0.014	20%	0.199	C	C	.	.			trans	-131	72.8	177.6	-58.5	0	0	0	0	108.3	R256 M395	R256-C415 WeakPolarHBondContact CD-O 3.41Å; R256-C415 PolarHBondContact NH1-O 2.91Å; M395-C415 HydrophobicContact CB-CB 4.31Å; M395-C415 HydrophobicContact CE-CB 4.3Å; M395-C415 HydrophobicContact CG-CB 4.08Å; M395-C415 HydrophobicContact SD-CB 3.75Å
416	P	97.8	Very high	95.8	Very high	57 Å²	57	36.8 Å²	36.8	37%	0.37	20%	0.199	S	C	.	.			trans	-64.5	157.1	-175.5	26.6	-32.8	0	0	0	111.7	T419	P416-T419 HydrophobicContact CG-CG2 4.25Å
417	L	98.4	Very high	94.5	Very high	9 Å²	9	35.3 Å²	35.3	5%	0.047	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	157.3	169	-76.1	169.7	0	0	0	110.3	R256 H257 E259 N263 T419 A441 V442 T444	R256-L417 HydrophobicContact CB-CD2 4.13Å; H257-L417 WeakPolarHBondContact O-CD2 3.46Å; E259-L417 HydrophobicContact CB-CD1 4.23Å; E259-L417 HydrophobicContact CG-CD1 4.37Å; N263-L417 HydrophobicContact CB-CD1 4.43Å; L417-T419 PolarHBondContact O-N 3.32Å; L417-T419 PolarHBondContact O-OG1 3.31Å; L417-T419 VanDerWaalsContact O-OG1 3.13Å; L417-A441 HydrophobicContact CB-CB 3.59Å; L417-A441 HydrophobicContact CD1-CB 3.93Å; L417-A441 HydrophobicContact CG-CB 4.41Å; L417-V442 HydrophobicContact CD1-CG2 4.25Å; L417-T444 HydrophobicContact CD1-CG2 4.47Å
418	H	98.6	Very high	93.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	24	172.1	-57	177.4	0	0	0	115.8	E259 F281 F436 L437 V439 A440	E259-H418 PolarHBondContact N-NE2 3.06Å; F281-H418 HydrophobicContact CB-CB 4.43Å; F281-H418 WeakPolarHBondContact CB-CD2 3.36Å; F281-H418 WeakPolarHBondContact CB-NE2 3.4Å; F281-H418 AromaticContact CD1-CD2 3.79Å; F281-H418 VanDerWaalsContact CD2-CA 3.41Å; F281-H418 HydrophobicContact CD2-CB 3.61Å; F281-H418 AromaticContact CD2-CD2 3.75Å; F281-H418 AromaticContact CD2-CG 3.76Å; F281-H418 HydrophobicContact CE2-CB 4.13Å; F281-H418 HydrophobicContact CG-CB 4.13Å; F281-H418 AromaticContact CG-CD2 3.32Å; F281-H418 WeakPolarHBondContact CG-CD2 3.43Å; F281-H418 AromaticContact CG-CG 3.74Å; F281-H418 AromaticContact CG-NE2 3.91Å; H418-F436 HydrophobicContact CB-CE2 4.14Å; H418-F436 WeakPolarHBondContact O-CD2 3.45Å; H418-L437 PolarHBondContact O-N 3.31Å; H418-V439 WeakPolarHBondContact CB-O 3.42Å; H418-V439 WeakPolarHBondContact ND1-CG1 3.44Å; H418-V439 PolarHBondContact ND1-O 2.88Å; H418-A440 PolarHBondContact CE1-O 3.05Å; H418-A440 VanDerWaalsContact CE1-O 3.22Å; H418-A440 PolarHBondContact ND1-O 3.45Å; H418-A440 VanDerWaalsContact ND1-O 3.16Å
419	T	98.8	Very high	93.2	Very high	9 Å²	9	33.9 Å²	33.9	6%	0.055	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.3	-179.4	-53.9	0	0	0	0	109.2	P416 L417 L421 S434 I435	P416-T419 HydrophobicContact CG-CG2 4.25Å; L417-T419 PolarHBondContact O-N 3.32Å; L417-T419 PolarHBondContact O-OG1 3.31Å; L417-T419 VanDerWaalsContact O-OG1 3.13Å; T419-L421 HydrophobicContact CG2-CD2 4.42Å; T419-S434 VanDerWaalsContact CG2-OG 3.27Å; T419-S434 WeakPolarHBondContact CG2-OG 3.19Å; T419-I435 CarbonylContact C-O 3.56Å; T419-I435 WeakPolarHBondContact CA-O 3.27Å
420	V	98.6	Very high	93	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	128.1	172.7	-178.3	0	0	0	0	108.4	Y253 C255 L285 F288 I435 L437	Y253-V420 HydrophobicContact CD1-CG1 3.92Å; C255-V420 HydrophobicContact CB-CG2 4.21Å; L285-V420 HydrophobicContact CD1-CG2 3.57Å; F288-V420 HydrophobicContact CD1-CG2 4.3Å; F288-V420 HydrophobicContact CE1-CB 4.33Å; F288-V420 HydrophobicContact CE1-CG1 4Å; F288-V420 HydrophobicContact CE1-CG2 4.27Å; V420-I435 PolarHBondContact N-O 3.15Å; V420-I435 WeakPolarHBondContact O-CD1 3.27Å; V420-I435 PolarHBondContact O-N 3.23Å; V420-L437 HydrophobicContact CG2-CD1 3.98Å; V420-L437 HydrophobicContact CG2-CD2 4.35Å; V420-L437 HydrophobicContact CG2-CG 4.22Å
