A0A087X5U6_POEFO Loading...

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

Synthesis and degradation of fructose 2,6-bisphosphate.

AlphaFold DB , UniProt , Accession A0A087X5U6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 470 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	66.3	Low	244 Å²	244	126.6 Å²	126.6	100%	1.202	66%	0.661	S	S	*	*				0	96.5	0	-68.7	176.6	-173.7	0	0	107.7
2	S	42.3	Very low	68.1	Low	113 Å²	113	123.1 Å²	123.1	79%	0.79	65%	0.651	S	S	*	*			trans	-82	113.2	176.9	174.2	0	0	0	0	108.4	N4	S2-N4 PolarHBondContact O-N 2.87Å
3	Q	46.4	Very low	69.7	Low	177 Å²	177	116.6 Å²	116.6	83%	0.827	62%	0.617	S	S	*	*			trans	-69.4	105.7	168.4	-78.1	176.8	-15.8	0	0	107.8	R5	Q3-R5 VanDerWaalsContact C-N 3.34Å; Q3-R5 PolarHBondContact O-N 2.79Å
4	N	52.6	Low	71	Confident	156 Å²	156	111.1 Å²	111.1	83%	0.834	59%	0.586	S	S	*	*			trans	-58.8	98.8	164.6	-93.2	-14.9	0	0	0	108.1	S2 A6	S2-N4 PolarHBondContact O-N 2.87Å; N4-A6 PolarHBondContact O-N 3.18Å; N4-A6 VanDerWaalsContact O-N 3.15Å
5	R	55.9	Low	72.4	Confident	229 Å²	229	104.9 Å²	104.9	86%	0.864	55%	0.552	S	S	*	*			trans	-63.5	113.8	168.1	-78	-177.8	173.8	179.5	-1.8	107.1	Q3 T7	Q3-R5 VanDerWaalsContact C-N 3.34Å; Q3-R5 PolarHBondContact O-N 2.79Å; R5-T7 PolarHBondContact O-N 2.64Å
6	A	65.1	Low	73.4	Confident	81 Å²	81	101.4 Å²	101.4	67%	0.669	54%	0.536	S	S	*	.			trans	-64.4	105.7	172	0	0	0	0	0	108.4	N4	N4-A6 PolarHBondContact O-N 3.18Å; N4-A6 VanDerWaalsContact O-N 3.15Å
7	T	83.4	Confident	74.1	Confident	95 Å²	95	105.4 Å²	105.4	58%	0.583	54%	0.543	S	S	*	.			trans	-61	138.1	171.9	-47	0	0	0	0	108.7	R5 W20	R5-T7 PolarHBondContact O-N 2.64Å; T7-W20 WeakPolarHBondContact O-CB 3.41Å; T7-W20 PolarHBondContact O-N 2.66Å
8	L	85.1	Confident	74.6	Confident	99 Å²	99	101.7 Å²	101.7	52%	0.518	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	147.3	173.8	-61.1	178.5	0	0	0	109.9	W17 V18	L8-W17 HydrophobicContact CB-CE3 3.84Å; L8-W17 HydrophobicContact CB-CZ3 4.29Å; L8-V18 CarbonylContact C-O 3.55Å; L8-V18 WeakPolarHBondContact CA-O 3.23Å
9	T	86.8	Confident	74.9	Confident	60 Å²	60	99.7 Å²	99.7	37%	0.368	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	159.5	167.9	-172.1	0	0	0	0	109.5	W17 V18	T9-W17 WeakPolarHBondContact O-CA 3.33Å; T9-V18 HydrophobicContact CG2-CG2 3.78Å; T9-V18 PolarHBondContact N-O 2.92Å; T9-V18 PolarHBondContact O-N 2.94Å; T9-V18 VanDerWaalsContact O-O 3.07Å
10	R	85.5	Confident	74.6	Confident	101 Å²	101	103.3 Å²	103.3	38%	0.381	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.8	179.3	-166.9	177	69.5	175.9	0.3	109.5	K15 T16 W17	R10-K15 WeakPolarHBondContact CD-O 3.39Å; R10-K15 HydrophobicContact CG-CB 4.38Å; R10-K15 WeakPolarHBondContact CG-O 3.49Å; R10-T16 CarbonylContact C-O 3.57Å; R10-T16 WeakPolarHBondContact CA-O 3.47Å; R10-W17 HydrophobicContact CB-CD2 4.34Å; R10-W17 HydrophobicContact CB-CE3 4.13Å; R10-W17 HydrophobicContact CB-CZ3 4.22Å
11	T	87.4	Confident	74	Confident	38 Å²	38	103.5 Å²	103.5	23%	0.233	53%	0.526	C	S	.	.			trans	-64.1	134.9	175.3	57.4	0	0	0	0	110	L13 K15 T16 V18	T11-L13 PolarHBondContact O-N 3.38Å; T11-K15 VanDerWaalsContact O-CA 3.24Å; T11-K15 WeakPolarHBondContact O-CA 3.41Å; T11-K15 PolarHBondContact O-N 2.87Å; T11-K15 VanDerWaalsContact O-N 3.08Å; T11-T16 PolarHBondContact N-O 2.89Å; T11-T16 PolarHBondContact OG1-N 2.72Å; T11-T16 PolarHBondContact OG1-O 2.81Å; T11-V18 HydrophobicContact CG2-CG1 4.01Å; T11-V18 HydrophobicContact CG2-CG2 4.03Å
12	P	87.9	Confident	74.4	Confident	84 Å²	84	94.1 Å²	94.1	55%	0.545	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-40.2	-177.7	-26.7	35.3	0	0	0	113.7	K15 L351	P12-K15 WeakPolarHBondContact O-CD 3.37Å; P12-K15 VanDerWaalsContact O-CE 3.23Å; P12-K15 WeakPolarHBondContact O-CE 3.37Å; P12-K15 PolarHBondContact O-NZ 3.49Å; P12-L351 HydrophobicContact CB-CD1 3.83Å; P12-L351 HydrophobicContact CB-CD2 4.26Å
13	L	89.2	Confident	74.8	Confident	39 Å²	39	94 Å²	94	20%	0.204	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-58.9	-174.6	-168.7	74.3	0	0	0	112.7	T11 L351 D355 R358 Y359 R360	T11-L13 PolarHBondContact O-N 3.38Å; L13-L351 WeakPolarHBondContact CD1-O 3.49Å; L13-D355 HydrophobicContact CD1-CB 4.02Å; L13-D355 HydrophobicContact CD2-CB 3.88Å; L13-R358 HydrophobicContact CD2-CB 3.88Å; L13-R358 HydrophobicContact CG-CB 4.42Å; L13-Y359 HydrophobicContact CD1-CD2 4.34Å; L13-R360 PolarHBondContact O-N 2.88Å
14	E	88.1	Confident	74.7	Confident	39 Å²	39	96.4 Å²	96.4	18%	0.182	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-9.6	-172.9	-60.3	177.4	175.2	0	0	113.4	T16 R360	E14-T16 PolarHBondContact O-N 3.01Å; E14-R360 PolarHBondContact O-NH1 3.33Å
15	K	92	Very high	74.2	Confident	19 Å²	19	95 Å²	95	8%	0.083	48%	0.484	C	S	.	.			trans	58.5	32.6	-175.8	-49.9	-56.1	-168	-65.5	0	113.7	R10 T11 P12 E348 R360	R10-K15 WeakPolarHBondContact CD-O 3.39Å; R10-K15 HydrophobicContact CG-CB 4.38Å; R10-K15 WeakPolarHBondContact CG-O 3.49Å; T11-K15 VanDerWaalsContact O-CA 3.24Å; T11-K15 WeakPolarHBondContact O-CA 3.41Å; T11-K15 PolarHBondContact O-N 2.87Å; T11-K15 VanDerWaalsContact O-N 3.08Å; P12-K15 WeakPolarHBondContact O-CD 3.37Å; P12-K15 VanDerWaalsContact O-CE 3.23Å; P12-K15 WeakPolarHBondContact O-CE 3.37Å; P12-K15 PolarHBondContact O-NZ 3.49Å; K15-E348 WeakPolarHBondContact CE-OE1 3.18Å; K15-E348 WeakPolarHBondContact CE-OE2 3.48Å; K15-E348 IonicContact NZ-OE1 3.38Å; K15-E348 PolarHBondContact NZ-OE1 3Å; K15-E348 IonicContact NZ-OE2 3.49Å; K15-E348 PolarHBondContact NZ-OE2 3.23Å; K15-R360 HydrophobicContact CB-CB 4.48Å; K15-R360 HydrophobicContact CG-CB 4.15Å; K15-R360 VanDerWaalsContact CG-O 3.28Å; K15-R360 WeakPolarHBondContact CG-O 3.24Å; K15-R360 PolarHBondContact NZ-O 3.23Å
16	T	86.9	Confident	73.4	Confident	48 Å²	48	89.4 Å²	89.4	29%	0.294	48%	0.481	S	S	.	.			trans	-93.4	133.9	-178.7	-55.6	0	0	0	0	111.2	R10 T11 E14	R10-T16 CarbonylContact C-O 3.57Å; R10-T16 WeakPolarHBondContact CA-O 3.47Å; T11-T16 PolarHBondContact N-O 2.89Å; T11-T16 PolarHBondContact OG1-N 2.72Å; T11-T16 PolarHBondContact OG1-O 2.81Å; E14-T16 PolarHBondContact O-N 3.01Å
17	W	85.9	Confident	72.2	Confident	170 Å²	170	94.4 Å²	94.4	64%	0.644	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	126.7	174.8	-71.8	105	0	0	0	111.5	L8 T9 R10	L8-W17 HydrophobicContact CB-CE3 3.84Å; L8-W17 HydrophobicContact CB-CZ3 4.29Å; T9-W17 WeakPolarHBondContact O-CA 3.33Å; R10-W17 HydrophobicContact CB-CD2 4.34Å; R10-W17 HydrophobicContact CB-CE3 4.13Å; R10-W17 HydrophobicContact CB-CZ3 4.22Å
18	V	83.1	Confident	70.3	Confident	38 Å²	38	101 Å²	101	23%	0.23	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	152.8	179.4	-62.4	0	0	0	0	110.9	L8 T9 T11 W20	L8-V18 CarbonylContact C-O 3.55Å; L8-V18 WeakPolarHBondContact CA-O 3.23Å; T9-V18 HydrophobicContact CG2-CG2 3.78Å; T9-V18 PolarHBondContact N-O 2.92Å; T9-V18 PolarHBondContact O-N 2.94Å; T9-V18 VanDerWaalsContact O-O 3.07Å; T11-V18 HydrophobicContact CG2-CG1 4.01Å; T11-V18 HydrophobicContact CG2-CG2 4.03Å; V18-W20 PolarHBondContact O-N 3.25Å
19	P	81.3	Confident	68.4	Low	65 Å²	65	106.4 Å²	106.4	42%	0.422	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	135.2	170.6	-22.1	33.4	0	0	0	111	M21	P19-M21 PolarHBondContact O-N 2.71Å
20	W	68.6	Low	66.3	Low	171 Å²	171	106.9 Å²	106.9	65%	0.648	53%	0.532	S	S	*	.			trans	-66.2	107.2	174.8	-173	87.5	0	0	0	109	T7 V18	T7-W20 WeakPolarHBondContact O-CB 3.41Å; T7-W20 PolarHBondContact O-N 2.66Å; V18-W20 PolarHBondContact O-N 3.25Å
21	M	60.6	Low	64.4	Low	108 Å²	108	104.7 Å²	104.7	53%	0.532	53%	0.532	S	S	.	.			trans	-105.5	123.1	171.3	-77.7	-167.8	-80.7	0	0	108.7	P19 S23 L25	P19-M21 PolarHBondContact O-N 2.71Å; M21-S23 PolarHBondContact O-N 2.76Å; M21-S23 VanDerWaalsContact O-N 3.1Å; M21-L25 HydrophobicContact CE-CB 4.38Å; M21-L25 HydrophobicContact SD-CB 4.01Å; M21-L25 HydrophobicContact SD-CD1 4.24Å
22	G	48	Very low	62.3	Low	47 Å²	47	105.1 Å²	105.1	49%	0.485	54%	0.537	S	S	.	.			trans	-54.2	116	173.8	0	0	0	0	0	111.5	R24	G22-R24 VanDerWaalsContact C-N 3.28Å; G22-R24 PolarHBondContact O-N 3.38Å
23	S	50.8	Low	60.5	Low	111 Å²	111	102 Å²	102	78%	0.776	52%	0.516	S	S	*	.	S	Bend	trans	26.7	3.4	164.9	78.1	0	0	0	0	124.3	M21	M21-S23 PolarHBondContact O-N 2.76Å; M21-S23 VanDerWaalsContact O-N 3.1Å
24	R	43.7	Very low	58.7	Low	227 Å²	227	103.8 Å²	103.8	86%	0.857	53%	0.53	S	S	*	.	S	Bend	trans	-132.2	0.2	-174	-69.5	-171.4	-175.7	-176	1.5	117.9	G22	G22-R24 VanDerWaalsContact C-N 3.28Å; G22-R24 PolarHBondContact O-N 3.38Å
25	L	42.7	Very low	57.3	Low	125 Å²	125	109.1 Å²	109.1	65%	0.654	56%	0.555	S	S	*	*			trans	-124.2	15.1	179.3	-77.7	160.4	0	0	0	114.2	M21 K27	M21-L25 HydrophobicContact CE-CB 4.38Å; M21-L25 HydrophobicContact SD-CB 4.01Å; M21-L25 HydrophobicContact SD-CD1 4.24Å; L25-K27 PolarHBondContact O-N 3Å
26	S	39.2	Very low	55.7	Low	112 Å²	112	109.5 Å²	109.5	78%	0.783	56%	0.557	S	S	*	*			trans	-69.7	-6.2	177.7	59.9	0	0	0	0	114.4
27	K	40.8	Very low	54.4	Low	187 Å²	187	107.7 Å²	107.7	81%	0.813	55%	0.545	S	S	*	.	S	Bend	trans	-92.1	113.2	174.4	-75.6	-179.6	176.3	179.3	0	109.4	L25	L25-K27 PolarHBondContact O-N 3Å
28	R	42.3	Very low	53.8	Low	232 Å²	232	106 Å²	106	88%	0.875	55%	0.549	S	S	*	.			trans	97.4	77.4	170.2	-55.7	174.9	173.4	-176.8	-2.8	115.5
29	R	44.8	Very low	54	Low	213 Å²	213	106.2 Å²	106.2	80%	0.804	55%	0.553	S	S	*	*			trans	-119.5	133.1	131.2	-80.5	-173.1	177.7	-171.9	-1.7	107.9
30	G	44	Very low	54.7	Low	71 Å²	71	104.9 Å²	104.9	73%	0.732	54%	0.544	S	S	*	.			trans	-64.9	169.7	176.5	0	0	0	0	0	111.5
31	S	44.1	Very low	56	Low	55 Å²	55	96.7 Å²	96.7	39%	0.385	51%	0.513	S	S	.	.			trans	-36.4	151.3	-174.4	61.8	0	0	0	0	115.6	V33	S31-V33 PolarHBondContact O-N 3.05Å; S31-V33 WeakPolarHBondContact OG-CB 3.41Å; S31-V33 WeakPolarHBondContact OG-CG2 3.45Å
32	S	44.5	Very low	57.8	Low	46 Å²	46	91.6 Å²	91.6	32%	0.322	49%	0.487	S	S	.	.	S	Bend	trans	-61.2	-7	173.4	87.1	0	0	0	0	114.9	E368	S32-E368 PolarHBondContact OG-OE2 3.2Å
33	V	49.7	Very low	60.2	Low	18 Å²	18	89.3 Å²	89.3	11%	0.109	46%	0.464	C	S	.	.	S	Bend	trans	-57	130.9	172.4	-172	0	0	0	0	110.3	S31 Q35 F36	S31-V33 PolarHBondContact O-N 3.05Å; S31-V33 WeakPolarHBondContact OG-CB 3.41Å; S31-V33 WeakPolarHBondContact OG-CG2 3.45Å; V33-Q35 PolarHBondContact O-N 2.73Å; V33-F36 HydrophobicContact CG1-CD2 3.74Å; V33-F36 HydrophobicContact CG1-CE2 3.38Å; V33-F36 HydrophobicContact CG1-CZ 4.36Å
34	P	52.2	Low	62.5	Low	77 Å²	77	84 Å²	84	50%	0.5	43%	0.427	S	S	.	.			trans	-51.4	131.3	169.7	-20.4	29.4	0	0	0	108.9	F36	P34-F36 HydrophobicContact CB-CD1 4.15Å; P34-F36 HydrophobicContact CB-CE1 3.76Å; P34-F36 HydrophobicContact CB-CZ 3.97Å; P34-F36 HydrophobicContact CG-CE1 3.98Å; P34-F36 HydrophobicContact CG-CE2 4.49Å; P34-F36 HydrophobicContact CG-CZ 3.79Å; P34-F36 WeakPolarHBondContact O-CD2 3.27Å; P34-F36 VanDerWaalsContact O-CG 3.31Å; P34-F36 WeakPolarHBondContact O-CG 3.2Å; P34-F36 PolarHBondContact O-N 2.81Å
35	Q	58	Low	65.1	Low	151 Å²	151	73.2 Å²	73.2	71%	0.706	39%	0.387	S	S	*	.			trans	-66	89.5	178.1	-171.2	169.8	3.4	0	0	109.2	V33 T37	V33-Q35 PolarHBondContact O-N 2.73Å; Q35-T37 WeakPolarHBondContact CG-O 3.4Å; Q35-T37 PolarHBondContact O-N 2.87Å
36	F	59	Low	67.8	Low	28 Å²	28	67.3 Å²	67.3	12%	0.123	36%	0.355	C	S	.	.			trans	-72.6	-13.3	-175.5	-64	-59.6	0	0	0	112.6	V33 P34 V69 H234	V33-F36 HydrophobicContact CG1-CD2 3.74Å; V33-F36 HydrophobicContact CG1-CE2 3.38Å; V33-F36 HydrophobicContact CG1-CZ 4.36Å; P34-F36 HydrophobicContact CB-CD1 4.15Å; P34-F36 HydrophobicContact CB-CE1 3.76Å; P34-F36 HydrophobicContact CB-CZ 3.97Å; P34-F36 HydrophobicContact CG-CE1 3.98Å; P34-F36 HydrophobicContact CG-CE2 4.49Å; P34-F36 HydrophobicContact CG-CZ 3.79Å; P34-F36 WeakPolarHBondContact O-CD2 3.27Å; P34-F36 VanDerWaalsContact O-CG 3.31Å; P34-F36 WeakPolarHBondContact O-CG 3.2Å; P34-F36 PolarHBondContact O-N 2.81Å; F36-V69 HydrophobicContact CB-CG2 4.49Å; F36-V69 HydrophobicContact CD2-CG2 3.83Å; F36-H234 AromaticContact CD1-CD2 3.29Å; F36-H234 WeakPolarHBondContact CD1-CD2 3.31Å; F36-H234 AromaticContact CD1-NE2 3.6Å; F36-H234 AromaticContact CE1-CD2 3.84Å; F36-H234 AromaticContact CE1-NE2 3.62Å
37	T	59.4	Low	70.5	Confident	9 Å²	9	62 Å²	62	6%	0.055	32%	0.318	C	S	.	.			trans	-128.1	115.4	-175.8	61.4	0	0	0	0	111.1	Q35 Q125 I235	Q35-T37 WeakPolarHBondContact CG-O 3.4Å; Q35-T37 PolarHBondContact O-N 2.87Å; T37-Q125 HydrophobicContact CG2-CB 4.36Å; T37-Q125 PolarHBondContact OG1-NE2 3.26Å; T37-I235 HydrophobicContact CG2-CB 4.08Å; T37-I235 HydrophobicContact CG2-CG1 4.13Å; T37-I235 HydrophobicContact CG2-CG2 4.01Å
38	N	73.4	Confident	73.2	Confident	134 Å²	134	53.6 Å²	53.6	72%	0.717	28%	0.282	S	S	*	.	S	Bend	trans	-83.2	-21.9	173.1	-66	-17	0	0	0	112.8
39	S	87.9	Confident	75.6	Confident	44 Å²	44	43 Å²	43	31%	0.308	24%	0.244	S	C	.	.	S	Bend	trans	-143.6	147.4	172.7	-48.5	0	0	0	0	107.7
40	P	94.4	Very high	77.7	Confident	36 Å²	36	33.2 Å²	33.2	23%	0.234	21%	0.208	C	C	.	.			trans	-55.5	146.2	175.4	-25.9	35.2	0	0	0	112.2	L119 Q125 Y151 K152	P40-L119 HydrophobicContact CB-CB 4.17Å; P40-L119 HydrophobicContact CB-CD1 3.93Å; P40-L119 HydrophobicContact CB-CD2 4.07Å; P40-L119 HydrophobicContact CB-CG 4.27Å; P40-Q125 CarbonylContact C-O 3.6Å; P40-Q125 VanDerWaalsContact CA-O 3.28Å; P40-Q125 WeakPolarHBondContact CA-O 3.34Å; P40-Y151 HydrophobicContact CB-CD1 3.93Å; P40-Y151 HydrophobicContact CB-CE1 4.35Å; P40-Y151 HydrophobicContact CG-CD1 4.28Å; P40-Y151 HydrophobicContact CG-CE1 4.43Å; P40-Y151 WeakPolarHBondContact O-CA 3.45Å; P40-K152 PolarHBondContact O-N 3.43Å
41	T	97.1	Very high	79.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.9	-179.3	-60.3	0	0	0	0	111.1	I43 Q125 V126 A127 K152 F154	T41-I43 HydrophobicContact CG2-CG1 4.26Å; T41-Q125 PolarHBondContact N-O 3.41Å; T41-V126 CarbonylContact O-C 3.25Å; T41-V126 VanDerWaalsContact O-CA 3.28Å; T41-V126 WeakPolarHBondContact O-CA 3.3Å; T41-A127 PolarHBondContact O-N 3.22Å; T41-K152 CarbonylContact C-O 3.55Å; T41-K152 WeakPolarHBondContact CA-O 3.45Å; T41-F154 HydrophobicContact CG2-CB 4.32Å
42	L	98.4	Very high	82	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	106.7	170.3	-178	57.5	0	0	0	109.2	V44 V115 A127 F129 I142 F145 K152 V153 F154	L42-V44 HydrophobicContact CD2-CG2 4.37Å; L42-V44 HydrophobicContact CG-CG2 3.98Å; L42-V115 HydrophobicContact CD1-CG1 3.93Å; L42-V115 HydrophobicContact CD1-CG2 4.42Å; L42-A127 CarbonylContact C-O 3.55Å; L42-A127 WeakPolarHBondContact CA-O 3.45Å; L42-A127 HydrophobicContact CD1-CB 3.88Å; L42-F129 HydrophobicContact CD1-CB 3.95Å; L42-I142 HydrophobicContact CD2-CG2 3.7Å; L42-F145 HydrophobicContact CD2-CD1 4.1Å; L42-F145 HydrophobicContact CD2-CE1 4.28Å; L42-K152 PolarHBondContact N-O 3.22Å; L42-V153 WeakPolarHBondContact O-CA 3.49Å; L42-F154 PolarHBondContact O-N 3.48Å
43	I	98.7	Very high	84.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	123.4	171.9	-58.9	-177.7	0	0	0	108.4	T41 M45 L60 L64 V126 A127 V128 F129 F154 V156 I239	T41-I43 HydrophobicContact CG2-CG1 4.26Å; I43-M45 HydrophobicContact CG2-SD 4.28Å; I43-L60 HydrophobicContact CD1-CD2 3.62Å; I43-L64 HydrophobicContact CD1-CD1 4.45Å; I43-V126 HydrophobicContact CD1-CG1 3.61Å; I43-V126 HydrophobicContact CG1-CG1 3.82Å; I43-A127 PolarHBondContact N-O 3.24Å; I43-V128 HydrophobicContact CB-CG1 4.48Å; I43-V128 HydrophobicContact CB-CG2 4.23Å; I43-V128 HydrophobicContact CD1-CG2 4.2Å; I43-V128 HydrophobicContact CG2-CG1 4.36Å; I43-V128 CarbonylContact O-C 3.6Å; I43-F129 PolarHBondContact O-N 3.41Å; I43-F154 CarbonylContact C-O 3.6Å; I43-F154 VanDerWaalsContact CA-O 3.26Å; I43-F154 WeakPolarHBondContact CA-O 3.44Å; I43-V156 HydrophobicContact CG2-CG2 3.72Å; I43-I239 HydrophobicContact CD1-CD1 3.49Å; I43-I239 VanDerWaalsContact CD1-CD1 3.49Å; I43-I239 HydrophobicContact CD1-CG1 4.23Å; I43-I239 HydrophobicContact CG1-CD1 4.29Å
44	V	98.8	Very high	86.3	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	112.4	-176.8	-176.1	0	0	0	0	109.5	L42 N133 I142 V153 F154 F155 V156	L42-V44 HydrophobicContact CD2-CG2 4.37Å; L42-V44 HydrophobicContact CG-CG2 3.98Å; V44-N133 HydrophobicContact CG1-CB 4.28Å; V44-N133 WeakPolarHBondContact CG1-ND2 3.4Å; V44-I142 HydrophobicContact CG1-CD1 3.94Å; V44-I142 HydrophobicContact CG1-CG2 4.45Å; V44-I142 HydrophobicContact CG2-CG2 3.58Å; V44-V153 HydrophobicContact CG2-CG1 3.77Å; V44-F154 PolarHBondContact N-O 2.87Å; V44-F155 HydrophobicContact CB-CD1 3.55Å; V44-F155 HydrophobicContact CB-CE1 3.78Å; V44-F155 HydrophobicContact CB-CG 4.34Å; V44-F155 HydrophobicContact CG1-CD1 3.7Å; V44-F155 HydrophobicContact CG1-CE1 3.7Å; V44-F155 HydrophobicContact CG2-CD1 4.39Å; V44-F155 HydrophobicContact CG2-CE1 4.21Å; V44-F155 WeakPolarHBondContact O-CA 3.43Å; V44-V156 PolarHBondContact O-N 2.83Å
45	M	98.6	Very high	88.1	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	138.4	176.4	-55	-55.2	-58	0	0	110.3	I43 K53 I56 S57 V128 F129 D130 N133 V156	I43-M45 HydrophobicContact CG2-SD 4.28Å; M45-K53 HydrophobicContact CB-CB 4.35Å; M45-K53 HydrophobicContact CB-CD 4.05Å; M45-K53 HydrophobicContact CB-CG 4.45Å; M45-K53 HydrophobicContact CE-CB 4.19Å; M45-K53 HydrophobicContact CE-CG 4.44Å; M45-I56 HydrophobicContact CE-CB 3.98Å; M45-I56 HydrophobicContact CE-CG2 3.8Å; M45-S57 VanDerWaalsContact CG-OG 3.23Å; M45-S57 WeakPolarHBondContact CG-OG 3.23Å; M45-S57 PolarHBondContact SD-OG 3.47Å; M45-V128 HydrophobicContact CG-CG1 4.17Å; M45-V128 HydrophobicContact SD-CG1 4.08Å; M45-F129 PolarHBondContact N-O 3.11Å; M45-D130 HydrophobicContact CG-CB 4.28Å; M45-N133 WeakPolarHBondContact O-CB 3.15Å; M45-N133 PolarHBondContact O-ND2 3.11Å; M45-V156 WeakPolarHBondContact CA-O 3.32Å; M45-V156 HydrophobicContact CE-CB 3.93Å; M45-V156 HydrophobicContact CE-CG1 3.75Å; M45-V156 HydrophobicContact SD-CB 3.92Å; M45-V156 HydrophobicContact SD-CG1 4.33Å
46	V	98.5	Very high	89.8	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.2	177.6	-176.1	0	0	0	0	109.9	T132 N133 F155 V156 E157 S158	V46-T132 CarbonylContact C-O 3.57Å; V46-T132 WeakPolarHBondContact CA-O 3.42Å; V46-N133 HydrophobicContact CG2-CB 4.23Å; V46-F155 HydrophobicContact CG2-CB 4.42Å; V46-F155 HydrophobicContact CG2-CD1 3.76Å; V46-V156 PolarHBondContact N-O 3.23Å; V46-E157 HydrophobicContact CB-CB 3.92Å; V46-E157 HydrophobicContact CB-CG 3.92Å; V46-E157 HydrophobicContact CG1-CB 4.35Å; V46-E157 HydrophobicContact CG1-CG 3.86Å; V46-E157 WeakPolarHBondContact O-CA 3.46Å; V46-S158 PolarHBondContact O-N 3.38Å
47	G	96.9	Very high	91.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	136.8	168.9	169.8	0	0	0	0	0	113.7	K53 T132	G47-K53 WeakPolarHBondContact O-CE 3.5Å; G47-K53 PolarHBondContact O-NZ 2.98Å; G47-T132 PolarHBondContact N-O 3.28Å; G47-T132 WeakPolarHBondContact O-CA 3.46Å
48	L	95.9	Very high	93.1	Very high	11 Å²	11	21.7 Å²	21.7	6%	0.058	12%	0.12	C	C	.	.			trans	-63.8	160.9	-178.8	-64.3	176	0	0	0	112.8	R51 K53 T134 K200 Y203	L48-R51 HydrophobicContact CB-CG 3.97Å; L48-R51 WeakPolarHBondContact O-CB 3.14Å; L48-R51 WeakPolarHBondContact O-CG 3.46Å; L48-K53 PolarHBondContact O-NZ 2.89Å; L48-T134 HydrophobicContact CD2-CG2 4.29Å; L48-K200 HydrophobicContact CD1-CG 3.67Å; L48-K200 HydrophobicContact CD2-CG 4.15Å; L48-Y203 HydrophobicContact CD1-CD1 3.99Å; L48-Y203 HydrophobicContact CD1-CE1 4.3Å; L48-Y203 HydrophobicContact CD2-CD1 3.8Å; L48-Y203 HydrophobicContact CD2-CG 3.94Å; L48-Y203 HydrophobicContact CG-CD1 3.74Å; L48-Y203 HydrophobicContact CG-CE1 4.02Å; L48-Y203 HydrophobicContact CG-CG 4.32Å
49	P	92.6	Very high	94.1	Very high	10 Å²	10	15.9 Å²	15.9	7%	0.065	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	154.7	170.1	-21.1	32.3	0	0	0	112.8	R51 T132 F192 I196 Y199	P49-R51 VanDerWaalsContact C-N 3.28Å; P49-R51 PolarHBondContact O-N 3.49Å; P49-R51 PolarHBondContact O-NH1 3.14Å; P49-T132 HydrophobicContact CG-CG2 4.33Å; P49-F192 HydrophobicContact CB-CE1 3.84Å; P49-F192 HydrophobicContact CB-CZ 3.64Å; P49-I196 HydrophobicContact CB-CG1 3.94Å; P49-I196 HydrophobicContact CG-CG1 4.29Å; P49-Y199 HydrophobicContact CG-CD2 3.58Å; P49-Y199 HydrophobicContact CG-CE2 3.94Å; P49-Y199 HydrophobicContact CG-CG 4.22Å
50	A	88.9	Confident	94.5	Very high	7 Å²	7	13.8 Å²	13.8	6%	0.058	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	34.7	-175.7	0	0	0	0	0	115.3	N169 I170 F192 I196	A50-N169 HydrophobicContact CB-CB 4.21Å; A50-N169 PolarHBondContact O-ND2 3.36Å; A50-I170 HydrophobicContact CB-CG1 3.75Å; A50-F192 HydrophobicContact CB-CE1 3.61Å; A50-F192 HydrophobicContact CB-CZ 4.31Å; A50-I196 HydrophobicContact CB-CD1 4.4Å
51	R	91.4	Very high	94.6	Very high	13 Å²	13	12.8 Å²	12.8	5%	0.049	7%	0.067	C	C	.	.	S	Bend	trans	-108	24.5	173.6	-58.5	-57.9	-172.8	-99.4	13.1	113.6	L48 P49 K53 S158 C160 I166	L48-R51 HydrophobicContact CB-CG 3.97Å; L48-R51 WeakPolarHBondContact O-CB 3.14Å; L48-R51 WeakPolarHBondContact O-CG 3.46Å; P49-R51 VanDerWaalsContact C-N 3.28Å; P49-R51 PolarHBondContact O-N 3.49Å; P49-R51 PolarHBondContact O-NH1 3.14Å; R51-K53 PolarHBondContact O-N 3.07Å; R51-K53 VanDerWaalsContact O-N 3.11Å; R51-S158 WeakPolarHBondContact O-CB 3.37Å; R51-S158 PolarHBondContact O-OG 3.04Å; R51-C160 VanDerWaalsContact CD-CB 3.46Å; R51-C160 PolarHBondContact NE-O 2.84Å; R51-C160 PolarHBondContact NH2-O 2.85Å; R51-I166 VanDerWaalsContact CZ-CD1 3.43Å; R51-I166 VanDerWaalsContact NH1-CG1 3.3Å
52	G	88.7	Confident	94.6	Very high	23 Å²	23	13.7 Å²	13.7	24%	0.237	7%	0.07	C	C	.	.	S	Bend	trans	68.8	9.3	177.4	0	0	0	0	0	116.6	T54 Y55 I56	G52-T54 PolarHBondContact O-N 2.85Å; G52-Y55 WeakPolarHBondContact O-CB 3.31Å; G52-Y55 PolarHBondContact O-N 3.35Å; G52-Y55 VanDerWaalsContact O-N 3.12Å; G52-I56 WeakPolarHBondContact O-CG1 3.09Å; G52-I56 PolarHBondContact O-N 3.29Å
53	K	92.8	Very high	94.5	Very high	16 Å²	16	13.7 Å²	13.7	7%	0.07	7%	0.07	C	C	.	.	H	α-helix	trans	-52.4	-55.5	179.9	-64.8	-170.8	-58.3	-76.1	0	113.1	M45 G47 L48 R51 Y55 I56 S57 A131	M45-K53 HydrophobicContact CB-CB 4.35Å; M45-K53 HydrophobicContact CB-CD 4.05Å; M45-K53 HydrophobicContact CB-CG 4.45Å; M45-K53 HydrophobicContact CE-CB 4.19Å; M45-K53 HydrophobicContact CE-CG 4.44Å; G47-K53 WeakPolarHBondContact O-CE 3.5Å; G47-K53 PolarHBondContact O-NZ 2.98Å; L48-K53 PolarHBondContact O-NZ 2.89Å; R51-K53 PolarHBondContact O-N 3.07Å; R51-K53 VanDerWaalsContact O-N 3.11Å; K53-Y55 VanDerWaalsContact C-N 3.26Å; K53-Y55 PolarHBondContact O-N 2.78Å; K53-I56 WeakPolarHBondContact O-CB 3.44Å; K53-I56 PolarHBondContact O-N 3.05Å; K53-I56 VanDerWaalsContact O-N 3.12Å; K53-S57 PolarHBondContact O-N 3.05Å; K53-S57 PolarHBondContact O-OG 3.24Å; K53-A131 WeakPolarHBondContact CD-O 3.37Å; K53-A131 WeakPolarHBondContact CE-O 3.29Å
54	T	90.6	Very high	94.4	Very high	20 Å²	20	13.7 Å²	13.7	12%	0.123	7%	0.07	C	C	.	.	H	α-helix	trans	-61.7	-33.3	179.3	-50.7	0	0	0	0	112.8	G52 K58 D130 Y429	G52-T54 PolarHBondContact O-N 2.85Å; T54-K58 WeakPolarHBondContact O-CG 3.23Å; T54-K58 PolarHBondContact O-N 2.87Å; T54-D130 VanDerWaalsContact CA-OD2 3.28Å; T54-D130 WeakPolarHBondContact CA-OD2 3.36Å; T54-D130 VanDerWaalsContact CB-OD2 3.27Å; T54-D130 WeakPolarHBondContact CB-OD2 3.35Å; T54-D130 WeakPolarHBondContact CG2-OD2 3.48Å; T54-D130 PolarHBondContact OG1-OD2 2.81Å; T54-Y429 HydrophobicContact CG2-CD1 4.46Å; T54-Y429 HydrophobicContact CG2-CE1 3.71Å
55	Y	89.9	Confident	94.3	Very high	38 Å²	38	16.7 Å²	16.7	15%	0.149	9%	0.086	C	C	.	.	H	α-helix	trans	-63.2	-51.3	173.5	169.9	-87.7	0	0	0	110.5	G52 K53 S57 K58 K59 H247 V248 A428	G52-Y55 WeakPolarHBondContact O-CB 3.31Å; G52-Y55 PolarHBondContact O-N 3.35Å; G52-Y55 VanDerWaalsContact O-N 3.12Å; K53-Y55 VanDerWaalsContact C-N 3.26Å; K53-Y55 PolarHBondContact O-N 2.78Å; Y55-S57 PolarHBondContact O-N 2.59Å; Y55-K58 PolarHBondContact O-N 3.16Å; Y55-K59 HydrophobicContact CE1-CD 3.83Å; Y55-K59 HydrophobicContact CE1-CG 4.43Å; Y55-K59 HydrophobicContact CE2-CD 4.29Å; Y55-K59 WeakPolarHBondContact O-CB 3.48Å; Y55-K59 PolarHBondContact O-N 3.26Å; Y55-K59 WeakPolarHBondContact OH-CD 3.48Å; Y55-K59 WeakPolarHBondContact OH-CE 3.17Å; Y55-K59 PolarHBondContact OH-NZ 3.26Å; Y55-H247 PolarHBondContact OH-O 3.01Å; Y55-H247 VanDerWaalsContact OH-O 3.05Å; Y55-V248 HydrophobicContact CD1-CG1 4.31Å; Y55-V248 HydrophobicContact CE1-CG1 3.79Å; Y55-A428 WeakPolarHBondContact CD2-O 3.31Å
56	I	93.8	Very high	94.2	Very high	12 Å²	12	17.4 Å²	17.4	6%	0.062	9%	0.089	C	C	.	.	H	α-helix	trans	-58.7	-47.7	177.1	-67.4	164.3	0	0	0	110.4	M45 G52 K53 K58 K59 L60 V156 I219 L243	M45-I56 HydrophobicContact CE-CB 3.98Å; M45-I56 HydrophobicContact CE-CG2 3.8Å; G52-I56 WeakPolarHBondContact O-CG1 3.09Å; G52-I56 PolarHBondContact O-N 3.29Å; K53-I56 WeakPolarHBondContact O-CB 3.44Å; K53-I56 PolarHBondContact O-N 3.05Å; K53-I56 VanDerWaalsContact O-N 3.12Å; I56-K58 PolarHBondContact O-N 2.91Å; I56-K59 PolarHBondContact O-N 2.77Å; I56-L60 WeakPolarHBondContact O-CB 3.19Å; I56-L60 PolarHBondContact O-N 3.47Å; I56-V156 HydrophobicContact CG2-CG1 4.2Å; I56-I219 HydrophobicContact CD1-CD1 4.03Å; I56-L243 HydrophobicContact CG2-CD2 3.45Å; I56-L243 VanDerWaalsContact CG2-CD2 3.45Å
57	S	95.3	Very high	94	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-56.7	-49.4	179.6	-57.8	0	0	0	0	111.8	M45 K53 Y55 T61	M45-S57 VanDerWaalsContact CG-OG 3.23Å; M45-S57 WeakPolarHBondContact CG-OG 3.23Å; M45-S57 PolarHBondContact SD-OG 3.47Å; K53-S57 PolarHBondContact O-N 3.05Å; K53-S57 PolarHBondContact O-OG 3.24Å; Y55-S57 PolarHBondContact O-N 2.59Å; S57-T61 VanDerWaalsContact O-CB 3.31Å; S57-T61 WeakPolarHBondContact O-CB 3.42Å; S57-T61 PolarHBondContact O-N 3.3Å; S57-T61 PolarHBondContact O-OG1 2.89Å
58	K	93.4	Very high	93.8	Very high	92 Å²	92	18.5 Å²	18.5	40%	0.4	10%	0.1	S	C	.	.	H	α-helix	trans	-67.6	-46.1	-179.7	-72.6	-169.8	-177.8	-175.7	0	112.5	T54 Y55 I56 L60 T61 R62 Y429	T54-K58 WeakPolarHBondContact O-CG 3.23Å; T54-K58 PolarHBondContact O-N 2.87Å; Y55-K58 PolarHBondContact O-N 3.16Å; I56-K58 PolarHBondContact O-N 2.91Å; K58-L60 PolarHBondContact O-N 3.01Å; K58-T61 PolarHBondContact O-N 2.91Å; K58-R62 WeakPolarHBondContact O-CB 3.09Å; K58-R62 PolarHBondContact O-N 3.2Å; K58-Y429 HydrophobicContact CD-CD1 3.8Å; K58-Y429 HydrophobicContact CD-CG 4.45Å
59	K	94	Very high	93.7	Very high	12 Å²	12	18 Å²	18	5%	0.052	10%	0.098	C	C	.	.	H	α-helix	trans	-60.3	-46.2	177.4	-96.5	-155.9	170.4	-174.8	0	111.6	Y55 I56 R62 Y63 Y242 I246 E382	Y55-K59 HydrophobicContact CE1-CD 3.83Å; Y55-K59 HydrophobicContact CE1-CG 4.43Å; Y55-K59 HydrophobicContact CE2-CD 4.29Å; Y55-K59 WeakPolarHBondContact O-CB 3.48Å; Y55-K59 PolarHBondContact O-N 3.26Å; Y55-K59 WeakPolarHBondContact OH-CD 3.48Å; Y55-K59 WeakPolarHBondContact OH-CE 3.17Å; Y55-K59 PolarHBondContact OH-NZ 3.26Å; I56-K59 PolarHBondContact O-N 2.77Å; K59-R62 PolarHBondContact O-N 3.37Å; K59-Y63 PolarHBondContact O-N 3.44Å; K59-Y242 HydrophobicContact CB-CE1 4.31Å; K59-Y242 PolarHBondContact O-OH 2.85Å; K59-I246 HydrophobicContact CD-CG2 4.39Å; K59-E382 IonicContact NZ-OE1 3.82Å; K59-E382 PolarHBondContact NZ-OE1 3.11Å; K59-E382 IonicContact NZ-OE2 2.98Å; K59-E382 PolarHBondContact NZ-OE2 3.16Å
60	L	96.1	Very high	93.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.4	-45.8	179.3	-177	63.1	0	0	0	111.5	I43 I56 K58 R62 Y63 L64 I239 Y242	I43-L60 HydrophobicContact CD1-CD2 3.62Å; I56-L60 WeakPolarHBondContact O-CB 3.19Å; I56-L60 PolarHBondContact O-N 3.47Å; K58-L60 PolarHBondContact O-N 3.01Å; L60-R62 VanDerWaalsContact C-N 3.34Å; L60-R62 PolarHBondContact O-N 3.35Å; L60-Y63 HydrophobicContact CD1-CD1 4.35Å; L60-Y63 PolarHBondContact O-N 2.86Å; L60-L64 HydrophobicContact CD1-CD1 4.26Å; L60-L64 HydrophobicContact CD1-CG 4.21Å; L60-L64 HydrophobicContact CG-CD1 4.05Å; L60-L64 HydrophobicContact CG-CG 4.37Å; L60-L64 WeakPolarHBondContact O-CB 3.43Å; L60-L64 VanDerWaalsContact O-CG 3.29Å; L60-L64 WeakPolarHBondContact O-CG 3.31Å; L60-L64 PolarHBondContact O-N 3.04Å; L60-I239 HydrophobicContact CD1-CB 4.38Å; L60-I239 HydrophobicContact CD1-CG1 4.1Å; L60-I239 HydrophobicContact CD1-CG2 4.06Å; L60-I239 HydrophobicContact CD2-CG1 4.45Å; L60-I239 HydrophobicContact CD2-CG2 3.84Å; L60-Y242 HydrophobicContact CB-CE1 4.45Å; L60-Y242 HydrophobicContact CD1-CD1 3.67Å; L60-Y242 HydrophobicContact CD1-CE1 4.27Å; L60-Y242 HydrophobicContact CD1-CG 4.45Å
61	T	97.1	Very high	94.2	Very high	14 Å²	14	19.6 Å²	19.6	9%	0.086	11%	0.109	C	C	.	.	H	α-helix	trans	-60.2	-43.2	175.8	-68.2	0	0	0	0	112.2	S57 K58 L64 N65 T71 V73 V128	S57-T61 VanDerWaalsContact O-CB 3.31Å; S57-T61 WeakPolarHBondContact O-CB 3.42Å; S57-T61 PolarHBondContact O-N 3.3Å; S57-T61 PolarHBondContact O-OG1 2.89Å; K58-T61 PolarHBondContact O-N 2.91Å; T61-L64 PolarHBondContact O-N 3.38Å; T61-N65 WeakPolarHBondContact CG2-ND2 3.46Å; T61-N65 WeakPolarHBondContact O-CB 3.49Å; T61-N65 PolarHBondContact O-N 3.37Å; T61-N65 PolarHBondContact O-ND2 3.26Å; T61-T71 HydrophobicContact CG2-CG2 3.87Å; T61-T71 WeakPolarHBondContact CG2-O 3.42Å; T61-T71 WeakPolarHBondContact OG1-CG2 3.49Å; T61-V73 HydrophobicContact CG2-CG2 4.07Å; T61-V73 WeakPolarHBondContact OG1-CG2 3.18Å; T61-V128 WeakPolarHBondContact OG1-CG2 3.5Å
62	R	96.1	Very high	94.5	Very high	19 Å²	19	23.6 Å²	23.6	7%	0.072	13%	0.126	C	C	.	.	H	α-helix	trans	-60	-47.2	176.2	-176.5	173.7	75.7	174.3	-1.3	112	K58 K59 L60 W66 E382 Y402 F403 D405	K58-R62 WeakPolarHBondContact O-CB 3.09Å; K58-R62 PolarHBondContact O-N 3.2Å; K59-R62 PolarHBondContact O-N 3.37Å; L60-R62 VanDerWaalsContact C-N 3.34Å; L60-R62 PolarHBondContact O-N 3.35Å; R62-W66 VanDerWaalsContact O-CB 3.27Å; R62-W66 WeakPolarHBondContact O-CB 3.19Å; R62-W66 PolarHBondContact O-N 3.41Å; R62-E382 IonicContact NH2-OE1 2.82Å; R62-Y402 WeakPolarHBondContact CD-O 3.17Å; R62-Y402 WeakPolarHBondContact CG-O 3.22Å; R62-Y402 PolarHBondContact NE-O 3.43Å; R62-F403 PolarHBondContact NH1-O 3.05Å; R62-D405 HydrophobicContact CG-CB 4.1Å; R62-D405 WeakPolarHBondContact CG-OD1 3.33Å