421	L	98.5	Very high	92.8	Very high	11 Å²	11	36.3 Å²	36.3	6%	0.058	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	113	166.7	-60.5	-172	0	0	0	108.6	Y253 L254 M395 L399 T419 V432 E433	Y253-L421 WeakPolarHBondContact CA-O 3.36Å; L254-L421 HydrophobicContact CB-CB 4.48Å; L254-L421 PolarHBondContact N-O 3.34Å; L254-L421 PolarHBondContact O-N 3.21Å; M395-L421 HydrophobicContact CE-CB 4.07Å; M395-L421 HydrophobicContact CE-CD1 3.46Å; M395-L421 VanDerWaalsContact CE-CD1 3.46Å; M395-L421 HydrophobicContact CE-CG 3.53Å; L399-L421 HydrophobicContact CD1-CD1 3.94Å; L399-L421 HydrophobicContact CD2-CD1 3.79Å; T419-L421 HydrophobicContact CG2-CD2 4.42Å; L421-V432 HydrophobicContact CB-CG1 4.46Å; L421-V432 HydrophobicContact CD2-CG1 4.38Å; L421-E433 CarbonylContact C-O 3.57Å; L421-E433 WeakPolarHBondContact CA-O 3.41Å
422	K	98	Very high	92.7	Very high	39 Å²	39	39.3 Å²	39.3	17%	0.17	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	119.1	171.6	178.3	-174.8	175.5	-168.3	0	108.7	Y253 V432 E433 I435	Y253-K422 HydrophobicContact CD1-CB 4.02Å; Y253-K422 HydrophobicContact CD1-CG 4.11Å; Y253-K422 HydrophobicContact CE1-CB 4Å; Y253-K422 HydrophobicContact CE1-CD 3.84Å; Y253-K422 HydrophobicContact CE1-CG 3.69Å; K422-V432 WeakPolarHBondContact O-CA 3.22Å; K422-E433 HydrophobicContact CB-CB 4.27Å; K422-E433 PolarHBondContact N-O 3.24Å; K422-E433 IonicContact NZ-OE1 3.93Å; K422-E433 PolarHBondContact O-N 2.68Å; K422-I435 HydrophobicContact CB-CD1 3.95Å
423	L	97.1	Very high	92.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.4	179.1	-59.5	-174.8	0	0	0	108.9	S251 I252 L254 L399 F402 C430 K431 V432	S251-L423 WeakPolarHBondContact CA-O 3.49Å; I252-L423 HydrophobicContact CB-CB 4.13Å; I252-L423 HydrophobicContact CG2-CD1 4.49Å; I252-L423 PolarHBondContact N-O 2.79Å; I252-L423 WeakPolarHBondContact O-CA 3.45Å; I252-L423 WeakPolarHBondContact O-CB 3.36Å; I252-L423 PolarHBondContact O-N 3.13Å; L254-L423 HydrophobicContact CD1-CD1 3.57Å; L254-L423 HydrophobicContact CD1-CG 4.48Å; L254-L423 HydrophobicContact CG-CD1 3.95Å; L399-L423 HydrophobicContact CD1-CD1 4.42Å; L399-L423 HydrophobicContact CD1-CD2 3.92Å; F402-L423 HydrophobicContact CB-CD1 3.93Å; F402-L423 HydrophobicContact CD2-CD1 3.51Å; F402-L423 HydrophobicContact CE2-CD1 4.22Å; F402-L423 HydrophobicContact CG-CD1 3.77Å; L423-C430 VanDerWaalsContact CB-SG 3.6Å; L423-K431 WeakPolarHBondContact CA-O 3.43Å; L423-V432 HydrophobicContact CD2-CB 4.24Å; L423-V432 HydrophobicContact CD2-CG1 3.95Å; L423-V432 HydrophobicContact CD2-CG2 3.69Å
424	T	93.4	Very high	92.7	Very high	36 Å²	36	45.1 Å²	45.1	22%	0.221	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	100.2	172.3	-54.2	0	0	0	0	108.3	V426 K431	T424-V426 PolarHBondContact O-N 3.24Å; T424-K431 PolarHBondContact N-O 3.04Å; T424-K431 PolarHBondContact O-N 2.91Å
425	P	86	Confident	92.8	Very high	22 Å²	22	40.6 Å²	40.6	14%	0.143	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	131.8	175.1	-24	34.4	0	0	0	110.7	R250 I252	R250-P425 HydrophobicContact CG-CG 4.44Å; R250-P425 WeakPolarHBondContact O-CD 3.36Å; I252-P425 HydrophobicContact CD1-CG 4.44Å
426	V	79.7	Confident	92.8	Very high	58 Å²	58	45.9 Å²	45.9	35%	0.352	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	167.6	175.6	-66.7	0	0	0	0	109.3	T424 Y428 G429 K431	T424-V426 PolarHBondContact O-N 3.24Å; V426-Y428 PolarHBondContact O-N 3.47Å; V426-G429 PolarHBondContact N-O 2.81Å; V426-G429 PolarHBondContact O-N 3.42Å; V426-G429 VanDerWaalsContact O-N 3.12Å; V426-K431 HydrophobicContact CG1-CD 4.16Å; V426-K431 HydrophobicContact CG1-CG 4.07Å
427	A	69.9	Low	92.8	Very high	27 Å²	27	44.2 Å²	44.2	22%	0.223	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-31.9	-171	0	0	0	0	0	115.2	Y54 V172	Y54-A427 VanDerWaalsContact CD2-O 3.28Å; Y54-A427 WeakPolarHBondContact CD2-O 3.33Å; V172-A427 HydrophobicContact CG2-CB 3.54Å
428	Y	76	Confident	92.7	Very high	109 Å²	109	50.4 Å²	50.4	43%	0.427	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	16.9	-176.1	-56.6	-49.8	0	0	0	114.4	T53 K57 V172 V426	T53-Y428 HydrophobicContact CG2-CE1 3.75Å; K57-Y428 HydrophobicContact CD-CD1 3.62Å; K57-Y428 HydrophobicContact CD-CE1 4.26Å; K57-Y428 HydrophobicContact CD-CG 4.38Å; V172-Y428 HydrophobicContact CG1-CE1 4.04Å; V172-Y428 HydrophobicContact CG1-CE2 3.6Å; V172-Y428 WeakPolarHBondContact CG1-OH 3.26Å; V426-Y428 PolarHBondContact O-N 3.47Å
429	G	84.6	Confident	92.7	Very high	20 Å²	20	50.5 Å²	50.5	21%	0.206	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.7	-144.2	-177.4	0	0	0	0	0	112.8	V426	V426-G429 PolarHBondContact N-O 2.81Å; V426-G429 PolarHBondContact O-N 3.42Å; V426-G429 VanDerWaalsContact O-N 3.12Å
430	C	90.7	Very high	92.6	Very high	22 Å²	22	52.9 Å²	52.9	15%	0.149	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	128.7	179.2	-168.8	0	0	0	0	109	F402 L403 L423	F402-C430 HydrophobicContact CB-CB 4.31Å; F402-C430 WeakPolarHBondContact O-CB 3.32Å; L403-C430 HydrophobicContact CD2-CB 4.15Å; L423-C430 VanDerWaalsContact CB-SG 3.6Å
431	K	93.6	Very high	92.6	Very high	137 Å²	137	54.4 Å²	54.4	60%	0.596	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	139	168.8	-66.9	-179.4	177.3	179.6	0	108.4	L423 T424 V426	L423-K431 WeakPolarHBondContact CA-O 3.43Å; T424-K431 PolarHBondContact N-O 3.04Å; T424-K431 PolarHBondContact O-N 2.91Å; V426-K431 HydrophobicContact CG1-CD 4.16Å; V426-K431 HydrophobicContact CG1-CG 4.07Å
432	V	96.4	Very high	92.5	Very high	64 Å²	64	54.3 Å²	54.3	39%	0.388	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123	179	-170.8	0	0	0	0	109	L403 L421 K422 L423	L403-V432 HydrophobicContact CD1-CG2 4.04Å; L403-V432 HydrophobicContact CD2-CG2 3.19Å; L403-V432 HydrophobicContact CG-CG2 4.2Å; L421-V432 HydrophobicContact CB-CG1 4.46Å; L421-V432 HydrophobicContact CD2-CG1 4.38Å; K422-V432 WeakPolarHBondContact O-CA 3.22Å; L423-V432 HydrophobicContact CD2-CB 4.24Å; L423-V432 HydrophobicContact CD2-CG1 3.95Å; L423-V432 HydrophobicContact CD2-CG2 3.69Å
433	E	97.6	Very high	92.4	Very high	97 Å²	97	57 Å²	57	45%	0.453	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.7	169.1	-57.4	174.6	-108.9	0	0	108	L421 K422 I435	L421-E433 CarbonylContact C-O 3.57Å; L421-E433 WeakPolarHBondContact CA-O 3.41Å; K422-E433 HydrophobicContact CB-CB 4.27Å; K422-E433 PolarHBondContact N-O 3.24Å; K422-E433 IonicContact NZ-OE1 3.93Å; K422-E433 PolarHBondContact O-N 2.68Å; E433-I435 HydrophobicContact CB-CD1 4.13Å
434	S	97.9	Very high	92.4	Very high	86 Å²	86	58.2 Å²	58.2	60%	0.601	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.4	179.7	178.9	0	0	0	0	109.5	T419	T419-S434 VanDerWaalsContact CG2-OG 3.27Å; T419-S434 WeakPolarHBondContact CG2-OG 3.19Å
435	I	98.4	Very high	92.5	Very high	47 Å²	47	57.4 Å²	57.4	24%	0.241	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	104.9	-175.6	-50.9	91.8	0	0	0	109.1	F288 T419 V420 K422 E433 L437	F288-I435 HydrophobicContact CD2-CG2 4.35Å; F288-I435 HydrophobicContact CE2-CB 4.42Å; F288-I435 HydrophobicContact CE2-CG1 4.42Å; F288-I435 HydrophobicContact CE2-CG2 3.9Å; F288-I435 HydrophobicContact CZ-CD1 4.41Å; F288-I435 HydrophobicContact CZ-CG1 4.44Å; T419-I435 CarbonylContact C-O 3.56Å; T419-I435 WeakPolarHBondContact CA-O 3.27Å; V420-I435 PolarHBondContact N-O 3.15Å; V420-I435 WeakPolarHBondContact O-CD1 3.27Å; V420-I435 PolarHBondContact O-N 3.23Å; K422-I435 HydrophobicContact CB-CD1 3.95Å; E433-I435 HydrophobicContact CB-CD1 4.13Å; I435-L437 HydrophobicContact CG2-CD2 3.92Å