63	Y	96.8	Very high	94.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61	-48.6	175.8	165.2	-113.7	0	0	0	112.5	K59 L60 N65 W66 I67 R238 Y242 E375 M379 Y402	K59-Y63 PolarHBondContact O-N 3.44Å; L60-Y63 HydrophobicContact CD1-CD1 4.35Å; L60-Y63 PolarHBondContact O-N 2.86Å; Y63-N65 PolarHBondContact O-N 2.86Å; Y63-W66 PolarHBondContact O-N 3.2Å; Y63-I67 HydrophobicContact CD1-CD1 4.07Å; Y63-I67 HydrophobicContact CD2-CD1 4.23Å; Y63-I67 HydrophobicContact CD2-CG2 3.99Å; Y63-I67 HydrophobicContact CE1-CD1 3.62Å; Y63-I67 HydrophobicContact CE2-CD1 3.77Å; Y63-I67 HydrophobicContact CE2-CG2 3.58Å; Y63-I67 HydrophobicContact CG-CD1 4.38Å; Y63-I67 VanDerWaalsContact CZ-CD1 3.45Å; Y63-I67 WeakPolarHBondContact O-CG1 3.4Å; Y63-I67 PolarHBondContact O-N 3.18Å; Y63-R238 PolarHBondContact OH-NE 3.26Å; Y63-Y242 HydrophobicContact CD1-CD1 4.01Å; Y63-Y242 AromaticContact CD1-CD2 3.6Å; Y63-Y242 HydrophobicContact CD1-CD2 3.6Å; Y63-Y242 HydrophobicContact CD1-CE1 4.43Å; Y63-Y242 HydrophobicContact CD1-CE2 4.06Å; Y63-Y242 AromaticContact CD1-CG 3.55Å; Y63-Y242 HydrophobicContact CD1-CG 3.55Å; Y63-Y242 AromaticContact CD2-CD2 3.9Å; Y63-Y242 HydrophobicContact CD2-CD2 3.9Å; Y63-Y242 AromaticContact CD2-CE2 3.95Å; Y63-Y242 HydrophobicContact CD2-CE2 3.95Å; Y63-Y242 AromaticContact CE1-CD2 3.92Å; Y63-Y242 HydrophobicContact CE1-CD2 3.92Å; Y63-Y242 AromaticContact CE1-CG 3.84Å; Y63-Y242 HydrophobicContact CE1-CG 3.84Å; Y63-Y242 HydrophobicContact CE2-CD2 4.22Å; Y63-Y242 HydrophobicContact CG-CD1 4.42Å; Y63-Y242 AromaticContact CG-CD2 3.57Å; Y63-Y242 HydrophobicContact CG-CD2 3.57Å; Y63-Y242 HydrophobicContact CG-CE1 4.45Å; Y63-Y242 AromaticContact CG-CE2 3.6Å; Y63-Y242 HydrophobicContact CG-CE2 3.6Å; Y63-Y242 AromaticContact CG-CG 3.99Å; Y63-Y242 HydrophobicContact CG-CG 3.99Å; Y63-E375 HydrophobicContact CE2-CG 4.33Å; Y63-E375 PolarHBondContact OH-OE1 2.94Å; Y63-M379 HydrophobicContact CD2-CE 3.67Å; Y63-M379 HydrophobicContact CE2-CE 3.36Å; Y63-M379 HydrophobicContact CE2-SD 4.13Å; Y63-Y402 HydrophobicContact CD2-CE2 4.39Å
64	L	96.6	Very high	95.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63	-41.8	-179.9	-69.8	-179.6	0	0	0	112	I43 L60 T61 I67 G68 V69 T71 V126 I235 I239	I43-L64 HydrophobicContact CD1-CD1 4.45Å; L60-L64 HydrophobicContact CD1-CD1 4.26Å; L60-L64 HydrophobicContact CD1-CG 4.21Å; L60-L64 HydrophobicContact CG-CD1 4.05Å; L60-L64 HydrophobicContact CG-CG 4.37Å; L60-L64 WeakPolarHBondContact O-CB 3.43Å; L60-L64 VanDerWaalsContact O-CG 3.29Å; L60-L64 WeakPolarHBondContact O-CG 3.31Å; L60-L64 PolarHBondContact O-N 3.04Å; T61-L64 PolarHBondContact O-N 3.38Å; L64-I67 HydrophobicContact CD2-CD1 3.87Å; L64-I67 WeakPolarHBondContact O-CG1 3.19Å; L64-G68 PolarHBondContact O-N 3.1Å; L64-V69 CarbonylContact C-O 3.56Å; L64-V69 VanDerWaalsContact C-O 3.25Å; L64-V69 HydrophobicContact CB-CB 4.26Å; L64-V69 CarbonylContact O-C 3.24Å; L64-V69 WeakPolarHBondContact O-CA 3.16Å; L64-V69 WeakPolarHBondContact O-CB 3.38Å; L64-V69 PolarHBondContact O-N 3.27Å; L64-V69 VanDerWaalsContact O-O 3.07Å; L64-T71 HydrophobicContact CB-CG2 4.33Å; L64-T71 WeakPolarHBondContact CB-OG1 3.45Å; L64-T71 HydrophobicContact CD1-CG2 4Å; L64-V126 HydrophobicContact CD1-CB 4.44Å; L64-V126 HydrophobicContact CD1-CG1 4.1Å; L64-I235 HydrophobicContact CD2-CD1 3.68Å; L64-I239 HydrophobicContact CD1-CG1 4.37Å; L64-I239 HydrophobicContact CD2-CG1 4.44Å
65	N	96.3	Very high	95.4	Very high	63 Å²	63	24.2 Å²	24.2	34%	0.337	13%	0.125	S	C	.	.	H	α-helix	trans	-64.8	-42.2	174.2	-78.4	-43	0	0	0	111.8	T61 Y63 I67 G68 V69 T71	T61-N65 WeakPolarHBondContact CG2-ND2 3.46Å; T61-N65 WeakPolarHBondContact O-CB 3.49Å; T61-N65 PolarHBondContact O-N 3.37Å; T61-N65 PolarHBondContact O-ND2 3.26Å; Y63-N65 PolarHBondContact O-N 2.86Å; N65-I67 PolarHBondContact O-N 3.38Å; N65-G68 PolarHBondContact O-N 3.09Å; N65-V69 PolarHBondContact N-O 2.93Å; N65-V69 PolarHBondContact OD1-O 3.26Å; N65-T71 PolarHBondContact ND2-O 3.36Å; N65-T71 PolarHBondContact OD1-N 2.99Å; N65-T71 PolarHBondContact OD1-O 2.93Å
66	W	96.9	Very high	95.7	Very high	15 Å²	15	23.1 Å²	23.1	6%	0.057	12%	0.123	C	C	.	.	H	α-helix	trans	-61.9	-40.8	-179.2	-176	82.5	0	0	0	112.1	R62 Y63 G68 V371 L374 E375 I378 C398 Y402	R62-W66 VanDerWaalsContact O-CB 3.27Å; R62-W66 WeakPolarHBondContact O-CB 3.19Å; R62-W66 PolarHBondContact O-N 3.41Å; Y63-W66 PolarHBondContact O-N 3.2Å; W66-G68 PolarHBondContact O-N 3.2Å; W66-V371 HydrophobicContact CD2-CG1 4.11Å; W66-V371 HydrophobicContact CE3-CG1 4.09Å; W66-V371 HydrophobicContact CH2-CG1 4.11Å; W66-V371 WeakPolarHBondContact CH2-O 3.41Å; W66-V371 HydrophobicContact CZ2-CB 4.34Å; W66-V371 HydrophobicContact CZ2-CG1 4.16Å; W66-V371 HydrophobicContact CZ2-CG2 4.14Å; W66-V371 HydrophobicContact CZ3-CG1 4.07Å; W66-V371 WeakPolarHBondContact O-CG1 3.41Å; W66-L374 HydrophobicContact CH2-CB 3.84Å; W66-L374 HydrophobicContact CZ2-CB 4.23Å; W66-E375 HydrophobicContact CZ3-CB 4.27Å; W66-I378 HydrophobicContact CE3-CG1 4.37Å; W66-I378 HydrophobicContact CH2-CB 4.49Å; W66-I378 HydrophobicContact CH2-CD1 4.5Å; W66-I378 HydrophobicContact CH2-CG1 3.5Å; W66-I378 HydrophobicContact CZ2-CD1 4.44Å; W66-I378 HydrophobicContact CZ2-CG1 3.89Å; W66-I378 HydrophobicContact CZ3-CB 4.37Å; W66-I378 HydrophobicContact CZ3-CG1 3.77Å; W66-C398 HydrophobicContact CZ2-CB 4.42Å; W66-C398 PolarHBondContact NE1-O 3.15Å; W66-Y402 HydrophobicContact CB-CD2 4.02Å; W66-Y402 HydrophobicContact CD2-CD2 4.03Å; W66-Y402 HydrophobicContact CD2-CG 4.48Å; W66-Y402 HydrophobicContact CE3-CD2 4.33Å; W66-Y402 AromaticContact CG-CD2 3.88Å; W66-Y402 HydrophobicContact CG-CD2 3.88Å; W66-Y402 HydrophobicContact CG-CG 4.42Å
67	I	94.5	Very high	95.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	6.4	175.2	70.3	-156.1	0	0	0	114.1	Y63 L64 N65 V69 Q372 E375	Y63-I67 HydrophobicContact CD1-CD1 4.07Å; Y63-I67 HydrophobicContact CD2-CD1 4.23Å; Y63-I67 HydrophobicContact CD2-CG2 3.99Å; Y63-I67 HydrophobicContact CE1-CD1 3.62Å; Y63-I67 HydrophobicContact CE2-CD1 3.77Å; Y63-I67 HydrophobicContact CE2-CG2 3.58Å; Y63-I67 HydrophobicContact CG-CD1 4.38Å; Y63-I67 VanDerWaalsContact CZ-CD1 3.45Å; Y63-I67 WeakPolarHBondContact O-CG1 3.4Å; Y63-I67 PolarHBondContact O-N 3.18Å; L64-I67 HydrophobicContact CD2-CD1 3.87Å; L64-I67 WeakPolarHBondContact O-CG1 3.19Å; N65-I67 PolarHBondContact O-N 3.38Å; I67-V69 HydrophobicContact CG1-CG2 4.25Å; I67-Q372 PolarHBondContact O-NE2 3.23Å; I67-Q372 VanDerWaalsContact O-NE2 3.09Å; I67-E375 HydrophobicContact CG2-CG 4.29Å
68	G	91.6	Very high	95.4	Very high	23 Å²	23	28.1 Å²	28.1	24%	0.237	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	14.3	173.8	0	0	0	0	0	116.3	L64 N65 W66	L64-G68 PolarHBondContact O-N 3.1Å; N65-G68 PolarHBondContact O-N 3.09Å; W66-G68 PolarHBondContact O-N 3.2Å
69	V	93.7	Very high	95.5	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	14%	0.139	C	C	.	.			trans	-99.1	108.3	175.4	-178.3	0	0	0	0	110.1	F36 L64 N65 I67 T71 Q125 V126 I235	F36-V69 HydrophobicContact CB-CG2 4.49Å; F36-V69 HydrophobicContact CD2-CG2 3.83Å; L64-V69 CarbonylContact C-O 3.56Å; L64-V69 VanDerWaalsContact C-O 3.25Å; L64-V69 HydrophobicContact CB-CB 4.26Å; L64-V69 CarbonylContact O-C 3.24Å; L64-V69 WeakPolarHBondContact O-CA 3.16Å; L64-V69 WeakPolarHBondContact O-CB 3.38Å; L64-V69 PolarHBondContact O-N 3.27Å; L64-V69 VanDerWaalsContact O-O 3.07Å; N65-V69 PolarHBondContact N-O 2.93Å; N65-V69 PolarHBondContact OD1-O 3.26Å; I67-V69 HydrophobicContact CG1-CG2 4.25Å; V69-T71 PolarHBondContact O-N 3.39Å; V69-T71 PolarHBondContact O-OG1 3.45Å; V69-Q125 HydrophobicContact CG1-CB 3.99Å; V69-V126 HydrophobicContact CG1-CG2 3.76Å; V69-I235 HydrophobicContact CG1-CD1 4.23Å; V69-I235 HydrophobicContact CG2-CD1 4.16Å
70	S	94.9	Very high	95.4	Very high	44 Å²	44	25.3 Å²	25.3	31%	0.308	14%	0.138	S	C	.	.			trans	-58.3	109.3	-178.8	-176.5	0	0	0	0	110.9	Y118 Q125 V126	S70-Y118 PolarHBondContact O-OH 3.31Å; S70-Y118 PolarHBondContact OG-OH 3.32Å; S70-Q125 PolarHBondContact O-N 3.16Å; S70-V126 PolarHBondContact O-N 3.08Å
71	T	97.3	Very high	95.1	Very high	6 Å²	6	29.2 Å²	29.2	4%	0.037	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	137.9	-172.4	-53.9	0	0	0	0	112.3	T61 L64 N65 V69 Y118 V126 V128	T61-T71 HydrophobicContact CG2-CG2 3.87Å; T61-T71 WeakPolarHBondContact CG2-O 3.42Å; T61-T71 WeakPolarHBondContact OG1-CG2 3.49Å; L64-T71 HydrophobicContact CB-CG2 4.33Å; L64-T71 WeakPolarHBondContact CB-OG1 3.45Å; L64-T71 HydrophobicContact CD1-CG2 4Å; N65-T71 PolarHBondContact ND2-O 3.36Å; N65-T71 PolarHBondContact OD1-N 2.99Å; N65-T71 PolarHBondContact OD1-O 2.93Å; V69-T71 PolarHBondContact O-N 3.39Å; V69-T71 PolarHBondContact O-OG1 3.45Å; T71-Y118 VanDerWaalsContact C-OH 3.27Å; T71-Y118 WeakPolarHBondContact CA-OH 3.2Å; T71-Y118 PolarHBondContact N-OH 3Å; T71-Y118 VanDerWaalsContact N-OH 3.1Å; T71-V126 VanDerWaalsContact CA-O 3.24Å; T71-V126 WeakPolarHBondContact CA-O 3.1Å; T71-V126 HydrophobicContact CG2-CB 3.94Å; T71-V126 HydrophobicContact CG2-CG1 3.97Å; T71-V128 HydrophobicContact CG2-CG2 3.95Å
72	K	98	Very high	94.7	Very high	97 Å²	97	34.8 Å²	34.8	42%	0.422	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142.3	177	-172.1	173.5	177.4	-176.3	0	112.4	F74 Y118 V126 V128	K72-F74 HydrophobicContact CB-CE2 3.93Å; K72-F74 HydrophobicContact CB-CZ 4.28Å; K72-F74 HydrophobicContact CD-CE1 4.41Å; K72-F74 HydrophobicContact CD-CE2 4.34Å; K72-F74 HydrophobicContact CD-CZ 3.88Å; K72-F74 HydrophobicContact CG-CE2 4.05Å; K72-F74 HydrophobicContact CG-CZ 4.1Å; K72-Y118 HydrophobicContact CB-CD1 4.07Å; K72-Y118 HydrophobicContact CB-CD2 4.36Å; K72-Y118 HydrophobicContact CB-CE1 3.59Å; K72-Y118 HydrophobicContact CB-CE2 3.93Å; K72-Y118 HydrophobicContact CB-CG 4.43Å; K72-Y118 HydrophobicContact CD-CD2 3.94Å; K72-Y118 HydrophobicContact CD-CE2 4.11Å; K72-Y118 HydrophobicContact CD-CG 4.25Å; K72-Y118 PolarHBondContact N-OH 2.88Å; K72-V126 PolarHBondContact N-O 3.26Å; K72-V126 VanDerWaalsContact N-O 3.14Å; K72-V128 PolarHBondContact O-N 2.91Å
73	V	97.9	Very high	94.2	Very high	39 Å²	39	37.2 Å²	37.2	24%	0.236	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	134.8	173.8	-176.1	0	0	0	0	110.4	T61 V128 D130	T61-V73 HydrophobicContact CG2-CG2 4.07Å; T61-V73 WeakPolarHBondContact OG1-CG2 3.18Å; V73-V128 CarbonylContact C-O 3.53Å; V73-V128 WeakPolarHBondContact CA-O 3.2Å; V73-V128 HydrophobicContact CG2-CB 4.25Å; V73-D130 HydrophobicContact CG1-CB 4.01Å
74	F	98.1	Very high	93.4	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	94	173.3	-61.6	-96.3	0	0	0	108.3	K72 V76 D114 V115 Y118 A127 V128 F129 D130	K72-F74 HydrophobicContact CB-CE2 3.93Å; K72-F74 HydrophobicContact CB-CZ 4.28Å; K72-F74 HydrophobicContact CD-CE1 4.41Å; K72-F74 HydrophobicContact CD-CE2 4.34Å; K72-F74 HydrophobicContact CD-CZ 3.88Å; K72-F74 HydrophobicContact CG-CE2 4.05Å; K72-F74 HydrophobicContact CG-CZ 4.1Å; F74-V76 PolarHBondContact O-N 3.43Å; F74-D114 HydrophobicContact CD1-CB 4.02Å; F74-D114 HydrophobicContact CE1-CB 3.75Å; F74-D114 WeakPolarHBondContact CE1-O 3.43Å; F74-V115 HydrophobicContact CB-CG2 4.15Å; F74-V115 HydrophobicContact CD1-CG2 3.8Å; F74-V115 HydrophobicContact CD2-CG2 3.53Å; F74-V115 HydrophobicContact CE1-CG2 4.05Å; F74-V115 HydrophobicContact CE2-CG2 3.8Å; F74-V115 HydrophobicContact CG-CG2 3.53Å; F74-V115 HydrophobicContact CZ-CG2 4.05Å; F74-Y118 AromaticContact CE2-CD1 3.92Å; F74-Y118 HydrophobicContact CE2-CD1 3.92Å; F74-Y118 HydrophobicContact CE2-CG 4.41Å; F74-Y118 AromaticContact CZ-CD1 3.82Å; F74-Y118 HydrophobicContact CZ-CD1 3.82Å; F74-Y118 AromaticContact CZ-CG 3.85Å; F74-Y118 HydrophobicContact CZ-CG 3.85Å; F74-A127 HydrophobicContact CD2-CB 4.05Å; F74-A127 HydrophobicContact CE2-CB 3.7Å; F74-V128 PolarHBondContact N-O 3.12Å; F74-F129 HydrophobicContact CB-CD2 4.26Å; F74-D130 PolarHBondContact O-N 2.77Å
75	N	96.1	Very high	92.1	Very high	32 Å²	32	50.1 Å²	50.1	17%	0.171	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	103.9	-176.8	-175.4	-66.1	0	0	0	110.6	G77 Q78 Y79 D130	N75-G77 PolarHBondContact O-N 2.66Å; N75-G77 VanDerWaalsContact OD1-CA 3.26Å; N75-G77 WeakPolarHBondContact OD1-CA 3.45Å; N75-G77 PolarHBondContact OD1-N 2.91Å; N75-Q78 HydrophobicContact CB-CB 4.44Å; N75-Q78 VanDerWaalsContact O-CB 3.31Å; N75-Q78 WeakPolarHBondContact O-CB 3.27Å; N75-Q78 PolarHBondContact O-N 3.21Å; N75-Q78 PolarHBondContact OD1-N 3.06Å; N75-Q78 VanDerWaalsContact OD1-N 3.16Å; N75-Y79 WeakPolarHBondContact O-CD2 3.27Å; N75-D130 HydrophobicContact CB-CB 4.48Å; N75-D130 PolarHBondContact ND2-OD2 3.19Å
76	V	95.3	Very high	90.4	Very high	16 Å²	16	50.7 Å²	50.7	10%	0.097	26%	0.263	C	S	.	.	H	α-helix	trans	-59.6	-25.7	-177.4	-179.1	0	0	0	0	112.4	F74 Q78 Y79 R80 C107 V108 A111 F129 D130 A131	F74-V76 PolarHBondContact O-N 3.43Å; V76-Q78 VanDerWaalsContact C-N 3.26Å; V76-Q78 PolarHBondContact O-N 3.38Å; V76-Y79 PolarHBondContact O-N 3.38Å; V76-R80 PolarHBondContact O-N 3.05Å; V76-C107 HydrophobicContact CG1-CB 4.31Å; V76-V108 HydrophobicContact CG1-CG2 3.83Å; V76-A111 HydrophobicContact CG2-CB 4.26Å; V76-F129 HydrophobicContact CG2-CE1 3.89Å; V76-F129 HydrophobicContact CG2-CE2 3.92Å; V76-F129 HydrophobicContact CG2-CZ 3.49Å; V76-F129 VanDerWaalsContact CG2-CZ 3.49Å; V76-D130 PolarHBondContact N-O 3.2Å; V76-A131 HydrophobicContact CB-CB 3.92Å; V76-A131 HydrophobicContact CG2-CB 3.6Å
77	G	91.4	Very high	89.1	Confident	20 Å²	20	52.2 Å²	52.2	21%	0.206	27%	0.269	C	S	.	.	H	α-helix	trans	-63.8	-29.6	173.7	0	0	0	0	0	113.7	N75 R80 R81	N75-G77 PolarHBondContact O-N 2.66Å; N75-G77 VanDerWaalsContact OD1-CA 3.26Å; N75-G77 WeakPolarHBondContact OD1-CA 3.45Å; N75-G77 PolarHBondContact OD1-N 2.91Å; G77-R80 PolarHBondContact O-NE 3Å; G77-R80 PolarHBondContact O-NH2 3.36Å; G77-R81 VanDerWaalsContact O-CZ 3.27Å; G77-R81 PolarHBondContact O-N 3.21Å
78	Q	91.8	Very high	88	Confident	97 Å²	97	59.1 Å²	59.1	45%	0.453	31%	0.306	S	S	.	.	H	α-helix	trans	-72.6	-51.5	173.5	-180	175.9	-9.3	0	0	111.2	N75 V76 R80 R81 E82	N75-Q78 HydrophobicContact CB-CB 4.44Å; N75-Q78 VanDerWaalsContact O-CB 3.31Å; N75-Q78 WeakPolarHBondContact O-CB 3.27Å; N75-Q78 PolarHBondContact O-N 3.21Å; N75-Q78 PolarHBondContact OD1-N 3.06Å; N75-Q78 VanDerWaalsContact OD1-N 3.16Å; V76-Q78 VanDerWaalsContact C-N 3.26Å; V76-Q78 PolarHBondContact O-N 3.38Å; Q78-R80 PolarHBondContact O-N 3.21Å; Q78-R81 WeakPolarHBondContact O-CB 3.35Å; Q78-R81 PolarHBondContact O-N 3.03Å; Q78-E82 WeakPolarHBondContact CG-OE1 3.45Å; Q78-E82 PolarHBondContact NE2-OE1 2.88Å; Q78-E82 PolarHBondContact O-N 2.59Å
79	Y	94.3	Very high	87.8	Confident	33 Å²	33	59.1 Å²	59.1	13%	0.129	30%	0.302	C	S	.	.	H	α-helix	trans	-51.3	-42.5	174.2	-71.7	-91.7	0	0	0	112.1	N75 V76 E82 A83 T110 A111 D114	N75-Y79 WeakPolarHBondContact O-CD2 3.27Å; V76-Y79 PolarHBondContact O-N 3.38Å; Y79-E82 PolarHBondContact O-N 2.95Å; Y79-A83 VanDerWaalsContact O-CB 3.3Å; Y79-A83 WeakPolarHBondContact O-CB 3.42Å; Y79-A83 PolarHBondContact O-N 2.93Å; Y79-T110 HydrophobicContact CD1-CG2 3.92Å; Y79-T110 HydrophobicContact CE1-CG2 4.02Å; Y79-A111 HydrophobicContact CD1-CB 4.24Å; Y79-A111 HydrophobicContact CD2-CB 3.76Å; Y79-A111 HydrophobicContact CE1-CB 4.16Å; Y79-A111 HydrophobicContact CE2-CB 3.68Å; Y79-A111 HydrophobicContact CG-CB 4.06Å; Y79-D114 WeakPolarHBondContact CE1-OD2 3.45Å; Y79-D114 VanDerWaalsContact CZ-OD2 3.27Å; Y79-D114 WeakPolarHBondContact OH-CB 3.37Å; Y79-D114 PolarHBondContact OH-OD2 2.7Å
80	R	93	Very high	87.6	Confident	12 Å²	12	61.8 Å²	61.8	5%	0.045	31%	0.312	C	S	.	.	H	α-helix	trans	-62.5	-43.1	174.9	173.2	-128.9	41.5	174.7	-11.7	112.9	V76 G77 Q78 E82 A83 T84 F92 C107 D179	V76-R80 PolarHBondContact O-N 3.05Å; G77-R80 PolarHBondContact O-NE 3Å; G77-R80 PolarHBondContact O-NH2 3.36Å; Q78-R80 PolarHBondContact O-N 3.21Å; R80-E82 VanDerWaalsContact C-N 3.27Å; R80-E82 PolarHBondContact O-N 3.34Å; R80-A83 PolarHBondContact O-N 2.79Å; R80-T84 HydrophobicContact CG-CG2 4.37Å; R80-T84 WeakPolarHBondContact O-CG2 3.39Å; R80-T84 PolarHBondContact O-N 3.42Å; R80-F92 HydrophobicContact CG-CE1 4.07Å; R80-F92 HydrophobicContact CG-CZ 4.23Å; R80-C107 VanDerWaalsContact CA-SG 3.54Å; R80-D179 IonicContact CZ-OD1 2.73Å; R80-D179 IonicContact CZ-OD2 2.7Å; R80-D179 IonicContact NH1-OD1 2.81Å; R80-D179 IonicContact NH1-OD2 3.97Å; R80-D179 PolarHBondContact NH1-OD2 2.87Å; R80-D179 VanDerWaalsContact NH2-CG 3.34Å; R80-D179 IonicContact NH2-OD1 3.96Å; R80-D179 PolarHBondContact NH2-OD1 2.55Å; R80-D179 IonicContact NH2-OD2 3.5Å; R80-D179 PolarHBondContact NH2-OD2 3.12Å
81	R	89.5	Confident	87.4	Confident	82 Å²	82	64.1 Å²	64.1	31%	0.309	32%	0.318	S	S	.	.	H	α-helix	trans	-65.1	-33.5	178.4	-78	-178.9	-71.2	-93.5	-2.1	112.5	G77 Q78 D179	G77-R81 VanDerWaalsContact O-CZ 3.27Å; G77-R81 PolarHBondContact O-N 3.21Å; Q78-R81 WeakPolarHBondContact O-CB 3.35Å; Q78-R81 PolarHBondContact O-N 3.03Å; R81-D179 VanDerWaalsContact CD-OD1 3.31Å; R81-D179 WeakPolarHBondContact CD-OD1 3.38Å; R81-D179 IonicContact NH1-OD1 2.67Å; R81-D179 PolarHBondContact NH1-OD1 2.87Å; R81-D179 VanDerWaalsContact NH1-OD1 3.08Å
82	E	89	Confident	87.1	Confident	130 Å²	130	64.8 Å²	64.8	61%	0.607	32%	0.321	S	S	*	.	H	α-helix	trans	-74.8	-38.5	177.7	-68.8	168.1	-169.7	0	0	111.2	Q78 Y79 R80	Q78-E82 WeakPolarHBondContact CG-OE1 3.45Å; Q78-E82 PolarHBondContact NE2-OE1 2.88Å; Q78-E82 PolarHBondContact O-N 2.59Å; Y79-E82 PolarHBondContact O-N 2.95Å; R80-E82 VanDerWaalsContact C-N 3.27Å; R80-E82 PolarHBondContact O-N 3.34Å
83	A	85.9	Confident	86.8	Confident	71 Å²	71	60.5 Å²	60.5	59%	0.587	30%	0.302	S	S	*	.	H	α-helix	trans	-74.3	-27.6	179.6	0	0	0	0	0	114	Y79 R80	Y79-A83 VanDerWaalsContact O-CB 3.3Å; Y79-A83 WeakPolarHBondContact O-CB 3.42Å; Y79-A83 PolarHBondContact O-N 2.93Å; R80-A83 PolarHBondContact O-N 2.79Å
84	T	78.9	Confident	86.5	Confident	25 Å²	25	61.5 Å²	61.5	15%	0.153	30%	0.303	C	S	.	.			trans	-147.2	131.5	177.9	-176.9	0	0	0	0	112.4	R80 S86 F92 I103	R80-T84 HydrophobicContact CG-CG2 4.37Å; R80-T84 WeakPolarHBondContact O-CG2 3.39Å; R80-T84 PolarHBondContact O-N 3.42Å; T84-S86 VanDerWaalsContact C-N 3.3Å; T84-S86 WeakPolarHBondContact OG1-CB 3.5Å; T84-S86 PolarHBondContact OG1-N 2.99Å; T84-S86 PolarHBondContact OG1-OG 3.01Å; T84-F92 HydrophobicContact CG2-CE2 4.34Å; T84-F92 HydrophobicContact CG2-CZ 4.32Å; T84-I103 HydrophobicContact CG2-CG2 4.15Å
85	R	69.3	Low	86.1	Confident	246 Å²	246	63.9 Å²	63.9	93%	0.928	32%	0.319	S	S	*	.			trans	-84.6	-8.3	168.1	-64.2	-171.9	-179.3	-172.2	0.4	112.4	Y87	R85-Y87 PolarHBondContact O-N 2.96Å
86	S	62	Low	85.9	Confident	75 Å²	75	68.6 Å²	68.6	52%	0.524	34%	0.344	S	S	.	.			trans	-81	46	-174.1	-41.4	0	0	0	0	112.3	T84 N88	T84-S86 VanDerWaalsContact C-N 3.3Å; T84-S86 WeakPolarHBondContact OG1-CB 3.5Å; T84-S86 PolarHBondContact OG1-N 2.99Å; T84-S86 PolarHBondContact OG1-OG 3.01Å; S86-N88 PolarHBondContact O-N 3.46Å
87	Y	68.5	Low	85.7	Confident	47 Å²	47	70.3 Å²	70.3	18%	0.184	35%	0.353	C	S	.	.			trans	-79.8	102.1	164.8	-174.5	-82.1	0	0	0	107.9	R85 F93 D179 Y180 D191	R85-Y87 PolarHBondContact O-N 2.96Å; Y87-F93 HydrophobicContact CD2-CE2 4.16Å; Y87-F93 HydrophobicContact CD2-CZ 4.27Å; Y87-F93 AromaticContact CE2-CE2 3.38Å; Y87-F93 HydrophobicContact CE2-CE2 3.38Å; Y87-F93 AromaticContact CE2-CZ 3.7Å; Y87-F93 HydrophobicContact CE2-CZ 3.7Å; Y87-D179 HydrophobicContact CE1-CB 4.41Å; Y87-D179 HydrophobicContact CE2-CB 4.31Å; Y87-Y180 HydrophobicContact CE1-CE1 4.29Å; Y87-Y180 PolarHBondContact OH-OH 2.96Å; Y87-D191 PolarHBondContact OH-OD2 2.77Å
88	N	71.5	Confident	85.8	Confident	144 Å²	144	73.1 Å²	73.1	77%	0.77	37%	0.374	S	S	*	.			trans	-100.7	-34.5	179.4	-64.2	-5.9	0	0	0	112.1	S86	S86-N88 PolarHBondContact O-N 3.46Å
89	S	86.6	Confident	85.7	Confident	23 Å²	23	75.5 Å²	75.5	16%	0.161	39%	0.385	C	S	.	.	S	Bend	trans	-177	-175.4	-179.6	67.4	0	0	0	0	111.7	E91 F92 D191	S89-E91 PolarHBondContact O-N 2.94Å; S89-E91 WeakPolarHBondContact OG-CB 3.47Å; S89-E91 WeakPolarHBondContact OG-CG 3.4Å; S89-E91 PolarHBondContact OG-N 2.93Å; S89-F92 PolarHBondContact O-N 3.33Å; S89-D191 WeakPolarHBondContact CA-OD1 3.43Å; S89-D191 WeakPolarHBondContact CB-OD1 3.43Å
90	Y	89.9	Confident	85.5	Confident	57 Å²	57	74 Å²	74	22%	0.224	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-51.3	-21	169.2	77.6	-81.1	0	0	0	114.4	F92 F93 D191 K194	Y90-F92 PolarHBondContact O-N 3.41Å; Y90-F93 PolarHBondContact O-N 3.43Å; Y90-D191 WeakPolarHBondContact CD1-OD1 3.5Å; Y90-D191 PolarHBondContact N-OD1 3.01Å; Y90-K194 HydrophobicContact CD1-CB 3.93Å; Y90-K194 HydrophobicContact CD1-CD 3.78Å; Y90-K194 HydrophobicContact CD2-CB 3.61Å; Y90-K194 HydrophobicContact CD2-CD 4.45Å; Y90-K194 HydrophobicContact CE1-CB 4.36Å; Y90-K194 HydrophobicContact CE1-CD 3.54Å; Y90-K194 HydrophobicContact CE2-CB 4.04Å; Y90-K194 HydrophobicContact CE2-CD 4.21Å; Y90-K194 HydrophobicContact CG-CB 3.55Å; Y90-K194 HydrophobicContact CG-CD 4.26Å
91	E	91.5	Very high	85.4	Confident	93 Å²	93	76.4 Å²	76.4	44%	0.435	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-61.1	-27.2	-179.6	-64.3	-160	122.1	0	0	113.7	S89 F93 K94 N97	S89-E91 PolarHBondContact O-N 2.94Å; S89-E91 WeakPolarHBondContact OG-CB 3.47Å; S89-E91 WeakPolarHBondContact OG-CG 3.4Å; S89-E91 PolarHBondContact OG-N 2.93Å; E91-F93 PolarHBondContact O-N 3.42Å; E91-K94 HydrophobicContact CB-CD 4.36Å; E91-K94 HydrophobicContact CG-CD 4.41Å; E91-K94 PolarHBondContact O-N 3.32Å; E91-K94 IonicContact OE1-NZ 3.21Å; E91-K94 PolarHBondContact OE1-NZ 3.03Å; E91-N97 PolarHBondContact O-ND2 3.27Å
92	F	90.6	Very high	85.5	Confident	21 Å²	21	80.3 Å²	80.3	9%	0.092	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-61.5	-22	171.6	-177.2	-92.2	0	0	0	112.6	R80 T84 S89 Y90 A100 I103 R104	R80-F92 HydrophobicContact CG-CE1 4.07Å; R80-F92 HydrophobicContact CG-CZ 4.23Å; T84-F92 HydrophobicContact CG2-CE2 4.34Å; T84-F92 HydrophobicContact CG2-CZ 4.32Å; S89-F92 PolarHBondContact O-N 3.33Å; Y90-F92 PolarHBondContact O-N 3.41Å; F92-A100 HydrophobicContact CD1-CB 4.38Å; F92-A100 HydrophobicContact CD2-CB 3.55Å; F92-A100 HydrophobicContact CE1-CB 4.43Å; F92-A100 HydrophobicContact CE2-CB 3.6Å; F92-A100 HydrophobicContact CG-CB 3.96Å; F92-A100 HydrophobicContact CZ-CB 4.05Å; F92-A100 WeakPolarHBondContact O-CB 3.36Å; F92-I103 HydrophobicContact CE2-CD1 4.33Å; F92-I103 HydrophobicContact CZ-CB 4.4Å; F92-I103 HydrophobicContact CZ-CG2 4.16Å; F92-R104 HydrophobicContact CE1-CG 3.66Å; F92-R104 HydrophobicContact CZ-CG 4.02Å
93	F	91.8	Very high	85.7	Confident	6 Å²	6	76.4 Å²	76.4	3%	0.026	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-100.4	-2.6	-177.9	-56.5	-81.5	0	0	0	114.1	Y87 Y90 E91 R195 C198 Y199	Y87-F93 HydrophobicContact CD2-CE2 4.16Å; Y87-F93 HydrophobicContact CD2-CZ 4.27Å; Y87-F93 AromaticContact CE2-CE2 3.38Å; Y87-F93 HydrophobicContact CE2-CE2 3.38Å; Y87-F93 AromaticContact CE2-CZ 3.7Å; Y87-F93 HydrophobicContact CE2-CZ 3.7Å; Y90-F93 PolarHBondContact O-N 3.43Å; E91-F93 PolarHBondContact O-N 3.42Å; F93-R195 HydrophobicContact CB-CG 4.28Å; F93-R195 HydrophobicContact CD2-CB 4.48Å; F93-R195 HydrophobicContact CD2-CG 3.68Å; F93-R195 VanDerWaalsContact CE1-NH2 3.35Å; F93-R195 HydrophobicContact CE2-CG 4.19Å; F93-R195 HydrophobicContact CG-CG 3.9Å; F93-R195 VanDerWaalsContact CZ-NH2 3.25Å; F93-C198 HydrophobicContact CB-CB 4.22Å; F93-Y199 HydrophobicContact CB-CE2 4.09Å; F93-Y199 AromaticContact CD1-CE2 3.77Å; F93-Y199 HydrophobicContact CD1-CE2 3.77Å; F93-Y199 AromaticContact CD1-CZ 3.89Å; F93-Y199 VanDerWaalsContact CD1-OH 3.3Å; F93-Y199 WeakPolarHBondContact CD1-OH 3.34Å; F93-Y199 HydrophobicContact CG-CE2 4.11Å
94	K	91.9	Very high	85.9	Confident	60 Å²	60	74.6 Å²	74.6	26%	0.261	37%	0.372	S	S	.	.			trans	-59.7	137.9	176.7	-70.6	175.2	171.6	172.4	0	110.4	E91 D96 N97	E91-K94 HydrophobicContact CB-CD 4.36Å; E91-K94 HydrophobicContact CG-CD 4.41Å; E91-K94 PolarHBondContact O-N 3.32Å; E91-K94 IonicContact OE1-NZ 3.21Å; E91-K94 PolarHBondContact OE1-NZ 3.03Å; K94-D96 VanDerWaalsContact C-N 3.26Å; K94-D96 WeakPolarHBondContact CB-OD1 3.42Å; K94-D96 PolarHBondContact O-N 3.46Å; K94-N97 HydrophobicContact CB-CB 4.42Å; K94-N97 WeakPolarHBondContact O-CB 3.49Å; K94-N97 PolarHBondContact O-N 3.23Å
95	P	89.4	Confident	86.6	Confident	51 Å²	51	76.5 Å²	76.5	33%	0.331	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-24.2	-174.8	26.5	-34.1	0	0	0	113.6	M201 T202	P95-M201 HydrophobicContact CG-CE 4.25Å; P95-M201 HydrophobicContact CG-SD 4.3Å; P95-T202 HydrophobicContact CB-CG2 3.94Å; P95-T202 HydrophobicContact CG-CG2 4.48Å
96	D	91.6	Very high	87.8	Confident	132 Å²	132	67.2 Å²	67.2	71%	0.706	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-6	177.1	59.6	-11.2	0	0	0	113.6	K94 A98	K94-D96 VanDerWaalsContact C-N 3.26Å; K94-D96 WeakPolarHBondContact CB-OD1 3.42Å; K94-D96 PolarHBondContact O-N 3.46Å; D96-A98 PolarHBondContact O-N 2.94Å
97	N	92.2	Very high	89.4	Confident	51 Å²	51	63.8 Å²	63.8	27%	0.273	33%	0.334	S	S	.	.			trans	-78.5	86.4	175.6	-170.5	-23.7	0	0	0	111	E91 K94 E99 A100 M101	E91-N97 PolarHBondContact O-ND2 3.27Å; K94-N97 HydrophobicContact CB-CB 4.42Å; K94-N97 WeakPolarHBondContact O-CB 3.49Å; K94-N97 PolarHBondContact O-N 3.23Å; N97-E99 VanDerWaalsContact C-N 3.32Å; N97-E99 PolarHBondContact O-N 2.89Å; N97-E99 PolarHBondContact OD1-N 3.36Å; N97-A100 HydrophobicContact CB-CB 4.09Å; N97-A100 VanDerWaalsContact CG-CB 3.41Å; N97-A100 PolarHBondContact O-N 3Å; N97-A100 WeakPolarHBondContact OD1-CB 3.46Å; N97-A100 PolarHBondContact OD1-N 3.29Å; N97-M101 WeakPolarHBondContact O-CB 3.49Å; N97-M101 WeakPolarHBondContact O-CG 3.26Å; N97-M101 PolarHBondContact O-N 3.49Å
98	A	91.8	Very high	90.6	Very high	79 Å²	79	61.7 Å²	61.7	65%	0.653	33%	0.326	S	S	*	.	H	α-helix	trans	-59.2	-37.9	-176.3	0	0	0	0	0	113.7	D96 K102	D96-A98 PolarHBondContact O-N 2.94Å; A98-K102 PolarHBondContact O-N 3.32Å
99	E	90.9	Very high	91.8	Very high	147 Å²	147	59.4 Å²	59.4	69%	0.687	31%	0.313	S	S	*	.	H	α-helix	trans	-67.4	-49.3	178.7	-174.1	179.5	179.9	0	0	111.2	N97 M101 K102 I103	N97-E99 VanDerWaalsContact C-N 3.32Å; N97-E99 PolarHBondContact O-N 2.89Å; N97-E99 PolarHBondContact OD1-N 3.36Å; E99-M101 VanDerWaalsContact C-N 3.3Å; E99-M101 PolarHBondContact O-N 3.38Å; E99-K102 WeakPolarHBondContact O-CB 3.28Å; E99-K102 PolarHBondContact O-N 3.41Å; E99-K102 VanDerWaalsContact O-N 3.14Å; E99-I103 HydrophobicContact CG-CD1 4.41Å; E99-I103 WeakPolarHBondContact O-CG1 3.42Å; E99-I103 PolarHBondContact O-N 2.89Å
100	A	90.4	Very high	92.3	Very high	3 Å²	3	61.8 Å²	61.8	3%	0.025	33%	0.327	C	S	.	.	H	α-helix	trans	-64.9	-35.9	177.8	0	0	0	0	0	112.1	F92 N97 I103 R104	F92-A100 HydrophobicContact CD1-CB 4.38Å; F92-A100 HydrophobicContact CD2-CB 3.55Å; F92-A100 HydrophobicContact CE1-CB 4.43Å; F92-A100 HydrophobicContact CE2-CB 3.6Å; F92-A100 HydrophobicContact CG-CB 3.96Å; F92-A100 HydrophobicContact CZ-CB 4.05Å; F92-A100 WeakPolarHBondContact O-CB 3.36Å; N97-A100 HydrophobicContact CB-CB 4.09Å; N97-A100 VanDerWaalsContact CG-CB 3.41Å; N97-A100 PolarHBondContact O-N 3Å; N97-A100 WeakPolarHBondContact OD1-CB 3.46Å; N97-A100 PolarHBondContact OD1-N 3.29Å; A100-I103 PolarHBondContact O-N 3.44Å; A100-R104 WeakPolarHBondContact O-CB 3.48Å; A100-R104 VanDerWaalsContact O-CG 3.25Å; A100-R104 WeakPolarHBondContact O-CG 3.42Å; A100-R104 PolarHBondContact O-N 3.12Å
101	M	90.3	Very high	92.7	Very high	61 Å²	61	59.1 Å²	59.1	30%	0.3	32%	0.316	S	S	.	.	H	α-helix	trans	-61.7	-42.1	172.5	-79.2	-66.9	-79.3	0	0	112	N97 E99 R104 N105	N97-M101 WeakPolarHBondContact O-CB 3.49Å; N97-M101 WeakPolarHBondContact O-CG 3.26Å; N97-M101 PolarHBondContact O-N 3.49Å; E99-M101 VanDerWaalsContact C-N 3.3Å; E99-M101 PolarHBondContact O-N 3.38Å; M101-R104 PolarHBondContact O-N 2.87Å; M101-N105 WeakPolarHBondContact O-CB 3.43Å; M101-N105 VanDerWaalsContact O-CG 3.24Å; M101-N105 PolarHBondContact O-N 3.45Å; M101-N105 PolarHBondContact O-ND2 3.2Å
102	K	92.1	Very high	93	Very high	164 Å²	164	55 Å²	55	71%	0.713	30%	0.297	S	S	*	.	H	α-helix	trans	-61	-45.9	174.8	-172.5	180	179.1	-177.8	0	111.7	A98 E99 N105 A106	A98-K102 PolarHBondContact O-N 3.32Å; E99-K102 WeakPolarHBondContact O-CB 3.28Å; E99-K102 PolarHBondContact O-N 3.41Å; E99-K102 VanDerWaalsContact O-N 3.14Å; K102-N105 PolarHBondContact O-N 3.22Å; K102-A106 PolarHBondContact O-N 2.9Å
103	I	91.9	Very high	93.3	Very high	49 Å²	49	58.6 Å²	58.6	25%	0.251	31%	0.314	S	S	.	.	H	α-helix	trans	-61.6	-47.8	177	-65.3	167.8	0	0	0	110.7	T84 F92 E99 A100 N105 A106 C107	T84-I103 HydrophobicContact CG2-CG2 4.15Å; F92-I103 HydrophobicContact CE2-CD1 4.33Å; F92-I103 HydrophobicContact CZ-CB 4.4Å; F92-I103 HydrophobicContact CZ-CG2 4.16Å; E99-I103 HydrophobicContact CG-CD1 4.41Å; E99-I103 WeakPolarHBondContact O-CG1 3.42Å; E99-I103 PolarHBondContact O-N 2.89Å; A100-I103 PolarHBondContact O-N 3.44Å; I103-N105 VanDerWaalsContact C-N 3.31Å; I103-N105 PolarHBondContact O-N 2.97Å; I103-A106 WeakPolarHBondContact O-CB 3.32Å; I103-A106 PolarHBondContact O-N 3.22Å; I103-C107 PolarHBondContact O-N 3.01Å; I103-C107 PolarHBondContact O-SG 3.41Å
104	R	91.6	Very high	93.6	Very high	33 Å²	33	61.1 Å²	61.1	13%	0.125	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-37.3	178.9	-74.2	168.4	52.9	-172.6	-7.4	112.5	F92 A100 M101 V108 Y199	F92-R104 HydrophobicContact CE1-CG 3.66Å; F92-R104 HydrophobicContact CZ-CG 4.02Å; A100-R104 WeakPolarHBondContact O-CB 3.48Å; A100-R104 VanDerWaalsContact O-CG 3.25Å; A100-R104 WeakPolarHBondContact O-CG 3.42Å; A100-R104 PolarHBondContact O-N 3.12Å; M101-R104 PolarHBondContact O-N 2.87Å; R104-V108 VanDerWaalsContact O-CG2 3.23Å; R104-V108 WeakPolarHBondContact O-CG2 3.4Å; R104-V108 PolarHBondContact O-N 2.95Å; R104-Y199 PolarHBondContact NH2-OH 3.04Å
105	N	92.6	Very high	93.9	Very high	65 Å²	65	58.2 Å²	58.2	35%	0.348	32%	0.316	S	S	.	.	H	α-helix	trans	-68.3	-40.4	175	-74.1	-19	0	0	0	111.5	M101 K102 I103 C107 V108 N109 R138	M101-N105 WeakPolarHBondContact O-CB 3.43Å; M101-N105 VanDerWaalsContact O-CG 3.24Å; M101-N105 PolarHBondContact O-N 3.45Å; M101-N105 PolarHBondContact O-ND2 3.2Å; K102-N105 PolarHBondContact O-N 3.22Å; I103-N105 VanDerWaalsContact C-N 3.31Å; I103-N105 PolarHBondContact O-N 2.97Å; N105-C107 VanDerWaalsContact C-N 3.35Å; N105-C107 PolarHBondContact O-N 3.32Å; N105-V108 WeakPolarHBondContact O-CB 3.1Å; N105-V108 PolarHBondContact O-N 3.46Å; N105-N109 PolarHBondContact O-N 3.2Å; N105-R138 PolarHBondContact OD1-NH2 2.92Å
106	A	94.1	Very high	94.2	Very high	50 Å²	50	56.7 Å²	56.7	41%	0.413	31%	0.306	S	S	.	.	H	α-helix	trans	-60	-44.5	173.9	0	0	0	0	0	111.7	K102 I103 V108 N109 T110	K102-A106 PolarHBondContact O-N 2.9Å; I103-A106 WeakPolarHBondContact O-CB 3.32Å; I103-A106 PolarHBondContact O-N 3.22Å; A106-V108 VanDerWaalsContact C-N 3.28Å; A106-V108 PolarHBondContact O-N 3.49Å; A106-N109 PolarHBondContact O-N 3.41Å; A106-N109 VanDerWaalsContact O-N 3.14Å; A106-T110 PolarHBondContact O-N 3.4Å; A106-T110 PolarHBondContact O-OG1 3.28Å; A106-T110 VanDerWaalsContact O-OG1 3.13Å
107	C	95.4	Very high	94.5	Very high	4 Å²	4	52.1 Å²	52.1	3%	0.027	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-36.8	177.2	-61.2	0	0	0	0	112.9	V76 R80 I103 N105 A111	V76-C107 HydrophobicContact CG1-CB 4.31Å; R80-C107 VanDerWaalsContact CA-SG 3.54Å; I103-C107 PolarHBondContact O-N 3.01Å; I103-C107 PolarHBondContact O-SG 3.41Å; N105-C107 VanDerWaalsContact C-N 3.35Å; N105-C107 PolarHBondContact O-N 3.32Å; C107-A111 WeakPolarHBondContact O-CB 3.42Å; C107-A111 PolarHBondContact O-N 3.35Å
108	V	95.6	Very high	94.8	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-65.8	-44.7	176.1	166.9	0	0	0	0	110.5	V76 R104 N105 A106 A111 L112 F129	V76-V108 HydrophobicContact CG1-CG2 3.83Å; R104-V108 VanDerWaalsContact O-CG2 3.23Å; R104-V108 WeakPolarHBondContact O-CG2 3.4Å; R104-V108 PolarHBondContact O-N 2.95Å; N105-V108 WeakPolarHBondContact O-CB 3.1Å; N105-V108 PolarHBondContact O-N 3.46Å; A106-V108 VanDerWaalsContact C-N 3.28Å; A106-V108 PolarHBondContact O-N 3.49Å; V108-A111 PolarHBondContact O-N 3Å; V108-L112 HydrophobicContact CG1-CD1 4.1Å; V108-L112 WeakPolarHBondContact O-CG 3.38Å; V108-L112 PolarHBondContact O-N 3.39Å; V108-F129 HydrophobicContact CG1-CE1 4.49Å; V108-F129 HydrophobicContact CG1-CZ 4.04Å
109	N	95.5	Very high	94.9	Very high	96 Å²	96	47.3 Å²	47.3	51%	0.513	24%	0.243	S	C	.	.	H	α-helix	trans	-64.3	-42.5	178.6	-67.6	-14	0	0	0	111.6	N105 A106 L112 Q113	N105-N109 PolarHBondContact O-N 3.2Å; A106-N109 PolarHBondContact O-N 3.41Å; A106-N109 VanDerWaalsContact O-N 3.14Å; N109-L112 PolarHBondContact O-N 3.49Å; N109-Q113 PolarHBondContact O-N 3.49Å
110	T	97.1	Very high	94.8	Very high	73 Å²	73	44 Å²	44	45%	0.448	23%	0.233	S	C	.	.	H	α-helix	trans	-60.1	-46.9	173.7	-54.4	0	0	0	0	111.2	Y79 A106 L112 Q113 D114	Y79-T110 HydrophobicContact CD1-CG2 3.92Å; Y79-T110 HydrophobicContact CE1-CG2 4.02Å; A106-T110 PolarHBondContact O-N 3.4Å; A106-T110 PolarHBondContact O-OG1 3.28Å; A106-T110 VanDerWaalsContact O-OG1 3.13Å; T110-L112 VanDerWaalsContact C-N 3.33Å; T110-L112 PolarHBondContact O-N 2.68Å; T110-Q113 WeakPolarHBondContact O-CB 3.47Å; T110-Q113 PolarHBondContact O-N 2.93Å; T110-D114 PolarHBondContact O-N 3.28Å
111	A	97.8	Very high	94.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-35.9	178.3	0	0	0	0	0	112.9	V76 Y79 C107 V108 D114 V115 F129	V76-A111 HydrophobicContact CG2-CB 4.26Å; Y79-A111 HydrophobicContact CD1-CB 4.24Å; Y79-A111 HydrophobicContact CD2-CB 3.76Å; Y79-A111 HydrophobicContact CE1-CB 4.16Å; Y79-A111 HydrophobicContact CE2-CB 3.68Å; Y79-A111 HydrophobicContact CG-CB 4.06Å; C107-A111 WeakPolarHBondContact O-CB 3.42Å; C107-A111 PolarHBondContact O-N 3.35Å; V108-A111 PolarHBondContact O-N 3Å; A111-D114 PolarHBondContact O-N 2.94Å; A111-V115 WeakPolarHBondContact O-CG2 3.34Å; A111-V115 PolarHBondContact O-N 2.89Å; A111-F129 HydrophobicContact CB-CE2 3.67Å; A111-F129 HydrophobicContact CB-CZ 4.29Å
112	L	97.8	Very high	94.8	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-69.1	-35.4	174.3	-72.4	174.9	0	0	0	112	V108 N109 T110 D114 V115 C116 F129 F145	V108-L112 HydrophobicContact CG1-CD1 4.1Å; V108-L112 WeakPolarHBondContact O-CG 3.38Å; V108-L112 PolarHBondContact O-N 3.39Å; N109-L112 PolarHBondContact O-N 3.49Å; T110-L112 VanDerWaalsContact C-N 3.33Å; T110-L112 PolarHBondContact O-N 2.68Å; L112-D114 VanDerWaalsContact C-N 3.35Å; L112-V115 WeakPolarHBondContact O-CB 3.27Å; L112-V115 PolarHBondContact O-N 3.14Å; L112-C116 PolarHBondContact O-N 3.33Å; L112-F129 HydrophobicContact CD2-CD2 4.06Å; L112-F129 HydrophobicContact CD2-CE2 3.73Å; L112-F129 HydrophobicContact CD2-CZ 4.02Å; L112-F129 HydrophobicContact CG-CE2 3.95Å; L112-F129 HydrophobicContact CG-CZ 4.05Å; L112-F145 HydrophobicContact CB-CD2 4.24Å; L112-F145 HydrophobicContact CB-CE1 4.43Å; L112-F145 HydrophobicContact CB-CE2 4Å; L112-F145 HydrophobicContact CB-CZ 4.1Å; L112-F145 HydrophobicContact CD1-CG 4.33Å; L112-F145 HydrophobicContact CD2-CD1 3.84Å; L112-F145 HydrophobicContact CD2-CE1 3.96Å; L112-F145 HydrophobicContact CD2-CG 4.27Å; L112-F145 HydrophobicContact CD2-CZ 4.48Å; L112-F145 WeakPolarHBondContact O-CZ 3.33Å
113	Q	97.1	Very high	94.6	Very high	97 Å²	97	53.7 Å²	53.7	45%	0.453	28%	0.276	S	S	.	.	H	α-helix	trans	-62.3	-44.3	173.2	-175.3	56.7	53.4	0	0	111.2	N109 T110 V115 C116 D117	N109-Q113 PolarHBondContact O-N 3.49Å; T110-Q113 WeakPolarHBondContact O-CB 3.47Å; T110-Q113 PolarHBondContact O-N 2.93Å; Q113-V115 VanDerWaalsContact C-N 3.29Å; Q113-V115 PolarHBondContact O-N 2.93Å; Q113-C116 WeakPolarHBondContact O-CB 3.47Å; Q113-C116 PolarHBondContact O-N 3.35Å; Q113-C116 VanDerWaalsContact O-N 3.07Å; Q113-D117 PolarHBondContact NE2-OD1 3.02Å; Q113-D117 PolarHBondContact O-N 2.74Å
114	D	98.1	Very high	94.6	Very high	59 Å²	59	51.6 Å²	51.6	32%	0.316	27%	0.266	S	S	.	.	H	α-helix	trans	-65.9	-32.1	176.5	-69	-0	0	0	0	112.4	F74 Y79 T110 A111 L112 C116 Y118	F74-D114 HydrophobicContact CD1-CB 4.02Å; F74-D114 HydrophobicContact CE1-CB 3.75Å; F74-D114 WeakPolarHBondContact CE1-O 3.43Å; Y79-D114 WeakPolarHBondContact CE1-OD2 3.45Å; Y79-D114 VanDerWaalsContact CZ-OD2 3.27Å; Y79-D114 WeakPolarHBondContact OH-CB 3.37Å; Y79-D114 PolarHBondContact OH-OD2 2.7Å; T110-D114 PolarHBondContact O-N 3.28Å; A111-D114 PolarHBondContact O-N 2.94Å; L112-D114 VanDerWaalsContact C-N 3.35Å; D114-C116 VanDerWaalsContact C-N 3.35Å; D114-Y118 VanDerWaalsContact O-CB 3.3Å; D114-Y118 WeakPolarHBondContact O-CB 2.95Å; D114-Y118 PolarHBondContact O-N 3.13Å
115	V	98.2	Very high	94.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.8	-45.7	169.7	164.6	0	0	0	0	110.5	L42 F74 A111 L112 Q113 Y118 L119 A127 F129 F145	L42-V115 HydrophobicContact CD1-CG1 3.93Å; L42-V115 HydrophobicContact CD1-CG2 4.42Å; F74-V115 HydrophobicContact CB-CG2 4.15Å; F74-V115 HydrophobicContact CD1-CG2 3.8Å; F74-V115 HydrophobicContact CD2-CG2 3.53Å; F74-V115 HydrophobicContact CE1-CG2 4.05Å; F74-V115 HydrophobicContact CE2-CG2 3.8Å; F74-V115 HydrophobicContact CG-CG2 3.53Å; F74-V115 HydrophobicContact CZ-CG2 4.05Å; A111-V115 WeakPolarHBondContact O-CG2 3.34Å; A111-V115 PolarHBondContact O-N 2.89Å; L112-V115 WeakPolarHBondContact O-CB 3.27Å; L112-V115 PolarHBondContact O-N 3.14Å; Q113-V115 VanDerWaalsContact C-N 3.29Å; Q113-V115 PolarHBondContact O-N 2.93Å; V115-Y118 PolarHBondContact O-N 2.71Å; V115-L119 HydrophobicContact CG1-CD1 3.85Å; V115-L119 HydrophobicContact CG1-CG 4.31Å; V115-L119 WeakPolarHBondContact O-CB 3.34Å; V115-L119 WeakPolarHBondContact O-CG 3.44Å; V115-L119 PolarHBondContact O-N 3.21Å; V115-A127 HydrophobicContact CB-CB 4.47Å; V115-A127 HydrophobicContact CG1-CB 3.77Å; V115-A127 HydrophobicContact CG2-CB 4.1Å; V115-F129 HydrophobicContact CG2-CD2 4.22Å; V115-F145 HydrophobicContact CG1-CE1 4.04Å; V115-F145 HydrophobicContact CG1-CZ 4.4Å
116	C	96.8	Very high	95	Very high	18 Å²	18	49.2 Å²	49.2	12%	0.122	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-49	178.2	-175.4	0	0	0	0	111	L112 Q113 D114 Y118 L119 T120 F145 Y151	L112-C116 PolarHBondContact O-N 3.33Å; Q113-C116 WeakPolarHBondContact O-CB 3.47Å; Q113-C116 PolarHBondContact O-N 3.35Å; Q113-C116 VanDerWaalsContact O-N 3.07Å; D114-C116 VanDerWaalsContact C-N 3.35Å; C116-Y118 VanDerWaalsContact C-N 3.32Å; C116-Y118 PolarHBondContact O-N 3.32Å; C116-L119 PolarHBondContact O-N 2.78Å; C116-T120 WeakPolarHBondContact O-CB 3.4Å; C116-T120 WeakPolarHBondContact O-CG2 3.43Å; C116-T120 PolarHBondContact O-N 3.21Å; C116-T120 PolarHBondContact O-OG1 3.03Å; C116-F145 HydrophobicContact CB-CE2 4.38Å; C116-F145 HydrophobicContact CB-CZ 3.98Å; C116-Y151 WeakPolarHBondContact CA-OH 3.25Å
117	D	97.2	Very high	95.3	Very high	36 Å²	36	46.8 Å²	46.8	19%	0.193	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-43.1	179.3	-72.9	-21.7	0	0	0	111.2	Q113 R121 D122	Q113-D117 PolarHBondContact NE2-OD1 3.02Å; Q113-D117 PolarHBondContact O-N 2.74Å; D117-R121 WeakPolarHBondContact O-CA 3.4Å; D117-R121 WeakPolarHBondContact O-CB 3.3Å; D117-R121 PolarHBondContact O-N 2.96Å; D117-R121 IonicContact OD1-CZ 3.58Å; D117-R121 IonicContact OD1-NE 2.9Å; D117-R121 PolarHBondContact OD1-NE 3.31Å; D117-R121 IonicContact OD1-NH1 3.11Å; D117-R121 PolarHBondContact OD1-NH1 3.03Å; D117-R121 IonicContact OD1-NH2 3.35Å; D117-R121 PolarHBondContact OD1-NH2 3.3Å; D117-R121 IonicContact OD2-NH1 3.46Å; D117-D122 PolarHBondContact O-N 3.41Å
118	Y	97.6	Very high	95.4	Very high	18 Å²	18	46.6 Å²	46.6	7%	0.071	23%	0.233	C	C	.	.	H	α-helix	trans	-64.6	-46.9	177.4	174.4	-112.4	0	0	0	113.4	S70 T71 K72 F74 D114 V115 C116 T120 D122 Q123 G124 V126 A127	S70-Y118 PolarHBondContact O-OH 3.31Å; S70-Y118 PolarHBondContact OG-OH 3.32Å; T71-Y118 VanDerWaalsContact C-OH 3.27Å; T71-Y118 WeakPolarHBondContact CA-OH 3.2Å; T71-Y118 PolarHBondContact N-OH 3Å; T71-Y118 VanDerWaalsContact N-OH 3.1Å; K72-Y118 HydrophobicContact CB-CD1 4.07Å; K72-Y118 HydrophobicContact CB-CD2 4.36Å; K72-Y118 HydrophobicContact CB-CE1 3.59Å; K72-Y118 HydrophobicContact CB-CE2 3.93Å; K72-Y118 HydrophobicContact CB-CG 4.43Å; K72-Y118 HydrophobicContact CD-CD2 3.94Å; K72-Y118 HydrophobicContact CD-CE2 4.11Å; K72-Y118 HydrophobicContact CD-CG 4.25Å; K72-Y118 PolarHBondContact N-OH 2.88Å; F74-Y118 AromaticContact CE2-CD1 3.92Å; F74-Y118 HydrophobicContact CE2-CD1 3.92Å; F74-Y118 HydrophobicContact CE2-CG 4.41Å; F74-Y118 AromaticContact CZ-CD1 3.82Å; F74-Y118 HydrophobicContact CZ-CD1 3.82Å; F74-Y118 AromaticContact CZ-CG 3.85Å; F74-Y118 HydrophobicContact CZ-CG 3.85Å; D114-Y118 VanDerWaalsContact O-CB 3.3Å; D114-Y118 WeakPolarHBondContact O-CB 2.95Å; D114-Y118 PolarHBondContact O-N 3.13Å; V115-Y118 PolarHBondContact O-N 2.71Å; C116-Y118 VanDerWaalsContact C-N 3.32Å; C116-Y118 PolarHBondContact O-N 3.32Å; Y118-T120 VanDerWaalsContact C-N 3.33Å; Y118-T120 PolarHBondContact O-N 3.4Å; Y118-D122 HydrophobicContact CD2-CB 3.88Å; Y118-D122 HydrophobicContact CE2-CB 4.46Å; Y118-D122 CarbonylContact O-C 3.58Å; Y118-D122 WeakPolarHBondContact O-CB 3.4Å; Y118-D122 PolarHBondContact O-N 3.05Å; Y118-Q123 PolarHBondContact O-N 3.25Å; Y118-G124 VanDerWaalsContact CZ-CA 3.47Å; Y118-G124 PolarHBondContact O-N 3.46Å; Y118-V126 WeakPolarHBondContact CE1-O 3.33Å; Y118-A127 HydrophobicContact CD1-CB 4.49Å
119	L	93.8	Very high	95.6	Very high	11 Å²	11	46.5 Å²	46.5	6%	0.058	23%	0.232	C	C	.	.	H	α-helix	trans	-74.4	-22.5	-177.2	-65	-177.4	0	0	0	113.1	P40 V115 C116 G124 A127 Y151	P40-L119 HydrophobicContact CB-CB 4.17Å; P40-L119 HydrophobicContact CB-CD1 3.93Å; P40-L119 HydrophobicContact CB-CD2 4.07Å; P40-L119 HydrophobicContact CB-CG 4.27Å; V115-L119 HydrophobicContact CG1-CD1 3.85Å; V115-L119 HydrophobicContact CG1-CG 4.31Å; V115-L119 WeakPolarHBondContact O-CB 3.34Å; V115-L119 WeakPolarHBondContact O-CG 3.44Å; V115-L119 PolarHBondContact O-N 3.21Å; C116-L119 PolarHBondContact O-N 2.78Å; L119-G124 WeakPolarHBondContact CD2-O 3.48Å; L119-A127 HydrophobicContact CD1-CB 4.05Å; L119-A127 HydrophobicContact CD2-CB 4.04Å; L119-A127 HydrophobicContact CG-CB 4.16Å; L119-Y151 HydrophobicContact CB-CE1 4.05Å; L119-Y151 HydrophobicContact CD1-CD1 4.08Å; L119-Y151 HydrophobicContact CD1-CD2 3.91Å; L119-Y151 HydrophobicContact CD1-CE1 4.04Å; L119-Y151 HydrophobicContact CD1-CE2 3.85Å; L119-Y151 HydrophobicContact CD1-CG 4.04Å
120	T	90.3	Very high	95.7	Very high	78 Å²	78	42.1 Å²	42.1	48%	0.479	21%	0.209	S	C	.	.	H	α-helix	trans	-105.7	-42	-176.3	62.2	0	0	0	0	113.6	C116 Y118 Y151	C116-T120 WeakPolarHBondContact O-CB 3.4Å; C116-T120 WeakPolarHBondContact O-CG2 3.43Å; C116-T120 PolarHBondContact O-N 3.21Å; C116-T120 PolarHBondContact O-OG1 3.03Å; Y118-T120 VanDerWaalsContact C-N 3.33Å; Y118-T120 PolarHBondContact O-N 3.4Å; T120-Y151 HydrophobicContact CG2-CE1 4.48Å; T120-Y151 VanDerWaalsContact CG2-OH 3.25Å; T120-Y151 WeakPolarHBondContact CG2-OH 3.28Å
121	R	90.4	Very high	95.6	Very high	175 Å²	175	39.2 Å²	39.2	66%	0.66	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-44.8	-175.2	-54.9	-178.2	180	163.6	6	111.9	D117 Q123	D117-R121 WeakPolarHBondContact O-CA 3.4Å; D117-R121 WeakPolarHBondContact O-CB 3.3Å; D117-R121 PolarHBondContact O-N 2.96Å; D117-R121 IonicContact OD1-CZ 3.58Å; D117-R121 IonicContact OD1-NE 2.9Å; D117-R121 PolarHBondContact OD1-NE 3.31Å; D117-R121 IonicContact OD1-NH1 3.11Å; D117-R121 PolarHBondContact OD1-NH1 3.03Å; D117-R121 IonicContact OD1-NH2 3.35Å; D117-R121 PolarHBondContact OD1-NH2 3.3Å; D117-R121 IonicContact OD2-NH1 3.46Å; R121-Q123 PolarHBondContact O-N 3.08Å
122	D	90.2	Very high	95.5	Very high	102 Å²	102	40.2 Å²	40.2	55%	0.545	20%	0.198	S	C	.	.	S	Bend	trans	-85.2	1.8	-176.9	-56.1	-16.8	0	0	0	113	D117 Y118 G124	D117-D122 PolarHBondContact O-N 3.41Å; Y118-D122 HydrophobicContact CD2-CB 3.88Å; Y118-D122 HydrophobicContact CE2-CB 4.46Å; Y118-D122 CarbonylContact O-C 3.58Å; Y118-D122 WeakPolarHBondContact O-CB 3.4Å; Y118-D122 PolarHBondContact O-N 3.05Å; D122-G124 PolarHBondContact O-N 3.2Å
123	Q	87.3	Confident	95.5	Very high	155 Å²	155	40 Å²	40	72%	0.724	20%	0.197	S	C	*	.			trans	57.9	31.4	-177.8	-53.1	-174.1	-18.9	0	0	113.3	Y118 R121	Y118-Q123 PolarHBondContact O-N 3.25Å; R121-Q123 PolarHBondContact O-N 3.08Å
124	G	92.9	Very high	95.5	Very high	4 Å²	4	35.6 Å²	35.6	4%	0.041	18%	0.177	C	C	.	.			trans	-61.6	144.8	169.9	0	0	0	0	0	112	Y118 L119 D122	Y118-G124 VanDerWaalsContact CZ-CA 3.47Å; Y118-G124 PolarHBondContact O-N 3.46Å; L119-G124 WeakPolarHBondContact CD2-O 3.48Å; D122-G124 PolarHBondContact O-N 3.2Å
125	Q	95	Very high	95.4	Very high	48 Å²	48	34.3 Å²	34.3	22%	0.224	17%	0.172	C	C	.	.	S	Bend	trans	-102.9	-35.8	-179.9	-65.9	174.7	-87.7	0	0	112	T37 P40 T41 V69 S70	T37-Q125 HydrophobicContact CG2-CB 4.36Å; T37-Q125 PolarHBondContact OG1-NE2 3.26Å; P40-Q125 CarbonylContact C-O 3.6Å; P40-Q125 VanDerWaalsContact CA-O 3.28Å; P40-Q125 WeakPolarHBondContact CA-O 3.34Å; T41-Q125 PolarHBondContact N-O 3.41Å; V69-Q125 HydrophobicContact CG1-CB 3.99Å; S70-Q125 PolarHBondContact O-N 3.16Å
126	V	97.9	Very high	95.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	127.2	-178.5	-178.2	0	0	0	0	111.1	T41 I43 L64 V69 S70 T71 K72 Y118 I235	T41-V126 CarbonylContact O-C 3.25Å; T41-V126 VanDerWaalsContact O-CA 3.28Å; T41-V126 WeakPolarHBondContact O-CA 3.3Å; I43-V126 HydrophobicContact CD1-CG1 3.61Å; I43-V126 HydrophobicContact CG1-CG1 3.82Å; L64-V126 HydrophobicContact CD1-CB 4.44Å; L64-V126 HydrophobicContact CD1-CG1 4.1Å; V69-V126 HydrophobicContact CG1-CG2 3.76Å; S70-V126 PolarHBondContact O-N 3.08Å; T71-V126 VanDerWaalsContact CA-O 3.24Å; T71-V126 WeakPolarHBondContact CA-O 3.1Å; T71-V126 HydrophobicContact CG2-CB 3.94Å; T71-V126 HydrophobicContact CG2-CG1 3.97Å; K72-V126 PolarHBondContact N-O 3.26Å; K72-V126 VanDerWaalsContact N-O 3.14Å; Y118-V126 WeakPolarHBondContact CE1-O 3.33Å; V126-I235 HydrophobicContact CG2-CG1 4.26Å
127	A	98.5	Very high	95.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.6	171.2	0	0	0	0	0	109.8	T41 L42 I43 F74 V115 Y118 L119	T41-A127 PolarHBondContact O-N 3.22Å; L42-A127 CarbonylContact C-O 3.55Å; L42-A127 WeakPolarHBondContact CA-O 3.45Å; L42-A127 HydrophobicContact CD1-CB 3.88Å; I43-A127 PolarHBondContact N-O 3.24Å; F74-A127 HydrophobicContact CD2-CB 4.05Å; F74-A127 HydrophobicContact CE2-CB 3.7Å; V115-A127 HydrophobicContact CB-CB 4.47Å; V115-A127 HydrophobicContact CG1-CB 3.77Å; V115-A127 HydrophobicContact CG2-CB 4.1Å; Y118-A127 HydrophobicContact CD1-CB 4.49Å; L119-A127 HydrophobicContact CD1-CB 4.05Å; L119-A127 HydrophobicContact CD2-CB 4.04Å; L119-A127 HydrophobicContact CG-CB 4.16Å
128	V	98.7	Very high	95.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	106.4	175	-174.8	0	0	0	0	109.5	I43 M45 T61 T71 K72 V73 F74 D130	I43-V128 HydrophobicContact CB-CG1 4.48Å; I43-V128 HydrophobicContact CB-CG2 4.23Å; I43-V128 HydrophobicContact CD1-CG2 4.2Å; I43-V128 HydrophobicContact CG2-CG1 4.36Å; I43-V128 CarbonylContact O-C 3.6Å; M45-V128 HydrophobicContact CG-CG1 4.17Å; M45-V128 HydrophobicContact SD-CG1 4.08Å; T61-V128 WeakPolarHBondContact OG1-CG2 3.5Å; T71-V128 HydrophobicContact CG2-CG2 3.95Å; K72-V128 PolarHBondContact O-N 2.91Å; V73-V128 CarbonylContact C-O 3.53Å; V73-V128 WeakPolarHBondContact CA-O 3.2Å; V73-V128 HydrophobicContact CG2-CB 4.25Å; F74-V128 PolarHBondContact N-O 3.12Å; V128-D130 PolarHBondContact O-N 3.29Å
129	F	98.6	Very high	95.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	93.9	179.6	-162.4	-105.7	0	0	0	110.7	L42 I43 M45 F74 V76 V108 A111 L112 V115 A131 I142	L42-F129 HydrophobicContact CD1-CB 3.95Å; I43-F129 PolarHBondContact O-N 3.41Å; M45-F129 PolarHBondContact N-O 3.11Å; F74-F129 HydrophobicContact CB-CD2 4.26Å; V76-F129 HydrophobicContact CG2-CE1 3.89Å; V76-F129 HydrophobicContact CG2-CE2 3.92Å; V76-F129 HydrophobicContact CG2-CZ 3.49Å; V76-F129 VanDerWaalsContact CG2-CZ 3.49Å; V108-F129 HydrophobicContact CG1-CE1 4.49Å; V108-F129 HydrophobicContact CG1-CZ 4.04Å; A111-F129 HydrophobicContact CB-CE2 3.67Å; A111-F129 HydrophobicContact CB-CZ 4.29Å; L112-F129 HydrophobicContact CD2-CD2 4.06Å; L112-F129 HydrophobicContact CD2-CE2 3.73Å; L112-F129 HydrophobicContact CD2-CZ 4.02Å; L112-F129 HydrophobicContact CG-CE2 3.95Å; L112-F129 HydrophobicContact CG-CZ 4.05Å; V115-F129 HydrophobicContact CG2-CD2 4.22Å; F129-A131 HydrophobicContact CD1-CB 4.42Å; F129-A131 HydrophobicContact CE1-CB 4.16Å; F129-A131 PolarHBondContact O-N 2.94Å; F129-I142 HydrophobicContact CD1-CD1 3.96Å; F129-I142 HydrophobicContact CE1-CD1 3.85Å
130	D	97.8	Very high	95.3	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	95.5	-177	-178.4	19.6	0	0	0	111.1	M45 T54 V73 F74 N75 V76 V128	M45-D130 HydrophobicContact CG-CB 4.28Å; T54-D130 VanDerWaalsContact CA-OD2 3.28Å; T54-D130 WeakPolarHBondContact CA-OD2 3.36Å; T54-D130 VanDerWaalsContact CB-OD2 3.27Å; T54-D130 WeakPolarHBondContact CB-OD2 3.35Å; T54-D130 WeakPolarHBondContact CG2-OD2 3.48Å; T54-D130 PolarHBondContact OG1-OD2 2.81Å; V73-D130 HydrophobicContact CG1-CB 4.01Å; F74-D130 PolarHBondContact O-N 2.77Å; N75-D130 HydrophobicContact CB-CB 4.48Å; N75-D130 PolarHBondContact ND2-OD2 3.19Å; V76-D130 PolarHBondContact N-O 3.2Å; V128-D130 PolarHBondContact O-N 3.29Å
131	A	96	Very high	95.6	Very high	12 Å²	12	45.6 Å²	45.6	10%	0.099	22%	0.224	C	C	.	.	S	Bend	trans	-144.6	177.5	173.3	0	0	0	0	0	110.3	K53 V76 F129	K53-A131 WeakPolarHBondContact CD-O 3.37Å; K53-A131 WeakPolarHBondContact CE-O 3.29Å; V76-A131 HydrophobicContact CB-CB 3.92Å; V76-A131 HydrophobicContact CG2-CB 3.6Å; F129-A131 HydrophobicContact CD1-CB 4.42Å; F129-A131 HydrophobicContact CE1-CB 4.16Å; F129-A131 PolarHBondContact O-N 2.94Å
132	T	95.9	Very high	96	Very high	21 Å²	21	37.3 Å²	37.3	13%	0.129	19%	0.192	C	C	.	.			trans	-71.8	-42.3	176.1	55.2	0	0	0	0	112.5	V46 G47 P49 T134 Y199	V46-T132 CarbonylContact C-O 3.57Å; V46-T132 WeakPolarHBondContact CA-O 3.42Å; G47-T132 PolarHBondContact N-O 3.28Å; G47-T132 WeakPolarHBondContact O-CA 3.46Å; P49-T132 HydrophobicContact CG-CG2 4.33Å; T132-T134 WeakPolarHBondContact O-CG2 3.43Å; T132-T134 PolarHBondContact O-N 2.99Å; T132-Y199 HydrophobicContact CG2-CD1 4.09Å; T132-Y199 HydrophobicContact CG2-CE1 3.75Å; T132-Y199 HydrophobicContact CG2-CE2 4.47Å; T132-Y199 VanDerWaalsContact OG1-CE1 3.24Å; T132-Y199 WeakPolarHBondContact OG1-CE1 3.43Å
133	N	97.5	Very high	96.4	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.178	C	C	.	.			trans	44.6	37.8	178.5	-56	-41.8	0	0	0	113.9	V44 M45 V46 T135 R138 R139	V44-N133 HydrophobicContact CG1-CB 4.28Å; V44-N133 WeakPolarHBondContact CG1-ND2 3.4Å; M45-N133 WeakPolarHBondContact O-CB 3.15Å; M45-N133 PolarHBondContact O-ND2 3.11Å; V46-N133 HydrophobicContact CG2-CB 4.23Å; N133-T135 VanDerWaalsContact C-N 3.33Å; N133-T135 PolarHBondContact O-N 3.28Å; N133-R138 HydrophobicContact CB-CG 4.43Å; N133-R138 WeakPolarHBondContact OD1-CG 3.39Å; N133-R139 HydrophobicContact CB-CG 4.47Å; N133-R139 WeakPolarHBondContact O-CG 3.46Å; N133-R139 PolarHBondContact O-NH1 3.07Å
134	T	96.6	Very high	96.9	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.031	16%	0.162	C	C	.	.			trans	-78.4	-11.2	-169.7	42.6	0	0	0	0	114.1	L48 T132 R139 Y203 V204	L48-T134 HydrophobicContact CD2-CG2 4.29Å; T132-T134 WeakPolarHBondContact O-CG2 3.43Å; T132-T134 PolarHBondContact O-N 2.99Å; T134-R139 PolarHBondContact O-NH1 2.81Å; T134-Y203 HydrophobicContact CG2-CD2 3.57Å; T134-Y203 HydrophobicContact CG2-CE2 4.07Å; T134-Y203 HydrophobicContact CG2-CG 4.11Å; T134-Y203 WeakPolarHBondContact O-CD2 3.47Å; T134-V204 PolarHBondContact O-N 3.32Å; T134-V204 VanDerWaalsContact O-O 3.14Å
135	T	96.3	Very high	97.1	Very high	33 Å²	33	31.8 Å²	31.8	20%	0.202	17%	0.165	C	C	.	.	S	Bend	trans	-110.4	148.3	-178.7	88.3	0	0	0	0	111.5	N133 E137 R138 R139	N133-T135 VanDerWaalsContact C-N 3.33Å; N133-T135 PolarHBondContact O-N 3.28Å; T135-E137 VanDerWaalsContact C-N 3.32Å; T135-E137 WeakPolarHBondContact CB-OE2 3.24Å; T135-E137 PolarHBondContact O-N 3.34Å; T135-E137 PolarHBondContact OG1-OE2 3.32Å; T135-R138 PolarHBondContact O-N 3.47Å; T135-R138 PolarHBondContact OG1-N 3.4Å; T135-R139 PolarHBondContact O-N 2.92Å
136	P	96.3	Very high	97.2	Very high	50 Å²	50	29.5 Å²	29.5	33%	0.325	16%	0.155	S	C	.	.	H	α-helix	trans	-61.1	-39.5	178.5	-22.5	35.8	0	0	0	112.6	R138 R139 E140 V204	P136-R138 VanDerWaalsContact C-N 3.3Å; P136-R138 PolarHBondContact O-N 3.02Å; P136-R139 PolarHBondContact O-N 3.5Å; P136-E140 PolarHBondContact O-N 3.35Å; P136-V204 HydrophobicContact CG-CB 3.89Å; P136-V204 HydrophobicContact CG-CG1 3.99Å; P136-V204 HydrophobicContact CG-CG2 4.17Å
137	E	95.4	Very high	97.1	Very high	119 Å²	119	37.8 Å²	37.8	56%	0.556	19%	0.191	S	C	*	.	H	α-helix	trans	-62	-40.8	-178.3	-51.2	71.9	-153.8	0	0	110.6	T135 E140 V141	T135-E137 VanDerWaalsContact C-N 3.32Å; T135-E137 WeakPolarHBondContact CB-OE2 3.24Å; T135-E137 PolarHBondContact O-N 3.34Å; T135-E137 PolarHBondContact OG1-OE2 3.32Å; E137-E140 PolarHBondContact O-N 2.82Å; E137-V141 WeakPolarHBondContact O-CG2 3.48Å; E137-V141 PolarHBondContact O-N 3.34Å; E137-V141 VanDerWaalsContact O-N 3.12Å
138	R	95.4	Very high	97	Very high	34 Å²	34	45.3 Å²	45.3	13%	0.128	23%	0.226	C	C	.	.	H	α-helix	trans	-64.3	-41.7	175.2	178	59.5	67	78.6	-3.7	111.6	N105 N133 T135 P136 E140 V141 I142	N105-R138 PolarHBondContact OD1-NH2 2.92Å; N133-R138 HydrophobicContact CB-CG 4.43Å; N133-R138 WeakPolarHBondContact OD1-CG 3.39Å; T135-R138 PolarHBondContact O-N 3.47Å; T135-R138 PolarHBondContact OG1-N 3.4Å; P136-R138 VanDerWaalsContact C-N 3.3Å; P136-R138 PolarHBondContact O-N 3.02Å; R138-E140 VanDerWaalsContact C-N 3.33Å; R138-V141 PolarHBondContact O-N 2.88Å; R138-I142 HydrophobicContact CG-CD1 4.25Å; R138-I142 WeakPolarHBondContact O-CG1 3.35Å; R138-I142 PolarHBondContact O-N 3.38Å
139	R	97.6	Very high	96.9	Very high	7 Å²	7	48.2 Å²	48.2	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-67.6	-36.4	179.5	-66.3	-168.1	-64.4	-96.7	13	111.3	N133 T134 T135 P136 I142 L143 F155 V204	N133-R139 HydrophobicContact CB-CG 4.47Å; N133-R139 WeakPolarHBondContact O-CG 3.46Å; N133-R139 PolarHBondContact O-NH1 3.07Å; T134-R139 PolarHBondContact O-NH1 2.81Å; T135-R139 PolarHBondContact O-N 2.92Å; P136-R139 PolarHBondContact O-N 3.5Å; R139-I142 PolarHBondContact O-N 2.91Å; R139-L143 WeakPolarHBondContact O-CB 3.38Å; R139-L143 WeakPolarHBondContact O-CG 3.44Å; R139-L143 PolarHBondContact O-N 3.33Å; R139-F155 HydrophobicContact CB-CE1 4.13Å; R139-F155 HydrophobicContact CB-CZ 4.38Å; R139-F155 HydrophobicContact CG-CE1 4.02Å; R139-V204 PolarHBondContact NH1-O 2.76Å; R139-V204 PolarHBondContact NH2-O 2.79Å
140	E	97.2	Very high	96.7	Very high	116 Å²	116	50.6 Å²	50.6	54%	0.542	27%	0.266	S	S	.	.	H	α-helix	trans	-62.7	-43.2	174.6	-173.8	173.5	-165.7	0	0	112.2	P136 E137 R138 I142 L143 N144	P136-E140 PolarHBondContact O-N 3.35Å; E137-E140 PolarHBondContact O-N 2.82Å; R138-E140 VanDerWaalsContact C-N 3.33Å; E140-I142 VanDerWaalsContact C-N 3.3Å; E140-I142 PolarHBondContact O-N 3.39Å; E140-L143 PolarHBondContact O-N 3Å; E140-N144 WeakPolarHBondContact O-CB 3.38Å; E140-N144 PolarHBondContact O-N 3.5Å; E140-N144 PolarHBondContact O-ND2 2.73Å
141	V	96.9	Very high	96.6	Very high	72 Å²	72	51.2 Å²	51.2	44%	0.436	27%	0.268	S	S	.	.	H	α-helix	trans	-56	-45.4	173.4	170.7	0	0	0	0	111.3	E137 R138 N144 F145	E137-V141 WeakPolarHBondContact O-CG2 3.48Å; E137-V141 PolarHBondContact O-N 3.34Å; E137-V141 VanDerWaalsContact O-N 3.12Å; R138-V141 PolarHBondContact O-N 2.88Å; V141-N144 PolarHBondContact O-N 3.43Å; V141-F145 WeakPolarHBondContact O-CB 3.5Å; V141-F145 PolarHBondContact O-N 2.93Å
142	I	97.8	Very high	96.6	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-69.9	-37.1	-179.5	-60.8	165.8	0	0	0	111.3	L42 V44 F129 R138 R139 E140 F145 G146	L42-I142 HydrophobicContact CD2-CG2 3.7Å; V44-I142 HydrophobicContact CG1-CD1 3.94Å; V44-I142 HydrophobicContact CG1-CG2 4.45Å; V44-I142 HydrophobicContact CG2-CG2 3.58Å; F129-I142 HydrophobicContact CD1-CD1 3.96Å; F129-I142 HydrophobicContact CE1-CD1 3.85Å; R138-I142 HydrophobicContact CG-CD1 4.25Å; R138-I142 WeakPolarHBondContact O-CG1 3.35Å; R138-I142 PolarHBondContact O-N 3.38Å; R139-I142 PolarHBondContact O-N 2.91Å; E140-I142 VanDerWaalsContact C-N 3.3Å; E140-I142 PolarHBondContact O-N 3.39Å; I142-F145 PolarHBondContact O-N 2.77Å; I142-G146 PolarHBondContact O-N 2.76Å
143	L	98	Very high	96.8	Very high	47 Å²	47	52.9 Å²	52.9	25%	0.246	27%	0.272	C	S	.	.	H	α-helix	trans	-63.2	-44.6	174.4	-77.6	166.6	0	0	0	111.9	R139 E140 G146 K147 V153 F155 L214	R139-L143 WeakPolarHBondContact O-CB 3.38Å; R139-L143 WeakPolarHBondContact O-CG 3.44Å; R139-L143 PolarHBondContact O-N 3.33Å; E140-L143 PolarHBondContact O-N 3Å; L143-G146 PolarHBondContact O-N 3.28Å; L143-K147 WeakPolarHBondContact O-CB 3.26Å; L143-K147 PolarHBondContact O-N 2.88Å; L143-V153 HydrophobicContact CD2-CB 4.06Å; L143-V153 HydrophobicContact CD2-CG1 4.02Å; L143-V153 HydrophobicContact CD2-CG2 4.32Å; L143-F155 HydrophobicContact CD1-CZ 4.22Å; L143-F155 HydrophobicContact CD2-CE2 3.92Å; L143-F155 HydrophobicContact CD2-CZ 3.94Å; L143-F155 HydrophobicContact CG-CE2 4.35Å; L143-F155 HydrophobicContact CG-CZ 3.91Å; L143-L214 HydrophobicContact CD1-CD1 4.25Å; L143-L214 HydrophobicContact CD1-CD2 3.89Å; L143-L214 HydrophobicContact CD2-CD2 4.09Å
144	N	98	Very high	96.8	Very high	71 Å²	71	52.8 Å²	52.8	38%	0.38	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-45.5	176.8	-71.9	-24	0	0	0	110.8	E140 V141 G146 K147 E148	E140-N144 WeakPolarHBondContact O-CB 3.38Å; E140-N144 PolarHBondContact O-N 3.5Å; E140-N144 PolarHBondContact O-ND2 2.73Å; V141-N144 PolarHBondContact O-N 3.43Å; N144-G146 VanDerWaalsContact C-N 3.34Å; N144-G146 PolarHBondContact O-N 2.95Å; N144-K147 PolarHBondContact O-N 3.4Å; N144-E148 WeakPolarHBondContact O-CB 3.19Å; N144-E148 WeakPolarHBondContact O-CG 3.4Å; N144-E148 PolarHBondContact O-N 2.81Å
145	F	97.6	Very high	96.9	Very high	28 Å²	28	52.6 Å²	52.6	12%	0.123	27%	0.271	C	S	.	.	H	α-helix	trans	-55.9	-46.8	172.9	172.7	-93	0	0	0	112.2	L42 L112 V115 C116 V141 I142 K147 E148 N149 Y151	L42-F145 HydrophobicContact CD2-CD1 4.1Å; L42-F145 HydrophobicContact CD2-CE1 4.28Å; L112-F145 HydrophobicContact CB-CD2 4.24Å; L112-F145 HydrophobicContact CB-CE1 4.43Å; L112-F145 HydrophobicContact CB-CE2 4Å; L112-F145 HydrophobicContact CB-CZ 4.1Å; L112-F145 HydrophobicContact CD1-CG 4.33Å; L112-F145 HydrophobicContact CD2-CD1 3.84Å; L112-F145 HydrophobicContact CD2-CE1 3.96Å; L112-F145 HydrophobicContact CD2-CG 4.27Å; L112-F145 HydrophobicContact CD2-CZ 4.48Å; L112-F145 WeakPolarHBondContact O-CZ 3.33Å; V115-F145 HydrophobicContact CG1-CE1 4.04Å; V115-F145 HydrophobicContact CG1-CZ 4.4Å; C116-F145 HydrophobicContact CB-CE2 4.38Å; C116-F145 HydrophobicContact CB-CZ 3.98Å; V141-F145 WeakPolarHBondContact O-CB 3.5Å; V141-F145 PolarHBondContact O-N 2.93Å; I142-F145 PolarHBondContact O-N 2.77Å; F145-K147 PolarHBondContact O-N 3.48Å; F145-E148 PolarHBondContact O-N 3.48Å; F145-N149 PolarHBondContact O-N 3.27Å; F145-N149 PolarHBondContact O-ND2 2.66Å; F145-Y151 AromaticContact CE1-CD2 3.98Å; F145-Y151 HydrophobicContact CE1-CD2 3.98Å; F145-Y151 AromaticContact CE1-CE2 3.78Å; F145-Y151 HydrophobicContact CE1-CE2 3.78Å; F145-Y151 HydrophobicContact CZ-CE2 4.06Å