436	F	98.3	Very high	92.9	Very high	113 Å²	113	56.5 Å²	56.5	50%	0.496	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	124.9	173.2	175.2	-120.4	0	0	0	109.8	H418 N438 V439	H418-F436 HydrophobicContact CB-CE2 4.14Å; H418-F436 WeakPolarHBondContact O-CD2 3.45Å; F436-N438 PolarHBondContact O-N 3.15Å; F436-V439 VanDerWaalsContact CE2-O 3.3Å; F436-V439 WeakPolarHBondContact CE2-O 3.13Å; F436-V439 WeakPolarHBondContact CZ-O 3.28Å
437	L	98.1	Very high	93.6	Very high	21 Å²	21	57.7 Å²	57.7	11%	0.11	32%	0.318	C	S	.	.			trans	-86.9	23.8	-173	-56.4	-167.6	0	0	0	114	F281 L285 F288 H418 V420 I435 V439	F281-L437 HydrophobicContact CD2-CB 4.3Å; F281-L437 HydrophobicContact CD2-CD1 4.06Å; F281-L437 HydrophobicContact CE2-CB 4.4Å; F281-L437 HydrophobicContact CE2-CD1 3.6Å; F281-L437 HydrophobicContact CE2-CG 4.12Å; L285-L437 HydrophobicContact CB-CD1 3.93Å; L285-L437 HydrophobicContact CD1-CD1 3.93Å; F288-L437 HydrophobicContact CB-CD1 4.23Å; F288-L437 HydrophobicContact CB-CD2 4.01Å; F288-L437 HydrophobicContact CD2-CD2 3.98Å; F288-L437 HydrophobicContact CG-CD2 3.9Å; H418-L437 PolarHBondContact O-N 3.31Å; V420-L437 HydrophobicContact CG2-CD1 3.98Å; V420-L437 HydrophobicContact CG2-CD2 4.35Å; V420-L437 HydrophobicContact CG2-CG 4.22Å; I435-L437 HydrophobicContact CG2-CD2 3.92Å; L437-V439 VanDerWaalsContact C-N 3.27Å; L437-V439 PolarHBondContact O-N 3.21Å
438	N	97.4	Very high	94.6	Very high	140 Å²	140	63.1 Å²	63.1	75%	0.749	33%	0.333	S	S	*	.	S	Bend	trans	56.1	33.2	175.1	-159.5	38.7	0	0	0	115.4	F436	F436-N438 PolarHBondContact O-N 3.15Å
439	V	97.9	Very high	95.3	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.012	32%	0.315	C	S	.	.			trans	-119.5	121.3	172.8	-176.5	0	0	0	0	108.6	R277 E280 F281 H418 F436 L437	R277-V439 HydrophobicContact CB-CG1 4.24Å; R277-V439 WeakPolarHBondContact O-CG1 3.46Å; E280-V439 HydrophobicContact CB-CG1 4Å; E280-V439 HydrophobicContact CB-CG2 4.46Å; E280-V439 HydrophobicContact CG-CG1 4.07Å; E280-V439 HydrophobicContact CG-CG2 3.88Å; F281-V439 HydrophobicContact CB-CB 4.33Å; F281-V439 HydrophobicContact CB-CG1 4.31Å; F281-V439 HydrophobicContact CB-CG2 4.49Å; H418-V439 WeakPolarHBondContact CB-O 3.42Å; H418-V439 WeakPolarHBondContact ND1-CG1 3.44Å; H418-V439 PolarHBondContact ND1-O 2.88Å; F436-V439 VanDerWaalsContact CE2-O 3.3Å; F436-V439 WeakPolarHBondContact CE2-O 3.13Å; F436-V439 WeakPolarHBondContact CZ-O 3.28Å; L437-V439 VanDerWaalsContact C-N 3.27Å; L437-V439 PolarHBondContact O-N 3.21Å
440	A	97.4	Very high	95.4	Very high	59 Å²	59	67.2 Å²	67.2	49%	0.488	35%	0.351	S	S	.	.			trans	-62	150.1	179.9	0	0	0	0	0	112.1	R277 H418	R277-A440 VanDerWaalsContact CD-O 3.31Å; R277-A440 WeakPolarHBondContact CD-O 3.48Å; R277-A440 PolarHBondContact NE-O 2.75Å; H418-A440 PolarHBondContact CE1-O 3.05Å; H418-A440 VanDerWaalsContact CE1-O 3.22Å; H418-A440 PolarHBondContact ND1-O 3.45Å; H418-A440 VanDerWaalsContact ND1-O 3.16Å
441	A	97.4	Very high	95.2	Very high	32 Å²	32	68.7 Å²	68.7	26%	0.264	36%	0.357	S	S	.	.			trans	-153.3	159.8	173.9	0	0	0	0	0	110.4	E259 L417	E259-A441 HydrophobicContact CB-CB 4.36Å; E259-A441 VanDerWaalsContact OE1-CA 3.28Å; E259-A441 WeakPolarHBondContact OE1-CA 3.34Å; L417-A441 HydrophobicContact CB-CB 3.59Å; L417-A441 HydrophobicContact CD1-CB 3.93Å; L417-A441 HydrophobicContact CG-CB 4.41Å