146	G	96.7	Very high	97	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.9	-44.1	176.6	0	0	0	0	0	112.2	I142 L143 N144 N149 G150 Y151	I142-G146 PolarHBondContact O-N 2.76Å; L143-G146 PolarHBondContact O-N 3.28Å; N144-G146 VanDerWaalsContact C-N 3.34Å; N144-G146 PolarHBondContact O-N 2.95Å; G146-N149 PolarHBondContact O-N 2.9Å; G146-G150 PolarHBondContact O-N 3.04Å; G146-Y151 PolarHBondContact O-N 3.48Å
147	K	96.3	Very high	97.1	Very high	173 Å²	173	48.6 Å²	48.6	75%	0.752	25%	0.246	S	C	*	.	H	α-helix	trans	-63.5	-46.1	178.6	-176.4	-177	176.2	-172.9	0	112.5	L143 N144 F145 N149 G150	L143-K147 WeakPolarHBondContact O-CB 3.26Å; L143-K147 PolarHBondContact O-N 2.88Å; N144-K147 PolarHBondContact O-N 3.4Å; F145-K147 PolarHBondContact O-N 3.48Å; K147-N149 VanDerWaalsContact C-N 3.25Å; K147-N149 PolarHBondContact O-N 2.98Å; K147-G150 PolarHBondContact O-N 3.36Å
148	E	96.9	Very high	97.2	Very high	158 Å²	158	43.2 Å²	43.2	74%	0.738	22%	0.221	S	C	*	.	H	α-helix	trans	-62.2	-33.2	-179.5	-74.7	170.6	-176.3	0	0	112.4	N144 F145	N144-E148 WeakPolarHBondContact O-CB 3.19Å; N144-E148 WeakPolarHBondContact O-CG 3.4Å; N144-E148 PolarHBondContact O-N 2.81Å; F145-E148 PolarHBondContact O-N 3.48Å
149	N	95.4	Very high	97.2	Very high	62 Å²	62	42.7 Å²	42.7	33%	0.332	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	2.2	-179.5	-65	-83.9	0	0	0	113.8	F145 G146 K147 Y151	F145-N149 PolarHBondContact O-N 3.27Å; F145-N149 PolarHBondContact O-ND2 2.66Å; G146-N149 PolarHBondContact O-N 2.9Å; K147-N149 VanDerWaalsContact C-N 3.25Å; K147-N149 PolarHBondContact O-N 2.98Å; N149-Y151 VanDerWaalsContact C-N 3.34Å; N149-Y151 HydrophobicContact CB-CD1 4.18Å; N149-Y151 HydrophobicContact CB-CD2 3.75Å; N149-Y151 HydrophobicContact CB-CE1 3.8Å; N149-Y151 HydrophobicContact CB-CE2 3.34Å; N149-Y151 HydrophobicContact CB-CG 4.15Å; N149-Y151 WeakPolarHBondContact O-CD1 3.49Å; N149-Y151 WeakPolarHBondContact O-CE1 3.29Å; N149-Y151 PolarHBondContact O-N 3.17Å
150	G	94.8	Very high	96.9	Very high	49 Å²	49	42.5 Å²	42.5	51%	0.505	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	25	179.9	0	0	0	0	0	114.7	G146 K147	G146-G150 PolarHBondContact O-N 3.04Å; K147-G150 PolarHBondContact O-N 3.36Å
151	Y	95.9	Very high	96.5	Very high	17 Å²	17	42.6 Å²	42.6	7%	0.067	23%	0.225	C	C	.	.			trans	-88.2	143.5	176.4	-50.6	-30	0	0	0	111.2	P40 C116 L119 T120 F145 G146 N149	P40-Y151 HydrophobicContact CB-CD1 3.93Å; P40-Y151 HydrophobicContact CB-CE1 4.35Å; P40-Y151 HydrophobicContact CG-CD1 4.28Å; P40-Y151 HydrophobicContact CG-CE1 4.43Å; P40-Y151 WeakPolarHBondContact O-CA 3.45Å; C116-Y151 WeakPolarHBondContact CA-OH 3.25Å; L119-Y151 HydrophobicContact CB-CE1 4.05Å; L119-Y151 HydrophobicContact CD1-CD1 4.08Å; L119-Y151 HydrophobicContact CD1-CD2 3.91Å; L119-Y151 HydrophobicContact CD1-CE1 4.04Å; L119-Y151 HydrophobicContact CD1-CE2 3.85Å; L119-Y151 HydrophobicContact CD1-CG 4.04Å; T120-Y151 HydrophobicContact CG2-CE1 4.48Å; T120-Y151 VanDerWaalsContact CG2-OH 3.25Å; T120-Y151 WeakPolarHBondContact CG2-OH 3.28Å; F145-Y151 AromaticContact CE1-CD2 3.98Å; F145-Y151 HydrophobicContact CE1-CD2 3.98Å; F145-Y151 AromaticContact CE1-CE2 3.78Å; F145-Y151 HydrophobicContact CE1-CE2 3.78Å; F145-Y151 HydrophobicContact CZ-CE2 4.06Å; G146-Y151 PolarHBondContact O-N 3.48Å; N149-Y151 VanDerWaalsContact C-N 3.34Å; N149-Y151 HydrophobicContact CB-CD1 4.18Å; N149-Y151 HydrophobicContact CB-CD2 3.75Å; N149-Y151 HydrophobicContact CB-CE1 3.8Å; N149-Y151 HydrophobicContact CB-CE2 3.34Å; N149-Y151 HydrophobicContact CB-CG 4.15Å; N149-Y151 WeakPolarHBondContact O-CD1 3.49Å; N149-Y151 WeakPolarHBondContact O-CE1 3.29Å; N149-Y151 PolarHBondContact O-N 3.17Å
152	K	96.8	Very high	96.1	Very high	50 Å²	50	41.9 Å²	41.9	22%	0.217	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	144.4	165.1	-63.4	-175.4	-175.2	-176.4	0	109.3	P40 T41 L42 D233	P40-K152 PolarHBondContact O-N 3.43Å; T41-K152 CarbonylContact C-O 3.55Å; T41-K152 WeakPolarHBondContact CA-O 3.45Å; L42-K152 PolarHBondContact N-O 3.22Å; K152-D233 VanDerWaalsContact CD-OD2 3.28Å; K152-D233 WeakPolarHBondContact CD-OD2 3.49Å; K152-D233 IonicContact NZ-OD2 3.34Å; K152-D233 PolarHBondContact NZ-OD2 3.48Å
153	V	98.3	Very high	95.6	Very high	18 Å²	18	46.7 Å²	46.7	11%	0.109	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.4	178.2	-177.1	0	0	0	0	109.4	L42 V44 L143 F155	L42-V153 WeakPolarHBondContact O-CA 3.49Å; V44-V153 HydrophobicContact CG2-CG1 3.77Å; L143-V153 HydrophobicContact CD2-CB 4.06Å; L143-V153 HydrophobicContact CD2-CG1 4.02Å; L143-V153 HydrophobicContact CD2-CG2 4.32Å; V153-F155 HydrophobicContact CG1-CD2 4.26Å; V153-F155 HydrophobicContact CG1-CE1 4.4Å; V153-F155 HydrophobicContact CG1-CE2 3.69Å; V153-F155 HydrophobicContact CG1-CZ 3.76Å
154	F	98.7	Very high	95	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.2	177.8	-175.1	-108.2	0	0	0	110.3	T41 L42 I43 V44 V156 S215 I217 Q236 I239 V240	T41-F154 HydrophobicContact CG2-CB 4.32Å; L42-F154 PolarHBondContact O-N 3.48Å; I43-F154 CarbonylContact C-O 3.6Å; I43-F154 VanDerWaalsContact CA-O 3.26Å; I43-F154 WeakPolarHBondContact CA-O 3.44Å; V44-F154 PolarHBondContact N-O 2.87Å; F154-V156 HydrophobicContact CD1-CG2 4.12Å; F154-V156 HydrophobicContact CE1-CG2 3.98Å; F154-S215 WeakPolarHBondContact CA-O 3.34Å; F154-I217 HydrophobicContact CE1-CG2 3.74Å; F154-I217 HydrophobicContact CZ-CB 4.11Å; F154-I217 HydrophobicContact CZ-CG2 3.74Å; F154-Q236 HydrophobicContact CB-CG 4.15Å; F154-Q236 HydrophobicContact CD2-CB 4.23Å; F154-Q236 HydrophobicContact CD2-CG 3.79Å; F154-Q236 HydrophobicContact CE2-CB 4.31Å; F154-Q236 HydrophobicContact CE2-CG 4.36Å; F154-Q236 HydrophobicContact CG-CG 3.93Å; F154-I239 HydrophobicContact CD1-CG2 4.27Å; F154-I239 HydrophobicContact CE1-CB 4.49Å; F154-I239 HydrophobicContact CE1-CG2 3.78Å; F154-V240 HydrophobicContact CZ-CG2 3.73Å
155	F	98.8	Very high	94.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	140.2	-178.5	-59.7	-94.8	0	0	0	112	V44 V46 R139 L143 V153 L206 L214 S215 Y216 I217	V44-F155 HydrophobicContact CB-CD1 3.55Å; V44-F155 HydrophobicContact CB-CE1 3.78Å; V44-F155 HydrophobicContact CB-CG 4.34Å; V44-F155 HydrophobicContact CG1-CD1 3.7Å; V44-F155 HydrophobicContact CG1-CE1 3.7Å; V44-F155 HydrophobicContact CG2-CD1 4.39Å; V44-F155 HydrophobicContact CG2-CE1 4.21Å; V44-F155 WeakPolarHBondContact O-CA 3.43Å; V46-F155 HydrophobicContact CG2-CB 4.42Å; V46-F155 HydrophobicContact CG2-CD1 3.76Å; R139-F155 HydrophobicContact CB-CE1 4.13Å; R139-F155 HydrophobicContact CB-CZ 4.38Å; R139-F155 HydrophobicContact CG-CE1 4.02Å; L143-F155 HydrophobicContact CD1-CZ 4.22Å; L143-F155 HydrophobicContact CD2-CE2 3.92Å; L143-F155 HydrophobicContact CD2-CZ 3.94Å; L143-F155 HydrophobicContact CG-CE2 4.35Å; L143-F155 HydrophobicContact CG-CZ 3.91Å; V153-F155 HydrophobicContact CG1-CD2 4.26Å; V153-F155 HydrophobicContact CG1-CE1 4.4Å; V153-F155 HydrophobicContact CG1-CE2 3.69Å; V153-F155 HydrophobicContact CG1-CZ 3.76Å; F155-L206 HydrophobicContact CB-CD1 3.82Å; F155-L206 HydrophobicContact CG-CD1 4.35Å; F155-L214 HydrophobicContact CD2-CD1 4.46Å; F155-L214 HydrophobicContact CE2-CB 4.45Å; F155-L214 HydrophobicContact CE2-CD1 3.94Å; F155-S215 PolarHBondContact N-O 3.35Å; F155-Y216 CarbonylContact O-C 3.6Å; F155-Y216 WeakPolarHBondContact O-CA 3.47Å; F155-Y216 WeakPolarHBondContact O-CB 3.37Å; F155-I217 PolarHBondContact O-N 3.18Å
156	V	98.6	Very high	93.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	100.5	170.9	-179	0	0	0	0	108	I43 V44 M45 V46 I56 F154 I217 I219 L243	I43-V156 HydrophobicContact CG2-CG2 3.72Å; V44-V156 PolarHBondContact O-N 2.83Å; M45-V156 WeakPolarHBondContact CA-O 3.32Å; M45-V156 HydrophobicContact CE-CB 3.93Å; M45-V156 HydrophobicContact CE-CG1 3.75Å; M45-V156 HydrophobicContact SD-CB 3.92Å; M45-V156 HydrophobicContact SD-CG1 4.33Å; V46-V156 PolarHBondContact N-O 3.23Å; I56-V156 HydrophobicContact CG2-CG1 4.2Å; F154-V156 HydrophobicContact CD1-CG2 4.12Å; F154-V156 HydrophobicContact CE1-CG2 3.98Å; V156-I217 HydrophobicContact CB-CG2 4.2Å; V156-I217 HydrophobicContact CG1-CG2 4.11Å; V156-I217 HydrophobicContact CG2-CG2 3.82Å; V156-I219 HydrophobicContact CG1-CD1 4.05Å; V156-L243 HydrophobicContact CG1-CD1 4Å; V156-L243 HydrophobicContact CG2-CD1 4.07Å
157	E	98.5	Very high	93.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123	179	-172.3	172.7	-145.7	0	0	110.9	V46 I159 Y203 P205 L206 I217 K218 I219	V46-E157 HydrophobicContact CB-CB 3.92Å; V46-E157 HydrophobicContact CB-CG 3.92Å; V46-E157 HydrophobicContact CG1-CB 4.35Å; V46-E157 HydrophobicContact CG1-CG 3.86Å; V46-E157 WeakPolarHBondContact O-CA 3.46Å; E157-I159 HydrophobicContact CG-CD1 4.13Å; E157-I159 HydrophobicContact CG-CG1 3.83Å; E157-Y203 PolarHBondContact OE1-OH 3.33Å; E157-P205 VanDerWaalsContact OE1-CA 3.23Å; E157-P205 WeakPolarHBondContact OE1-CA 3.32Å; E157-P205 WeakPolarHBondContact OE1-CB 3.4Å; E157-L206 HydrophobicContact CB-CD1 4.06Å; E157-L206 PolarHBondContact OE1-N 2.72Å; E157-L206 WeakPolarHBondContact OE2-CB 3.22Å; E157-L206 PolarHBondContact OE2-N 3.47Å; E157-L206 VanDerWaalsContact OE2-N 3.16Å; E157-I217 PolarHBondContact N-O 3.18Å; E157-K218 HydrophobicContact CB-CG 4.2Å; E157-K218 CarbonylContact O-C 3.58Å; E157-K218 WeakPolarHBondContact O-CA 3.34Å; E157-K218 WeakPolarHBondContact OE2-CE 3.49Å; E157-I219 PolarHBondContact O-N 2.91Å
158	S	96.4	Very high	92.6	Very high	6 Å²	6	47.9 Å²	47.9	4%	0.042	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	115.9	174.7	-174.4	0	0	0	0	110.6	V46 R51	V46-S158 PolarHBondContact O-N 3.38Å; R51-S158 WeakPolarHBondContact O-CB 3.37Å; R51-S158 PolarHBondContact O-OG 3.04Å
159	I	95.6	Very high	91.9	Very high	23 Å²	23	41.6 Å²	41.6	12%	0.118	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.3	-176.6	-54.3	174.1	0	0	0	107.5	E157 K218 I219 F220 N221	E157-I159 HydrophobicContact CG-CD1 4.13Å; E157-I159 HydrophobicContact CG-CG1 3.83Å; I159-K218 HydrophobicContact CD1-CB 4.4Å; I159-K218 HydrophobicContact CD1-CD 4.29Å; I159-K218 HydrophobicContact CD1-CG 4.49Å; I159-I219 PolarHBondContact N-O 3.14Å; I159-F220 HydrophobicContact CB-CD1 3.93Å; I159-F220 HydrophobicContact CB-CE1 4.19Å; I159-F220 HydrophobicContact CD1-CD1 4.09Å; I159-F220 HydrophobicContact CD1-CE1 3.45Å; I159-F220 VanDerWaalsContact CD1-CE1 3.45Å; I159-F220 HydrophobicContact CD1-CZ 3.81Å; I159-F220 HydrophobicContact CG1-CE1 4.37Å; I159-F220 HydrophobicContact CG2-CD1 3.99Å; I159-F220 HydrophobicContact CG2-CE1 4.19Å; I159-F220 CarbonylContact O-C 3.52Å; I159-F220 VanDerWaalsContact O-CA 3.31Å; I159-F220 WeakPolarHBondContact O-CA 3.28Å; I159-N221 PolarHBondContact O-N 3.32Å
160	C	91.9	Very high	91.4	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.014	22%	0.22	C	C	.	.			trans	-143.3	123.8	176	-166.9	0	0	0	0	108.9	R51 I165 N221	R51-C160 VanDerWaalsContact CD-CB 3.46Å; R51-C160 PolarHBondContact NE-O 2.84Å; R51-C160 PolarHBondContact NH2-O 2.85Å; C160-I165 VanDerWaalsContact SG-CG2 3.58Å; C160-N221 WeakPolarHBondContact CA-OD1 3.32Å
161	D	89.1	Confident	90.7	Very high	119 Å²	119	42.4 Å²	42.4	64%	0.636	22%	0.221	S	C	*	.			trans	-112.6	-6.4	178.5	-58.3	-40.3	0	0	0	111.7	P163 N221	D161-P163 VanDerWaalsContact O-CD 3.27Å; D161-P163 WeakPolarHBondContact O-CD 3.26Å; D161-N221 PolarHBondContact N-OD1 2.94Å
162	D	87.8	Confident	89.5	Confident	57 Å²	57	46.2 Å²	46.2	31%	0.305	24%	0.24	S	C	.	.			trans	-67.2	114	175	-172.1	-44.5	0	0	0	112	E164 I165 I166	D162-E164 VanDerWaalsContact C-N 3.32Å; D162-E164 PolarHBondContact O-N 3.38Å; D162-E164 WeakPolarHBondContact OD1-CB 3.44Å; D162-E164 PolarHBondContact OD1-N 2.79Å; D162-I165 HydrophobicContact CB-CB 4.13Å; D162-I165 HydrophobicContact CB-CD1 3.84Å; D162-I165 HydrophobicContact CB-CG1 4Å; D162-I165 PolarHBondContact OD1-N 3.35Å; D162-I166 WeakPolarHBondContact O-CD1 3.37Å; D162-I166 WeakPolarHBondContact O-CG1 3.48Å; D162-I166 PolarHBondContact O-N 3.35Å
163	P	86.5	Confident	88.3	Confident	101 Å²	101	44.8 Å²	44.8	66%	0.656	24%	0.235	S	C	*	.	H	α-helix	trans	-62.3	-33.2	-178.5	-22.9	35	0	0	0	114.5	D161 I166 A167	D161-P163 VanDerWaalsContact O-CD 3.27Å; D161-P163 WeakPolarHBondContact O-CD 3.26Å; P163-I166 PolarHBondContact O-N 2.88Å; P163-A167 WeakPolarHBondContact O-CB 3.49Å; P163-A167 PolarHBondContact O-N 3.16Å
164	E	86.6	Confident	87.1	Confident	157 Å²	157	46 Å²	46	73%	0.734	24%	0.239	S	C	*	.	H	α-helix	trans	-70.5	-45.8	-177	-62.2	-174.1	175.8	0	0	110.3	D162 I166 A167 E168	D162-E164 VanDerWaalsContact C-N 3.32Å; D162-E164 PolarHBondContact O-N 3.38Å; D162-E164 WeakPolarHBondContact OD1-CB 3.44Å; D162-E164 PolarHBondContact OD1-N 2.79Å; E164-I166 VanDerWaalsContact C-N 3.27Å; E164-I166 PolarHBondContact O-N 3.04Å; E164-A167 PolarHBondContact O-N 3.33Å; E164-E168 WeakPolarHBondContact O-CB 3.21Å; E164-E168 PolarHBondContact O-N 3.03Å
165	I	84	Confident	85.8	Confident	44 Å²	44	48.1 Å²	48.1	23%	0.226	25%	0.25	C	S	.	.	H	α-helix	trans	-59.9	-40.9	175.1	-64.5	-179.5	0	0	0	110.8	C160 D162 E168 N169 V222	C160-I165 VanDerWaalsContact SG-CG2 3.58Å; D162-I165 HydrophobicContact CB-CB 4.13Å; D162-I165 HydrophobicContact CB-CD1 3.84Å; D162-I165 HydrophobicContact CB-CG1 4Å; D162-I165 PolarHBondContact OD1-N 3.35Å; I165-E168 PolarHBondContact O-N 3.16Å; I165-N169 WeakPolarHBondContact O-CB 3.39Å; I165-N169 PolarHBondContact O-N 2.83Å; I165-N169 PolarHBondContact O-ND2 3.41Å; I165-V222 HydrophobicContact CD1-CG2 3.95Å; I165-V222 HydrophobicContact CG2-CG2 3.5Å
166	I	85.6	Confident	84.5	Confident	18 Å²	18	52.2 Å²	52.2	9%	0.092	28%	0.278	C	S	.	.	H	α-helix	trans	-65.9	-46.4	179.7	-63.1	162	0	0	0	110.3	R51 D162 P163 E164 E168 N169 I170 I196	R51-I166 VanDerWaalsContact CZ-CD1 3.43Å; R51-I166 VanDerWaalsContact NH1-CG1 3.3Å; D162-I166 WeakPolarHBondContact O-CD1 3.37Å; D162-I166 WeakPolarHBondContact O-CG1 3.48Å; D162-I166 PolarHBondContact O-N 3.35Å; P163-I166 PolarHBondContact O-N 2.88Å; E164-I166 VanDerWaalsContact C-N 3.27Å; E164-I166 PolarHBondContact O-N 3.04Å; I166-E168 VanDerWaalsContact C-N 3.32Å; I166-E168 PolarHBondContact O-N 2.75Å; I166-N169 PolarHBondContact O-N 2.81Å; I166-I170 HydrophobicContact CG2-CD1 3.98Å; I166-I170 VanDerWaalsContact O-CG1 3.27Å; I166-I170 WeakPolarHBondContact O-CG1 3.35Å; I166-I170 PolarHBondContact O-N 3.36Å; I166-I196 HydrophobicContact CG2-CD1 4.41Å
167	A	85.3	Confident	83.6	Confident	42 Å²	42	52.9 Å²	52.9	35%	0.347	28%	0.283	S	S	.	.	H	α-helix	trans	-59.9	-44.2	178	0	0	0	0	0	111.3	P163 E164 I170 K171	P163-A167 WeakPolarHBondContact O-CB 3.49Å; P163-A167 PolarHBondContact O-N 3.16Å; E164-A167 PolarHBondContact O-N 3.33Å; A167-I170 PolarHBondContact O-N 2.69Å; A167-K171 WeakPolarHBondContact O-CG 3.41Å; A167-K171 PolarHBondContact O-N 2.96Å
168	E	82.9	Confident	82.7	Confident	83 Å²	83	57.1 Å²	57.1	39%	0.388	31%	0.311	S	S	.	.	H	α-helix	trans	-65.5	-43.1	178.6	-168.4	58.3	-155.8	0	0	112	E164 I165 I166 I170 K171 Q172	E164-E168 WeakPolarHBondContact O-CB 3.21Å; E164-E168 PolarHBondContact O-N 3.03Å; I165-E168 PolarHBondContact O-N 3.16Å; I166-E168 VanDerWaalsContact C-N 3.32Å; I166-E168 PolarHBondContact O-N 2.75Å; E168-I170 VanDerWaalsContact C-N 3.27Å; E168-I170 PolarHBondContact O-N 2.9Å; E168-K171 PolarHBondContact O-N 2.82Å; E168-K171 VanDerWaalsContact O-N 3.16Å; E168-Q172 HydrophobicContact CG-CG 4.22Å; E168-Q172 WeakPolarHBondContact O-CG 3.44Å; E168-Q172 PolarHBondContact O-N 2.93Å; E168-Q172 WeakPolarHBondContact OE1-CG 3.38Å; E168-Q172 PolarHBondContact OE1-NE2 2.88Å
169	N	82.9	Confident	82	Confident	25 Å²	25	57.7 Å²	57.7	13%	0.134	31%	0.313	C	S	.	.	H	α-helix	trans	-60.1	-36.7	174.9	-78	-29.9	0	0	0	112.7	A50 I165 I166 V173	A50-N169 HydrophobicContact CB-CB 4.21Å; A50-N169 PolarHBondContact O-ND2 3.36Å; I165-N169 WeakPolarHBondContact O-CB 3.39Å; I165-N169 PolarHBondContact O-N 2.83Å; I165-N169 PolarHBondContact O-ND2 3.41Å; I166-N169 PolarHBondContact O-N 2.81Å; N169-V173 WeakPolarHBondContact O-CB 3.43Å; N169-V173 PolarHBondContact O-N 2.86Å
170	I	83.2	Confident	81.4	Confident	4 Å²	4	57 Å²	57	2%	0.021	31%	0.309	C	S	.	.	I	π-helix	trans	-66.4	-49.3	175.2	-66.9	166.9	0	0	0	109.4	A50 I166 A167 E168 K174 L175 V189 F192 L193 I196	A50-I170 HydrophobicContact CB-CG1 3.75Å; I166-I170 HydrophobicContact CG2-CD1 3.98Å; I166-I170 VanDerWaalsContact O-CG1 3.27Å; I166-I170 WeakPolarHBondContact O-CG1 3.35Å; I166-I170 PolarHBondContact O-N 3.36Å; A167-I170 PolarHBondContact O-N 2.69Å; E168-I170 VanDerWaalsContact C-N 3.27Å; E168-I170 PolarHBondContact O-N 2.9Å; I170-K174 HydrophobicContact CG2-CB 4.45Å; I170-K174 WeakPolarHBondContact O-CA 3.35Å; I170-K174 WeakPolarHBondContact O-CB 3.26Å; I170-K174 PolarHBondContact O-N 2.95Å; I170-L175 PolarHBondContact O-N 3.28Å; I170-L175 VanDerWaalsContact O-N 3.16Å; I170-V189 HydrophobicContact CG2-CG2 3.94Å; I170-F192 HydrophobicContact CD1-CD1 4.01Å; I170-F192 HydrophobicContact CG1-CD1 3.79Å; I170-F192 HydrophobicContact CG1-CE1 4.12Å; I170-F192 HydrophobicContact CG2-CD1 4.49Å; I170-L193 HydrophobicContact CD1-CD2 3.85Å; I170-L193 HydrophobicContact CD1-CG 4.42Å; I170-I196 HydrophobicContact CD1-CD1 4.24Å
171	K	80.1	Confident	80.8	Confident	124 Å²	124	62.1 Å²	62.1	54%	0.539	34%	0.34	S	S	.	.	I	π-helix	trans	-60.9	-51.2	-178	-72.7	175.7	-176.3	177.2	0	113	A167 E168 L175	A167-K171 WeakPolarHBondContact O-CG 3.41Å; A167-K171 PolarHBondContact O-N 2.96Å; E168-K171 PolarHBondContact O-N 2.82Å; E168-K171 VanDerWaalsContact O-N 3.16Å; K171-L175 HydrophobicContact CB-CD1 4.39Å; K171-L175 HydrophobicContact CG-CD1 4.38Å
172	Q	71.8	Confident	80.4	Confident	98 Å²	98	64.2 Å²	64.2	46%	0.458	35%	0.351	S	S	.	.	I	π-helix	trans	-70.6	-35.6	-173.8	-69.4	-169.6	3.3	0	0	113.3	E168	E168-Q172 HydrophobicContact CG-CG 4.22Å; E168-Q172 WeakPolarHBondContact O-CG 3.44Å; E168-Q172 PolarHBondContact O-N 2.93Å; E168-Q172 WeakPolarHBondContact OE1-CG 3.38Å; E168-Q172 PolarHBondContact OE1-NE2 2.88Å
173	V	71.8	Confident	80	Confident	19 Å²	19	64.5 Å²	64.5	12%	0.115	36%	0.357	C	S	.	.	I	π-helix	trans	-119.9	-28.5	-160.1	-172.6	0	0	0	0	113.2	N169 A428 Y429	N169-V173 WeakPolarHBondContact O-CB 3.43Å; N169-V173 PolarHBondContact O-N 2.86Å; V173-A428 HydrophobicContact CG2-CB 3.46Å; V173-A428 VanDerWaalsContact CG2-CB 3.46Å; V173-Y429 HydrophobicContact CG1-CE1 3.92Å; V173-Y429 HydrophobicContact CG1-CE2 3.79Å; V173-Y429 WeakPolarHBondContact CG1-OH 3.43Å
174	K	73.4	Confident	80	Confident	43 Å²	43	63.7 Å²	63.7	19%	0.187	35%	0.347	C	S	.	.	I	π-helix	trans	-103.2	-27.6	-172.2	-58.5	-57.2	179.9	-166.2	0	113	I170 S176 S177 Y180 F192	I170-K174 HydrophobicContact CG2-CB 4.45Å; I170-K174 WeakPolarHBondContact O-CA 3.35Å; I170-K174 WeakPolarHBondContact O-CB 3.26Å; I170-K174 PolarHBondContact O-N 2.95Å; K174-S176 VanDerWaalsContact C-N 3.25Å; K174-S176 PolarHBondContact O-N 3.47Å; K174-S177 WeakPolarHBondContact O-CB 3.2Å; K174-S177 PolarHBondContact O-N 3.33Å; K174-S177 VanDerWaalsContact O-N 3.11Å; K174-Y180 WeakPolarHBondContact O-CD2 3.33Å; K174-F192 HydrophobicContact CB-CD2 4.26Å; K174-F192 HydrophobicContact CB-CE2 4.1Å; K174-F192 HydrophobicContact CB-CZ 4.34Å; K174-F192 HydrophobicContact CD-CE2 3.92Å; K174-F192 HydrophobicContact CD-CZ 3.91Å; K174-F192 HydrophobicContact CG-CD2 4.46Å; K174-F192 HydrophobicContact CG-CE1 4.16Å; K174-F192 HydrophobicContact CG-CE2 3.85Å; K174-F192 HydrophobicContact CG-CZ 3.68Å
175	L	70	Confident	79.9	Confident	46 Å²	46	63.1 Å²	63.1	24%	0.241	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-27	170.7	-65.9	-177.7	0	0	0	113.1	I170 K171 S177 K185 A188 V189	I170-L175 PolarHBondContact O-N 3.28Å; I170-L175 VanDerWaalsContact O-N 3.16Å; K171-L175 HydrophobicContact CB-CD1 4.39Å; K171-L175 HydrophobicContact CG-CD1 4.38Å; L175-S177 VanDerWaalsContact C-N 3.3Å; L175-K185 HydrophobicContact CD1-CB 4.35Å; L175-K185 HydrophobicContact CD1-CD 4.4Å; L175-K185 HydrophobicContact CD1-CG 4.31Å; L175-K185 HydrophobicContact CD2-CB 4.42Å; L175-A188 HydrophobicContact CD2-CB 3.77Å; L175-V189 HydrophobicContact CD1-CG2 4.49Å; L175-V189 HydrophobicContact CD2-CG2 3.9Å
176	S	72.7	Confident	80	Confident	85 Å²	85	68.6 Å²	68.6	59%	0.594	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	7.4	173.4	54.9	0	0	0	0	113.3	K174	K174-S176 VanDerWaalsContact C-N 3.25Å; K174-S176 PolarHBondContact O-N 3.47Å
177	S	78.9	Confident	80.1	Confident	14 Å²	14	74 Å²	74	10%	0.098	39%	0.392	C	S	.	.	S	Bend	trans	-71.4	143.5	179.8	-179.6	0	0	0	0	110.9	K174 L175 D179 Y180	K174-S177 WeakPolarHBondContact O-CB 3.2Å; K174-S177 PolarHBondContact O-N 3.33Å; K174-S177 VanDerWaalsContact O-N 3.11Å; L175-S177 VanDerWaalsContact C-N 3.3Å; S177-D179 PolarHBondContact O-N 2.91Å; S177-D179 PolarHBondContact OG-N 3.49Å; S177-Y180 PolarHBondContact O-N 2.67Å
178	P	80.5	Confident	80.2	Confident	89 Å²	89	72.1 Å²	72.1	58%	0.578	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-56.9	-19.5	170.4	-24.7	34.2	0	0	0	114.1	Y180	P178-Y180 PolarHBondContact O-N 3.36Å
179	D	81.6	Confident	80.4	Confident	18 Å²	18	70.2 Å²	70.2	10%	0.096	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-67.7	-16.2	176.5	-66.4	16.3	0	0	0	113	R80 R81 Y87 S177 R195	R80-D179 IonicContact CZ-OD1 2.73Å; R80-D179 IonicContact CZ-OD2 2.7Å; R80-D179 IonicContact NH1-OD1 2.81Å; R80-D179 IonicContact NH1-OD2 3.97Å; R80-D179 PolarHBondContact NH1-OD2 2.87Å; R80-D179 VanDerWaalsContact NH2-CG 3.34Å; R80-D179 IonicContact NH2-OD1 3.96Å; R80-D179 PolarHBondContact NH2-OD1 2.55Å; R80-D179 IonicContact NH2-OD2 3.5Å; R80-D179 PolarHBondContact NH2-OD2 3.12Å; R81-D179 VanDerWaalsContact CD-OD1 3.31Å; R81-D179 WeakPolarHBondContact CD-OD1 3.38Å; R81-D179 IonicContact NH1-OD1 2.67Å; R81-D179 PolarHBondContact NH1-OD1 2.87Å; R81-D179 VanDerWaalsContact NH1-OD1 3.08Å; Y87-D179 HydrophobicContact CE1-CB 4.41Å; Y87-D179 HydrophobicContact CE2-CB 4.31Å; S177-D179 PolarHBondContact O-N 2.91Å; S177-D179 PolarHBondContact OG-N 3.49Å; D179-R195 IonicContact OD2-NH1 3.99Å; D179-R195 PolarHBondContact OD2-NH1 2.98Å; D179-R195 VanDerWaalsContact OD2-NH1 3.09Å
180	Y	83.4	Confident	80.7	Confident	9 Å²	9	71.2 Å²	71.2	4%	0.035	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-133.8	23.2	-171.5	-63	-74.4	0	0	0	114.1	Y87 K174 S177 P178 D182 C183 A188 D191 F192	Y87-Y180 HydrophobicContact CE1-CE1 4.29Å; Y87-Y180 PolarHBondContact OH-OH 2.96Å; K174-Y180 WeakPolarHBondContact O-CD2 3.33Å; S177-Y180 PolarHBondContact O-N 2.67Å; P178-Y180 PolarHBondContact O-N 3.36Å; Y180-D182 VanDerWaalsContact C-N 3.26Å; Y180-D182 PolarHBondContact O-N 3.46Å; Y180-C183 HydrophobicContact CD1-CB 4.27Å; Y180-C183 PolarHBondContact O-N 2.7Å; Y180-A188 HydrophobicContact CD1-CB 3.53Å; Y180-A188 HydrophobicContact CE1-CB 4.13Å; Y180-A188 HydrophobicContact CG-CB 3.8Å; Y180-D191 HydrophobicContact CE1-CB 4.02Å; Y180-D191 VanDerWaalsContact CE1-OD2 3.26Å; Y180-D191 WeakPolarHBondContact CE1-OD2 2.88Å; Y180-D191 PolarHBondContact OH-OD2 3.28Å; Y180-F192 AromaticContact CE2-CD2 3.72Å; Y180-F192 HydrophobicContact CE2-CD2 3.72Å; Y180-F192 HydrophobicContact CE2-CE2 4.46Å; Y180-F192 AromaticContact CZ-CD2 3.94Å; Y180-F192 WeakPolarHBondContact OH-CD2 3.5Å
181	V	78.8	Confident	81.1	Confident	110 Å²	110	72.1 Å²	72.1	67%	0.667	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-38.7	-174.3	176.6	0	0	0	0	112.6
182	D	80.1	Confident	81.6	Confident	162 Å²	162	66.4 Å²	66.4	87%	0.866	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	14.5	-175.4	-56.2	-47.8	0	0	0	113.1	Y180	Y180-D182 VanDerWaalsContact C-N 3.26Å; Y180-D182 PolarHBondContact O-N 3.46Å
183	C	80.4	Confident	82.5	Confident	63 Å²	63	65.6 Å²	65.6	43%	0.426	36%	0.36	S	S	.	.	S	Bend	trans	-103.9	145.5	-178.8	-65	0	0	0	0	111.5	Y180 A188	Y180-C183 HydrophobicContact CD1-CB 4.27Å; Y180-C183 PolarHBondContact O-N 2.7Å; C183-A188 HydrophobicContact CB-CB 4.21Å
184	D	86.9	Confident	83.5	Confident	84 Å²	84	69.7 Å²	69.7	45%	0.449	38%	0.377	S	S	.	.			trans	-61.3	148.5	166.3	178.5	68.4	0	0	0	110.7	E186 E187 A188	D184-E186 VanDerWaalsContact C-N 3.32Å; D184-E186 PolarHBondContact O-N 2.79Å; D184-E186 VanDerWaalsContact OD2-CB 3.32Å; D184-E186 WeakPolarHBondContact OD2-CB 3.43Å; D184-E186 PolarHBondContact OD2-N 3.09Å; D184-E187 HydrophobicContact CB-CB 4.25Å; D184-E187 HydrophobicContact CB-CG 4.09Å; D184-E187 PolarHBondContact O-N 3.02Å; D184-A188 VanDerWaalsContact O-CB 3.28Å; D184-A188 WeakPolarHBondContact O-CB 3.39Å; D184-A188 PolarHBondContact O-N 3.34Å
185	K	84.1	Confident	84.4	Confident	146 Å²	146	69 Å²	69	64%	0.635	37%	0.373	S	S	*	.	H	α-helix	trans	-62.5	-38.9	-176.3	-71.1	-178.7	-178.7	174.4	0	112.3	L175 V189	L175-K185 HydrophobicContact CD1-CB 4.35Å; L175-K185 HydrophobicContact CD1-CD 4.4Å; L175-K185 HydrophobicContact CD1-CG 4.31Å; L175-K185 HydrophobicContact CD2-CB 4.42Å; K185-V189 VanDerWaalsContact O-CG2 3.26Å; K185-V189 WeakPolarHBondContact O-CG2 3.5Å; K185-V189 PolarHBondContact O-N 3.21Å
186	E	86.3	Confident	85.5	Confident	159 Å²	159	67 Å²	67	74%	0.743	36%	0.363	S	S	*	.	H	α-helix	trans	-71.4	-41.4	-178.9	-61.1	176.4	176.1	0	0	110.2	D184 V189 A190	D184-E186 VanDerWaalsContact C-N 3.32Å; D184-E186 PolarHBondContact O-N 2.79Å; D184-E186 VanDerWaalsContact OD2-CB 3.32Å; D184-E186 WeakPolarHBondContact OD2-CB 3.43Å; D184-E186 PolarHBondContact OD2-N 3.09Å; E186-V189 PolarHBondContact O-N 3.16Å; E186-A190 WeakPolarHBondContact O-CB 3.35Å; E186-A190 PolarHBondContact O-N 3.27Å
187	E	87.4	Confident	86.6	Confident	131 Å²	131	67.6 Å²	67.6	61%	0.612	36%	0.356	S	S	*	.	H	α-helix	trans	-62.9	-43.7	173.7	-66.1	-174.9	167.3	0	0	112.1	D184 V189 A190 D191	D184-E187 HydrophobicContact CB-CB 4.25Å; D184-E187 HydrophobicContact CB-CG 4.09Å; D184-E187 PolarHBondContact O-N 3.02Å; E187-V189 PolarHBondContact O-N 3Å; E187-A190 PolarHBondContact O-N 3Å; E187-D191 WeakPolarHBondContact O-CB 3.37Å; E187-D191 PolarHBondContact O-N 3.26Å
188	A	86.9	Confident	87.3	Confident	3 Å²	3	67.4 Å²	67.4	3%	0.025	35%	0.354	C	S	.	.	H	α-helix	trans	-62.3	-41.4	177.1	0	0	0	0	0	111.8	L175 Y180 C183 D184 F192	L175-A188 HydrophobicContact CD2-CB 3.77Å; Y180-A188 HydrophobicContact CD1-CB 3.53Å; Y180-A188 HydrophobicContact CE1-CB 4.13Å; Y180-A188 HydrophobicContact CG-CB 3.8Å; C183-A188 HydrophobicContact CB-CB 4.21Å; D184-A188 VanDerWaalsContact O-CB 3.28Å; D184-A188 WeakPolarHBondContact O-CB 3.39Å; D184-A188 PolarHBondContact O-N 3.34Å; A188-F192 VanDerWaalsContact O-CB 3.25Å; A188-F192 WeakPolarHBondContact O-CB 3.06Å; A188-F192 PolarHBondContact O-N 3.28Å
189	V	87.6	Confident	87.9	Confident	43 Å²	43	63.9 Å²	63.9	26%	0.261	33%	0.33	S	S	.	.	H	α-helix	trans	-62.4	-47	173.7	171.1	0	0	0	0	110.4	I170 L175 K185 E186 E187 F192 L193	I170-V189 HydrophobicContact CG2-CG2 3.94Å; L175-V189 HydrophobicContact CD1-CG2 4.49Å; L175-V189 HydrophobicContact CD2-CG2 3.9Å; K185-V189 VanDerWaalsContact O-CG2 3.26Å; K185-V189 WeakPolarHBondContact O-CG2 3.5Å; K185-V189 PolarHBondContact O-N 3.21Å; E186-V189 PolarHBondContact O-N 3.16Å; E187-V189 PolarHBondContact O-N 3Å; V189-F192 PolarHBondContact O-N 2.85Å; V189-L193 HydrophobicContact CG1-CD1 4.04Å; V189-L193 HydrophobicContact CG1-CG 4.41Å; V189-L193 WeakPolarHBondContact O-CG 3.49Å; V189-L193 PolarHBondContact O-N 3.49Å
190	A	89.4	Confident	88.5	Confident	45 Å²	45	67.6 Å²	67.6	37%	0.372	35%	0.345	S	S	.	.	H	α-helix	trans	-62.9	-43.8	-179.5	0	0	0	0	0	112.5	E186 E187 L193 K194	E186-A190 WeakPolarHBondContact O-CB 3.35Å; E186-A190 PolarHBondContact O-N 3.27Å; E187-A190 PolarHBondContact O-N 3Å; A190-L193 PolarHBondContact O-N 3.32Å; A190-K194 WeakPolarHBondContact O-CG 3.46Å; A190-K194 PolarHBondContact O-N 3.45Å
191	D	90.9	Very high	89	Confident	23 Å²	23	74 Å²	74	12%	0.123	38%	0.377	C	S	.	.	H	α-helix	trans	-60.9	-45.9	173.6	-178.8	76.2	0	0	0	111.4	Y87 S89 Y90 Y180 E187 L193 K194 R195	Y87-D191 PolarHBondContact OH-OD2 2.77Å; S89-D191 WeakPolarHBondContact CA-OD1 3.43Å; S89-D191 WeakPolarHBondContact CB-OD1 3.43Å; Y90-D191 WeakPolarHBondContact CD1-OD1 3.5Å; Y90-D191 PolarHBondContact N-OD1 3.01Å; Y180-D191 HydrophobicContact CE1-CB 4.02Å; Y180-D191 VanDerWaalsContact CE1-OD2 3.26Å; Y180-D191 WeakPolarHBondContact CE1-OD2 2.88Å; Y180-D191 PolarHBondContact OH-OD2 3.28Å; E187-D191 WeakPolarHBondContact O-CB 3.37Å; E187-D191 PolarHBondContact O-N 3.26Å; D191-L193 VanDerWaalsContact C-N 3.34Å; D191-L193 PolarHBondContact O-N 2.95Å; D191-K194 PolarHBondContact O-N 3.02Å; D191-R195 PolarHBondContact O-N 3.46Å
192	F	90.4	Very high	89.8	Confident	5 Å²	5	71.5 Å²	71.5	2%	0.022	36%	0.362	C	S	.	.	H	α-helix	trans	-66.1	-35.9	-178.4	-160.9	-88	0	0	0	112.6	P49 A50 I170 K174 Y180 A188 V189 R195 I196	P49-F192 HydrophobicContact CB-CE1 3.84Å; P49-F192 HydrophobicContact CB-CZ 3.64Å; A50-F192 HydrophobicContact CB-CE1 3.61Å; A50-F192 HydrophobicContact CB-CZ 4.31Å; I170-F192 HydrophobicContact CD1-CD1 4.01Å; I170-F192 HydrophobicContact CG1-CD1 3.79Å; I170-F192 HydrophobicContact CG1-CE1 4.12Å; I170-F192 HydrophobicContact CG2-CD1 4.49Å; K174-F192 HydrophobicContact CB-CD2 4.26Å; K174-F192 HydrophobicContact CB-CE2 4.1Å; K174-F192 HydrophobicContact CB-CZ 4.34Å; K174-F192 HydrophobicContact CD-CE2 3.92Å; K174-F192 HydrophobicContact CD-CZ 3.91Å; K174-F192 HydrophobicContact CG-CD2 4.46Å; K174-F192 HydrophobicContact CG-CE1 4.16Å; K174-F192 HydrophobicContact CG-CE2 3.85Å; K174-F192 HydrophobicContact CG-CZ 3.68Å; Y180-F192 AromaticContact CE2-CD2 3.72Å; Y180-F192 HydrophobicContact CE2-CD2 3.72Å; Y180-F192 HydrophobicContact CE2-CE2 4.46Å; Y180-F192 AromaticContact CZ-CD2 3.94Å; Y180-F192 WeakPolarHBondContact OH-CD2 3.5Å; A188-F192 VanDerWaalsContact O-CB 3.25Å; A188-F192 WeakPolarHBondContact O-CB 3.06Å; A188-F192 PolarHBondContact O-N 3.28Å; V189-F192 PolarHBondContact O-N 2.85Å; F192-R195 WeakPolarHBondContact O-CB 3.27Å; F192-R195 PolarHBondContact O-N 2.95Å; F192-I196 HydrophobicContact CD1-CD1 3.89Å; F192-I196 HydrophobicContact CD1-CG1 4.19Å; F192-I196 HydrophobicContact CE1-CD1 3.89Å; F192-I196 HydrophobicContact CE1-CG1 4.05Å; F192-I196 WeakPolarHBondContact O-CG1 3.49Å; F192-I196 PolarHBondContact O-N 3.06Å
193	L	91	Very high	90.6	Very high	81 Å²	81	66 Å²	66	42%	0.424	33%	0.329	S	S	.	.	H	α-helix	trans	-63	-45.4	173	-72.6	173	0	0	0	111.2	I170 V189 A190 D191 R195 I196 E197	I170-L193 HydrophobicContact CD1-CD2 3.85Å; I170-L193 HydrophobicContact CD1-CG 4.42Å; V189-L193 HydrophobicContact CG1-CD1 4.04Å; V189-L193 HydrophobicContact CG1-CG 4.41Å; V189-L193 WeakPolarHBondContact O-CG 3.49Å; V189-L193 PolarHBondContact O-N 3.49Å; A190-L193 PolarHBondContact O-N 3.32Å; D191-L193 VanDerWaalsContact C-N 3.34Å; D191-L193 PolarHBondContact O-N 2.95Å; L193-R195 VanDerWaalsContact C-N 3.29Å; L193-R195 PolarHBondContact O-N 3.42Å; L193-I196 HydrophobicContact CD2-CD1 4.47Å; L193-I196 WeakPolarHBondContact O-CB 3.36Å; L193-I196 PolarHBondContact O-N 3.42Å; L193-I196 VanDerWaalsContact O-N 3.09Å; L193-E197 PolarHBondContact O-N 3.04Å; L193-E197 VanDerWaalsContact O-N 3.1Å
194	K	93.3	Very high	91.4	Very high	105 Å²	105	66.4 Å²	66.4	46%	0.457	33%	0.329	S	S	.	.	H	α-helix	trans	-61.4	-38.1	174.5	-67.6	175	-174.4	173.6	0	112	Y90 A190 D191 I196 E197 C198	Y90-K194 HydrophobicContact CD1-CB 3.93Å; Y90-K194 HydrophobicContact CD1-CD 3.78Å; Y90-K194 HydrophobicContact CD2-CB 3.61Å; Y90-K194 HydrophobicContact CD2-CD 4.45Å; Y90-K194 HydrophobicContact CE1-CB 4.36Å; Y90-K194 HydrophobicContact CE1-CD 3.54Å; Y90-K194 HydrophobicContact CE2-CB 4.04Å; Y90-K194 HydrophobicContact CE2-CD 4.21Å; Y90-K194 HydrophobicContact CG-CB 3.55Å; Y90-K194 HydrophobicContact CG-CD 4.26Å; A190-K194 WeakPolarHBondContact O-CG 3.46Å; A190-K194 PolarHBondContact O-N 3.45Å; D191-K194 PolarHBondContact O-N 3.02Å; K194-I196 VanDerWaalsContact C-N 3.32Å; K194-I196 PolarHBondContact O-N 3.02Å; K194-E197 WeakPolarHBondContact O-CB 3.49Å; K194-E197 PolarHBondContact O-N 2.89Å; K194-E197 VanDerWaalsContact O-N 3.16Å; K194-C198 PolarHBondContact O-N 3.4Å; K194-C198 PolarHBondContact O-SG 2.57Å; K194-C198 VanDerWaalsContact O-SG 3.38Å
195	R	92.7	Very high	91.9	Very high	28 Å²	28	65.1 Å²	65.1	11%	0.106	33%	0.326	C	S	.	.	H	α-helix	trans	-60.4	-40.5	173.3	177.5	179.3	178.6	177.6	1.1	111.8	F93 D179 D191 F192 L193 E197 C198 Y199	F93-R195 HydrophobicContact CB-CG 4.28Å; F93-R195 HydrophobicContact CD2-CB 4.48Å; F93-R195 HydrophobicContact CD2-CG 3.68Å; F93-R195 VanDerWaalsContact CE1-NH2 3.35Å; F93-R195 HydrophobicContact CE2-CG 4.19Å; F93-R195 HydrophobicContact CG-CG 3.9Å; F93-R195 VanDerWaalsContact CZ-NH2 3.25Å; D179-R195 IonicContact OD2-NH1 3.99Å; D179-R195 PolarHBondContact OD2-NH1 2.98Å; D179-R195 VanDerWaalsContact OD2-NH1 3.09Å; D191-R195 PolarHBondContact O-N 3.46Å; F192-R195 WeakPolarHBondContact O-CB 3.27Å; F192-R195 PolarHBondContact O-N 2.95Å; L193-R195 VanDerWaalsContact C-N 3.29Å; L193-R195 PolarHBondContact O-N 3.42Å; R195-E197 VanDerWaalsContact C-N 3.33Å; R195-C198 WeakPolarHBondContact O-CB 3.28Å; R195-C198 PolarHBondContact O-N 2.76Å; R195-Y199 HydrophobicContact CG-CD2 4.48Å; R195-Y199 HydrophobicContact CG-CE2 4.26Å; R195-Y199 VanDerWaalsContact O-CD2 3.31Å; R195-Y199 WeakPolarHBondContact O-CD2 3.38Å; R195-Y199 PolarHBondContact O-N 3.04Å
196	I	92.8	Very high	92.5	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-44.5	174.1	-69.4	166.7	0	0	0	110.4	P49 A50 I166 I170 F192 L193 K194 C198 Y199 K200	P49-I196 HydrophobicContact CB-CG1 3.94Å; P49-I196 HydrophobicContact CG-CG1 4.29Å; A50-I196 HydrophobicContact CB-CD1 4.4Å; I166-I196 HydrophobicContact CG2-CD1 4.41Å; I170-I196 HydrophobicContact CD1-CD1 4.24Å; F192-I196 HydrophobicContact CD1-CD1 3.89Å; F192-I196 HydrophobicContact CD1-CG1 4.19Å; F192-I196 HydrophobicContact CE1-CD1 3.89Å; F192-I196 HydrophobicContact CE1-CG1 4.05Å; F192-I196 WeakPolarHBondContact O-CG1 3.49Å; F192-I196 PolarHBondContact O-N 3.06Å; L193-I196 HydrophobicContact CD2-CD1 4.47Å; L193-I196 WeakPolarHBondContact O-CB 3.36Å; L193-I196 PolarHBondContact O-N 3.42Å; L193-I196 VanDerWaalsContact O-N 3.09Å; K194-I196 VanDerWaalsContact C-N 3.32Å; K194-I196 PolarHBondContact O-N 3.02Å; I196-C198 VanDerWaalsContact C-N 3.32Å; I196-C198 PolarHBondContact O-N 3.45Å; I196-Y199 PolarHBondContact O-N 3.39Å; I196-Y199 VanDerWaalsContact O-N 3.08Å; I196-K200 HydrophobicContact CG2-CD 4.34Å; I196-K200 HydrophobicContact CG2-CG 4.35Å; I196-K200 PolarHBondContact O-N 3.37Å
197	E	94.4	Very high	93	Very high	97 Å²	97	53.6 Å²	53.6	45%	0.453	28%	0.276	S	S	.	.	H	α-helix	trans	-59.1	-40.5	177.9	-63.7	-51.9	128.1	0	0	112.2	L193 K194 R195 Y199 K200 M201	L193-E197 PolarHBondContact O-N 3.04Å; L193-E197 VanDerWaalsContact O-N 3.1Å; K194-E197 WeakPolarHBondContact O-CB 3.49Å; K194-E197 PolarHBondContact O-N 2.89Å; K194-E197 VanDerWaalsContact O-N 3.16Å; R195-E197 VanDerWaalsContact C-N 3.33Å; E197-Y199 VanDerWaalsContact C-N 3.27Å; E197-Y199 PolarHBondContact O-N 3.03Å; E197-K200 WeakPolarHBondContact O-CB 3.26Å; E197-K200 PolarHBondContact O-N 3.14Å; E197-K200 VanDerWaalsContact O-N 3.11Å; E197-K200 WeakPolarHBondContact OE1-CD 3.23Å; E197-K200 WeakPolarHBondContact OE1-CE 3.31Å; E197-K200 IonicContact OE1-NZ 3.25Å; E197-K200 PolarHBondContact OE1-NZ 3.16Å; E197-K200 WeakPolarHBondContact OE2-CD 3.25Å; E197-K200 IonicContact OE2-NZ 2.71Å; E197-M201 WeakPolarHBondContact O-CG 3.14Å; E197-M201 PolarHBondContact O-N 3.36Å
198	C	94.3	Very high	93.2	Very high	10 Å²	10	51.1 Å²	51.1	7%	0.068	27%	0.267	C	S	.	.	H	α-helix	trans	-55.9	-39.9	174	-63.4	0	0	0	0	113	F93 K194 R195 I196	F93-C198 HydrophobicContact CB-CB 4.22Å; K194-C198 PolarHBondContact O-N 3.4Å; K194-C198 PolarHBondContact O-SG 2.57Å; K194-C198 VanDerWaalsContact O-SG 3.38Å; R195-C198 WeakPolarHBondContact O-CB 3.28Å; R195-C198 PolarHBondContact O-N 2.76Å; I196-C198 VanDerWaalsContact C-N 3.32Å; I196-C198 PolarHBondContact O-N 3.45Å
199	Y	93.8	Very high	93.5	Very high	15 Å²	15	55.3 Å²	55.3	6%	0.059	30%	0.297	C	S	.	.	H	α-helix	trans	-75.5	-34	177.3	-78.7	-81	0	0	0	112.7	P49 F93 R104 T132 R195 I196 E197 M201 T202 Y203	P49-Y199 HydrophobicContact CG-CD2 3.58Å; P49-Y199 HydrophobicContact CG-CE2 3.94Å; P49-Y199 HydrophobicContact CG-CG 4.22Å; F93-Y199 HydrophobicContact CB-CE2 4.09Å; F93-Y199 AromaticContact CD1-CE2 3.77Å; F93-Y199 HydrophobicContact CD1-CE2 3.77Å; F93-Y199 AromaticContact CD1-CZ 3.89Å; F93-Y199 VanDerWaalsContact CD1-OH 3.3Å; F93-Y199 WeakPolarHBondContact CD1-OH 3.34Å; F93-Y199 HydrophobicContact CG-CE2 4.11Å; R104-Y199 PolarHBondContact NH2-OH 3.04Å; T132-Y199 HydrophobicContact CG2-CD1 4.09Å; T132-Y199 HydrophobicContact CG2-CE1 3.75Å; T132-Y199 HydrophobicContact CG2-CE2 4.47Å; T132-Y199 VanDerWaalsContact OG1-CE1 3.24Å; T132-Y199 WeakPolarHBondContact OG1-CE1 3.43Å; R195-Y199 HydrophobicContact CG-CD2 4.48Å; R195-Y199 HydrophobicContact CG-CE2 4.26Å; R195-Y199 VanDerWaalsContact O-CD2 3.31Å; R195-Y199 WeakPolarHBondContact O-CD2 3.38Å; R195-Y199 PolarHBondContact O-N 3.04Å; I196-Y199 PolarHBondContact O-N 3.39Å; I196-Y199 VanDerWaalsContact O-N 3.08Å; E197-Y199 VanDerWaalsContact C-N 3.27Å; E197-Y199 PolarHBondContact O-N 3.03Å; Y199-M201 VanDerWaalsContact C-N 3.25Å; Y199-M201 PolarHBondContact O-N 3.45Å; Y199-T202 PolarHBondContact O-N 3.11Å; Y199-Y203 WeakPolarHBondContact O-CB 3.38Å; Y199-Y203 PolarHBondContact O-N 2.9Å
200	K	94.5	Very high	93.8	Very high	96 Å²	96	61.5 Å²	61.5	42%	0.417	32%	0.32	S	S	.	.	H	α-helix	trans	-59.3	-36.7	177	-78	178.6	176.5	173.1	0	112.4	L48 I196 E197 T202 Y203	L48-K200 HydrophobicContact CD1-CG 3.67Å; L48-K200 HydrophobicContact CD2-CG 4.15Å; I196-K200 HydrophobicContact CG2-CD 4.34Å; I196-K200 HydrophobicContact CG2-CG 4.35Å; I196-K200 PolarHBondContact O-N 3.37Å; E197-K200 WeakPolarHBondContact O-CB 3.26Å; E197-K200 PolarHBondContact O-N 3.14Å; E197-K200 VanDerWaalsContact O-N 3.11Å; E197-K200 WeakPolarHBondContact OE1-CD 3.23Å; E197-K200 WeakPolarHBondContact OE1-CE 3.31Å; E197-K200 IonicContact OE1-NZ 3.25Å; E197-K200 PolarHBondContact OE1-NZ 3.16Å; E197-K200 WeakPolarHBondContact OE2-CD 3.25Å; E197-K200 IonicContact OE2-NZ 2.71Å; K200-T202 PolarHBondContact O-N 3.39Å; K200-Y203 PolarHBondContact O-N 2.89Å
201	M	93.9	Very high	94.2	Very high	143 Å²	143	60.8 Å²	60.8	70%	0.704	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.4	179.5	-66.3	175.5	71.6	0	0	114.2	P95 E197 Y199	P95-M201 HydrophobicContact CG-CE 4.25Å; P95-M201 HydrophobicContact CG-SD 4.3Å; E197-M201 WeakPolarHBondContact O-CG 3.14Å; E197-M201 PolarHBondContact O-N 3.36Å; Y199-M201 VanDerWaalsContact C-N 3.25Å; Y199-M201 PolarHBondContact O-N 3.45Å
202	T	93.9	Very high	94.4	Very high	57 Å²	57	68 Å²	68	35%	0.35	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	5.1	-175.4	54.9	0	0	0	0	112.8	P95 Y199 K200 V204	P95-T202 HydrophobicContact CB-CG2 3.94Å; P95-T202 HydrophobicContact CG-CG2 4.48Å; Y199-T202 PolarHBondContact O-N 3.11Å; K200-T202 PolarHBondContact O-N 3.39Å; T202-V204 PolarHBondContact O-N 2.93Å
203	Y	97.1	Very high	94.7	Very high	48 Å²	48	71.1 Å²	71.1	19%	0.188	36%	0.358	C	S	.	.			trans	-75.7	118	-176.4	176.3	-145.5	0	0	0	110.8	L48 T134 E157 Y199 K200 P205	L48-Y203 HydrophobicContact CD1-CD1 3.99Å; L48-Y203 HydrophobicContact CD1-CE1 4.3Å; L48-Y203 HydrophobicContact CD2-CD1 3.8Å; L48-Y203 HydrophobicContact CD2-CG 3.94Å; L48-Y203 HydrophobicContact CG-CD1 3.74Å; L48-Y203 HydrophobicContact CG-CE1 4.02Å; L48-Y203 HydrophobicContact CG-CG 4.32Å; T134-Y203 HydrophobicContact CG2-CD2 3.57Å; T134-Y203 HydrophobicContact CG2-CE2 4.07Å; T134-Y203 HydrophobicContact CG2-CG 4.11Å; T134-Y203 WeakPolarHBondContact O-CD2 3.47Å; E157-Y203 PolarHBondContact OE1-OH 3.33Å; Y199-Y203 WeakPolarHBondContact O-CB 3.38Å; Y199-Y203 PolarHBondContact O-N 2.9Å; K200-Y203 PolarHBondContact O-N 2.89Å; Y203-P205 HydrophobicContact CE1-CB 4.47Å; Y203-P205 HydrophobicContact CE2-CB 4.06Å
204	V	97.2	Very high	95	Very high	70 Å²	70	68.5 Å²	68.5	42%	0.424	34%	0.344	S	S	.	.			trans	-114	106.7	168.3	-174.7	0	0	0	0	107.2	T134 P136 R139 T202	T134-V204 PolarHBondContact O-N 3.32Å; T134-V204 VanDerWaalsContact O-O 3.14Å; P136-V204 HydrophobicContact CG-CB 3.89Å; P136-V204 HydrophobicContact CG-CG1 3.99Å; P136-V204 HydrophobicContact CG-CG2 4.17Å; R139-V204 PolarHBondContact NH1-O 2.76Å; R139-V204 PolarHBondContact NH2-O 2.79Å; T202-V204 PolarHBondContact O-N 2.93Å
205	P	97.4	Very high	95.3	Very high	58 Å²	58	63.7 Å²	63.7	38%	0.377	32%	0.324	S	S	.	.			trans	-60.2	163.6	177.1	26.5	-33.8	0	0	0	110.8	E157 Y203 D207	E157-P205 VanDerWaalsContact OE1-CA 3.23Å; E157-P205 WeakPolarHBondContact OE1-CA 3.32Å; E157-P205 WeakPolarHBondContact OE1-CB 3.4Å; Y203-P205 HydrophobicContact CE1-CB 4.47Å; Y203-P205 HydrophobicContact CE2-CB 4.06Å; P205-D207 PolarHBondContact O-N 3.46Å
206	L	97.7	Very high	95.6	Very high	3 Å²	3	62.4 Å²	62.4	2%	0.016	32%	0.319	C	S	.	.			trans	-60	141.9	167.7	-68.1	166.7	0	0	0	108.4	F155 E157 D211 L214 Y216 K218	F155-L206 HydrophobicContact CB-CD1 3.82Å; F155-L206 HydrophobicContact CG-CD1 4.35Å; E157-L206 HydrophobicContact CB-CD1 4.06Å; E157-L206 PolarHBondContact OE1-N 2.72Å; E157-L206 WeakPolarHBondContact OE2-CB 3.22Å; E157-L206 PolarHBondContact OE2-N 3.47Å; E157-L206 VanDerWaalsContact OE2-N 3.16Å; L206-D211 WeakPolarHBondContact CA-OD2 3.45Å; L206-D211 HydrophobicContact CD2-CB 4.38Å; L206-L214 HydrophobicContact CD2-CD1 4.33Å; L206-Y216 HydrophobicContact CD1-CD1 4.42Å; L206-Y216 HydrophobicContact CD1-CD2 4.14Å; L206-Y216 HydrophobicContact CD1-CG 3.93Å; L206-K218 WeakPolarHBondContact O-CE 3.24Å; L206-K218 PolarHBondContact O-NZ 2.85Å
207	D	96.6	Very high	95.8	Very high	59 Å²	59	62.2 Å²	62.2	32%	0.316	32%	0.318	S	S	.	.			trans	-114.3	130.3	-176.4	-179.6	-78	0	0	0	110.7	P205 S209 K210 D211	P205-D207 PolarHBondContact O-N 3.46Å; D207-S209 PolarHBondContact O-N 3.21Å; D207-S209 WeakPolarHBondContact OD1-CA 3.43Å; D207-S209 WeakPolarHBondContact OD1-CB 3.19Å; D207-S209 PolarHBondContact OD1-N 2.99Å; D207-K210 HydrophobicContact CB-CB 4.05Å; D207-K210 HydrophobicContact CB-CD 4.35Å; D207-K210 HydrophobicContact CB-CG 4.34Å; D207-K210 PolarHBondContact OD1-N 3.24Å; D207-D211 PolarHBondContact N-OD2 3.38Å; D207-D211 WeakPolarHBondContact O-CA 3.46Å; D207-D211 VanDerWaalsContact O-CB 3.23Å; D207-D211 WeakPolarHBondContact O-CB 3.29Å; D207-D211 PolarHBondContact O-N 3.32Å
208	D	91.9	Very high	96	Very high	79 Å²	79	58.1 Å²	58.1	42%	0.422	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.9	-171.9	-57.9	-18.9	0	0	0	112.6	Y216 K218 L227	D208-Y216 PolarHBondContact OD1-OH 3.14Å; D208-K218 IonicContact OD1-NZ 2.66Å; D208-K218 PolarHBondContact OD1-NZ 2.84Å; D208-L227 WeakPolarHBondContact OD2-CD1 3.35Å
209	S	93.3	Very high	96.1	Very high	92 Å²	92	58 Å²	58	64%	0.643	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-47.3	-179.2	-62.5	0	0	0	0	112	D207 R212	D207-S209 PolarHBondContact O-N 3.21Å; D207-S209 WeakPolarHBondContact OD1-CA 3.43Å; D207-S209 WeakPolarHBondContact OD1-CB 3.19Å; D207-S209 PolarHBondContact OD1-N 2.99Å; S209-R212 WeakPolarHBondContact O-CD 3.09Å; S209-R212 WeakPolarHBondContact O-CG 3.44Å
210	K	93.8	Very high	96.2	Very high	172 Å²	172	58.8 Å²	58.8	75%	0.748	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-39.4	-176.9	-59.2	175.6	-176	173.4	0	111.8	D207 R212	D207-K210 HydrophobicContact CB-CB 4.05Å; D207-K210 HydrophobicContact CB-CD 4.35Å; D207-K210 HydrophobicContact CB-CG 4.34Å; D207-K210 PolarHBondContact OD1-N 3.24Å; K210-R212 VanDerWaalsContact C-N 3.33Å
211	D	96.4	Very high	95.9	Very high	31 Å²	31	57.1 Å²	57.1	17%	0.166	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	16.7	-178.9	-60.5	-48.5	0	0	0	112.7	L206 D207 S213 L214 Y216	L206-D211 WeakPolarHBondContact CA-OD2 3.45Å; L206-D211 HydrophobicContact CD2-CB 4.38Å; D207-D211 PolarHBondContact N-OD2 3.38Å; D207-D211 WeakPolarHBondContact O-CA 3.46Å; D207-D211 VanDerWaalsContact O-CB 3.23Å; D207-D211 WeakPolarHBondContact O-CB 3.29Å; D207-D211 PolarHBondContact O-N 3.32Å; D211-S213 PolarHBondContact O-N 2.99Å; D211-L214 HydrophobicContact CB-CB 4.49Å; D211-L214 HydrophobicContact CB-CD1 3.84Å; D211-L214 HydrophobicContact CB-CG 4.12Å; D211-L214 WeakPolarHBondContact O-CB 3.47Å; D211-L214 PolarHBondContact O-N 3.46Å; D211-Y216 HydrophobicContact CB-CE1 4.3Å
212	R	96.1	Very high	95.4	Very high	174 Å²	174	52.5 Å²	52.5	66%	0.657	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-23.5	-177	69.4	-179.6	-177.9	170.2	-1	114.8	S209 K210 N229 R230	S209-R212 WeakPolarHBondContact O-CD 3.09Å; S209-R212 WeakPolarHBondContact O-CG 3.44Å; K210-R212 VanDerWaalsContact C-N 3.33Å; R212-N229 PolarHBondContact O-ND2 3.23Å; R212-R230 WeakPolarHBondContact O-CD 3.25Å; R212-R230 PolarHBondContact O-NE 3.11Å
213	S	96.6	Very high	95.1	Very high	70 Å²	70	50.8 Å²	50.8	49%	0.49	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-17.5	179.1	56	0	0	0	0	113.9	D211	D211-S213 PolarHBondContact O-N 2.99Å
214	L	98.1	Very high	94.7	Very high	26 Å²	26	52.6 Å²	52.6	14%	0.136	29%	0.289	C	S	.	.	S	Bend	trans	-81.8	155.8	-177.6	-54.7	-171.9	0	0	0	111.5	L143 F155 L206 D211 Y216 N229	L143-L214 HydrophobicContact CD1-CD1 4.25Å; L143-L214 HydrophobicContact CD1-CD2 3.89Å; L143-L214 HydrophobicContact CD2-CD2 4.09Å; F155-L214 HydrophobicContact CD2-CD1 4.46Å; F155-L214 HydrophobicContact CE2-CB 4.45Å; F155-L214 HydrophobicContact CE2-CD1 3.94Å; L206-L214 HydrophobicContact CD2-CD1 4.33Å; D211-L214 HydrophobicContact CB-CB 4.49Å; D211-L214 HydrophobicContact CB-CD1 3.84Å; D211-L214 HydrophobicContact CB-CG 4.12Å; D211-L214 WeakPolarHBondContact O-CB 3.47Å; D211-L214 PolarHBondContact O-N 3.46Å; L214-Y216 HydrophobicContact CB-CD1 4.07Å; L214-N229 PolarHBondContact O-ND2 3.16Å
215	S	98.5	Very high	94.6	Very high	5 Å²	5	55.2 Å²	55.2	4%	0.035	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	119.1	176.1	-47.3	0	0	0	0	108.6	F154 F155 N229 R230 Q232	F154-S215 WeakPolarHBondContact CA-O 3.34Å; F155-S215 PolarHBondContact N-O 3.35Å; S215-N229 WeakPolarHBondContact CA-O 3.1Å; S215-R230 VanDerWaalsContact CB-O 3.23Å; S215-R230 WeakPolarHBondContact CB-O 3.23Å; S215-R230 PolarHBondContact OG-O 2.99Å; S215-R230 VanDerWaalsContact OG-O 3.04Å; S215-Q232 WeakPolarHBondContact OG-CG 3.34Å; S215-Q232 PolarHBondContact OG-NE2 3.3Å
216	Y	98.6	Very high	94.6	Very high	1 Å²	1	55 Å²	55	0%	0.004	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	162.8	-175.2	65.3	-97.7	0	0	0	114.5	F155 L206 D208 D211 L214 K218 L227 V228 N229	F155-Y216 CarbonylContact O-C 3.6Å; F155-Y216 WeakPolarHBondContact O-CA 3.47Å; F155-Y216 WeakPolarHBondContact O-CB 3.37Å; L206-Y216 HydrophobicContact CD1-CD1 4.42Å; L206-Y216 HydrophobicContact CD1-CD2 4.14Å; L206-Y216 HydrophobicContact CD1-CG 3.93Å; D208-Y216 PolarHBondContact OD1-OH 3.14Å; D211-Y216 HydrophobicContact CB-CE1 4.3Å; L214-Y216 HydrophobicContact CB-CD1 4.07Å; Y216-K218 HydrophobicContact CD2-CG 4.01Å; Y216-K218 HydrophobicContact CE2-CD 4.14Å; Y216-K218 HydrophobicContact CE2-CG 4.01Å; Y216-L227 HydrophobicContact CE2-CD2 3.55Å; Y216-V228 WeakPolarHBondContact O-CA 3.38Å; Y216-N229 HydrophobicContact CD1-CB 3.83Å; Y216-N229 HydrophobicContact CD2-CB 4.17Å; Y216-N229 HydrophobicContact CE1-CB 3.42Å; Y216-N229 VanDerWaalsContact CE1-CB 3.42Å; Y216-N229 WeakPolarHBondContact CE1-ND2 3.46Å; Y216-N229 HydrophobicContact CE2-CB 3.78Å; Y216-N229 HydrophobicContact CG-CB 4.18Å; Y216-N229 PolarHBondContact N-O 3.27Å; Y216-N229 PolarHBondContact O-N 2.99Å
217	I	98.6	Very high	94.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.4	165.3	178.2	165	0	0	0	109.4	F154 F155 V156 E157 I219 Y226 L227 V228 V240 L243	F154-I217 HydrophobicContact CE1-CG2 3.74Å; F154-I217 HydrophobicContact CZ-CB 4.11Å; F154-I217 HydrophobicContact CZ-CG2 3.74Å; F155-I217 PolarHBondContact O-N 3.18Å; V156-I217 HydrophobicContact CB-CG2 4.2Å; V156-I217 HydrophobicContact CG1-CG2 4.11Å; V156-I217 HydrophobicContact CG2-CG2 3.82Å; E157-I217 PolarHBondContact N-O 3.18Å; I217-I219 HydrophobicContact CD1-CG1 4.37Å; I217-I219 HydrophobicContact CG1-CG1 4.11Å; I217-Y226 HydrophobicContact CD1-CD1 3.94Å; I217-Y226 HydrophobicContact CG1-CD1 4.44Å; I217-L227 CarbonylContact C-O 3.48Å; I217-L227 VanDerWaalsContact CA-O 3.31Å; I217-L227 WeakPolarHBondContact CA-O 3.46Å; I217-V228 HydrophobicContact CB-CG2 4.39Å; I217-V228 HydrophobicContact CD1-CG2 4.03Å; I217-V228 HydrophobicContact CG1-CG2 4.04Å; I217-V240 HydrophobicContact CB-CG2 4.47Å; I217-V240 HydrophobicContact CD1-CG1 4.25Å; I217-V240 HydrophobicContact CD1-CG2 4.28Å; I217-L243 HydrophobicContact CD1-CB 4.24Å; I217-L243 HydrophobicContact CD1-CD1 4.38Å; I217-L243 HydrophobicContact CG2-CD1 3.89Å
218	K	98.1	Very high	94.6	Very high	12 Å²	12	56.8 Å²	56.8	5%	0.052	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131	167.2	-61	176.4	174.6	170	0	109.1	E157 I159 L206 D208 Y216 F220 Y226 L227	E157-K218 HydrophobicContact CB-CG 4.2Å; E157-K218 CarbonylContact O-C 3.58Å; E157-K218 WeakPolarHBondContact O-CA 3.34Å; E157-K218 WeakPolarHBondContact OE2-CE 3.49Å; I159-K218 HydrophobicContact CD1-CB 4.4Å; I159-K218 HydrophobicContact CD1-CD 4.29Å; I159-K218 HydrophobicContact CD1-CG 4.49Å; L206-K218 WeakPolarHBondContact O-CE 3.24Å; L206-K218 PolarHBondContact O-NZ 2.85Å; D208-K218 IonicContact OD1-NZ 2.66Å; D208-K218 PolarHBondContact OD1-NZ 2.84Å; Y216-K218 HydrophobicContact CD2-CG 4.01Å; Y216-K218 HydrophobicContact CE2-CD 4.14Å; Y216-K218 HydrophobicContact CE2-CG 4.01Å; K218-F220 HydrophobicContact CB-CD2 4.34Å; K218-F220 HydrophobicContact CB-CE2 3.57Å; K218-F220 HydrophobicContact CB-CZ 3.91Å; K218-F220 HydrophobicContact CD-CE2 4.3Å; K218-F220 HydrophobicContact CD-CZ 3.93Å; K218-Y226 CarbonylContact O-C 3.57Å; K218-Y226 VanDerWaalsContact O-CA 3.29Å; K218-Y226 WeakPolarHBondContact O-CA 3.21Å; K218-L227 HydrophobicContact CB-CB 4.2Å; K218-L227 HydrophobicContact CD-CB 4.44Å; K218-L227 HydrophobicContact CD-CD2 4.41Å; K218-L227 PolarHBondContact N-O 2.96Å; K218-L227 PolarHBondContact O-N 2.93Å
219	I	96.7	Very high	94.9	Very high	8 Å²	8	54.6 Å²	54.6	4%	0.041	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	116	179.1	-53.5	175.3	0	0	0	107.4	I56 V156 E157 I159 I217 Y226 L243	I56-I219 HydrophobicContact CD1-CD1 4.03Å; V156-I219 HydrophobicContact CG1-CD1 4.05Å; E157-I219 PolarHBondContact O-N 2.91Å; I159-I219 PolarHBondContact N-O 3.14Å; I217-I219 HydrophobicContact CD1-CG1 4.37Å; I217-I219 HydrophobicContact CG1-CG1 4.11Å; I219-Y226 HydrophobicContact CB-CD1 4.4Å; I219-Y226 HydrophobicContact CB-CE1 4.34Å; I219-Y226 HydrophobicContact CD1-CE1 4.49Å; I219-Y226 HydrophobicContact CG1-CD1 3.96Å; I219-Y226 HydrophobicContact CG1-CE1 3.98Å; I219-Y226 HydrophobicContact CG2-CD1 4.26Å; I219-Y226 HydrophobicContact CG2-CE1 3.79Å; I219-L243 HydrophobicContact CD1-CB 4.23Å; I219-L243 HydrophobicContact CD1-CD1 4.31Å; I219-L243 HydrophobicContact CD1-CD2 4.38Å
220	F	94.5	Very high	95.1	Very high	31 Å²	31	57.3 Å²	57.3	14%	0.136	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	132.1	-177.2	-63.2	-90.8	0	0	0	111	I159 K218 V222 G223 S224 R225 L227	I159-F220 HydrophobicContact CB-CD1 3.93Å; I159-F220 HydrophobicContact CB-CE1 4.19Å; I159-F220 HydrophobicContact CD1-CD1 4.09Å; I159-F220 HydrophobicContact CD1-CE1 3.45Å; I159-F220 VanDerWaalsContact CD1-CE1 3.45Å; I159-F220 HydrophobicContact CD1-CZ 3.81Å; I159-F220 HydrophobicContact CG1-CE1 4.37Å; I159-F220 HydrophobicContact CG2-CD1 3.99Å; I159-F220 HydrophobicContact CG2-CE1 4.19Å; I159-F220 CarbonylContact O-C 3.52Å; I159-F220 VanDerWaalsContact O-CA 3.31Å; I159-F220 WeakPolarHBondContact O-CA 3.28Å; K218-F220 HydrophobicContact CB-CD2 4.34Å; K218-F220 HydrophobicContact CB-CE2 3.57Å; K218-F220 HydrophobicContact CB-CZ 3.91Å; K218-F220 HydrophobicContact CD-CE2 4.3Å; K218-F220 HydrophobicContact CD-CZ 3.93Å; F220-V222 VanDerWaalsContact C-N 3.32Å; F220-V222 PolarHBondContact O-N 3.14Å; F220-G223 PolarHBondContact O-N 3.4Å; F220-G223 VanDerWaalsContact O-N 3.14Å; F220-S224 PolarHBondContact O-N 3.3Å; F220-S224 PolarHBondContact O-OG 2.95Å; F220-R225 HydrophobicContact CB-CB 4.14Å; F220-R225 VanDerWaalsContact CD1-NH2 3.32Å; F220-R225 HydrophobicContact CD2-CB 4.32Å; F220-R225 HydrophobicContact CD2-CG 4.38Å; F220-R225 WeakPolarHBondContact CD2-O 3.47Å; F220-R225 VanDerWaalsContact CE2-CZ 3.47Å; F220-R225 VanDerWaalsContact CE2-NH2 3.31Å; F220-R225 PolarHBondContact N-O 3.28Å; F220-R225 PolarHBondContact O-N 2.7Å; F220-L227 HydrophobicContact CE2-CB 4.1Å
221	N	88.8	Confident	95.3	Very high	60 Å²	60	52 Å²	52	32%	0.321	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	41.4	58.2	178.2	-55.7	-37.2	0	0	0	112	I159 C160 D161 G223 S224	I159-N221 PolarHBondContact O-N 3.32Å; C160-N221 WeakPolarHBondContact CA-OD1 3.32Å; D161-N221 PolarHBondContact N-OD1 2.94Å; N221-G223 VanDerWaalsContact C-N 3.27Å; N221-G223 PolarHBondContact O-N 2.89Å; N221-S224 WeakPolarHBondContact CB-OG 3.35Å; N221-S224 PolarHBondContact O-N 3.13Å
222	V	84.2	Confident	95.3	Very high	46 Å²	46	55.8 Å²	55.8	28%	0.279	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	54.7	39.9	175.2	-157.5	0	0	0	0	114	I165 F220 V248	I165-V222 HydrophobicContact CD1-CG2 3.95Å; I165-V222 HydrophobicContact CG2-CG2 3.5Å; F220-V222 VanDerWaalsContact C-N 3.32Å; F220-V222 PolarHBondContact O-N 3.14Å; V222-V248 HydrophobicContact CB-CG2 4.35Å; V222-V248 HydrophobicContact CG1-CB 4.03Å; V222-V248 HydrophobicContact CG1-CG1 3.45Å; V222-V248 VanDerWaalsContact CG1-CG1 3.45Å; V222-V248 HydrophobicContact CG1-CG2 3.41Å; V222-V248 VanDerWaalsContact CG1-CG2 3.41Å
223	G	87.3	Confident	95.1	Very high	21 Å²	21	48.9 Å²	48.9	22%	0.216	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	102.1	6.7	171.7	0	0	0	0	0	115.1	F220 N221 R225 Y226	F220-G223 PolarHBondContact O-N 3.4Å; F220-G223 VanDerWaalsContact O-N 3.14Å; N221-G223 VanDerWaalsContact C-N 3.27Å; N221-G223 PolarHBondContact O-N 2.89Å; G223-R225 PolarHBondContact O-N 3.07Å; G223-Y226 VanDerWaalsContact CA-CZ 3.43Å; G223-Y226 WeakPolarHBondContact CA-OH 3.28Å; G223-Y226 WeakPolarHBondContact O-CE2 3.31Å
224	S	89.1	Confident	94.9	Very high	86 Å²	86	50.2 Å²	50.2	60%	0.601	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-31.8	172.4	68.7	0	0	0	0	113.4	F220 N221	F220-S224 PolarHBondContact O-N 3.3Å; F220-S224 PolarHBondContact O-OG 2.95Å; N221-S224 WeakPolarHBondContact CB-OG 3.35Å; N221-S224 PolarHBondContact O-N 3.13Å
225	R	94.7	Very high	94.7	Very high	125 Å²	125	49 Å²	49	47%	0.472	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	149.2	178.2	-176.7	175.5	67.3	88.8	-2.7	109.8	F220 G223	F220-R225 HydrophobicContact CB-CB 4.14Å; F220-R225 VanDerWaalsContact CD1-NH2 3.32Å; F220-R225 HydrophobicContact CD2-CB 4.32Å; F220-R225 HydrophobicContact CD2-CG 4.38Å; F220-R225 WeakPolarHBondContact CD2-O 3.47Å; F220-R225 VanDerWaalsContact CE2-CZ 3.47Å; F220-R225 VanDerWaalsContact CE2-NH2 3.31Å; F220-R225 PolarHBondContact N-O 3.28Å; F220-R225 PolarHBondContact O-N 2.7Å; G223-R225 PolarHBondContact O-N 3.07Å
226	Y	96.2	Very high	94.6	Very high	55 Å²	55	48.8 Å²	48.8	22%	0.216	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.2	176.4	-58.5	-90.8	0	0	0	110.2	I217 K218 I219 G223 L243 M244	I217-Y226 HydrophobicContact CD1-CD1 3.94Å; I217-Y226 HydrophobicContact CG1-CD1 4.44Å; K218-Y226 CarbonylContact O-C 3.57Å; K218-Y226 VanDerWaalsContact O-CA 3.29Å; K218-Y226 WeakPolarHBondContact O-CA 3.21Å; I219-Y226 HydrophobicContact CB-CD1 4.4Å; I219-Y226 HydrophobicContact CB-CE1 4.34Å; I219-Y226 HydrophobicContact CD1-CE1 4.49Å; I219-Y226 HydrophobicContact CG1-CD1 3.96Å; I219-Y226 HydrophobicContact CG1-CE1 3.98Å; I219-Y226 HydrophobicContact CG2-CD1 4.26Å; I219-Y226 HydrophobicContact CG2-CE1 3.79Å; G223-Y226 VanDerWaalsContact CA-CZ 3.43Å; G223-Y226 WeakPolarHBondContact CA-OH 3.28Å; G223-Y226 WeakPolarHBondContact O-CE2 3.31Å; Y226-L243 WeakPolarHBondContact CE1-O 3.43Å; Y226-L243 PolarHBondContact OH-O 2.97Å; Y226-L243 VanDerWaalsContact OH-O 3.06Å; Y226-M244 HydrophobicContact CD1-CG 3.96Å; Y226-M244 HydrophobicContact CD2-CE 4.49Å; Y226-M244 HydrophobicContact CD2-CG 4.09Å; Y226-M244 HydrophobicContact CE1-CG 4.06Å; Y226-M244 HydrophobicContact CE2-CB 4.46Å; Y226-M244 HydrophobicContact CE2-CG 4.23Å; Y226-M244 HydrophobicContact CG-CG 3.96Å
227	L	97.4	Very high	94.5	Very high	40 Å²	40	51.8 Å²	51.8	21%	0.209	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	124.1	165.4	-172.5	153.6	0	0	0	107.8	D208 Y216 I217 K218 F220	D208-L227 WeakPolarHBondContact OD2-CD1 3.35Å; Y216-L227 HydrophobicContact CE2-CD2 3.55Å; I217-L227 CarbonylContact C-O 3.48Å; I217-L227 VanDerWaalsContact CA-O 3.31Å; I217-L227 WeakPolarHBondContact CA-O 3.46Å; K218-L227 HydrophobicContact CB-CB 4.2Å; K218-L227 HydrophobicContact CD-CB 4.44Å; K218-L227 HydrophobicContact CD-CD2 4.41Å; K218-L227 PolarHBondContact N-O 2.96Å; K218-L227 PolarHBondContact O-N 2.93Å; F220-L227 HydrophobicContact CE2-CB 4.1Å
228	V	98.3	Very high	94.4	Very high	58 Å²	58	52.6 Å²	52.6	35%	0.352	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.5	-176.7	-176.2	0	0	0	0	108.6	Y216 I217 V231 V240	Y216-V228 WeakPolarHBondContact O-CA 3.38Å; I217-V228 HydrophobicContact CB-CG2 4.39Å; I217-V228 HydrophobicContact CD1-CG2 4.03Å; I217-V228 HydrophobicContact CG1-CG2 4.04Å; V228-V231 HydrophobicContact CG1-CG2 3.44Å; V228-V231 VanDerWaalsContact CG1-CG2 3.44Å; V228-V240 HydrophobicContact CG1-CG1 4.3Å; V228-V240 HydrophobicContact CG1-CG2 3.92Å; V228-V240 HydrophobicContact CG2-CG1 3.82Å; V228-V240 HydrophobicContact CG2-CG2 4.44Å
229	N	98.4	Very high	94.3	Very high	34 Å²	34	52 Å²	52	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132	178.7	-170.8	58.8	0	0	0	110.9	R212 L214 S215 Y216 V231	R212-N229 PolarHBondContact O-ND2 3.23Å; L214-N229 PolarHBondContact O-ND2 3.16Å; S215-N229 WeakPolarHBondContact CA-O 3.1Å; Y216-N229 HydrophobicContact CD1-CB 3.83Å; Y216-N229 HydrophobicContact CD2-CB 4.17Å; Y216-N229 HydrophobicContact CE1-CB 3.42Å; Y216-N229 VanDerWaalsContact CE1-CB 3.42Å; Y216-N229 WeakPolarHBondContact CE1-ND2 3.46Å; Y216-N229 HydrophobicContact CE2-CB 3.78Å; Y216-N229 HydrophobicContact CG-CB 4.18Å; Y216-N229 PolarHBondContact N-O 3.27Å; Y216-N229 PolarHBondContact O-N 2.99Å; N229-V231 PolarHBondContact O-N 3.48Å
230	R	97.3	Very high	94.4	Very high	149 Å²	149	52.4 Å²	52.4	56%	0.562	27%	0.269	S	S	*	.			trans	45.1	62.7	172.2	-67.4	-169.5	171.4	-156.7	-4.1	115.4	R212 S215 Q232	R212-R230 WeakPolarHBondContact O-CD 3.25Å; R212-R230 PolarHBondContact O-NE 3.11Å; S215-R230 VanDerWaalsContact CB-O 3.23Å; S215-R230 WeakPolarHBondContact CB-O 3.23Å; S215-R230 PolarHBondContact OG-O 2.99Å; S215-R230 VanDerWaalsContact OG-O 3.04Å; R230-Q232 WeakPolarHBondContact O-CG 3.41Å; R230-Q232 PolarHBondContact O-N 3.12Å