442	V	96.9	Very high	94.7	Very high	9 Å²	9	64.2 Å²	64.2	6%	0.055	34%	0.341	C	S	.	.			trans	-62.9	152.3	169.4	-65.7	0	0	0	0	111.3	E259 N263 L264 L417 T444 Q469	E259-V442 WeakPolarHBondContact OE1-CG2 3.34Å; E259-V442 PolarHBondContact OE1-N 2.74Å; N263-V442 HydrophobicContact CB-CG2 3.82Å; N263-V442 WeakPolarHBondContact O-CG2 3.4Å; L264-V442 HydrophobicContact CD2-CG1 4.09Å; L417-V442 HydrophobicContact CD1-CG2 4.25Å; V442-T444 HydrophobicContact CG2-CG2 4.19Å; V442-Q469 HydrophobicContact CG1-CB 4.38Å
443	N	96.2	Very high	93.9	Very high	95 Å²	95	65 Å²	65	51%	0.508	34%	0.343	S	S	.	.			trans	-83.7	128.4	169.9	-176.4	18.3	0	0	0	110	H445 P466	N443-H445 VanDerWaalsContact OD1-CB 3.26Å; N443-H445 WeakPolarHBondContact OD1-CB 3.41Å; N443-H445 PolarHBondContact OD1-N 3.29Å; N443-P466 HydrophobicContact CB-CB 4.27Å; N443-P466 VanDerWaalsContact O-CB 3.25Å; N443-P466 WeakPolarHBondContact O-CB 3.17Å
444	T	96.1	Very high	92.9	Very high	26 Å²	26	64.4 Å²	64.4	16%	0.16	34%	0.342	C	S	.	.			trans	-115.4	6	176.8	46.1	0	0	0	0	112.3	R256 N263 Q392 L417 V442 R446	R256-T444 PolarHBondContact NH1-OG1 2.93Å; R256-T444 PolarHBondContact NH2-OG1 3.12Å; N263-T444 HydrophobicContact CB-CG2 4.45Å; Q392-T444 PolarHBondContact NE2-O 3.27Å; Q392-T444 VanDerWaalsContact NE2-O 3.11Å; Q392-T444 PolarHBondContact OE1-O 3.31Å; Q392-T444 PolarHBondContact OE1-OG1 3.27Å; Q392-T444 VanDerWaalsContact OE1-OG1 3.06Å; L417-T444 HydrophobicContact CD1-CG2 4.47Å; V442-T444 HydrophobicContact CG2-CG2 4.19Å; T444-R446 PolarHBondContact O-N 2.82Å
445	H	96.1	Very high	92.1	Very high	20 Å²	20	65.1 Å²	65.1	9%	0.093	35%	0.347	C	S	.	.			trans	-86.3	110.4	-179.9	-173.1	87.1	0	0	0	111.5	R396 Y412 N443 D447 P466	R396-H445 PolarHBondContact NH2-ND1 3.15Å; R396-H445 VanDerWaalsContact NH2-ND1 3.17Å; Y412-H445 PolarHBondContact O-CE1 3.12Å; Y412-H445 VanDerWaalsContact O-CE1 3.32Å; N443-H445 VanDerWaalsContact OD1-CB 3.26Å; N443-H445 WeakPolarHBondContact OD1-CB 3.41Å; N443-H445 PolarHBondContact OD1-N 3.29Å; H445-D447 IonicContact CD2-OD1 3.44Å; H445-D447 PolarHBondContact CD2-OD1 3.47Å; H445-D447 IonicContact NE2-OD1 2.78Å; H445-D447 PolarHBondContact NE2-OD1 2.87Å; H445-P466 WeakPolarHBondContact O-CG 3.37Å
446	R	94.3	Very high	91.5	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.008	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-93.8	117.2	168.7	173.4	156	-171.3	-77.4	5.5	110.8	F348 D352 T444 A461 T464	F348-R446 VanDerWaalsContact CE1-NH2 3.33Å; D352-R446 IonicContact OD1-CZ 3.13Å; D352-R446 IonicContact OD1-NH1 3.46Å; D352-R446 PolarHBondContact OD1-NH1 3.26Å; D352-R446 IonicContact OD1-NH2 3.05Å; D352-R446 PolarHBondContact OD1-NH2 3.46Å; D352-R446 IonicContact OD2-CZ 3.94Å; D352-R446 IonicContact OD2-NH1 2.83Å; D352-R446 PolarHBondContact OD2-NH1 2.97Å; D352-R446 IonicContact OD2-NH2 2.68Å; D352-R446 PolarHBondContact OD2-NH2 3.06Å; T444-R446 PolarHBondContact O-N 2.82Å; R446-A461 PolarHBondContact NH2-O 3.4Å; R446-T464 WeakPolarHBondContact CA-O 3.31Å; R446-T464 VanDerWaalsContact CG-O 3.24Å; R446-T464 WeakPolarHBondContact CG-O 3.38Å; R446-T464 PolarHBondContact NE-OG1 3.43Å; R446-T464 PolarHBondContact NH2-OG1 3.39Å; R446-T464 VanDerWaalsContact NH2-OG1 3.13Å
447	D	93.4	Very high	90.8	Very high	84 Å²	84	61.3 Å²	61.3	45%	0.449	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-63.6	164.5	176.5	-74.7	-50.9	0	0	0	111.7	H445 P449 T464	H445-D447 IonicContact CD2-OD1 3.44Å; H445-D447 PolarHBondContact CD2-OD1 3.47Å; H445-D447 IonicContact NE2-OD1 2.78Å; H445-D447 PolarHBondContact NE2-OD1 2.87Å; D447-P449 WeakPolarHBondContact O-CD 3.33Å; D447-T464 HydrophobicContact CB-CG2 4.48Å