231	V	97.6	Very high	94.5	Very high	60 Å²	60	56.6 Å²	56.6	36%	0.364	29%	0.285	S	S	.	.			trans	-63.1	121.4	167.6	-178.5	0	0	0	0	109.3	V228 N229 Q236 V240	V228-V231 HydrophobicContact CG1-CG2 3.44Å; V228-V231 VanDerWaalsContact CG1-CG2 3.44Å; N229-V231 PolarHBondContact O-N 3.48Å; V231-Q236 HydrophobicContact CG1-CB 3.79Å; V231-V240 HydrophobicContact CG2-CG2 4.21Å
232	Q	95.3	Very high	94.9	Very high	110 Å²	110	53.8 Å²	53.8	51%	0.514	27%	0.27	S	S	.	.			trans	-94.9	-27.1	-170.7	-58.8	-178.4	-51.3	0	0	114	S215 R230	S215-Q232 WeakPolarHBondContact OG-CG 3.34Å; S215-Q232 PolarHBondContact OG-NE2 3.3Å; R230-Q232 WeakPolarHBondContact O-CG 3.41Å; R230-Q232 PolarHBondContact O-N 3.12Å
233	D	93.5	Very high	95.5	Very high	30 Å²	30	51.6 Å²	51.6	16%	0.16	26%	0.256	C	S	.	.	S	Bend	trans	-155.9	179.5	-172.9	61.1	22.8	0	0	0	113.2	K152 I235 Q236 S237	K152-D233 VanDerWaalsContact CD-OD2 3.28Å; K152-D233 WeakPolarHBondContact CD-OD2 3.49Å; K152-D233 IonicContact NZ-OD2 3.34Å; K152-D233 PolarHBondContact NZ-OD2 3.48Å; D233-I235 PolarHBondContact O-N 3.47Å; D233-I235 WeakPolarHBondContact OD1-CG2 3.38Å; D233-I235 PolarHBondContact OD1-N 3.09Å; D233-Q236 PolarHBondContact O-N 3.35Å; D233-Q236 WeakPolarHBondContact OD1-CB 3.28Å; D233-Q236 VanDerWaalsContact OD1-CG 3.28Å; D233-Q236 WeakPolarHBondContact OD1-CG 3.39Å; D233-Q236 PolarHBondContact OD1-N 3.14Å; D233-S237 PolarHBondContact O-N 2.81Å
234	H	92.2	Very high	95.9	Very high	98 Å²	98	55 Å²	55	45%	0.454	27%	0.268	S	S	.	.	H	α-helix	trans	-63	-40.5	-177.6	-174.6	76.2	0	0	0	112.5	F36 Q236 S237 R238	F36-H234 AromaticContact CD1-CD2 3.29Å; F36-H234 WeakPolarHBondContact CD1-CD2 3.31Å; F36-H234 AromaticContact CD1-NE2 3.6Å; F36-H234 AromaticContact CE1-CD2 3.84Å; F36-H234 AromaticContact CE1-NE2 3.62Å; H234-Q236 PolarHBondContact O-N 3.21Å; H234-S237 WeakPolarHBondContact O-CB 3.45Å; H234-S237 PolarHBondContact O-N 3.14Å; H234-R238 WeakPolarHBondContact NE2-CG 3.49Å; H234-R238 VanDerWaalsContact O-CG 3.26Å; H234-R238 WeakPolarHBondContact O-CG 3.37Å; H234-R238 PolarHBondContact O-N 2.95Å
235	I	93.7	Very high	96.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.6	-41.6	-179.9	-169.3	61.5	0	0	0	111.2	T37 L64 V69 V126 D233 S237 R238 I239	T37-I235 HydrophobicContact CG2-CB 4.08Å; T37-I235 HydrophobicContact CG2-CG1 4.13Å; T37-I235 HydrophobicContact CG2-CG2 4.01Å; L64-I235 HydrophobicContact CD2-CD1 3.68Å; V69-I235 HydrophobicContact CG1-CD1 4.23Å; V69-I235 HydrophobicContact CG2-CD1 4.16Å; V126-I235 HydrophobicContact CG2-CG1 4.26Å; D233-I235 PolarHBondContact O-N 3.47Å; D233-I235 WeakPolarHBondContact OD1-CG2 3.38Å; D233-I235 PolarHBondContact OD1-N 3.09Å; I235-S237 VanDerWaalsContact C-N 3.33Å; I235-S237 PolarHBondContact O-N 3.2Å; I235-R238 WeakPolarHBondContact O-CB 3.47Å; I235-R238 PolarHBondContact O-N 2.52Å; I235-I239 HydrophobicContact CG1-CD1 4.06Å; I235-I239 WeakPolarHBondContact O-CD1 3.48Å; I235-I239 WeakPolarHBondContact O-CG1 3.33Å; I235-I239 PolarHBondContact O-N 2.87Å
236	Q	96.9	Very high	95.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-38.9	174.3	-69.1	177.3	14.2	0	0	111.6	F154 V231 D233 H234 I239 V240	F154-Q236 HydrophobicContact CB-CG 4.15Å; F154-Q236 HydrophobicContact CD2-CB 4.23Å; F154-Q236 HydrophobicContact CD2-CG 3.79Å; F154-Q236 HydrophobicContact CE2-CB 4.31Å; F154-Q236 HydrophobicContact CE2-CG 4.36Å; F154-Q236 HydrophobicContact CG-CG 3.93Å; V231-Q236 HydrophobicContact CG1-CB 3.79Å; D233-Q236 PolarHBondContact O-N 3.35Å; D233-Q236 WeakPolarHBondContact OD1-CB 3.28Å; D233-Q236 VanDerWaalsContact OD1-CG 3.28Å; D233-Q236 WeakPolarHBondContact OD1-CG 3.39Å; D233-Q236 PolarHBondContact OD1-N 3.14Å; H234-Q236 PolarHBondContact O-N 3.21Å; Q236-I239 PolarHBondContact O-N 3.2Å; Q236-V240 WeakPolarHBondContact O-CG2 3.02Å; Q236-V240 PolarHBondContact O-N 2.9Å
237	S	96.7	Very high	95.3	Very high	64 Å²	64	46.3 Å²	46.3	45%	0.448	23%	0.226	S	C	.	.	H	α-helix	trans	-62.3	-43.1	174.5	-169.8	0	0	0	0	112.2	D233 H234 I235 V240 Y241	D233-S237 PolarHBondContact O-N 2.81Å; H234-S237 WeakPolarHBondContact O-CB 3.45Å; H234-S237 PolarHBondContact O-N 3.14Å; I235-S237 VanDerWaalsContact C-N 3.33Å; I235-S237 PolarHBondContact O-N 3.2Å; S237-V240 PolarHBondContact O-N 2.89Å; S237-Y241 WeakPolarHBondContact O-CB 3.46Å; S237-Y241 PolarHBondContact O-N 3.11Å
238	R	95.3	Very high	94.4	Very high	18 Å²	18	47.8 Å²	47.8	7%	0.068	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-44.6	175	-67.9	-95	-59.7	-84.3	-101.9	111.2	Y63 H234 I235 Y241 Y242 E375	Y63-R238 PolarHBondContact OH-NE 3.26Å; H234-R238 WeakPolarHBondContact NE2-CG 3.49Å; H234-R238 VanDerWaalsContact O-CG 3.26Å; H234-R238 WeakPolarHBondContact O-CG 3.37Å; H234-R238 PolarHBondContact O-N 2.95Å; I235-R238 WeakPolarHBondContact O-CB 3.47Å; I235-R238 PolarHBondContact O-N 2.52Å; R238-Y241 PolarHBondContact O-N 3.25Å; R238-Y242 WeakPolarHBondContact O-CB 3.4Å; R238-Y242 PolarHBondContact O-N 3.23Å; R238-E375 IonicContact CZ-OE1 3.38Å; R238-E375 IonicContact CZ-OE2 2.88Å; R238-E375 IonicContact NE-OE1 3.48Å; R238-E375 PolarHBondContact NE-OE1 2.7Å; R238-E375 IonicContact NH1-OE1 3.5Å; R238-E375 PolarHBondContact NH1-OE1 3.13Å; R238-E375 VanDerWaalsContact NH1-OE1 3.11Å; R238-E375 IonicContact NH1-OE2 3.26Å; R238-E375 PolarHBondContact NH1-OE2 3.42Å
239	I	97.3	Very high	93.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.6	-49.4	177.5	-68.9	157.7	0	0	0	110.2	I43 L60 L64 F154 I235 Q236 Y241 Y242 L243	I43-I239 HydrophobicContact CD1-CD1 3.49Å; I43-I239 VanDerWaalsContact CD1-CD1 3.49Å; I43-I239 HydrophobicContact CD1-CG1 4.23Å; I43-I239 HydrophobicContact CG1-CD1 4.29Å; L60-I239 HydrophobicContact CD1-CB 4.38Å; L60-I239 HydrophobicContact CD1-CG1 4.1Å; L60-I239 HydrophobicContact CD1-CG2 4.06Å; L60-I239 HydrophobicContact CD2-CG1 4.45Å; L60-I239 HydrophobicContact CD2-CG2 3.84Å; L64-I239 HydrophobicContact CD1-CG1 4.37Å; L64-I239 HydrophobicContact CD2-CG1 4.44Å; F154-I239 HydrophobicContact CD1-CG2 4.27Å; F154-I239 HydrophobicContact CE1-CB 4.49Å; F154-I239 HydrophobicContact CE1-CG2 3.78Å; I235-I239 HydrophobicContact CG1-CD1 4.06Å; I235-I239 WeakPolarHBondContact O-CD1 3.48Å; I235-I239 WeakPolarHBondContact O-CG1 3.33Å; I235-I239 PolarHBondContact O-N 2.87Å; Q236-I239 PolarHBondContact O-N 3.2Å; I239-Y241 PolarHBondContact O-N 3.26Å; I239-Y242 PolarHBondContact O-N 2.9Å; I239-L243 HydrophobicContact CG2-CD1 3.64Å; I239-L243 HydrophobicContact CG2-CG 4.25Å; I239-L243 WeakPolarHBondContact O-CB 3.37Å; I239-L243 WeakPolarHBondContact O-CG 3.33Å; I239-L243 PolarHBondContact O-N 2.81Å
240	V	97.9	Very high	92.8	Very high	16 Å²	16	51.7 Å²	51.7	10%	0.097	26%	0.264	C	S	.	.	H	α-helix	trans	-58.2	-48.9	177.5	167.8	0	0	0	0	110.8	F154 I217 V228 V231 Q236 S237 Y242 L243 M244	F154-V240 HydrophobicContact CZ-CG2 3.73Å; I217-V240 HydrophobicContact CB-CG2 4.47Å; I217-V240 HydrophobicContact CD1-CG1 4.25Å; I217-V240 HydrophobicContact CD1-CG2 4.28Å; V228-V240 HydrophobicContact CG1-CG1 4.3Å; V228-V240 HydrophobicContact CG1-CG2 3.92Å; V228-V240 HydrophobicContact CG2-CG1 3.82Å; V228-V240 HydrophobicContact CG2-CG2 4.44Å; V231-V240 HydrophobicContact CG2-CG2 4.21Å; Q236-V240 WeakPolarHBondContact O-CG2 3.02Å; Q236-V240 PolarHBondContact O-N 2.9Å; S237-V240 PolarHBondContact O-N 2.89Å; V240-Y242 PolarHBondContact O-N 3.42Å; V240-L243 PolarHBondContact O-N 2.78Å; V240-M244 HydrophobicContact CG1-CG 4.44Å; V240-M244 HydrophobicContact CG1-SD 3.73Å; V240-M244 VanDerWaalsContact O-CG 3.27Å; V240-M244 WeakPolarHBondContact O-CG 3.48Å; V240-M244 PolarHBondContact O-N 2.89Å
241	Y	96.7	Very high	92.5	Very high	119 Å²	119	45 Å²	45	47%	0.467	24%	0.239	S	C	.	.	H	α-helix	trans	-58.1	-45.8	178.8	175.7	-116.5	0	0	0	112.2	S237 R238 I239 M244 N245 M379	S237-Y241 WeakPolarHBondContact O-CB 3.46Å; S237-Y241 PolarHBondContact O-N 3.11Å; R238-Y241 PolarHBondContact O-N 3.25Å; I239-Y241 PolarHBondContact O-N 3.26Å; Y241-M244 PolarHBondContact O-N 3.35Å; Y241-N245 WeakPolarHBondContact CD2-ND2 3.4Å; Y241-N245 VanDerWaalsContact CE2-ND2 3.27Å; Y241-N245 WeakPolarHBondContact CE2-ND2 3.23Å; Y241-N245 PolarHBondContact O-N 3.09Å; Y241-N245 PolarHBondContact O-ND2 3.29Å; Y241-M379 HydrophobicContact CD1-SD 4.21Å; Y241-M379 HydrophobicContact CE1-CB 4.35Å; Y241-M379 HydrophobicContact CE1-CG 3.71Å; Y241-M379 HydrophobicContact CE1-SD 3.89Å
242	Y	97.2	Very high	92.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.9	-49.3	176.3	-179.9	-105.1	0	0	0	112.1	K59 L60 Y63 R238 I239 V240 M244 N245 I246 M379 E382 Y402	K59-Y242 HydrophobicContact CB-CE1 4.31Å; K59-Y242 PolarHBondContact O-OH 2.85Å; L60-Y242 HydrophobicContact CB-CE1 4.45Å; L60-Y242 HydrophobicContact CD1-CD1 3.67Å; L60-Y242 HydrophobicContact CD1-CE1 4.27Å; L60-Y242 HydrophobicContact CD1-CG 4.45Å; Y63-Y242 HydrophobicContact CD1-CD1 4.01Å; Y63-Y242 AromaticContact CD1-CD2 3.6Å; Y63-Y242 HydrophobicContact CD1-CD2 3.6Å; Y63-Y242 HydrophobicContact CD1-CE1 4.43Å; Y63-Y242 HydrophobicContact CD1-CE2 4.06Å; Y63-Y242 AromaticContact CD1-CG 3.55Å; Y63-Y242 HydrophobicContact CD1-CG 3.55Å; Y63-Y242 AromaticContact CD2-CD2 3.9Å; Y63-Y242 HydrophobicContact CD2-CD2 3.9Å; Y63-Y242 AromaticContact CD2-CE2 3.95Å; Y63-Y242 HydrophobicContact CD2-CE2 3.95Å; Y63-Y242 AromaticContact CE1-CD2 3.92Å; Y63-Y242 HydrophobicContact CE1-CD2 3.92Å; Y63-Y242 AromaticContact CE1-CG 3.84Å; Y63-Y242 HydrophobicContact CE1-CG 3.84Å; Y63-Y242 HydrophobicContact CE2-CD2 4.22Å; Y63-Y242 HydrophobicContact CG-CD1 4.42Å; Y63-Y242 AromaticContact CG-CD2 3.57Å; Y63-Y242 HydrophobicContact CG-CD2 3.57Å; Y63-Y242 HydrophobicContact CG-CE1 4.45Å; Y63-Y242 AromaticContact CG-CE2 3.6Å; Y63-Y242 HydrophobicContact CG-CE2 3.6Å; Y63-Y242 AromaticContact CG-CG 3.99Å; Y63-Y242 HydrophobicContact CG-CG 3.99Å; R238-Y242 WeakPolarHBondContact O-CB 3.4Å; R238-Y242 PolarHBondContact O-N 3.23Å; I239-Y242 PolarHBondContact O-N 2.9Å; V240-Y242 PolarHBondContact O-N 3.42Å; Y242-M244 PolarHBondContact O-N 2.94Å; Y242-N245 PolarHBondContact O-N 2.87Å; Y242-I246 HydrophobicContact CD1-CG2 4.19Å; Y242-I246 HydrophobicContact CD2-CG2 4.25Å; Y242-I246 HydrophobicContact CE1-CD1 4.32Å; Y242-I246 HydrophobicContact CE1-CG2 3.72Å; Y242-I246 HydrophobicContact CE2-CG2 3.79Å; Y242-I246 HydrophobicContact CG-CG2 4.45Å; Y242-I246 PolarHBondContact O-N 3.02Å; Y242-M379 HydrophobicContact CD2-CE 3.54Å; Y242-M379 HydrophobicContact CD2-SD 3.88Å; Y242-M379 HydrophobicContact CE2-CE 3.83Å; Y242-E382 HydrophobicContact CE2-CG 4.24Å; Y242-Y402 WeakPolarHBondContact CE2-OH 3.42Å; Y242-Y402 PolarHBondContact OH-OH 2.99Å
243	L	96.3	Very high	92.5	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-63.5	-25.8	-178.2	-67.2	173.6	0	0	0	113.2	I56 V156 I217 I219 Y226 I239 V240 I246	I56-L243 HydrophobicContact CG2-CD2 3.45Å; I56-L243 VanDerWaalsContact CG2-CD2 3.45Å; V156-L243 HydrophobicContact CG1-CD1 4Å; V156-L243 HydrophobicContact CG2-CD1 4.07Å; I217-L243 HydrophobicContact CD1-CB 4.24Å; I217-L243 HydrophobicContact CD1-CD1 4.38Å; I217-L243 HydrophobicContact CG2-CD1 3.89Å; I219-L243 HydrophobicContact CD1-CB 4.23Å; I219-L243 HydrophobicContact CD1-CD1 4.31Å; I219-L243 HydrophobicContact CD1-CD2 4.38Å; Y226-L243 WeakPolarHBondContact CE1-O 3.43Å; Y226-L243 PolarHBondContact OH-O 2.97Å; Y226-L243 VanDerWaalsContact OH-O 3.06Å; I239-L243 HydrophobicContact CG2-CD1 3.64Å; I239-L243 HydrophobicContact CG2-CG 4.25Å; I239-L243 WeakPolarHBondContact O-CB 3.37Å; I239-L243 WeakPolarHBondContact O-CG 3.33Å; I239-L243 PolarHBondContact O-N 2.81Å; V240-L243 PolarHBondContact O-N 2.78Å; L243-I246 HydrophobicContact CD2-CD1 4.01Å
244	M	95.3	Very high	92.8	Very high	93 Å²	93	36.6 Å²	36.6	46%	0.458	20%	0.196	S	C	.	.	H	α-helix	trans	-79.2	-15.1	175.3	-71	177.7	68.2	0	0	114	Y226 V240 Y241 Y242	Y226-M244 HydrophobicContact CD1-CG 3.96Å; Y226-M244 HydrophobicContact CD2-CE 4.49Å; Y226-M244 HydrophobicContact CD2-CG 4.09Å; Y226-M244 HydrophobicContact CE1-CG 4.06Å; Y226-M244 HydrophobicContact CE2-CB 4.46Å; Y226-M244 HydrophobicContact CE2-CG 4.23Å; Y226-M244 HydrophobicContact CG-CG 3.96Å; V240-M244 HydrophobicContact CG1-CG 4.44Å; V240-M244 HydrophobicContact CG1-SD 3.73Å; V240-M244 VanDerWaalsContact O-CG 3.27Å; V240-M244 WeakPolarHBondContact O-CG 3.48Å; V240-M244 PolarHBondContact O-N 2.89Å; Y241-M244 PolarHBondContact O-N 3.35Å; Y242-M244 PolarHBondContact O-N 2.94Å
245	N	93.5	Very high	93.1	Very high	31 Å²	31	31.9 Å²	31.9	17%	0.166	18%	0.175	C	C	.	.	H	α-helix	trans	-109.4	-10.3	-177.1	-75.2	-77.2	0	0	0	114	Y241 Y242 E382 R383	Y241-N245 WeakPolarHBondContact CD2-ND2 3.4Å; Y241-N245 VanDerWaalsContact CE2-ND2 3.27Å; Y241-N245 WeakPolarHBondContact CE2-ND2 3.23Å; Y241-N245 PolarHBondContact O-N 3.09Å; Y241-N245 PolarHBondContact O-ND2 3.29Å; Y242-N245 PolarHBondContact O-N 2.87Å; N245-E382 CarbonylContact O-C 3.59Å; N245-E382 VanDerWaalsContact O-C 3.24Å; N245-E382 VanDerWaalsContact O-O 3.04Å; N245-R383 WeakPolarHBondContact O-CA 3.13Å; N245-R383 PolarHBondContact O-N 2.97Å
246	I	90.8	Very high	93.3	Very high	16 Å²	16	31.9 Å²	31.9	8%	0.082	18%	0.175	C	C	.	.			trans	-83.7	146.8	174.9	62.8	174.9	0	0	0	111.6	K59 Y242 L243 E382	K59-I246 HydrophobicContact CD-CG2 4.39Å; Y242-I246 HydrophobicContact CD1-CG2 4.19Å; Y242-I246 HydrophobicContact CD2-CG2 4.25Å; Y242-I246 HydrophobicContact CE1-CD1 4.32Å; Y242-I246 HydrophobicContact CE1-CG2 3.72Å; Y242-I246 HydrophobicContact CE2-CG2 3.79Å; Y242-I246 HydrophobicContact CG-CG2 4.45Å; Y242-I246 PolarHBondContact O-N 3.02Å; L243-I246 HydrophobicContact CD2-CD1 4.01Å; I246-E382 HydrophobicContact CG2-CB 4.17Å; I246-E382 HydrophobicContact CG2-CG 4.23Å
247	H	83.9	Confident	93.4	Very high	36 Å²	36	32.1 Å²	32.1	17%	0.167	18%	0.175	C	C	.	.			trans	-136.9	166.3	168.3	67	84	0	0	0	112	Y55 T249 R251 E382 R383 Q384	Y55-H247 PolarHBondContact OH-O 3.01Å; Y55-H247 VanDerWaalsContact OH-O 3.05Å; H247-T249 WeakPolarHBondContact ND1-CB 3.09Å; H247-T249 PolarHBondContact ND1-N 2.95Å; H247-T249 PolarHBondContact ND1-OG1 2.88Å; H247-R251 PolarHBondContact CD2-NH1 3.21Å; H247-R251 PolarHBondContact CE1-NH1 3.08Å; H247-R251 PolarHBondContact ND1-NH1 2.94Å; H247-R251 PolarHBondContact NE2-NH1 3.32Å; H247-E382 PolarHBondContact CD2-O 3.35Å; H247-R383 PolarHBondContact NE2-O 2.82Å; H247-Q384 PolarHBondContact NE2-O 3.1Å; H247-Q384 VanDerWaalsContact NE2-O 3.14Å
248	V	78.6	Confident	93.5	Very high	71 Å²	71	29.2 Å²	29.2	43%	0.43	16%	0.155	S	C	.	.			trans	-102.5	-7.1	-178.7	-59.1	0	0	0	0	113.8	Y55 V222	Y55-V248 HydrophobicContact CD1-CG1 4.31Å; Y55-V248 HydrophobicContact CE1-CG1 3.79Å; V222-V248 HydrophobicContact CB-CG2 4.35Å; V222-V248 HydrophobicContact CG1-CB 4.03Å; V222-V248 HydrophobicContact CG1-CG1 3.45Å; V222-V248 VanDerWaalsContact CG1-CG1 3.45Å; V222-V248 HydrophobicContact CG1-CG2 3.41Å; V222-V248 VanDerWaalsContact CG1-CG2 3.41Å
249	T	79.8	Confident	93.7	Very high	67 Å²	67	28.4 Å²	28.4	41%	0.411	15%	0.152	S	C	.	.	S	Bend	trans	-52.7	126.6	178.4	-42.7	0	0	0	0	110.4	H247 R251	H247-T249 WeakPolarHBondContact ND1-CB 3.09Å; H247-T249 PolarHBondContact ND1-N 2.95Å; H247-T249 PolarHBondContact ND1-OG1 2.88Å; T249-R251 PolarHBondContact O-N 3.37Å
250	P	83.7	Confident	93.8	Very high	106 Å²	106	28.4 Å²	28.4	69%	0.688	15%	0.152	S	C	*	.			trans	-56.2	133.2	175.3	-25.3	34.5	0	0	0	111.1
251	R	91.2	Very high	93.8	Very high	10 Å²	10	27.8 Å²	27.8	4%	0.038	15%	0.148	C	C	.	.			trans	-154.8	163.8	-176.9	63.9	179.7	-174.1	-138.5	-1.5	111.4	H247 T249 L381 E382 Q384 E385 P426	H247-R251 PolarHBondContact CD2-NH1 3.21Å; H247-R251 PolarHBondContact CE1-NH1 3.08Å; H247-R251 PolarHBondContact ND1-NH1 2.94Å; H247-R251 PolarHBondContact NE2-NH1 3.32Å; T249-R251 PolarHBondContact O-N 3.37Å; R251-L381 PolarHBondContact NH2-O 3.01Å; R251-E382 IonicContact CZ-OE2 2.78Å; R251-E382 PolarHBondContact NH1-O 2.79Å; R251-E382 PolarHBondContact NH2-O 3.3Å; R251-E382 IonicContact NH2-OE2 2.66Å; R251-E382 PolarHBondContact NH2-OE2 2.92Å; R251-Q384 WeakPolarHBondContact CD-O 3.35Å; R251-Q384 PolarHBondContact NE-O 3.31Å; R251-Q384 PolarHBondContact NH1-O 3.22Å; R251-E385 HydrophobicContact CB-CB 4.27Å; R251-E385 WeakPolarHBondContact CB-O 3.34Å; R251-E385 WeakPolarHBondContact CD-O 3.48Å; R251-P426 HydrophobicContact CG-CG 4.47Å; R251-P426 WeakPolarHBondContact O-CD 3.47Å
252	S	94.9	Very high	93.9	Very high	18 Å²	18	26.8 Å²	26.8	13%	0.126	15%	0.148	C	C	.	.			trans	-120.6	130.2	174.5	-64.9	0	0	0	0	111.5	Y254 N386 V387 K423 L424	S252-Y254 VanDerWaalsContact CB-CE2 3.48Å; S252-N386 PolarHBondContact N-OD1 3.13Å; S252-N386 WeakPolarHBondContact O-CA 3.48Å; S252-V387 PolarHBondContact O-N 3.08Å; S252-K423 WeakPolarHBondContact OG-CE 3.22Å; S252-L424 WeakPolarHBondContact CA-O 3.49Å
253	I	97.8	Very high	93.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127.3	171.7	-62.6	162.3	0	0	0	107.6	L255 L381 V387 F403 L424	I253-L255 HydrophobicContact CG2-CD2 3.96Å; I253-L255 HydrophobicContact CG2-CG 4.37Å; I253-L381 HydrophobicContact CG2-CD2 4.26Å; I253-V387 CarbonylContact C-O 3.54Å; I253-V387 WeakPolarHBondContact CA-O 3.38Å; I253-F403 HydrophobicContact CD1-CD1 4.47Å; I253-F403 HydrophobicContact CD1-CE1 3.58Å; I253-F403 HydrophobicContact CD1-CE2 4.27Å; I253-F403 HydrophobicContact CD1-CZ 3.47Å; I253-F403 VanDerWaalsContact CD1-CZ 3.47Å; I253-L424 HydrophobicContact CB-CB 4.14Å; I253-L424 HydrophobicContact CG2-CD1 4.43Å; I253-L424 PolarHBondContact N-O 3.42Å; I253-L424 WeakPolarHBondContact O-CA 3.46Å; I253-L424 WeakPolarHBondContact O-CB 3.43Å; I253-L424 PolarHBondContact O-N 3.38Å
254	Y	98.7	Very high	94	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.016	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123.7	178.4	-61.2	-100.6	0	0	0	108.1	S252 Y289 M290 I295 V387 L388 V389 V421 L422 K423	S252-Y254 VanDerWaalsContact CB-CE2 3.48Å; Y254-Y289 HydrophobicContact CD1-CE1 4.48Å; Y254-Y289 HydrophobicContact CE1-CE1 4.45Å; Y254-M290 HydrophobicContact CD1-CE 4Å; Y254-M290 HydrophobicContact CD1-SD 4.04Å; Y254-M290 HydrophobicContact CD2-CE 3.93Å; Y254-M290 HydrophobicContact CE1-CE 4.24Å; Y254-M290 HydrophobicContact CE1-SD 4.42Å; Y254-M290 HydrophobicContact CE2-CE 4.22Å; Y254-M290 HydrophobicContact CG-CE 3.83Å; Y254-M290 HydrophobicContact CG-SD 4.32Å; Y254-I295 HydrophobicContact CD2-CD1 4.37Å; Y254-I295 HydrophobicContact CE1-CD1 4.45Å; Y254-I295 HydrophobicContact CE2-CD1 3.46Å; Y254-I295 VanDerWaalsContact CE2-CD1 3.46Å; Y254-I295 WeakPolarHBondContact OH-CD1 3.33Å; Y254-V387 PolarHBondContact N-O 3.33Å; Y254-L388 CarbonylContact O-C 3.57Å; Y254-L388 WeakPolarHBondContact O-CA 3.49Å; Y254-V389 PolarHBondContact O-N 3.18Å; Y254-V421 HydrophobicContact CD1-CG1 3.93Å; Y254-L422 WeakPolarHBondContact CA-O 3.18Å; Y254-K423 HydrophobicContact CD1-CB 4.07Å; Y254-K423 HydrophobicContact CD1-CG 4.19Å; Y254-K423 HydrophobicContact CE1-CB 3.99Å; Y254-K423 HydrophobicContact CE1-CD 3.88Å; Y254-K423 HydrophobicContact CE1-CG 3.74Å
255	L	98.8	Very high	94.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131	174	-58.9	-174.9	0	0	0	108.9	I253 V389 M396 L399 L400 L422 L424	I253-L255 HydrophobicContact CG2-CD2 3.96Å; I253-L255 HydrophobicContact CG2-CG 4.37Å; L255-V389 HydrophobicContact CD2-CB 3.72Å; L255-V389 HydrophobicContact CD2-CG2 3.92Å; L255-M396 HydrophobicContact CB-CE 3.8Å; L255-M396 HydrophobicContact CB-CG 4.31Å; L255-M396 HydrophobicContact CB-SD 4.42Å; L255-L399 HydrophobicContact CD1-CB 4.02Å; L255-L399 HydrophobicContact CD2-CD1 4.12Å; L255-L400 HydrophobicContact CD1-CD2 3.76Å; L255-L400 HydrophobicContact CD1-CG 3.88Å; L255-L422 HydrophobicContact CB-CB 4.49Å; L255-L422 PolarHBondContact N-O 3.32Å; L255-L422 PolarHBondContact O-N 3.05Å; L255-L424 HydrophobicContact CD1-CD1 3.63Å; L255-L424 HydrophobicContact CG-CD1 3.96Å
256	S	98.7	Very high	94.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.8	167.4	-159.8	0	0	0	0	110.3	F282 V389 I390 C391 T420	S256-F282 WeakPolarHBondContact OG-CZ 3.45Å; S256-V389 PolarHBondContact N-O 2.95Å; S256-V389 VanDerWaalsContact O-O 3.08Å; S256-I390 WeakPolarHBondContact O-CA 3.48Å; S256-C391 PolarHBondContact O-N 3.03Å; S256-T420 PolarHBondContact OG-O 3.16Å
257	R	98.8	Very high	94.4	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.015	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	166.5	165.9	-71.4	168.6	59.8	-175.4	0.1	109.3	C391 M396 C416 L418 T445	R257-C391 CarbonylContact C-O 3.48Å; R257-C391 VanDerWaalsContact CA-O 3.28Å; R257-C391 WeakPolarHBondContact CA-O 3.31Å; R257-M396 HydrophobicContact CG-SD 3.89Å; R257-C416 WeakPolarHBondContact CD-O 3.34Å; R257-C416 PolarHBondContact NH1-O 2.93Å; R257-L418 HydrophobicContact CB-CD2 4.2Å; R257-L418 VanDerWaalsContact CZ-CD2 3.47Å; R257-L418 VanDerWaalsContact CZ-CG 3.49Å; R257-T445 PolarHBondContact NH1-OG1 3.5Å; R257-T445 PolarHBondContact NH2-OG1 3.48Å
258	H	98.8	Very high	95.1	Very high	4 Å²	4	31 Å²	31	2%	0.019	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-51.5	158.3	157.1	57.1	82.1	0	0	0	111.2	N264 R307 T308 C391 H392 L418	H258-N264 PolarHBondContact CE1-OD1 3.26Å; H258-R307 HydrophobicContact CB-CB 3.95Å; H258-R307 HydrophobicContact CB-CG 3.91Å; H258-R307 PolarHBondContact CD2-NE 2.83Å; H258-R307 VanDerWaalsContact CE1-CD 3.49Å; H258-R307 WeakPolarHBondContact CE1-CD 3.45Å; H258-R307 WeakPolarHBondContact NE2-CD 3.38Å; H258-R307 PolarHBondContact NE2-NE 3.25Å; H258-R307 VanDerWaalsContact NE2-NE 3.18Å; H258-T308 HydrophobicContact CB-CG2 3.97Å; H258-C391 PolarHBondContact CD2-O 3.14Å; H258-C391 VanDerWaalsContact CD2-O 3.25Å; H258-C391 PolarHBondContact N-O 2.7Å; H258-H392 AromaticContact CD2-CE1 3.84Å; H258-H392 AromaticContact CD2-ND1 3.23Å; H258-H392 PolarHBondContact CD2-ND1 2.8Å; H258-H392 AromaticContact NE2-ND1 3.49Å; H258-H392 PolarHBondContact NE2-ND1 2.81Å; H258-L418 WeakPolarHBondContact O-CD2 3.34Å
259	G	98.8	Very high	96	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-58.5	157	164.8	0	0	0	0	0	111.6	S261 L275 T311	G259-S261 PolarHBondContact O-N 2.93Å; G259-L275 WeakPolarHBondContact O-CD2 3.47Å; G259-T311 PolarHBondContact N-OG1 3.15Å
260	E	98.8	Very high	96.8	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	15%	0.148	C	C	.	.			trans	-45.9	130	176.4	-177.5	-175.6	-106.2	0	0	111.1	N264 L265 L275 S276 R278 G279 L418 H419 A442 V443	E260-N264 HydrophobicContact CG-CB 4.1Å; E260-L265 VanDerWaalsContact CD-CD2 3.49Å; E260-L265 HydrophobicContact CG-CD2 4.32Å; E260-L265 HydrophobicContact CG-CG 4.47Å; E260-L265 WeakPolarHBondContact OE2-CD2 3.31Å; E260-L275 WeakPolarHBondContact O-CA 3.27Å; E260-S276 PolarHBondContact O-N 2.93Å; E260-S276 PolarHBondContact O-OG 3.47Å; E260-S276 PolarHBondContact OE2-OG 3.43Å; E260-R278 IonicContact OE1-CZ 2.79Å; E260-R278 IonicContact OE1-NE 3.53Å; E260-R278 PolarHBondContact OE1-NE 2.87Å; E260-R278 IonicContact OE1-NH2 2.78Å; E260-R278 PolarHBondContact OE1-NH2 3.3Å; E260-R278 WeakPolarHBondContact OE2-CB 3.38Å; E260-R278 IonicContact OE2-CZ 3.61Å; E260-R278 IonicContact OE2-NE 3.65Å; E260-R278 PolarHBondContact OE2-NE 3.19Å; E260-R278 IonicContact OE2-NH2 2.7Å; E260-R278 PolarHBondContact OE2-NH2 3.41Å; E260-G279 WeakPolarHBondContact O-CA 3.41Å; E260-L418 HydrophobicContact CB-CD1 4.11Å; E260-L418 HydrophobicContact CG-CD1 4.22Å; E260-H419 PolarHBondContact N-NE2 3.46Å; E260-A442 HydrophobicContact CB-CB 4.39Å; E260-A442 VanDerWaalsContact OE1-CA 3.29Å; E260-A442 WeakPolarHBondContact OE1-CA 3.19Å; E260-V443 HydrophobicContact CG-CG2 4.41Å; E260-V443 PolarHBondContact OE1-N 3.44Å
261	S	98.7	Very high	97.4	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.014	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-101.9	166.2	178.7	71.5	0	0	0	0	112.5	G259 L263 N264 L265 S273 G274	G259-S261 PolarHBondContact O-N 2.93Å; S261-L263 VanDerWaalsContact C-N 3.29Å; S261-L263 PolarHBondContact O-N 3.02Å; S261-N264 PolarHBondContact N-OD1 3.16Å; S261-N264 WeakPolarHBondContact O-CB 3.41Å; S261-N264 PolarHBondContact O-N 3.01Å; S261-N264 PolarHBondContact OG-N 3.38Å; S261-N264 PolarHBondContact OG-ND2 2.91Å; S261-N264 PolarHBondContact OG-OD1 3.28Å; S261-L265 PolarHBondContact O-N 2.87Å; S261-S273 PolarHBondContact OG-OG 3.03Å; S261-G274 VanDerWaalsContact CA-O 3.26Å; S261-G274 WeakPolarHBondContact CA-O 3.16Å; S261-G274 VanDerWaalsContact CB-O 3.25Å; S261-G274 WeakPolarHBondContact CB-O 3.07Å
262	E	98.3	Very high	97.7	Very high	99 Å²	99	25.3 Å²	25.3	46%	0.463	14%	0.139	S	C	.	.	H	α-helix	trans	-58.1	-41.1	174.5	-61.6	-60.8	158.1	0	0	111.9	N264 L265 G274 S276	E262-N264 VanDerWaalsContact C-N 3.28Å; E262-N264 PolarHBondContact O-N 3.44Å; E262-L265 WeakPolarHBondContact O-CB 3.14Å; E262-L265 PolarHBondContact O-N 3.18Å; E262-G274 PolarHBondContact N-O 3.21Å; E262-G274 VanDerWaalsContact N-O 3.07Å; E262-S276 WeakPolarHBondContact OE1-CA 3.24Å
263	L	97.8	Very high	97.9	Very high	23 Å²	23	25.6 Å²	25.6	12%	0.12	14%	0.14	C	C	.	.	H	α-helix	trans	-67	-27.2	175.6	-70	171.8	0	0	0	113	S261 V266 G267 R268 G270 S273	S261-L263 VanDerWaalsContact C-N 3.29Å; S261-L263 PolarHBondContact O-N 3.02Å; L263-V266 HydrophobicContact CD2-CG2 4.36Å; L263-G267 PolarHBondContact O-N 2.9Å; L263-R268 HydrophobicContact CB-CB 4.18Å; L263-R268 HydrophobicContact CD2-CB 3.66Å; L263-R268 HydrophobicContact CD2-CG 4.33Å; L263-R268 HydrophobicContact CG-CB 4.41Å; L263-R268 PolarHBondContact O-N 3.44Å; L263-G270 WeakPolarHBondContact CD1-O 3.31Å; L263-S273 WeakPolarHBondContact CB-OG 3.35Å; L263-S273 WeakPolarHBondContact CD1-OG 3.49Å; L263-S273 VanDerWaalsContact CG-OG 3.24Å; L263-S273 WeakPolarHBondContact CG-OG 3.4Å; L263-S273 PolarHBondContact N-OG 3.43Å
264	N	97.8	Very high	97.9	Very high	21 Å²	21	26.1 Å²	26.1	11%	0.112	15%	0.146	C	C	.	.	H	α-helix	trans	-65.6	-41.9	174.2	-61.5	153.2	0	0	0	111.2	H258 E260 S261 E262 V266 G267 L418 V443 T445	H258-N264 PolarHBondContact CE1-OD1 3.26Å; E260-N264 HydrophobicContact CG-CB 4.1Å; S261-N264 PolarHBondContact N-OD1 3.16Å; S261-N264 WeakPolarHBondContact O-CB 3.41Å; S261-N264 PolarHBondContact O-N 3.01Å; S261-N264 PolarHBondContact OG-N 3.38Å; S261-N264 PolarHBondContact OG-ND2 2.91Å; S261-N264 PolarHBondContact OG-OD1 3.28Å; E262-N264 VanDerWaalsContact C-N 3.28Å; E262-N264 PolarHBondContact O-N 3.44Å; N264-V266 PolarHBondContact O-N 3.21Å; N264-G267 PolarHBondContact O-N 2.78Å; N264-G267 VanDerWaalsContact O-N 3.15Å; N264-L418 HydrophobicContact CB-CD1 4.43Å; N264-V443 HydrophobicContact CB-CG2 3.85Å; N264-V443 WeakPolarHBondContact O-CG2 3.33Å; N264-T445 HydrophobicContact CB-CG2 4.43Å
265	L	97.2	Very high	97.9	Very high	48 Å²	48	27.1 Å²	27.1	25%	0.251	15%	0.152	S	C	.	.	H	α-helix	trans	-57.8	-40.1	-180	-69.8	176.8	0	0	0	112.1	E260 S261 E262 V443	E260-L265 VanDerWaalsContact CD-CD2 3.49Å; E260-L265 HydrophobicContact CG-CD2 4.32Å; E260-L265 HydrophobicContact CG-CG 4.47Å; E260-L265 WeakPolarHBondContact OE2-CD2 3.31Å; S261-L265 PolarHBondContact O-N 2.87Å; E262-L265 WeakPolarHBondContact O-CB 3.14Å; E262-L265 PolarHBondContact O-N 3.18Å; L265-V443 HydrophobicContact CD2-CG1 4.04Å
266	V	96.4	Very high	97.9	Very high	70 Å²	70	27.3 Å²	27.3	42%	0.424	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	14.7	-178.6	-59.1	0	0	0	0	113.7	L263 N264 R268	L263-V266 HydrophobicContact CD2-CG2 4.36Å; N264-V266 PolarHBondContact O-N 3.21Å; V266-R268 VanDerWaalsContact C-N 3.25Å; V266-R268 HydrophobicContact CG2-CB 4.2Å; V266-R268 HydrophobicContact CG2-CG 3.93Å; V266-R268 PolarHBondContact O-N 3.33Å
267	G	95.9	Very high	97.9	Very high	20 Å²	20	33.8 Å²	33.8	21%	0.206	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	14.2	174.7	0	0	0	0	0	116.1	L263 N264	L263-G267 PolarHBondContact O-N 2.9Å; N264-G267 PolarHBondContact O-N 2.78Å; N264-G267 VanDerWaalsContact O-N 3.15Å
268	R	97.5	Very high	97.9	Very high	83 Å²	83	36.6 Å²	36.6	31%	0.313	19%	0.193	S	C	.	.			trans	-89	136.5	-176.3	-71.3	177.4	-179.3	-72.7	-12	112.2	L263 V266 E335 M336 T337 E340	L263-R268 HydrophobicContact CB-CB 4.18Å; L263-R268 HydrophobicContact CD2-CB 3.66Å; L263-R268 HydrophobicContact CD2-CG 4.33Å; L263-R268 HydrophobicContact CG-CB 4.41Å; L263-R268 PolarHBondContact O-N 3.44Å; V266-R268 VanDerWaalsContact C-N 3.25Å; V266-R268 HydrophobicContact CG2-CB 4.2Å; V266-R268 HydrophobicContact CG2-CG 3.93Å; V266-R268 PolarHBondContact O-N 3.33Å; R268-E335 WeakPolarHBondContact CD-O 3.5Å; R268-E335 WeakPolarHBondContact CG-O 3.01Å; R268-E335 PolarHBondContact NH1-O 3.37Å; R268-M336 WeakPolarHBondContact CA-O 3.35Å; R268-T337 HydrophobicContact CG-CG2 3.79Å; R268-E340 IonicContact CZ-OE1 3.32Å; R268-E340 IonicContact CZ-OE2 3.43Å; R268-E340 IonicContact NH1-OE1 3.05Å; R268-E340 PolarHBondContact NH1-OE1 3.09Å; R268-E340 IonicContact NH1-OE2 3.31Å; R268-E340 PolarHBondContact NH1-OE2 2.91Å; R268-E340 IonicContact NH2-OE1 2.68Å; R268-E340 PolarHBondContact NH2-OE1 2.73Å; R268-E340 IonicContact NH2-OE2 3.45Å
269	I	97.2	Very high	97.9	Very high	28 Å²	28	36.4 Å²	36.4	14%	0.144	19%	0.192	C	C	.	.			trans	-88.8	156.6	178	71	171.6	0	0	0	111.7	A330 C333 E335 M336 Y338 I341	I269-A330 HydrophobicContact CD1-CB 3.68Å; I269-A330 HydrophobicContact CG1-CB 4.25Å; I269-C333 HydrophobicContact CD1-CB 4.43Å; I269-C333 WeakPolarHBondContact CG1-O 3.34Å; I269-E335 WeakPolarHBondContact O-CA 3.41Å; I269-E335 PolarHBondContact O-N 3.19Å; I269-M336 PolarHBondContact N-O 3.28Å; I269-Y338 HydrophobicContact CG2-CE1 4.3Å; I269-Y338 HydrophobicContact CG2-CE2 4.21Å; I269-I341 HydrophobicContact CD1-CD1 3.56Å; I269-I341 HydrophobicContact CG1-CD1 4.28Å