448	R	91.3	Very high	90	Very high	141 Å²	141	63.2 Å²	63.2	53%	0.532	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-70.5	119.9	174.4	-174.4	173.1	-176.8	174.6	2.1	109.2	Y412	Y412-R448 HydrophobicContact CD1-CB 3.76Å; Y412-R448 VanDerWaalsContact CE1-CA 3.48Å; Y412-R448 HydrophobicContact CE1-CB 3.55Å; Y412-R448 HydrophobicContact CE1-CG 3.91Å; Y412-R448 HydrophobicContact CE2-CB 4.38Å; Y412-R448 HydrophobicContact CE2-CG 4.21Å; Y412-R448 HydrophobicContact CG-CB 4.26Å
449	P	90.5	Very high	89.5	Confident	9 Å²	9	63.1 Å²	63.1	6%	0.058	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-65.2	144.4	175.8	24.7	-31	0	0	0	111	D352 D447 V452 T464	D352-P449 HydrophobicContact CB-CG 3.88Å; D352-P449 WeakPolarHBondContact OD2-CG 3.42Å; D447-P449 WeakPolarHBondContact O-CD 3.33Å; P449-V452 HydrophobicContact CG-CG1 3.99Å; P449-T464 HydrophobicContact CB-CG2 4.09Å
450	Q	87.6	Confident	89	Confident	205 Å²	205	66.9 Å²	66.9	96%	0.958	36%	0.361	S	S	*	.	S	Bend	trans	-73.8	-46.4	178.5	-67	-174.7	-2.2	0	0	111.3
451	N	85.8	Confident	88.3	Confident	54 Å²	54	64.1 Å²	64.1	29%	0.289	34%	0.338	S	S	.	.			trans	-96.1	124.9	173.6	-175.8	-0.4	0	0	0	109.5	D453 R456 E460	N451-D453 WeakPolarHBondContact OD1-CB 3.43Å; N451-D453 PolarHBondContact OD1-N 3.41Å; N451-R456 WeakPolarHBondContact ND2-CB 3.36Å; N451-R456 WeakPolarHBondContact O-CD 3.47Å; N451-R456 PolarHBondContact O-NH1 3.36Å; N451-E460 WeakPolarHBondContact CB-OE1 3.35Å; N451-E460 VanDerWaalsContact ND2-CD 3.29Å; N451-E460 PolarHBondContact ND2-OE1 3.37Å; N451-E460 PolarHBondContact ND2-OE2 3.03Å
452	V	84.3	Confident	87.9	Confident	43 Å²	43	64.6 Å²	64.6	26%	0.261	34%	0.336	S	S	.	.			trans	-119.8	13.5	179.7	-61.1	0	0	0	0	112.3	D352 Q353 P449	D352-V452 HydrophobicContact CB-CB 4.38Å; D352-V452 HydrophobicContact CB-CG1 4.09Å; D352-V452 WeakPolarHBondContact O-CG1 3.38Å; Q353-V452 HydrophobicContact CG-CB 3.89Å; Q353-V452 HydrophobicContact CG-CG2 3.92Å; Q353-V452 WeakPolarHBondContact CG-O 3.44Å; Q353-V452 PolarHBondContact NE2-O 3.04Å; P449-V452 HydrophobicContact CG-CG1 3.99Å
453	D	79.9	Confident	87.7	Confident	80 Å²	80	69.7 Å²	69.7	43%	0.428	37%	0.367	S	S	.	.			trans	-65.2	143	178	-160.6	-70	0	0	0	110.9	N451 S455 R456	N451-D453 WeakPolarHBondContact OD1-CB 3.43Å; N451-D453 PolarHBondContact OD1-N 3.41Å; D453-S455 PolarHBondContact O-N 3.06Å; D453-S455 WeakPolarHBondContact OD1-CB 3.13Å; D453-S455 PolarHBondContact OD1-N 3.27Å; D453-S455 PolarHBondContact OD1-OG 3.13Å; D453-R456 VanDerWaalsContact O-CD 3.32Å; D453-R456 WeakPolarHBondContact O-CD 3.34Å; D453-R456 WeakPolarHBondContact O-CG 3.4Å; D453-R456 PolarHBondContact O-N 3.19Å
454	I	75.6	Confident	87.4	Confident	84 Å²	84	66.4 Å²	66.4	43%	0.431	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-26.9	178.2	-67.2	157.3	0	0	0	111.2	L346 A349 L350 R456	L346-I454 HydrophobicContact CD1-CD1 3.91Å; L346-I454 HydrophobicContact CD1-CG1 4.22Å; L346-I454 HydrophobicContact CD1-CG2 3.85Å; A349-I454 HydrophobicContact CB-CB 4.12Å; A349-I454 HydrophobicContact CB-CG1 3.66Å; A349-I454 HydrophobicContact CB-CG2 4.4Å; L350-I454 HydrophobicContact CD2-CD1 4.43Å; I454-R456 VanDerWaalsContact C-N 3.34Å
455	S	80.6	Confident	87	Confident	101 Å²	101	66 Å²	66	71%	0.706	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-1	180	67.1	0	0	0	0	114.3	D453	D453-S455 PolarHBondContact O-N 3.06Å; D453-S455 WeakPolarHBondContact OD1-CB 3.13Å; D453-S455 PolarHBondContact OD1-N 3.27Å; D453-S455 PolarHBondContact OD1-OG 3.13Å