270	G	96.1	Very high	97.9	Very high	15 Å²	15	38.9 Å²	38.9	16%	0.155	21%	0.213	C	C	.	.	S	Bend	trans	71.3	-143.5	175.4	0	0	0	0	0	114.3	L263 E334	L263-G270 WeakPolarHBondContact CD1-O 3.31Å; G270-E334 WeakPolarHBondContact CA-OE2 3.44Å
271	G	96.9	Very high	97.9	Very high	7 Å²	7	43.8 Å²	43.8	7%	0.072	23%	0.234	C	C	.	.	S	Bend	trans	63.7	-174.4	178.7	0	0	0	0	0	114.6	R307 E334	G271-R307 PolarHBondContact O-NH1 3.3Å; G271-E334 PolarHBondContact N-OE2 3.35Å
272	D	98.4	Very high	97.9	Very high	85 Å²	85	43.7 Å²	43.7	46%	0.455	23%	0.233	S	C	.	.			trans	-131	41	178.8	-162.2	31.7	0	0	0	113.5	M305 K306	D272-M305 WeakPolarHBondContact OD1-CA 3.32Å; D272-M305 VanDerWaalsContact OD1-CB 3.28Å; D272-M305 WeakPolarHBondContact OD1-CB 3.41Å; D272-K306 PolarHBondContact OD1-N 2.9Å
273	S	98.3	Very high	97.9	Very high	23 Å²	23	39.1 Å²	39.1	16%	0.161	21%	0.212	C	C	.	.			trans	-63.2	155.4	174.6	59.5	0	0	0	0	113.1	S261 L263	S261-S273 PolarHBondContact OG-OG 3.03Å; L263-S273 WeakPolarHBondContact CB-OG 3.35Å; L263-S273 WeakPolarHBondContact CD1-OG 3.49Å; L263-S273 VanDerWaalsContact CG-OG 3.24Å; L263-S273 WeakPolarHBondContact CG-OG 3.4Å; L263-S273 PolarHBondContact N-OG 3.43Å
274	G	98.6	Very high	98	Very high	12 Å²	12	40.6 Å²	40.6	12%	0.124	23%	0.228	C	C	.	.			trans	-81.3	178.2	173.2	0	0	0	0	0	113.1	S261 E262	S261-G274 VanDerWaalsContact CA-O 3.26Å; S261-G274 WeakPolarHBondContact CA-O 3.16Å; S261-G274 VanDerWaalsContact CB-O 3.25Å; S261-G274 WeakPolarHBondContact CB-O 3.07Å; E262-G274 PolarHBondContact N-O 3.21Å; E262-G274 VanDerWaalsContact N-O 3.07Å
275	L	98.8	Very high	98	Very high	25 Å²	25	40.9 Å²	40.9	13%	0.131	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-65.7	143	174.5	-62	-178.5	0	0	0	112.3	G259 E260 A283 R307 Q310	G259-L275 WeakPolarHBondContact O-CD2 3.47Å; E260-L275 WeakPolarHBondContact O-CA 3.27Å; L275-A283 HydrophobicContact CD1-CB 4.21Å; L275-R307 HydrophobicContact CD2-CB 4.08Å; L275-Q310 HydrophobicContact CD1-CB 3.67Å; L275-Q310 HydrophobicContact CG-CB 3.87Å
276	S	98.6	Very high	98.1	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.021	22%	0.221	C	C	.	.			trans	-71.2	173.1	163.1	83.9	0	0	0	0	111	E260 E262 R278 G279 A280	E260-S276 PolarHBondContact O-N 2.93Å; E260-S276 PolarHBondContact O-OG 3.47Å; E260-S276 PolarHBondContact OE2-OG 3.43Å; E262-S276 WeakPolarHBondContact OE1-CA 3.24Å; S276-R278 VanDerWaalsContact C-N 3.26Å; S276-R278 PolarHBondContact O-N 2.89Å; S276-R278 PolarHBondContact OG-N 3.17Å; S276-G279 PolarHBondContact O-N 3.09Å; S276-G279 VanDerWaalsContact O-N 3.13Å; S276-G279 PolarHBondContact OG-N 2.77Å; S276-G279 VanDerWaalsContact OG-N 3.08Å; S276-A280 PolarHBondContact O-N 2.79Å
277	H	98.4	Very high	98.1	Very high	137 Å²	137	35.3 Å²	35.3	63%	0.634	20%	0.202	S	C	*	.	H	α-helix	trans	-56.5	-40	171.2	-175.7	56.6	0	0	0	112.7	K281	H277-K281 VanDerWaalsContact NE2-CE 3.34Å; H277-K281 WeakPolarHBondContact NE2-CE 3.3Å; H277-K281 WeakPolarHBondContact O-CG 3.13Å; H277-K281 PolarHBondContact O-N 2.95Å
278	R	98.6	Very high	98.2	Very high	63 Å²	63	37 Å²	37	24%	0.238	21%	0.214	C	C	.	.	H	α-helix	trans	-71.6	-36.8	176.2	-62.6	-170.9	-66.6	-163.8	-5.5	111.1	E260 S276 A280 K281 F282 I440 E441	E260-R278 IonicContact OE1-CZ 2.79Å; E260-R278 IonicContact OE1-NE 3.53Å; E260-R278 PolarHBondContact OE1-NE 2.87Å; E260-R278 IonicContact OE1-NH2 2.78Å; E260-R278 PolarHBondContact OE1-NH2 3.3Å; E260-R278 WeakPolarHBondContact OE2-CB 3.38Å; E260-R278 IonicContact OE2-CZ 3.61Å; E260-R278 IonicContact OE2-NE 3.65Å; E260-R278 PolarHBondContact OE2-NE 3.19Å; E260-R278 IonicContact OE2-NH2 2.7Å; E260-R278 PolarHBondContact OE2-NH2 3.41Å; S276-R278 VanDerWaalsContact C-N 3.26Å; S276-R278 PolarHBondContact O-N 2.89Å; S276-R278 PolarHBondContact OG-N 3.17Å; R278-A280 VanDerWaalsContact C-N 3.33Å; R278-A280 PolarHBondContact O-N 2.98Å; R278-K281 WeakPolarHBondContact O-CB 3.36Å; R278-K281 PolarHBondContact O-N 3.03Å; R278-F282 PolarHBondContact O-N 3.16Å; R278-I440 HydrophobicContact CB-CG2 4.23Å; R278-E441 WeakPolarHBondContact CD-O 3.12Å
279	G	98.8	Very high	98.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59	-42.2	173.1	0	0	0	0	0	113.1	E260 S276 F282 A283	E260-G279 WeakPolarHBondContact O-CA 3.41Å; S276-G279 PolarHBondContact O-N 3.09Å; S276-G279 VanDerWaalsContact O-N 3.13Å; S276-G279 PolarHBondContact OG-N 2.77Å; S276-G279 VanDerWaalsContact OG-N 3.08Å; G279-F282 PolarHBondContact O-N 3.03Å; G279-A283 PolarHBondContact O-N 3.38Å
280	A	98.8	Very high	98.2	Very high	51 Å²	51	34.2 Å²	34.2	42%	0.421	20%	0.202	S	C	.	.	H	α-helix	trans	-64.8	-40.1	175.4	0	0	0	0	0	112.4	S276 R278 A283 A284	S276-A280 PolarHBondContact O-N 2.79Å; R278-A280 VanDerWaalsContact C-N 3.33Å; R278-A280 PolarHBondContact O-N 2.98Å; A280-A283 PolarHBondContact O-N 2.85Å; A280-A284 PolarHBondContact O-N 3.1Å
281	K	98.8	Very high	98.2	Very high	105 Å²	105	40.5 Å²	40.5	46%	0.457	22%	0.221	S	C	.	.	H	α-helix	trans	-61.9	-42.9	172.8	-71.1	178.8	-179.6	-179.6	0	112	H277 R278 A284 A285 I440	H277-K281 VanDerWaalsContact NE2-CE 3.34Å; H277-K281 WeakPolarHBondContact NE2-CE 3.3Å; H277-K281 WeakPolarHBondContact O-CG 3.13Å; H277-K281 PolarHBondContact O-N 2.95Å; R278-K281 WeakPolarHBondContact O-CB 3.36Å; R278-K281 PolarHBondContact O-N 3.03Å; K281-A284 PolarHBondContact O-N 3.34Å; K281-A285 PolarHBondContact O-N 2.97Å; K281-I440 HydrophobicContact CB-CD1 4.12Å; K281-I440 HydrophobicContact CB-CG2 4.21Å
282	F	98.8	Very high	98.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-44	174.9	166.9	-102	0	0	0	112	S256 R278 G279 A284 A285 L286 T311 H419 L438 I440	S256-F282 WeakPolarHBondContact OG-CZ 3.45Å; R278-F282 PolarHBondContact O-N 3.16Å; G279-F282 PolarHBondContact O-N 3.03Å; F282-A284 VanDerWaalsContact C-N 3.3Å; F282-A284 PolarHBondContact O-N 3.47Å; F282-A285 CarbonylContact O-C 3.57Å; F282-A285 PolarHBondContact O-N 3.03Å; F282-A285 VanDerWaalsContact O-N 3.09Å; F282-L286 HydrophobicContact CE1-CB 4.44Å; F282-L286 HydrophobicContact CE1-CD2 4.13Å; F282-L286 HydrophobicContact CE2-CB 4.38Å; F282-L286 HydrophobicContact CZ-CB 4.18Å; F282-L286 HydrophobicContact CZ-CD1 4.49Å; F282-L286 HydrophobicContact CZ-CD2 4.09Å; F282-L286 HydrophobicContact CZ-CG 4.49Å; F282-L286 WeakPolarHBondContact O-CB 3.46Å; F282-L286 PolarHBondContact O-N 3.46Å; F282-T311 HydrophobicContact CD1-CG2 4.36Å; F282-T311 HydrophobicContact CE1-CG2 4.06Å; F282-H419 HydrophobicContact CB-CB 4.42Å; F282-H419 WeakPolarHBondContact CB-CD2 3.35Å; F282-H419 WeakPolarHBondContact CB-NE2 3.35Å; F282-H419 AromaticContact CD1-CD2 3.66Å; F282-H419 HydrophobicContact CD2-CB 3.53Å; F282-H419 AromaticContact CD2-CD2 3.71Å; F282-H419 AromaticContact CD2-CG 3.69Å; F282-H419 VanDerWaalsContact CE2-C 3.45Å; F282-H419 HydrophobicContact CE2-CB 4.01Å; F282-H419 HydrophobicContact CG-CB 4.04Å; F282-H419 AromaticContact CG-CD2 3.24Å; F282-H419 WeakPolarHBondContact CG-CD2 3.5Å; F282-H419 AromaticContact CG-CG 3.66Å; F282-H419 AromaticContact CG-NE2 3.86Å; F282-L438 HydrophobicContact CD2-CB 4.26Å; F282-L438 HydrophobicContact CD2-CD1 4.03Å; F282-L438 HydrophobicContact CD2-CG 4.46Å; F282-L438 HydrophobicContact CE2-CB 4.3Å; F282-L438 HydrophobicContact CE2-CD1 3.54Å; F282-L438 HydrophobicContact CE2-CG 4.02Å; F282-L438 HydrophobicContact CZ-CD1 4.43Å; F282-I440 HydrophobicContact CB-CB 4.43Å; F282-I440 HydrophobicContact CB-CG2 4.41Å
283	A	98.8	Very high	97.9	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.017	24%	0.239	C	C	.	.	H	α-helix	trans	-57.5	-43.3	178.5	0	0	0	0	0	112	L275 G279 A280 L286 G287 T311 A314	L275-A283 HydrophobicContact CD1-CB 4.21Å; G279-A283 PolarHBondContact O-N 3.38Å; A280-A283 PolarHBondContact O-N 2.85Å; A283-L286 PolarHBondContact O-N 3.27Å; A283-G287 PolarHBondContact O-N 2.58Å; A283-T311 HydrophobicContact CB-CG2 4.08Å; A283-A314 HydrophobicContact CB-CB 3.57Å
284	A	98.5	Very high	97.6	Very high	54 Å²	54	46.3 Å²	46.3	45%	0.446	27%	0.268	S	S	.	.	H	α-helix	trans	-64.1	-42.6	173.9	0	0	0	0	0	112.6	A280 K281 F282 G287 A288	A280-A284 PolarHBondContact O-N 3.1Å; K281-A284 PolarHBondContact O-N 3.34Å; F282-A284 VanDerWaalsContact C-N 3.3Å; F282-A284 PolarHBondContact O-N 3.47Å; A284-G287 PolarHBondContact O-N 3.05Å; A284-A288 PolarHBondContact O-N 3.18Å
285	A	98.7	Very high	97.4	Very high	28 Å²	28	47.6 Å²	47.6	23%	0.231	27%	0.272	C	S	.	.	H	α-helix	trans	-64.7	-39.1	177	0	0	0	0	0	112.3	K281 F282 A288 Y289 L438 I440	K281-A285 PolarHBondContact O-N 2.97Å; F282-A285 CarbonylContact O-C 3.57Å; F282-A285 PolarHBondContact O-N 3.03Å; F282-A285 VanDerWaalsContact O-N 3.09Å; A285-A288 PolarHBondContact O-N 2.98Å; A285-Y289 WeakPolarHBondContact O-CB 3.45Å; A285-Y289 PolarHBondContact O-N 3.27Å; A285-L438 HydrophobicContact CB-CB 4.24Å; A285-L438 HydrophobicContact CB-CD1 4.32Å; A285-I440 HydrophobicContact CB-CG1 4.38Å
286	L	98.8	Very high	96.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-46	174.4	179.6	62.9	0	0	0	110.6	F282 A283 A288 Y289 M290 T311 L315 I390 V421 L438	F282-L286 HydrophobicContact CE1-CB 4.44Å; F282-L286 HydrophobicContact CE1-CD2 4.13Å; F282-L286 HydrophobicContact CE2-CB 4.38Å; F282-L286 HydrophobicContact CZ-CB 4.18Å; F282-L286 HydrophobicContact CZ-CD1 4.49Å; F282-L286 HydrophobicContact CZ-CD2 4.09Å; F282-L286 HydrophobicContact CZ-CG 4.49Å; F282-L286 WeakPolarHBondContact O-CB 3.46Å; F282-L286 PolarHBondContact O-N 3.46Å; A283-L286 PolarHBondContact O-N 3.27Å; L286-A288 VanDerWaalsContact C-N 3.34Å; L286-A288 PolarHBondContact O-N 2.93Å; L286-Y289 PolarHBondContact O-N 3.41Å; L286-M290 HydrophobicContact CD1-CG 4.01Å; L286-M290 HydrophobicContact CD1-SD 4.45Å; L286-M290 HydrophobicContact CG-CG 4.4Å; L286-M290 WeakPolarHBondContact O-CB 3.46Å; L286-M290 VanDerWaalsContact O-CG 3.3Å; L286-M290 WeakPolarHBondContact O-CG 3.47Å; L286-M290 PolarHBondContact O-N 3.42Å; L286-T311 HydrophobicContact CD2-CG2 3.9Å; L286-L315 HydrophobicContact CD2-CD1 4.24Å; L286-L315 HydrophobicContact CG-CD1 4.25Å; L286-I390 HydrophobicContact CD2-CD1 4.07Å; L286-I390 HydrophobicContact CD2-CG1 4.31Å; L286-V421 HydrophobicContact CD1-CG2 3.47Å; L286-V421 VanDerWaalsContact CD1-CG2 3.47Å; L286-L438 VanDerWaalsContact CA-CD1 3.47Å; L286-L438 HydrophobicContact CB-CD1 3.93Å; L286-L438 HydrophobicContact CD1-CD1 4.13Å
287	G	97.8	Very high	96.4	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-57.4	-45.1	173.9	0	0	0	0	0	112.8	A283 A284 R291	A283-G287 PolarHBondContact O-N 2.58Å; A284-G287 PolarHBondContact O-N 3.05Å; G287-R291 WeakPolarHBondContact O-CB 3.3Å; G287-R291 WeakPolarHBondContact O-CG 3.48Å; G287-R291 PolarHBondContact O-N 3.47Å; G287-R291 VanDerWaalsContact O-N 3.09Å
288	A	97.6	Very high	96.3	Very high	55 Å²	55	52.9 Å²	52.9	46%	0.455	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-44.8	176.4	0	0	0	0	0	112.3	A284 A285 L286 R291 G292	A284-A288 PolarHBondContact O-N 3.18Å; A285-A288 PolarHBondContact O-N 2.98Å; L286-A288 VanDerWaalsContact C-N 3.34Å; L286-A288 PolarHBondContact O-N 2.93Å; A288-R291 PolarHBondContact O-N 2.95Å; A288-G292 PolarHBondContact O-N 2.96Å
289	Y	97.9	Very high	96.2	Very high	43 Å²	43	53.3 Å²	53.3	17%	0.169	32%	0.315	C	S	.	.	H	α-helix	trans	-59.2	-50.4	177.6	171.4	-102.6	0	0	0	111.6	Y254 A285 L286 R291 G292 Q293 V421 V436 L438	Y254-Y289 HydrophobicContact CD1-CE1 4.48Å; Y254-Y289 HydrophobicContact CE1-CE1 4.45Å; A285-Y289 WeakPolarHBondContact O-CB 3.45Å; A285-Y289 PolarHBondContact O-N 3.27Å; L286-Y289 PolarHBondContact O-N 3.41Å; Y289-R291 PolarHBondContact O-N 3.36Å; Y289-G292 WeakPolarHBondContact O-CA 3.33Å; Y289-G292 PolarHBondContact O-N 3.07Å; Y289-G292 VanDerWaalsContact O-N 3.11Å; Y289-Q293 HydrophobicContact CE1-CG 4.18Å; Y289-Q293 WeakPolarHBondContact O-CG 3.45Å; Y289-Q293 PolarHBondContact O-N 2.63Å; Y289-Q293 VanDerWaalsContact O-N 3.14Å; Y289-V421 HydrophobicContact CD1-CG2 4.32Å; Y289-V421 HydrophobicContact CE1-CB 4.3Å; Y289-V421 HydrophobicContact CE1-CG1 4.07Å; Y289-V421 HydrophobicContact CE1-CG2 4.34Å; Y289-V436 HydrophobicContact CD2-CG1 4.38Å; Y289-V436 HydrophobicContact CE2-CB 4.47Å; Y289-V436 HydrophobicContact CE2-CG1 3.82Å; Y289-L438 HydrophobicContact CD1-CD2 4.42Å; Y289-L438 HydrophobicContact CD2-CD2 4.09Å; Y289-L438 HydrophobicContact CG-CD2 3.92Å
290	M	97.3	Very high	96.2	Very high	10 Å²	10	53.5 Å²	53.5	5%	0.049	32%	0.316	C	S	.	.	H	α-helix	trans	-66	-38.4	-178	-65.7	-54.2	-60.7	0	0	112.4	Y254 L286 G292 Q293 I295 L298 L388	Y254-M290 HydrophobicContact CD1-CE 4Å; Y254-M290 HydrophobicContact CD1-SD 4.04Å; Y254-M290 HydrophobicContact CD2-CE 3.93Å; Y254-M290 HydrophobicContact CE1-CE 4.24Å; Y254-M290 HydrophobicContact CE1-SD 4.42Å; Y254-M290 HydrophobicContact CE2-CE 4.22Å; Y254-M290 HydrophobicContact CG-CE 3.83Å; Y254-M290 HydrophobicContact CG-SD 4.32Å; L286-M290 HydrophobicContact CD1-CG 4.01Å; L286-M290 HydrophobicContact CD1-SD 4.45Å; L286-M290 HydrophobicContact CG-CG 4.4Å; L286-M290 WeakPolarHBondContact O-CB 3.46Å; L286-M290 VanDerWaalsContact O-CG 3.3Å; L286-M290 WeakPolarHBondContact O-CG 3.47Å; L286-M290 PolarHBondContact O-N 3.42Å; M290-G292 VanDerWaalsContact C-N 3.31Å; M290-G292 PolarHBondContact O-N 3.4Å; M290-Q293 WeakPolarHBondContact O-CB 3.39Å; M290-Q293 PolarHBondContact O-N 2.95Å; M290-I295 HydrophobicContact CE-CD1 3.8Å; M290-L298 HydrophobicContact CB-CD2 4.44Å; M290-L298 HydrophobicContact CE-CD1 4.05Å; M290-L298 HydrophobicContact CE-CD2 3.51Å; M290-L298 HydrophobicContact CE-CG 4.45Å; M290-L388 HydrophobicContact CE-CB 4.33Å; M290-L388 HydrophobicContact CE-CD2 4.37Å; M290-L388 HydrophobicContact CG-CD2 4.01Å; M290-L388 HydrophobicContact SD-CD2 4.42Å
291	R	95	Very high	96.2	Very high	147 Å²	147	51.1 Å²	51.1	56%	0.555	30%	0.296	S	S	*	.	H	α-helix	trans	-61.4	-40.6	171.2	-75.1	-172.9	-64.3	-92.7	1.2	111.8	G287 A288 Y289 Q293 S294 L315	G287-R291 WeakPolarHBondContact O-CB 3.3Å; G287-R291 WeakPolarHBondContact O-CG 3.48Å; G287-R291 PolarHBondContact O-N 3.47Å; G287-R291 VanDerWaalsContact O-N 3.09Å; A288-R291 PolarHBondContact O-N 2.95Å; Y289-R291 PolarHBondContact O-N 3.36Å; R291-Q293 PolarHBondContact O-N 3.39Å; R291-S294 PolarHBondContact O-N 2.95Å; R291-S294 VanDerWaalsContact O-N 3.12Å; R291-L315 PolarHBondContact NH1-O 3.4Å; R291-L315 VanDerWaalsContact NH1-O 3.16Å
292	G	95.2	Very high	96.2	Very high	57 Å²	57	46.1 Å²	46.1	59%	0.588	27%	0.274	S	S	*	.	H	α-helix	trans	-62.6	-26.6	176.3	0	0	0	0	0	114.1	A288 Y289 M290 S294	A288-G292 PolarHBondContact O-N 2.96Å; Y289-G292 WeakPolarHBondContact O-CA 3.33Å; Y289-G292 PolarHBondContact O-N 3.07Å; Y289-G292 VanDerWaalsContact O-N 3.11Å; M290-G292 VanDerWaalsContact C-N 3.31Å; M290-G292 PolarHBondContact O-N 3.4Å; G292-S294 PolarHBondContact O-N 3.45Å
293	Q	94.8	Very high	96.2	Very high	69 Å²	69	46.1 Å²	46.1	32%	0.322	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-16.4	175.8	-60.2	-58.1	-72.4	0	0	113.4	Y289 M290 R291 I295	Y289-Q293 HydrophobicContact CE1-CG 4.18Å; Y289-Q293 WeakPolarHBondContact O-CG 3.45Å; Y289-Q293 PolarHBondContact O-N 2.63Å; Y289-Q293 VanDerWaalsContact O-N 3.14Å; M290-Q293 WeakPolarHBondContact O-CB 3.39Å; M290-Q293 PolarHBondContact O-N 2.95Å; R291-Q293 PolarHBondContact O-N 3.39Å; Q293-I295 VanDerWaalsContact C-N 3.25Å; Q293-I295 HydrophobicContact CB-CD1 3.6Å; Q293-I295 HydrophobicContact CB-CG1 3.64Å; Q293-I295 HydrophobicContact CG-CD1 4.25Å; Q293-I295 PolarHBondContact O-N 3.15Å
294	S	92.3	Very high	96.2	Very high	110 Å²	110	50 Å²	50	77%	0.769	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	40.8	178.3	-54.4	0	0	0	0	113.9	R291 G292	R291-S294 PolarHBondContact O-N 2.95Å; R291-S294 VanDerWaalsContact O-N 3.12Å; G292-S294 PolarHBondContact O-N 3.45Å
295	I	92.6	Very high	96.3	Very high	39 Å²	39	48.7 Å²	48.7	20%	0.2	28%	0.277	C	S	.	.			trans	-80.5	123.2	-177.3	-57.5	159.9	0	0	0	109.3	Y254 M290 Q293 L298 N386	Y254-I295 HydrophobicContact CD2-CD1 4.37Å; Y254-I295 HydrophobicContact CE1-CD1 4.45Å; Y254-I295 HydrophobicContact CE2-CD1 3.46Å; Y254-I295 VanDerWaalsContact CE2-CD1 3.46Å; Y254-I295 WeakPolarHBondContact OH-CD1 3.33Å; M290-I295 HydrophobicContact CE-CD1 3.8Å; Q293-I295 VanDerWaalsContact C-N 3.25Å; Q293-I295 HydrophobicContact CB-CD1 3.6Å; Q293-I295 HydrophobicContact CB-CG1 3.64Å; Q293-I295 HydrophobicContact CG-CD1 4.25Å; Q293-I295 PolarHBondContact O-N 3.15Å; I295-L298 HydrophobicContact CB-CB 4.36Å; I295-L298 HydrophobicContact CD1-CD1 4.35Å; I295-L298 HydrophobicContact CG2-CB 4.1Å; I295-L298 HydrophobicContact CG2-CD1 4.45Å; I295-N386 HydrophobicContact CG2-CB 3.54Å
296	S	87.6	Confident	96.3	Very high	85 Å²	85	52.2 Å²	52.2	59%	0.594	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	140.3	169.9	54	0	0	0	0	110.9	L298	S296-L298 VanDerWaalsContact C-N 3.25Å; S296-L298 PolarHBondContact O-N 2.84Å
297	D	89.4	Confident	96.3	Very high	148 Å²	148	52.6 Å²	52.6	79%	0.791	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	36	173	-55.3	-43.6	0	0	0	114.9	K299	D297-K299 PolarHBondContact O-N 3.19Å
298	L	95.6	Very high	96.3	Very high	44 Å²	44	52.6 Å²	52.6	23%	0.23	29%	0.288	C	S	.	.			trans	-62.3	118.8	174.5	177.9	69	0	0	0	110.6	M290 I295 S296 V300 N386 L388	M290-L298 HydrophobicContact CB-CD2 4.44Å; M290-L298 HydrophobicContact CE-CD1 4.05Å; M290-L298 HydrophobicContact CE-CD2 3.51Å; M290-L298 HydrophobicContact CE-CG 4.45Å; I295-L298 HydrophobicContact CB-CB 4.36Å; I295-L298 HydrophobicContact CD1-CD1 4.35Å; I295-L298 HydrophobicContact CG2-CB 4.1Å; I295-L298 HydrophobicContact CG2-CD1 4.45Å; S296-L298 VanDerWaalsContact C-N 3.25Å; S296-L298 PolarHBondContact O-N 2.84Å; L298-V300 HydrophobicContact CD2-CG2 4.36Å; L298-V300 HydrophobicContact CG-CG2 4.38Å; L298-N386 HydrophobicContact CD1-CB 4.39Å; L298-L388 HydrophobicContact CD1-CB 4.13Å
299	K	98.1	Very high	96.4	Very high	72 Å²	72	51.5 Å²	51.5	31%	0.313	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	140.8	168.4	-62.7	-171.1	176.6	-172.3	0	110.6	D297 Q384 N386 V387 L388	D297-K299 PolarHBondContact O-N 3.19Å; K299-Q384 HydrophobicContact CD-CG 4.29Å; K299-N386 PolarHBondContact N-O 3.29Å; K299-V387 HydrophobicContact CB-CG1 4.47Å; K299-V387 HydrophobicContact CB-CG2 4.37Å; K299-V387 CarbonylContact O-C 3.51Å; K299-V387 WeakPolarHBondContact O-CA 3.48Å; K299-L388 PolarHBondContact O-N 2.99Å
300	V	98.7	Very high	96.4	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.3	177	-176.7	0	0	0	0	109.3	L298 A312 L315 V317 Y319 E320 L388 I390	L298-V300 HydrophobicContact CD2-CG2 4.36Å; L298-V300 HydrophobicContact CG-CG2 4.38Å; V300-A312 HydrophobicContact CG1-CB 4.37Å; V300-L315 HydrophobicContact CG1-CD2 4.16Å; V300-L315 HydrophobicContact CG2-CD2 4.12Å; V300-V317 HydrophobicContact CG2-CG2 3.73Å; V300-Y319 CarbonylContact O-C 3.6Å; V300-Y319 WeakPolarHBondContact O-CA 3.3Å; V300-Y319 WeakPolarHBondContact O-CB 3.36Å; V300-E320 PolarHBondContact O-N 3.23Å; V300-L388 CarbonylContact C-O 3.55Å; V300-L388 WeakPolarHBondContact CA-O 3.47Å; V300-L388 HydrophobicContact CG1-CD2 4.3Å; V300-L388 HydrophobicContact CG2-CB 4.42Å; V300-L388 HydrophobicContact CG2-CD2 4.37Å; V300-I390 HydrophobicContact CG1-CD1 4.09Å
301	W	98.9	Very high	96.5	Very high	1 Å²	1	52.4 Å²	52.4	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.9	177.6	-60.1	-18.1	0	0	0	111.2	E320 W322 L325 V377 E380 L381 Q384 V387 L388 V389 I390	W301-E320 CarbonylContact C-O 3.58Å; W301-E320 WeakPolarHBondContact CA-O 3.3Å; W301-E320 PolarHBondContact NE1-OE2 3.02Å; W301-W322 AromaticContact CD1-NE1 3.71Å; W301-W322 AromaticContact CD2-NE1 3.97Å; W301-W322 AromaticContact CG-NE1 3.76Å; W301-W322 HydrophobicContact CZ2-CZ2 4.37Å; W301-W322 AromaticContact NE1-NE1 3.9Å; W301-L325 HydrophobicContact CB-CD1 4.01Å; W301-V377 HydrophobicContact CE3-CG1 4.36Å; W301-V377 HydrophobicContact CZ3-CG1 4.1Å; W301-E380 HydrophobicContact CH2-CB 3.74Å; W301-E380 HydrophobicContact CH2-CG 3.42Å; W301-E380 VanDerWaalsContact CH2-CG 3.42Å; W301-E380 HydrophobicContact CZ2-CB 4.41Å; W301-E380 HydrophobicContact CZ2-CG 3.6Å; W301-E380 HydrophobicContact CZ3-CB 4.42Å; W301-E380 HydrophobicContact CZ3-CG 4.45Å; W301-L381 HydrophobicContact CE3-CD2 4.05Å; W301-L381 HydrophobicContact CH2-CD2 3.82Å; W301-L381 HydrophobicContact CH2-CG 4.14Å; W301-L381 HydrophobicContact CZ3-CD2 3.36Å; W301-L381 HydrophobicContact CZ3-CG 3.6Å; W301-Q384 HydrophobicContact CH2-CG 4.1Å; W301-Q384 HydrophobicContact CZ2-CG 3.8Å; W301-V387 HydrophobicContact CD2-CG1 3.69Å; W301-V387 HydrophobicContact CE3-CG1 3.88Å; W301-V387 HydrophobicContact CG-CG1 4.18Å; W301-V387 HydrophobicContact CH2-CG1 4.24Å; W301-V387 HydrophobicContact CZ2-CG1 4.12Å; W301-V387 HydrophobicContact CZ2-CG2 4.38Å; W301-V387 HydrophobicContact CZ3-CG1 4.18Å; W301-L388 PolarHBondContact N-O 3.31Å; W301-V389 HydrophobicContact CE3-CG2 4Å; W301-I390 PolarHBondContact O-N 3.26Å
302	T	98.9	Very high	96.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	168.7	175.6	71.7	0	0	0	0	110.6	A312 Y319 E320 W322 I390	T302-A312 HydrophobicContact CG2-CB 3.38Å; T302-Y319 HydrophobicContact CG2-CD2 3.76Å; T302-Y319 HydrophobicContact CG2-CE2 4.43Å; T302-Y319 HydrophobicContact CG2-CG 4.27Å; T302-E320 PolarHBondContact N-O 3.43Å; T302-W322 PolarHBondContact O-N 3.25Å; T302-I390 WeakPolarHBondContact CA-O 3.35Å
303	S	98.8	Very high	96.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.251	C	S	.	.			trans	-78.9	-176.4	159.6	98.6	0	0	0	0	111.2	M305 T308 W322 L325 N326 H392	S303-M305 VanDerWaalsContact C-N 3.25Å; S303-M305 VanDerWaalsContact OG-CB 3.31Å; S303-M305 WeakPolarHBondContact OG-CB 3.42Å; S303-M305 PolarHBondContact OG-N 3.01Å; S303-T308 PolarHBondContact N-OG1 3.35Å; S303-T308 PolarHBondContact O-OG1 3.03Å; S303-T308 PolarHBondContact OG-OG1 3.37Å; S303-W322 WeakPolarHBondContact CA-O 3.38Å; S303-L325 WeakPolarHBondContact CB-O 3.35Å; S303-N326 VanDerWaalsContact CB-OD1 3.23Å; S303-N326 WeakPolarHBondContact CB-OD1 3.22Å; S303-N326 PolarHBondContact OG-OD1 3.43Å; S303-N326 VanDerWaalsContact OG-OD1 3.11Å; S303-H392 WeakPolarHBondContact CB-NE2 3.43Å; S303-H392 PolarHBondContact OG-NE2 3.24Å
304	H	98.7	Very high	96.9	Very high	84 Å²	84	46.8 Å²	46.8	39%	0.389	25%	0.252	S	S	.	.	S	Bend	trans	-85.5	4.5	171.4	-71.3	-161.6	0	0	0	112.7	Q321 W322 K323 N326	H304-Q321 VanDerWaalsContact CD2-C 3.48Å; H304-Q321 VanDerWaalsContact CD2-CB 3.43Å; H304-Q321 WeakPolarHBondContact CD2-CB 3.44Å; H304-Q321 VanDerWaalsContact NE2-C 3.31Å; H304-Q321 PolarHBondContact NE2-O 3.11Å; H304-W322 VanDerWaalsContact CD2-C 3.46Å; H304-K323 PolarHBondContact CD2-N 2.75Å; H304-K323 VanDerWaalsContact CD2-N 3.34Å; H304-K323 PolarHBondContact NE2-N 3.47Å; H304-N326 PolarHBondContact N-OD1 2.9Å
305	M	98.8	Very high	97	Very high	27 Å²	27	42 Å²	42	13%	0.133	22%	0.218	C	C	.	.	S	Bend	trans	-91.8	137.8	-176.1	-68.9	166.9	163.3	0	0	110.7	D272 S303 R307 T308 I309 N326 E327 H392	D272-M305 WeakPolarHBondContact OD1-CA 3.32Å; D272-M305 VanDerWaalsContact OD1-CB 3.28Å; D272-M305 WeakPolarHBondContact OD1-CB 3.41Å; S303-M305 VanDerWaalsContact C-N 3.25Å; S303-M305 VanDerWaalsContact OG-CB 3.31Å; S303-M305 WeakPolarHBondContact OG-CB 3.42Å; S303-M305 PolarHBondContact OG-N 3.01Å; M305-R307 VanDerWaalsContact C-N 3.3Å; M305-R307 PolarHBondContact O-N 3.2Å; M305-R307 VanDerWaalsContact O-N 3.15Å; M305-R307 PolarHBondContact SD-NH2 2.74Å; M305-T308 PolarHBondContact O-N 2.72Å; M305-T308 PolarHBondContact O-OG1 3.03Å; M305-I309 PolarHBondContact O-N 3.03Å; M305-N326 HydrophobicContact CE-CB 3.89Å; M305-N326 HydrophobicContact SD-CB 4.16Å; M305-E327 HydrophobicContact CE-CB 4.1Å; M305-E327 HydrophobicContact SD-CB 3.96Å; M305-E327 PolarHBondContact SD-N 3.48Å; M305-E327 VanDerWaalsContact SD-N 3.45Å; M305-H392 PolarHBondContact SD-CE1 3.31Å; M305-H392 PolarHBondContact SD-NE2 3.18Å
306	K	98.8	Very high	97	Very high	102 Å²	102	43.4 Å²	43.4	44%	0.443	24%	0.242	S	C	.	.	H	α-helix	trans	-47.9	-47.1	-171.5	-175.1	177.9	-179.3	179.9	0	113.1	D272 T308 I309 Q310	D272-K306 PolarHBondContact OD1-N 2.9Å; K306-T308 PolarHBondContact O-N 2.83Å; K306-I309 PolarHBondContact O-N 2.99Å; K306-Q310 HydrophobicContact CG-CG 4.17Å; K306-Q310 WeakPolarHBondContact O-CB 3.36Å; K306-Q310 VanDerWaalsContact O-CG 3.32Å; K306-Q310 WeakPolarHBondContact O-CG 3.32Å; K306-Q310 PolarHBondContact O-N 2.84Å
307	R	98.8	Very high	97.4	Very high	8 Å²	8	42.9 Å²	42.9	3%	0.03	24%	0.235	C	C	.	.	H	α-helix	trans	-59.6	-37.3	-179.9	58.4	-166.8	-177.8	-93.9	5.4	114.5	H258 G271 L275 M305 T311 H392	H258-R307 HydrophobicContact CB-CB 3.95Å; H258-R307 HydrophobicContact CB-CG 3.91Å; H258-R307 PolarHBondContact CD2-NE 2.83Å; H258-R307 VanDerWaalsContact CE1-CD 3.49Å; H258-R307 WeakPolarHBondContact CE1-CD 3.45Å; H258-R307 WeakPolarHBondContact NE2-CD 3.38Å; H258-R307 PolarHBondContact NE2-NE 3.25Å; H258-R307 VanDerWaalsContact NE2-NE 3.18Å; G271-R307 PolarHBondContact O-NH1 3.3Å; L275-R307 HydrophobicContact CD2-CB 4.08Å; M305-R307 VanDerWaalsContact C-N 3.3Å; M305-R307 PolarHBondContact O-N 3.2Å; M305-R307 VanDerWaalsContact O-N 3.15Å; M305-R307 PolarHBondContact SD-NH2 2.74Å; R307-T311 WeakPolarHBondContact O-CB 3.49Å; R307-T311 PolarHBondContact O-N 2.86Å; R307-T311 PolarHBondContact O-OG1 3.26Å; R307-H392 PolarHBondContact NE-CE1 3.04Å; R307-H392 VanDerWaalsContact NE-CE1 3.25Å; R307-H392 PolarHBondContact NE-ND1 3.01Å; R307-H392 VanDerWaalsContact NE-ND1 3.1Å; R307-H392 PolarHBondContact NH2-CE1 3.38Å; R307-H392 PolarHBondContact NH2-ND1 3.37Å
308	T	98.9	Very high	97.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-73.7	-40.3	177	63.1	0	0	0	0	111.3	H258 S303 M305 K306 T311 A312 I390 H392	H258-T308 HydrophobicContact CB-CG2 3.97Å; S303-T308 PolarHBondContact N-OG1 3.35Å; S303-T308 PolarHBondContact O-OG1 3.03Å; S303-T308 PolarHBondContact OG-OG1 3.37Å; M305-T308 PolarHBondContact O-N 2.72Å; M305-T308 PolarHBondContact O-OG1 3.03Å; K306-T308 PolarHBondContact O-N 2.83Å; T308-T311 WeakPolarHBondContact O-CB 3.21Å; T308-T311 PolarHBondContact O-N 2.99Å; T308-A312 PolarHBondContact O-N 2.75Å; T308-I390 HydrophobicContact CG2-CG2 4.39Å; T308-H392 VanDerWaalsContact CG2-CE1 3.45Å; T308-H392 WeakPolarHBondContact CG2-CE1 3.2Å; T308-H392 WeakPolarHBondContact CG2-NE2 3.38Å
309	I	98.9	Very high	97.8	Very high	32 Å²	32	44.8 Å²	44.8	16%	0.164	24%	0.237	C	C	.	.	H	α-helix	trans	-63.6	-50.7	178.1	-63.5	167.4	0	0	0	110.1	M305 K306 T311 A312 E313 Y319 Q321	M305-I309 PolarHBondContact O-N 3.03Å; K306-I309 PolarHBondContact O-N 2.99Å; I309-T311 PolarHBondContact O-N 2.91Å; I309-A312 PolarHBondContact O-N 2.85Å; I309-E313 HydrophobicContact CG2-CG 4.38Å; I309-E313 WeakPolarHBondContact O-CG 3.42Å; I309-E313 PolarHBondContact O-N 3.45Å; I309-Y319 HydrophobicContact CG2-CE2 4.21Å; I309-Y319 WeakPolarHBondContact CG2-OH 3.28Å; I309-Q321 VanDerWaalsContact CD1-OE1 3.3Å
310	Q	98.8	Very high	97.9	Very high	73 Å²	73	45.6 Å²	45.6	34%	0.341	24%	0.241	S	C	.	.	H	α-helix	trans	-58.8	-33.9	176.3	-73	-178.7	-43	0	0	112.7	L275 K306	L275-Q310 HydrophobicContact CD1-CB 3.67Å; L275-Q310 HydrophobicContact CG-CB 3.87Å; K306-Q310 HydrophobicContact CG-CG 4.17Å; K306-Q310 WeakPolarHBondContact O-CB 3.36Å; K306-Q310 VanDerWaalsContact O-CG 3.32Å; K306-Q310 WeakPolarHBondContact O-CG 3.32Å; K306-Q310 PolarHBondContact O-N 2.84Å
311	T	98.9	Very high	97.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67	-44.5	174.7	-56.1	0	0	0	0	110.7	G259 F282 A283 L286 R307 T308 I309 A314 L315 I390	G259-T311 PolarHBondContact N-OG1 3.15Å; F282-T311 HydrophobicContact CD1-CG2 4.36Å; F282-T311 HydrophobicContact CE1-CG2 4.06Å; A283-T311 HydrophobicContact CB-CG2 4.08Å; L286-T311 HydrophobicContact CD2-CG2 3.9Å; R307-T311 WeakPolarHBondContact O-CB 3.49Å; R307-T311 PolarHBondContact O-N 2.86Å; R307-T311 PolarHBondContact O-OG1 3.26Å; T308-T311 WeakPolarHBondContact O-CB 3.21Å; T308-T311 PolarHBondContact O-N 2.99Å; I309-T311 PolarHBondContact O-N 2.91Å; T311-A314 PolarHBondContact O-N 3.34Å; T311-L315 VanDerWaalsContact O-CD1 3.22Å; T311-L315 WeakPolarHBondContact O-CD1 3.31Å; T311-I390 HydrophobicContact CG2-CD1 4.18Å; T311-I390 HydrophobicContact CG2-CG2 3.91Å
312	A	98.6	Very high	97.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-68.4	-37.5	179.2	0	0	0	0	0	113.4	V300 T302 T308 I309 A314 L315 Y319 I390	V300-A312 HydrophobicContact CG1-CB 4.37Å; T302-A312 HydrophobicContact CG2-CB 3.38Å; T308-A312 PolarHBondContact O-N 2.75Å; I309-A312 PolarHBondContact O-N 2.85Å; A312-A314 PolarHBondContact O-N 2.85Å; A312-L315 VanDerWaalsContact O-CB 3.31Å; A312-L315 WeakPolarHBondContact O-CB 3.45Å; A312-L315 PolarHBondContact O-N 3.1Å; A312-Y319 HydrophobicContact CB-CD1 3.97Å; A312-Y319 HydrophobicContact CB-CD2 4.28Å; A312-Y319 HydrophobicContact CB-CE1 4.41Å; A312-Y319 HydrophobicContact CB-CG 3.92Å; A312-I390 HydrophobicContact CB-CD1 3.9Å
313	E	98.3	Very high	97.8	Very high	113 Å²	113	59.5 Å²	59.5	53%	0.528	30%	0.301	S	S	.	.	H	α-helix	trans	-54.1	-37.1	176.2	-76.5	-66.2	154.9	0	0	112.1	I309 L315 G316 Y319	I309-E313 HydrophobicContact CG2-CG 4.38Å; I309-E313 WeakPolarHBondContact O-CG 3.42Å; I309-E313 PolarHBondContact O-N 3.45Å; E313-L315 PolarHBondContact O-N 3.25Å; E313-G316 PolarHBondContact O-N 3.49Å; E313-G316 VanDerWaalsContact O-N 3.14Å; E313-Y319 HydrophobicContact CG-CE1 4.34Å; E313-Y319 WeakPolarHBondContact OE1-CE1 3.28Å; E313-Y319 VanDerWaalsContact OE1-CZ 3.25Å; E313-Y319 PolarHBondContact OE1-OH 3.21Å