456	R	85.7	Confident	86.6	Confident	15 Å²	15	66 Å²	66	6%	0.057	35%	0.349	C	S	.	.	S	Bend	trans	-64.5	144.4	178.7	77.8	-167.5	167.2	174.3	0.5	111	D352 N451 D453 I454 A461	D352-R456 IonicContact OD2-CZ 2.75Å; D352-R456 VanDerWaalsContact OD2-CZ 3.28Å; D352-R456 IonicContact OD2-NH1 3.38Å; D352-R456 PolarHBondContact OD2-NH1 3.25Å; D352-R456 IonicContact OD2-NH2 3.69Å; D352-R456 PolarHBondContact OD2-NH2 3.04Å; N451-R456 WeakPolarHBondContact ND2-CB 3.36Å; N451-R456 WeakPolarHBondContact O-CD 3.47Å; N451-R456 PolarHBondContact O-NH1 3.36Å; D453-R456 VanDerWaalsContact O-CD 3.32Å; D453-R456 WeakPolarHBondContact O-CD 3.34Å; D453-R456 WeakPolarHBondContact O-CG 3.4Å; D453-R456 PolarHBondContact O-N 3.19Å; I454-R456 VanDerWaalsContact C-N 3.34Å; R456-A461 HydrophobicContact CG-CB 4.34Å
457	P	84	Confident	86	Confident	66 Å²	66	70 Å²	70	43%	0.429	38%	0.383	S	S	.	.			trans	-58.1	148.1	177.1	-23.5	33.8	0	0	0	112.8	E459 E460 A461	P457-E459 VanDerWaalsContact CB-OE2 3.29Å; P457-E459 WeakPolarHBondContact CB-OE2 3.48Å; P457-E459 PolarHBondContact O-N 2.89Å; P457-E460 WeakPolarHBondContact CD-OE2 3.47Å; P457-E460 WeakPolarHBondContact O-CB 3.21Å; P457-E460 PolarHBondContact O-N 3.06Å; P457-E460 VanDerWaalsContact O-N 3.1Å; P457-A461 PolarHBondContact O-N 3.32Å; P457-A461 VanDerWaalsContact O-N 3.16Å
458	P	81.9	Confident	85.1	Confident	61 Å²	61	69.3 Å²	69.3	40%	0.396	38%	0.377	S	S	.	.	H	α-helix	trans	-54.8	-37.5	177.7	-26.5	35.3	0	0	0	113.6	Q341 E460 A461 L462	Q341-P458 HydrophobicContact CG-CB 4.26Å; P458-E460 VanDerWaalsContact C-N 3.31Å; P458-E460 PolarHBondContact O-N 2.94Å; P458-A461 WeakPolarHBondContact O-CB 3.22Å; P458-A461 PolarHBondContact O-N 2.73Å; P458-L462 WeakPolarHBondContact O-CG 3.46Å; P458-L462 PolarHBondContact O-N 3.02Å; P458-L462 VanDerWaalsContact O-N 3.08Å
459	E	86	Confident	83.5	Confident	138 Å²	138	72 Å²	72	65%	0.645	40%	0.396	S	S	*	.	H	α-helix	trans	-61.4	-42	179.3	-55.6	80.8	-175.2	0	0	110.9	P457 L462 V463	P457-E459 VanDerWaalsContact CB-OE2 3.29Å; P457-E459 WeakPolarHBondContact CB-OE2 3.48Å; P457-E459 PolarHBondContact O-N 2.89Å; E459-L462 PolarHBondContact O-N 3.11Å; E459-V463 WeakPolarHBondContact O-CG2 3.43Å; E459-V463 PolarHBondContact O-N 3.23Å
460	E	87.6	Confident	83.1	Confident	81 Å²	81	75.2 Å²	75.2	38%	0.379	41%	0.413	S	S	.	.	H	α-helix	trans	-66.5	-38.9	177.8	-168.1	-178.9	173.6	0	0	111.7	N451 P457 P458 L462 V463	N451-E460 WeakPolarHBondContact CB-OE1 3.35Å; N451-E460 VanDerWaalsContact ND2-CD 3.29Å; N451-E460 PolarHBondContact ND2-OE1 3.37Å; N451-E460 PolarHBondContact ND2-OE2 3.03Å; P457-E460 WeakPolarHBondContact CD-OE2 3.47Å; P457-E460 WeakPolarHBondContact O-CB 3.21Å; P457-E460 PolarHBondContact O-N 3.06Å; P457-E460 VanDerWaalsContact O-N 3.1Å; P458-E460 VanDerWaalsContact C-N 3.31Å; P458-E460 PolarHBondContact O-N 2.94Å; E460-L462 VanDerWaalsContact C-N 3.26Å; E460-L462 PolarHBondContact O-N 3.25Å; E460-V463 PolarHBondContact O-N 3.18Å
461	A	83.5	Confident	82.9	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-63.1	-33.9	176.8	0	0	0	0	0	112.4	F348 R446 R456 P457 P458	F348-A461 HydrophobicContact CD1-CB 4.25Å; F348-A461 HydrophobicContact CE1-CB 3.84Å; R446-A461 PolarHBondContact NH2-O 3.4Å; R456-A461 HydrophobicContact CG-CB 4.34Å; P457-A461 PolarHBondContact O-N 3.32Å; P457-A461 VanDerWaalsContact O-N 3.16Å; P458-A461 WeakPolarHBondContact O-CB 3.22Å; P458-A461 PolarHBondContact O-N 2.73Å
462	L	89.4	Confident	82.7	Confident	42 Å²	42	69.2 Å²	69.2	22%	0.22	39%	0.389	C	S	.	.	H	α-helix	trans	-89.5	-11.1	-176	-65.1	174.7	0	0	0	114.2	E338 Q341 F348 P458 E459 E460 T464 V465	E338-L462 HydrophobicContact CG-CD1 4.24Å; E338-L462 HydrophobicContact CG-CD2 4.33Å; Q341-L462 HydrophobicContact CB-CD2 4.07Å; Q341-L462 HydrophobicContact CG-CD1 4.49Å; Q341-L462 HydrophobicContact CG-CD2 4.38Å; Q341-L462 HydrophobicContact CG-CG 4.37Å; F348-L462 HydrophobicContact CE2-CD2 4.33Å; F348-L462 HydrophobicContact CZ-CD2 4.03Å; P458-L462 WeakPolarHBondContact O-CG 3.46Å; P458-L462 PolarHBondContact O-N 3.02Å; P458-L462 VanDerWaalsContact O-N 3.08Å; E459-L462 PolarHBondContact O-N 3.11Å; E460-L462 VanDerWaalsContact C-N 3.26Å; E460-L462 PolarHBondContact O-N 3.25Å; L462-T464 PolarHBondContact O-N 2.83Å; L462-V465 HydrophobicContact CB-CG2 4.49Å; L462-V465 HydrophobicContact CD2-CG2 3.76Å; L462-V465 WeakPolarHBondContact O-CB 3.25Å; L462-V465 PolarHBondContact O-N 3.13Å
463	V	91	Very high	82.6	Confident	117 Å²	117	70.7 Å²	70.7	71%	0.709	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-32.1	178.5	170.2	0	0	0	0	113.4	E459 E460	E459-V463 WeakPolarHBondContact O-CG2 3.43Å; E459-V463 PolarHBondContact O-N 3.23Å; E460-V463 PolarHBondContact O-N 3.18Å
464	T	89.8	Confident	82.8	Confident	26 Å²	26	70.1 Å²	70.1	16%	0.16	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-8.4	-178.7	53	0	0	0	0	113.8	R446 D447 P449 L462 P466	R446-T464 WeakPolarHBondContact CA-O 3.31Å; R446-T464 VanDerWaalsContact CG-O 3.24Å; R446-T464 WeakPolarHBondContact CG-O 3.38Å; R446-T464 PolarHBondContact NE-OG1 3.43Å; R446-T464 PolarHBondContact NH2-OG1 3.39Å; R446-T464 VanDerWaalsContact NH2-OG1 3.13Å; D447-T464 HydrophobicContact CB-CG2 4.48Å; P449-T464 HydrophobicContact CB-CG2 4.09Å; L462-T464 PolarHBondContact O-N 2.83Å; T464-P466 WeakPolarHBondContact O-CD 3.29Å
465	V	89.5	Confident	83.3	Confident	17 Å²	17	69.2 Å²	69.2	10%	0.103	39%	0.393	C	S	.	.	S	Bend	trans	-73.9	124.5	175.5	-178.2	0	0	0	0	108.5	Y337 E338 F348 L462	Y337-V465 HydrophobicContact CD2-CG1 3.98Å; Y337-V465 HydrophobicContact CG-CG1 4.25Å; Y337-V465 HydrophobicContact CG-CG2 4.24Å; E338-V465 WeakPolarHBondContact OE1-CG1 3.38Å; F348-V465 HydrophobicContact CZ-CG2 4.31Å; L462-V465 HydrophobicContact CB-CG2 4.49Å; L462-V465 HydrophobicContact CD2-CG2 3.76Å; L462-V465 WeakPolarHBondContact O-CB 3.25Å; L462-V465 PolarHBondContact O-N 3.13Å
466	P	86.5	Confident	83.4	Confident	19 Å²	19	66.9 Å²	66.9	12%	0.123	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-60.7	142.9	175.2	-23.4	34.6	0	0	0	111.5	N443 H445 T464 H468	N443-P466 HydrophobicContact CB-CB 4.27Å; N443-P466 VanDerWaalsContact O-CB 3.25Å; N443-P466 WeakPolarHBondContact O-CB 3.17Å; H445-P466 WeakPolarHBondContact O-CG 3.37Å; T464-P466 WeakPolarHBondContact O-CD 3.29Å; P466-H468 PolarHBondContact O-CE1 2.89Å; P466-H468 PolarHBondContact O-N 2.51Å
467	A	82	Confident	83.3	Confident	86 Å²	86	70.9 Å²	70.9	71%	0.711	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-62.6	134.7	170.1	0	0	0	0	0	110.7
468	H	74.6	Confident	83.2	Confident	71 Å²	71	71.3 Å²	71.3	33%	0.329	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-80.3	130.1	169.5	-43	-51.3	0	0	0	107.6	G266 E338 P466	G266-H468 WeakPolarHBondContact CA-CE1 3.4Å; G266-H468 WeakPolarHBondContact CA-ND1 3.38Å; E338-H468 IonicContact OE1-CD2 3.96Å; E338-H468 IonicContact OE1-CE1 3.91Å; E338-H468 IonicContact OE1-NE2 2.87Å; E338-H468 PolarHBondContact OE1-NE2 3.3Å; E338-H468 IonicContact OE2-NE2 2.92Å; E338-H468 PolarHBondContact OE2-NE2 3.38Å; P466-H468 PolarHBondContact O-CE1 2.89Å; P466-H468 PolarHBondContact O-N 2.51Å
469	Q	56.8	Low	83.3	Confident	198 Å²	198	72.3 Å²	72.3	93%	0.925	39%	0.391	S	S	*	.			trans	-92.5	0	-178.2	-77.8	-172.6	-8.4	0	0	112.5	V442	V442-Q469 HydrophobicContact CG1-CB 4.38Å

Retrieved 469 of 469 residues in 1122.2 ms (Link to these results)

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