314	A	95.6	Very high	97.8	Very high	42 Å²	42	60.5 Å²	60.5	35%	0.347	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.5	178.5	0	0	0	0	0	114.3	A283 T311 A312 G316	A283-A314 HydrophobicContact CB-CB 3.57Å; T311-A314 PolarHBondContact O-N 3.34Å; A312-A314 PolarHBondContact O-N 2.85Å; A314-G316 VanDerWaalsContact C-N 3.32Å
315	L	95.3	Very high	97.8	Very high	8 Å²	8	56.5 Å²	56.5	4%	0.042	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-26.8	175.2	-76.9	54.8	0	0	0	111.3	L286 R291 V300 T311 A312 E313 V317 L388 I390	L286-L315 HydrophobicContact CD2-CD1 4.24Å; L286-L315 HydrophobicContact CG-CD1 4.25Å; R291-L315 PolarHBondContact NH1-O 3.4Å; R291-L315 VanDerWaalsContact NH1-O 3.16Å; V300-L315 HydrophobicContact CG1-CD2 4.16Å; V300-L315 HydrophobicContact CG2-CD2 4.12Å; T311-L315 VanDerWaalsContact O-CD1 3.22Å; T311-L315 WeakPolarHBondContact O-CD1 3.31Å; A312-L315 VanDerWaalsContact O-CB 3.31Å; A312-L315 WeakPolarHBondContact O-CB 3.45Å; A312-L315 PolarHBondContact O-N 3.1Å; E313-L315 PolarHBondContact O-N 3.25Å; L315-V317 HydrophobicContact CB-CG2 3.9Å; L315-V317 HydrophobicContact CD2-CG2 4.4Å; L315-L388 HydrophobicContact CD2-CD2 3.58Å; L315-I390 HydrophobicContact CD2-CD1 4.33Å
316	G	93.5	Very high	97.9	Very high	70 Å²	70	56.7 Å²	56.7	72%	0.722	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	29	-177.4	0	0	0	0	0	113.9	E313 A314	E313-G316 PolarHBondContact O-N 3.49Å; E313-G316 VanDerWaalsContact O-N 3.14Å; A314-G316 VanDerWaalsContact C-N 3.32Å
317	V	94.3	Very high	97.9	Very high	73 Å²	73	53.1 Å²	53.1	44%	0.442	28%	0.278	S	S	.	.	S	Bend	trans	-126.9	162	179.6	-58.3	0	0	0	0	110.8	V300 L315	V300-V317 HydrophobicContact CG2-CG2 3.73Å; L315-V317 HydrophobicContact CB-CG2 3.9Å; L315-V317 HydrophobicContact CD2-CG2 4.4Å
318	Q	96.9	Very high	97.8	Very high	182 Å²	182	53.5 Å²	53.5	85%	0.85	28%	0.28	S	S	*	.			trans	-63.5	139.8	172.4	-68.8	-74.1	-49.2	0	0	110.4
319	Y	98.4	Very high	97.8	Very high	51 Å²	51	56.8 Å²	56.8	20%	0.2	30%	0.298	C	S	.	.			trans	-139.1	155.2	176.7	62.4	-89.8	0	0	0	110.7	V300 T302 I309 A312 E313 Q321	V300-Y319 CarbonylContact O-C 3.6Å; V300-Y319 WeakPolarHBondContact O-CA 3.3Å; V300-Y319 WeakPolarHBondContact O-CB 3.36Å; T302-Y319 HydrophobicContact CG2-CD2 3.76Å; T302-Y319 HydrophobicContact CG2-CE2 4.43Å; T302-Y319 HydrophobicContact CG2-CG 4.27Å; I309-Y319 HydrophobicContact CG2-CE2 4.21Å; I309-Y319 WeakPolarHBondContact CG2-OH 3.28Å; A312-Y319 HydrophobicContact CB-CD1 3.97Å; A312-Y319 HydrophobicContact CB-CD2 4.28Å; A312-Y319 HydrophobicContact CB-CE1 4.41Å; A312-Y319 HydrophobicContact CB-CG 3.92Å; E313-Y319 HydrophobicContact CG-CE1 4.34Å; E313-Y319 WeakPolarHBondContact OE1-CE1 3.28Å; E313-Y319 VanDerWaalsContact OE1-CZ 3.25Å; E313-Y319 PolarHBondContact OE1-OH 3.21Å; Y319-Q321 HydrophobicContact CD2-CG 4.06Å; Y319-Q321 HydrophobicContact CE2-CG 3.77Å
320	E	98.6	Very high	97.8	Very high	88 Å²	88	55.3 Å²	55.3	41%	0.411	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134	179	-62.7	170.3	-159.4	0	0	110.1	V300 W301 T302 W322	V300-E320 PolarHBondContact O-N 3.23Å; W301-E320 CarbonylContact C-O 3.58Å; W301-E320 WeakPolarHBondContact CA-O 3.3Å; W301-E320 PolarHBondContact NE1-OE2 3.02Å; T302-E320 PolarHBondContact N-O 3.43Å; E320-W322 PolarHBondContact OE2-NE1 3.25Å
321	Q	98.8	Very high	97.8	Very high	88 Å²	88	52.7 Å²	52.7	41%	0.411	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.3	-179.2	-49.6	-172.3	20.8	0	0	111	H304 I309 Y319	H304-Q321 VanDerWaalsContact CD2-C 3.48Å; H304-Q321 VanDerWaalsContact CD2-CB 3.43Å; H304-Q321 WeakPolarHBondContact CD2-CB 3.44Å; H304-Q321 VanDerWaalsContact NE2-C 3.31Å; H304-Q321 PolarHBondContact NE2-O 3.11Å; I309-Q321 VanDerWaalsContact CD1-OE1 3.3Å; Y319-Q321 HydrophobicContact CD2-CG 4.06Å; Y319-Q321 HydrophobicContact CE2-CG 3.77Å
322	W	98.8	Very high	97.7	Very high	60 Å²	60	55.1 Å²	55.1	23%	0.227	30%	0.298	C	S	.	.			trans	-113.1	116.2	-178.7	-66.5	66.2	0	0	0	110.4	W301 T302 S303 H304 E320 A324 L325 V377 E380	W301-W322 AromaticContact CD1-NE1 3.71Å; W301-W322 AromaticContact CD2-NE1 3.97Å; W301-W322 AromaticContact CG-NE1 3.76Å; W301-W322 HydrophobicContact CZ2-CZ2 4.37Å; W301-W322 AromaticContact NE1-NE1 3.9Å; T302-W322 PolarHBondContact O-N 3.25Å; S303-W322 WeakPolarHBondContact CA-O 3.38Å; H304-W322 VanDerWaalsContact CD2-C 3.46Å; E320-W322 PolarHBondContact OE2-NE1 3.25Å; W322-A324 PolarHBondContact O-N 3.31Å; W322-L325 HydrophobicContact CB-CB 4.23Å; W322-L325 HydrophobicContact CB-CD1 3.92Å; W322-L325 HydrophobicContact CB-CG 3.95Å; W322-L325 HydrophobicContact CG-CD1 4.33Å; W322-L325 WeakPolarHBondContact O-CB 3.48Å; W322-L325 PolarHBondContact O-N 3.42Å; W322-V377 HydrophobicContact CE3-CG2 4.12Å; W322-E380 HydrophobicContact CH2-CB 4.05Å; W322-E380 HydrophobicContact CH2-CG 3.86Å; W322-E380 HydrophobicContact CZ2-CG 4.16Å
323	K	98.6	Very high	97.7	Very high	148 Å²	148	55.1 Å²	55.1	64%	0.643	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-59.6	-33	175.9	-168.2	179	179.4	-171.9	0	111.7	H304 L325 N326	H304-K323 PolarHBondContact CD2-N 2.75Å; H304-K323 VanDerWaalsContact CD2-N 3.34Å; H304-K323 PolarHBondContact NE2-N 3.47Å; K323-L325 PolarHBondContact O-N 2.88Å; K323-L325 VanDerWaalsContact O-N 3.16Å; K323-N326 WeakPolarHBondContact O-CB 3.28Å; K323-N326 PolarHBondContact O-N 3.15Å
324	A	98.6	Very high	97.6	Very high	22 Å²	22	52.5 Å²	52.5	18%	0.182	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-61.5	-18.1	175	0	0	0	0	0	113.7	W322 R373 L374 V377	W322-A324 PolarHBondContact O-N 3.31Å; A324-R373 HydrophobicContact CB-CG 4.2Å; A324-R373 PolarHBondContact O-NH1 2.85Å; A324-L374 WeakPolarHBondContact O-CD2 3.49Å; A324-V377 HydrophobicContact CB-CG2 3.9Å
325	L	98.9	Very high	97.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-89.9	2.5	174.8	-73.9	177.1	0	0	0	113.4	W301 S303 W322 K323 L374 V377 V389 C391 H392 V395 L399	W301-L325 HydrophobicContact CB-CD1 4.01Å; S303-L325 WeakPolarHBondContact CB-O 3.35Å; W322-L325 HydrophobicContact CB-CB 4.23Å; W322-L325 HydrophobicContact CB-CD1 3.92Å; W322-L325 HydrophobicContact CB-CG 3.95Å; W322-L325 HydrophobicContact CG-CD1 4.33Å; W322-L325 WeakPolarHBondContact O-CB 3.48Å; W322-L325 PolarHBondContact O-N 3.42Å; K323-L325 PolarHBondContact O-N 2.88Å; K323-L325 VanDerWaalsContact O-N 3.16Å; L325-L374 HydrophobicContact CD2-CD2 3.96Å; L325-V377 HydrophobicContact CD2-CG1 3.96Å; L325-V377 HydrophobicContact CD2-CG2 4.29Å; L325-V377 HydrophobicContact CG-CG1 4.5Å; L325-V377 HydrophobicContact CG-CG2 4.29Å; L325-V389 HydrophobicContact CD1-CG1 3.73Å; L325-V389 HydrophobicContact CD2-CG1 3.9Å; L325-C391 HydrophobicContact CD2-CB 4.39Å; L325-H392 PolarHBondContact O-CD2 3.15Å; L325-V395 HydrophobicContact CD2-CG1 3.72Å; L325-L399 HydrophobicContact CD2-CD1 4.25Å
326	N	98.9	Very high	97.9	Very high	30 Å²	30	56.9 Å²	56.9	16%	0.16	30%	0.299	C	S	.	.	S	Bend	trans	-61.3	150.5	175.4	-79.7	2	0	0	0	110.9	S303 H304 M305 K323 R373 V395	S303-N326 VanDerWaalsContact CB-OD1 3.23Å; S303-N326 WeakPolarHBondContact CB-OD1 3.22Å; S303-N326 PolarHBondContact OG-OD1 3.43Å; S303-N326 VanDerWaalsContact OG-OD1 3.11Å; H304-N326 PolarHBondContact N-OD1 2.9Å; M305-N326 HydrophobicContact CE-CB 3.89Å; M305-N326 HydrophobicContact SD-CB 4.16Å; K323-N326 WeakPolarHBondContact O-CB 3.28Å; K323-N326 PolarHBondContact O-N 3.15Å; N326-R373 PolarHBondContact O-NH1 3.4Å; N326-R373 PolarHBondContact O-NH2 3.29Å; N326-R373 VanDerWaalsContact O-NH2 3.08Å; N326-V395 WeakPolarHBondContact O-CG2 3.11Å
327	E	98.8	Very high	98	Very high	27 Å²	27	54.2 Å²	54.2	13%	0.126	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-56	159	176.5	-171.1	54.9	-57.9	0	0	111.1	M305 D329 R373 H392 Q393 A394 V395	M305-E327 HydrophobicContact CE-CB 4.1Å; M305-E327 HydrophobicContact SD-CB 3.96Å; M305-E327 PolarHBondContact SD-N 3.48Å; M305-E327 VanDerWaalsContact SD-N 3.45Å; E327-D329 PolarHBondContact O-N 3.34Å; E327-R373 PolarHBondContact O-NH2 3.22Å; E327-R373 VanDerWaalsContact O-NH2 3.09Å; E327-H392 HydrophobicContact CB-CB 3.74Å; E327-H392 HydrophobicContact CG-CB 3.9Å; E327-H392 PolarHBondContact N-CD2 3.34Å; E327-H392 VanDerWaalsContact N-CD2 3.34Å; E327-H392 WeakPolarHBondContact OE1-CB 3.27Å; E327-H392 WeakPolarHBondContact OE2-CB 3.4Å; E327-Q393 PolarHBondContact OE2-N 3.5Å; E327-A394 WeakPolarHBondContact OE1-CB 3.46Å; E327-A394 PolarHBondContact OE1-N 2.98Å; E327-A394 VanDerWaalsContact OE1-N 3.11Å; E327-A394 PolarHBondContact OE2-N 2.84Å; E327-V395 PolarHBondContact OE1-N 2.93Å
328	I	98.6	Very high	98.1	Very high	16 Å²	16	52 Å²	52	8%	0.082	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-53.3	130.3	171.1	-167.9	170.6	0	0	0	110.3	A330 E365 Y367 L370 A394	I328-A330 PolarHBondContact O-N 3.42Å; I328-E365 HydrophobicContact CG1-CB 3.82Å; I328-Y367 HydrophobicContact CD1-CD2 4.23Å; I328-Y367 HydrophobicContact CD1-CE2 4.43Å; I328-L370 HydrophobicContact CB-CD2 4.27Å; I328-A394 HydrophobicContact CB-CB 3.84Å; I328-A394 HydrophobicContact CG2-CB 3.58Å
329	D	98.6	Very high	98	Very high	69 Å²	69	46 Å²	46	37%	0.369	22%	0.224	S	C	.	.			trans	-75.6	113.7	177.1	-170.7	-23.9	0	0	0	110	E327 G331 G364 E365	E327-D329 PolarHBondContact O-N 3.34Å; D329-G331 PolarHBondContact O-N 3.2Å; D329-G331 WeakPolarHBondContact OD1-CA 3.35Å; D329-G331 PolarHBondContact OD1-N 3.45Å; D329-G364 CarbonylContact O-C 3.59Å; D329-G364 VanDerWaalsContact O-CA 3.32Å; D329-G364 WeakPolarHBondContact O-CA 3.47Å; D329-E365 HydrophobicContact CB-CB 4.35Å; D329-E365 HydrophobicContact CB-CG 3.96Å; D329-E365 PolarHBondContact N-OE2 3.17Å; D329-E365 PolarHBondContact O-N 3.35Å
330	A	98.2	Very high	97.9	Very high	2 Å²	2	46 Å²	46	2%	0.017	23%	0.226	C	C	.	.			trans	-81.7	1.6	177.9	0	0	0	0	0	113.1	I269 I328 V332 C333 E334 Y361	I269-A330 HydrophobicContact CD1-CB 3.68Å; I269-A330 HydrophobicContact CG1-CB 4.25Å; I328-A330 PolarHBondContact O-N 3.42Å; A330-V332 PolarHBondContact O-N 3.08Å; A330-C333 HydrophobicContact CB-CB 4.14Å; A330-C333 WeakPolarHBondContact O-CB 3.46Å; A330-C333 PolarHBondContact O-N 2.79Å; A330-E334 HydrophobicContact CB-CG 4.18Å; A330-E334 WeakPolarHBondContact CB-OE1 3.34Å; A330-E334 PolarHBondContact N-OE1 3.12Å; A330-Y361 HydrophobicContact CB-CD1 4.34Å; A330-Y361 HydrophobicContact CB-CD2 4.33Å; A330-Y361 HydrophobicContact CB-CE1 4.32Å; A330-Y361 HydrophobicContact CB-CE2 4.31Å; A330-Y361 HydrophobicContact CB-CG 4.33Å; A330-Y361 WeakPolarHBondContact O-CB 3.48Å; A330-Y361 WeakPolarHBondContact O-CD1 3.21Å
331	G	97.9	Very high	97.8	Very high	18 Å²	18	42 Å²	42	19%	0.186	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	56.4	-119.1	176.5	0	0	0	0	0	112.2	D329 C333 E334 P362	D329-G331 PolarHBondContact O-N 3.2Å; D329-G331 WeakPolarHBondContact OD1-CA 3.35Å; D329-G331 PolarHBondContact OD1-N 3.45Å; G331-C333 PolarHBondContact O-N 3.47Å; G331-E334 WeakPolarHBondContact O-CB 3.41Å; G331-E334 WeakPolarHBondContact O-CG 3.32Å; G331-E334 PolarHBondContact O-N 3.04Å; G331-P362 WeakPolarHBondContact CA-O 3.5Å
332	V	97.6	Very high	97.6	Very high	51 Å²	51	38.8 Å²	38.8	31%	0.309	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-66.6	-13.6	177.9	-57.5	0	0	0	0	114.1	A330 Y345 P362 K363	A330-V332 PolarHBondContact O-N 3.08Å; V332-Y345 HydrophobicContact CG2-CE2 4.44Å; V332-P362 HydrophobicContact CG1-CB 4.42Å; V332-P362 HydrophobicContact CG2-CB 3.8Å; V332-P362 HydrophobicContact CG2-CG 3.97Å; V332-P362 PolarHBondContact N-O 3.12Å; V332-P362 VanDerWaalsContact N-O 3.08Å; V332-K363 HydrophobicContact CG1-CD 4.2Å; V332-K363 HydrophobicContact CG1-CG 4.48Å
333	C	98	Very high	97.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-98	7.4	179.1	-60.6	0	0	0	0	113.2	I269 A330 G331 M336 I341 Y361	I269-C333 HydrophobicContact CD1-CB 4.43Å; I269-C333 WeakPolarHBondContact CG1-O 3.34Å; A330-C333 HydrophobicContact CB-CB 4.14Å; A330-C333 WeakPolarHBondContact O-CB 3.46Å; A330-C333 PolarHBondContact O-N 2.79Å; G331-C333 PolarHBondContact O-N 3.47Å; C333-M336 PolarHBondContact O-N 2.87Å; C333-I341 HydrophobicContact CB-CD1 3.89Å; C333-I341 HydrophobicContact CB-CG1 3.97Å; C333-Y361 HydrophobicContact CB-CD1 3.9Å; C333-Y361 HydrophobicContact CB-CE1 3.82Å
334	E	97.9	Very high	97.2	Very high	57 Å²	57	41.1 Å²	41.1	27%	0.266	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	141.3	173.5	-77.8	-72.6	131.5	0	0	111.2	G270 G271 A330 G331 M336	G270-E334 WeakPolarHBondContact CA-OE2 3.44Å; G271-E334 PolarHBondContact N-OE2 3.35Å; A330-E334 HydrophobicContact CB-CG 4.18Å; A330-E334 WeakPolarHBondContact CB-OE1 3.34Å; A330-E334 PolarHBondContact N-OE1 3.12Å; G331-E334 WeakPolarHBondContact O-CB 3.41Å; G331-E334 WeakPolarHBondContact O-CG 3.32Å; G331-E334 PolarHBondContact O-N 3.04Å; E334-M336 PolarHBondContact O-N 2.95Å; E334-M336 VanDerWaalsContact O-N 3.15Å
335	E	97.5	Very high	97	Very high	110 Å²	110	44.1 Å²	44.1	51%	0.514	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	11.4	-179.1	-55.4	-174.8	-178.2	0	0	115.3	R268 I269	R268-E335 WeakPolarHBondContact CD-O 3.5Å; R268-E335 WeakPolarHBondContact CG-O 3.01Å; R268-E335 PolarHBondContact NH1-O 3.37Å; I269-E335 WeakPolarHBondContact O-CA 3.41Å; I269-E335 PolarHBondContact O-N 3.19Å
336	M	98	Very high	96.8	Very high	33 Å²	33	47.6 Å²	47.6	16%	0.163	24%	0.238	C	C	.	.			trans	-91.4	155.3	175	-66.3	-176.9	166.1	0	0	112.8	R268 I269 C333 E334 E340 I341 Y345	R268-M336 WeakPolarHBondContact CA-O 3.35Å; I269-M336 PolarHBondContact N-O 3.28Å; C333-M336 PolarHBondContact O-N 2.87Å; E334-M336 PolarHBondContact O-N 2.95Å; E334-M336 VanDerWaalsContact O-N 3.15Å; M336-E340 WeakPolarHBondContact CA-OE2 3.38Å; M336-E340 HydrophobicContact CB-CB 4.21Å; M336-I341 HydrophobicContact CB-CD1 4.22Å; M336-I341 HydrophobicContact CB-CG1 3.73Å; M336-I341 HydrophobicContact SD-CG1 4.11Å; M336-Y345 HydrophobicContact CE-CE2 4.06Å; M336-Y345 HydrophobicContact SD-CD2 4.49Å; M336-Y345 HydrophobicContact SD-CE2 4.01Å
337	T	97.1	Very high	96.4	Very high	13 Å²	13	52.6 Å²	52.6	8%	0.08	26%	0.26	C	S	.	.			trans	-80.1	168.2	163.3	80.1	0	0	0	0	110.9	R268 E339 E340 I341	R268-T337 HydrophobicContact CG-CG2 3.79Å; T337-E339 VanDerWaalsContact C-N 3.28Å; T337-E339 WeakPolarHBondContact CB-OE2 3.22Å; T337-E339 PolarHBondContact O-N 2.94Å; T337-E339 PolarHBondContact OG1-N 2.9Å; T337-E339 PolarHBondContact OG1-OE2 3.36Å; T337-E340 PolarHBondContact N-OE2 3.43Å; T337-E340 PolarHBondContact O-N 3.42Å; T337-E340 PolarHBondContact OG1-N 2.93Å; T337-I341 WeakPolarHBondContact O-CD1 3.4Å; T337-I341 VanDerWaalsContact O-CG1 3.24Å; T337-I341 WeakPolarHBondContact O-CG1 3.39Å; T337-I341 PolarHBondContact O-N 3.03Å; T337-I341 VanDerWaalsContact O-N 3.08Å
338	Y	95.3	Very high	96.2	Very high	27 Å²	27	52.8 Å²	52.8	11%	0.106	26%	0.261	C	S	.	.	H	α-helix	trans	-66.9	-33	176.9	-78.4	-59.2	0	0	0	112.3	I269 I341 Q342 F349 V466	I269-Y338 HydrophobicContact CG2-CE1 4.3Å; I269-Y338 HydrophobicContact CG2-CE2 4.21Å; Y338-I341 HydrophobicContact CD1-CD1 4.37Å; Y338-I341 PolarHBondContact O-N 3.43Å; Y338-Q342 WeakPolarHBondContact O-CB 3.4Å; Y338-Q342 PolarHBondContact O-N 3.43Å; Y338-F349 HydrophobicContact CD1-CE2 4.03Å; Y338-F349 HydrophobicContact CG-CE2 4.46Å; Y338-F349 WeakPolarHBondContact O-CE2 3.37Å; Y338-V466 HydrophobicContact CD2-CG1 3.97Å; Y338-V466 HydrophobicContact CD2-CG2 4.48Å; Y338-V466 HydrophobicContact CG-CG1 4.37Å; Y338-V466 HydrophobicContact CG-CG2 4.31Å
339	E	94.9	Very high	96.1	Very high	55 Å²	55	52.5 Å²	52.5	26%	0.257	26%	0.26	S	S	.	.	H	α-helix	trans	-64.4	-48.2	175	-57.7	73.8	-163.3	0	0	110.5	T337 I341 Q342 E343 L463 V466 H469	T337-E339 VanDerWaalsContact C-N 3.28Å; T337-E339 WeakPolarHBondContact CB-OE2 3.22Å; T337-E339 PolarHBondContact O-N 2.94Å; T337-E339 PolarHBondContact OG1-N 2.9Å; T337-E339 PolarHBondContact OG1-OE2 3.36Å; E339-I341 VanDerWaalsContact C-N 3.31Å; E339-I341 PolarHBondContact O-N 2.94Å; E339-Q342 PolarHBondContact O-N 2.83Å; E339-E343 WeakPolarHBondContact O-CB 3.07Å; E339-E343 PolarHBondContact O-N 3.36Å; E339-L463 HydrophobicContact CG-CD1 3.98Å; E339-L463 HydrophobicContact CG-CD2 4.25Å; E339-V466 WeakPolarHBondContact OE1-CG1 3.41Å; E339-H469 IonicContact OE1-CE1 3.05Å; E339-H469 PolarHBondContact OE1-CE1 2.8Å; E339-H469 IonicContact OE1-ND1 3.37Å; E339-H469 IonicContact OE2-CE1 3.71Å; E339-H469 PolarHBondContact OE2-CE1 3.05Å
340	E	96.3	Very high	95.8	Very high	52 Å²	52	49.4 Å²	49.4	24%	0.243	24%	0.243	C	C	.	.	H	α-helix	trans	-61.3	-39.3	176.3	-70.2	172.5	155.6	0	0	111.5	R268 M336 T337 H344	R268-E340 IonicContact CZ-OE1 3.32Å; R268-E340 IonicContact CZ-OE2 3.43Å; R268-E340 IonicContact NH1-OE1 3.05Å; R268-E340 PolarHBondContact NH1-OE1 3.09Å; R268-E340 IonicContact NH1-OE2 3.31Å; R268-E340 PolarHBondContact NH1-OE2 2.91Å; R268-E340 IonicContact NH2-OE1 2.68Å; R268-E340 PolarHBondContact NH2-OE1 2.73Å; R268-E340 IonicContact NH2-OE2 3.45Å; M336-E340 WeakPolarHBondContact CA-OE2 3.38Å; M336-E340 HydrophobicContact CB-CB 4.21Å; T337-E340 PolarHBondContact N-OE2 3.43Å; T337-E340 PolarHBondContact O-N 3.42Å; T337-E340 PolarHBondContact OG1-N 2.93Å; E340-H344 VanDerWaalsContact O-CB 3.29Å; E340-H344 WeakPolarHBondContact O-CB 3.5Å; E340-H344 VanDerWaalsContact O-CG 3.32Å; E340-H344 PolarHBondContact O-N 2.97Å
341	I	96.2	Very high	95.6	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-64.9	-42.3	176.3	-65.8	164.6	0	0	0	110.7	I269 C333 M336 T337 Y338 E339 Y345 F349	I269-I341 HydrophobicContact CD1-CD1 3.56Å; I269-I341 HydrophobicContact CG1-CD1 4.28Å; C333-I341 HydrophobicContact CB-CD1 3.89Å; C333-I341 HydrophobicContact CB-CG1 3.97Å; M336-I341 HydrophobicContact CB-CD1 4.22Å; M336-I341 HydrophobicContact CB-CG1 3.73Å; M336-I341 HydrophobicContact SD-CG1 4.11Å; T337-I341 WeakPolarHBondContact O-CD1 3.4Å; T337-I341 VanDerWaalsContact O-CG1 3.24Å; T337-I341 WeakPolarHBondContact O-CG1 3.39Å; T337-I341 PolarHBondContact O-N 3.03Å; T337-I341 VanDerWaalsContact O-N 3.08Å; Y338-I341 HydrophobicContact CD1-CD1 4.37Å; Y338-I341 PolarHBondContact O-N 3.43Å; E339-I341 VanDerWaalsContact C-N 3.31Å; E339-I341 PolarHBondContact O-N 2.94Å; I341-Y345 CarbonylContact O-C 3.25Å; I341-Y345 VanDerWaalsContact O-C 3.25Å; I341-Y345 WeakPolarHBondContact O-CA 3.24Å; I341-Y345 WeakPolarHBondContact O-CB 3.43Å; I341-Y345 PolarHBondContact O-N 2.78Å; I341-F349 HydrophobicContact CB-CD2 4.34Å; I341-F349 HydrophobicContact CG2-CB 4.44Å; I341-F349 HydrophobicContact CG2-CD2 3.97Å
342	Q	94.1	Very high	95.5	Very high	21 Å²	21	50.6 Å²	50.6	10%	0.098	24%	0.243	C	C	.	.	H	α-helix	trans	-67.6	-42.2	179.3	-174.4	-159.3	17.6	0	0	112	Y338 E339 P346 F349 P459 L463	Y338-Q342 WeakPolarHBondContact O-CB 3.4Å; Y338-Q342 PolarHBondContact O-N 3.43Å; E339-Q342 PolarHBondContact O-N 2.83Å; Q342-P346 VanDerWaalsContact O-CA 3.27Å; Q342-P346 WeakPolarHBondContact O-CA 3.34Å; Q342-P346 WeakPolarHBondContact O-CB 3.43Å; Q342-P346 VanDerWaalsContact O-CD 3.32Å; Q342-P346 WeakPolarHBondContact O-CD 3.44Å; Q342-F349 HydrophobicContact CB-CB 4.47Å; Q342-F349 HydrophobicContact CB-CD1 4.39Å; Q342-F349 HydrophobicContact CB-CD2 3.91Å; Q342-F349 HydrophobicContact CB-CE2 4.2Å; Q342-F349 HydrophobicContact CB-CG 4.02Å; Q342-F349 HydrophobicContact CG-CD1 4.21Å; Q342-F349 HydrophobicContact CG-CG 4.23Å; Q342-P459 VanDerWaalsContact NE2-C 3.3Å; Q342-P459 PolarHBondContact NE2-O 2.97Å; Q342-L463 HydrophobicContact CB-CD2 4.4Å
343	E	94.3	Very high	95.3	Very high	151 Å²	151	48.2 Å²	48.2	71%	0.706	23%	0.229	S	C	*	.	H	α-helix	trans	-64	-46.5	178.2	-173.9	-178.5	173.4	0	0	111.1	E339	E339-E343 WeakPolarHBondContact O-CB 3.07Å; E339-E343 PolarHBondContact O-N 3.36Å
344	H	95.7	Very high	95.1	Very high	106 Å²	106	51.6 Å²	51.6	49%	0.491	25%	0.245	S	C	.	.	H	α-helix	trans	-85.4	-28.7	-174.9	-64.1	174.8	0	0	0	113.7	E340	E340-H344 VanDerWaalsContact O-CB 3.29Å; E340-H344 WeakPolarHBondContact O-CB 3.5Å; E340-H344 VanDerWaalsContact O-CG 3.32Å; E340-H344 PolarHBondContact O-N 2.97Å
345	Y	95.1	Very high	94.9	Very high	84 Å²	84	50.7 Å²	50.7	33%	0.329	24%	0.242	S	C	.	.			trans	-138.5	59.6	-174.6	-51.4	-71.5	0	0	0	112.5	V332 M336 I341 E347 E348 F349	V332-Y345 HydrophobicContact CG2-CE2 4.44Å; M336-Y345 HydrophobicContact CE-CE2 4.06Å; M336-Y345 HydrophobicContact SD-CD2 4.49Å; M336-Y345 HydrophobicContact SD-CE2 4.01Å; I341-Y345 CarbonylContact O-C 3.25Å; I341-Y345 VanDerWaalsContact O-C 3.25Å; I341-Y345 WeakPolarHBondContact O-CA 3.24Å; I341-Y345 WeakPolarHBondContact O-CB 3.43Å; I341-Y345 PolarHBondContact O-N 2.78Å; Y345-E347 VanDerWaalsContact C-N 3.33Å; Y345-E347 PolarHBondContact O-N 3.07Å; Y345-E348 PolarHBondContact O-N 3.32Å; Y345-E348 VanDerWaalsContact O-N 3.08Å; Y345-F349 PolarHBondContact O-N 3.46Å
346	P	93.2	Very high	94.9	Very high	73 Å²	73	45.8 Å²	45.8	47%	0.474	22%	0.219	S	C	.	.	H	α-helix	trans	-59.5	-40.1	-173.9	21.9	-33.3	0	0	0	113.3	Q342 E348 F349 A350	Q342-P346 VanDerWaalsContact O-CA 3.27Å; Q342-P346 WeakPolarHBondContact O-CA 3.34Å; Q342-P346 WeakPolarHBondContact O-CB 3.43Å; Q342-P346 VanDerWaalsContact O-CD 3.32Å; Q342-P346 WeakPolarHBondContact O-CD 3.44Å; P346-E348 PolarHBondContact O-N 2.88Å; P346-F349 PolarHBondContact O-N 3.23Å; P346-A350 PolarHBondContact O-N 3.19Å
347	E	91.9	Very high	94.8	Very high	135 Å²	135	44.9 Å²	44.9	63%	0.631	21%	0.214	S	C	*	.	H	α-helix	trans	-63.1	-41.8	176.5	-65.6	-174.6	176.6	0	0	112.1	Y345 A350 L351 V455	Y345-E347 VanDerWaalsContact C-N 3.33Å; Y345-E347 PolarHBondContact O-N 3.07Å; E347-A350 PolarHBondContact O-N 3.29Å; E347-L351 WeakPolarHBondContact O-CB 3.45Å; E347-L351 WeakPolarHBondContact O-CG 3.43Å; E347-L351 PolarHBondContact O-N 2.91Å; E347-V455 HydrophobicContact CG-CG1 4.2Å
348	E	94.6	Very high	94.8	Very high	31 Å²	31	48.5 Å²	48.5	15%	0.145	23%	0.226	C	C	.	.	H	α-helix	trans	-68.2	-38.9	179.5	-67.3	-68.7	164.2	0	0	111.2	K15 Y345 P346 L351 R352 Y359 P362	K15-E348 WeakPolarHBondContact CE-OE1 3.18Å; K15-E348 WeakPolarHBondContact CE-OE2 3.48Å; K15-E348 IonicContact NZ-OE1 3.38Å; K15-E348 PolarHBondContact NZ-OE1 3Å; K15-E348 IonicContact NZ-OE2 3.49Å; K15-E348 PolarHBondContact NZ-OE2 3.23Å; Y345-E348 PolarHBondContact O-N 3.32Å; Y345-E348 VanDerWaalsContact O-N 3.08Å; P346-E348 PolarHBondContact O-N 2.88Å; E348-L351 PolarHBondContact O-N 3.3Å; E348-R352 WeakPolarHBondContact O-CB 3.25Å; E348-R352 PolarHBondContact O-N 2.69Å; E348-Y359 WeakPolarHBondContact CB-OH 3.2Å; E348-Y359 WeakPolarHBondContact O-CE2 3.45Å; E348-Y359 WeakPolarHBondContact OE2-CE2 3.15Å; E348-Y359 VanDerWaalsContact OE2-CZ 3.31Å; E348-Y359 PolarHBondContact OE2-OH 3.01Å; E348-P362 HydrophobicContact CG-CG 4.32Å
349	F	94.6	Very high	94.9	Very high	11 Å²	11	47.4 Å²	47.4	5%	0.048	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-46.6	175	-168.8	-87.1	0	0	0	111.5	Y338 I341 Q342 Y345 P346 R352 D353 A462 L463 V466	Y338-F349 HydrophobicContact CD1-CE2 4.03Å; Y338-F349 HydrophobicContact CG-CE2 4.46Å; Y338-F349 WeakPolarHBondContact O-CE2 3.37Å; I341-F349 HydrophobicContact CB-CD2 4.34Å; I341-F349 HydrophobicContact CG2-CB 4.44Å; I341-F349 HydrophobicContact CG2-CD2 3.97Å; Q342-F349 HydrophobicContact CB-CB 4.47Å; Q342-F349 HydrophobicContact CB-CD1 4.39Å; Q342-F349 HydrophobicContact CB-CD2 3.91Å; Q342-F349 HydrophobicContact CB-CE2 4.2Å; Q342-F349 HydrophobicContact CB-CG 4.02Å; Q342-F349 HydrophobicContact CG-CD1 4.21Å; Q342-F349 HydrophobicContact CG-CG 4.23Å; Y345-F349 PolarHBondContact O-N 3.46Å; P346-F349 PolarHBondContact O-N 3.23Å; F349-R352 PolarHBondContact O-N 2.57Å; F349-D353 PolarHBondContact O-N 2.73Å; F349-A462 HydrophobicContact CD1-CB 4.33Å; F349-A462 HydrophobicContact CE1-CB 3.94Å; F349-A462 WeakPolarHBondContact CE1-O 2.98Å; F349-L463 HydrophobicContact CZ-CD2 4.1Å; F349-V466 HydrophobicContact CZ-CG2 4.46Å
350	A	92.6	Very high	95.1	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.025	22%	0.219	C	C	.	.	H	α-helix	trans	-65.8	-46.7	176.5	0	0	0	0	0	112.7	P346 E347 R352 D353 Q354 V455	P346-A350 PolarHBondContact O-N 3.19Å; E347-A350 PolarHBondContact O-N 3.29Å; A350-R352 PolarHBondContact O-N 2.8Å; A350-D353 PolarHBondContact O-N 3.3Å; A350-Q354 WeakPolarHBondContact O-CG 3.28Å; A350-Q354 PolarHBondContact O-N 3.25Å; A350-V455 HydrophobicContact CB-CB 4.19Å; A350-V455 HydrophobicContact CB-CG1 4.3Å; A350-V455 HydrophobicContact CB-CG2 3.99Å
351	L	93.8	Very high	95.1	Very high	26 Å²	26	45.2 Å²	45.2	14%	0.136	21%	0.209	C	C	.	.	H	α-helix	trans	-56.9	-37.6	176.8	-75.4	169.5	0	0	0	112.1	P12 L13 E347 E348 D353 Q354 D355 Y359	P12-L351 HydrophobicContact CB-CD1 3.83Å; P12-L351 HydrophobicContact CB-CD2 4.26Å; L13-L351 WeakPolarHBondContact CD1-O 3.49Å; E347-L351 WeakPolarHBondContact O-CB 3.45Å; E347-L351 WeakPolarHBondContact O-CG 3.43Å; E347-L351 PolarHBondContact O-N 2.91Å; E348-L351 PolarHBondContact O-N 3.3Å; L351-D353 VanDerWaalsContact C-N 3.34Å; L351-Q354 PolarHBondContact O-N 3.31Å; L351-D355 PolarHBondContact O-N 2.75Å; L351-Y359 HydrophobicContact CB-CD2 3.93Å; L351-Y359 HydrophobicContact CB-CE2 4.01Å
352	R	96.3	Very high	95.2	Very high	19 Å²	19	45.7 Å²	45.7	7%	0.072	21%	0.212	C	C	.	.	H	α-helix	trans	-66.8	-34.9	176	-174.2	172	-178.4	-89.1	13.6	112.8	E348 F349 A350 D355 K356 Y359 Y361	E348-R352 WeakPolarHBondContact O-CB 3.25Å; E348-R352 PolarHBondContact O-N 2.69Å; F349-R352 PolarHBondContact O-N 2.57Å; A350-R352 PolarHBondContact O-N 2.8Å; R352-D355 CarbonylContact O-C 3.57Å; R352-K356 HydrophobicContact CG-CG 4.34Å; R352-K356 WeakPolarHBondContact O-CA 3.24Å; R352-K356 VanDerWaalsContact O-CB 3.22Å; R352-K356 WeakPolarHBondContact O-CB 3.41Å; R352-K356 PolarHBondContact O-N 3.34Å; R352-Y359 VanDerWaalsContact CA-CG 3.48Å; R352-Y359 HydrophobicContact CB-CD1 3.61Å; R352-Y359 HydrophobicContact CB-CD2 3.82Å; R352-Y359 HydrophobicContact CB-CE1 3.81Å; R352-Y359 HydrophobicContact CB-CE2 4.01Å; R352-Y359 HydrophobicContact CB-CG 3.62Å; R352-Y359 HydrophobicContact CG-CD1 3.48Å; R352-Y359 VanDerWaalsContact CG-CD1 3.48Å; R352-Y359 HydrophobicContact CG-CE1 3.91Å; R352-Y359 HydrophobicContact CG-CG 3.84Å; R352-Y361 WeakPolarHBondContact CD-OH 3.43Å; R352-Y361 VanDerWaalsContact CZ-OH 3.29Å; R352-Y361 PolarHBondContact NE-OH 3.18Å; R352-Y361 PolarHBondContact NH2-OH 3.27Å
353	D	94.2	Very high	95.3	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.011	25%	0.247	C	C	.	.	H	α-helix	trans	-74.4	-32.3	177.6	-78.3	-17.2	0	0	0	112.8	F349 A350 L351 R447 P450 V453 R457	F349-D353 PolarHBondContact O-N 2.73Å; A350-D353 PolarHBondContact O-N 3.3Å; L351-D353 VanDerWaalsContact C-N 3.34Å; D353-R447 IonicContact OD1-CZ 3.6Å; D353-R447 IonicContact OD1-NH1 3.69Å; D353-R447 PolarHBondContact OD1-NH1 2.75Å; D353-R447 IonicContact OD1-NH2 3.99Å; D353-R447 IonicContact OD2-CZ 2.75Å; D353-R447 IonicContact OD2-NH1 2.69Å; D353-R447 PolarHBondContact OD2-NH1 3.41Å; D353-R447 IonicContact OD2-NH2 3.37Å; D353-R447 PolarHBondContact OD2-NH2 3.05Å; D353-P450 HydrophobicContact CB-CG 3.82Å; D353-P450 WeakPolarHBondContact OD2-CG 3.26Å; D353-V453 HydrophobicContact CB-CB 4.26Å; D353-V453 HydrophobicContact CB-CG1 3.98Å; D353-R457 IonicContact OD2-CZ 2.7Å; D353-R457 IonicContact OD2-NH1 3.42Å; D353-R457 PolarHBondContact OD2-NH1 3.39Å; D353-R457 IonicContact OD2-NH2 3.53Å; D353-R457 PolarHBondContact OD2-NH2 3.37Å
354	Q	92.6	Very high	95.4	Very high	71 Å²	71	47.1 Å²	47.1	33%	0.332	22%	0.22	S	C	.	.	H	α-helix	trans	-63.6	-48.6	177.1	-69.5	170.2	15	0	0	112.8	A350 L351 V453 V455	A350-Q354 WeakPolarHBondContact O-CG 3.28Å; A350-Q354 PolarHBondContact O-N 3.25Å; L351-Q354 PolarHBondContact O-N 3.31Å; Q354-V453 HydrophobicContact CB-CG2 4.46Å; Q354-V453 HydrophobicContact CG-CB 3.81Å; Q354-V453 HydrophobicContact CG-CG2 3.76Å; Q354-V453 WeakPolarHBondContact CG-O 3.43Å; Q354-V453 PolarHBondContact NE2-O 3Å; Q354-V455 VanDerWaalsContact NE2-CG2 3.33Å
355	D	94.3	Very high	95.6	Very high	38 Å²	38	43.8 Å²	43.8	20%	0.203	21%	0.205	C	C	.	.			trans	-142.2	79.3	175	-173.1	-14.3	0	0	0	110.6	L13 L351 R352 Y357 R358 Y359	L13-D355 HydrophobicContact CD1-CB 4.02Å; L13-D355 HydrophobicContact CD2-CB 3.88Å; L351-D355 PolarHBondContact O-N 2.75Å; R352-D355 CarbonylContact O-C 3.57Å; D355-Y357 PolarHBondContact O-N 2.87Å; D355-Y357 VanDerWaalsContact O-N 3.12Å; D355-Y357 PolarHBondContact OD1-N 2.84Å; D355-R358 PolarHBondContact O-N 3.43Å; D355-R358 PolarHBondContact OD1-N 2.8Å; D355-R358 IonicContact OD1-NH1 3.55Å; D355-R358 WeakPolarHBondContact OD2-CD 3.46Å; D355-R358 WeakPolarHBondContact OD2-CG 3.4Å; D355-R358 IonicContact OD2-CZ 2.85Å; D355-R358 IonicContact OD2-NH1 3.08Å; D355-R358 PolarHBondContact OD2-NH1 3.07Å; D355-Y359 WeakPolarHBondContact O-CB 3.15Å; D355-Y359 PolarHBondContact O-N 2.78Å
356	K	97.4	Very high	95.7	Very high	7 Å²	7	39.9 Å²	39.9	3%	0.03	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.4	-179.1	-162.8	173	178.8	175.2	0	114.1	R352 Y367 P412 Y413	R352-K356 HydrophobicContact CG-CG 4.34Å; R352-K356 WeakPolarHBondContact O-CA 3.24Å; R352-K356 VanDerWaalsContact O-CB 3.22Å; R352-K356 WeakPolarHBondContact O-CB 3.41Å; R352-K356 PolarHBondContact O-N 3.34Å; K356-Y367 HydrophobicContact CG-CE2 4.43Å; K356-Y367 WeakPolarHBondContact O-CD2 3.48Å; K356-P412 HydrophobicContact CB-CB 4.05Å; K356-P412 HydrophobicContact CB-CG 4.35Å; K356-P412 HydrophobicContact CD-CB 3.79Å; K356-P412 HydrophobicContact CG-CB 3.77Å; K356-P412 HydrophobicContact CG-CG 4.49Å; K356-Y413 HydrophobicContact CB-CE2 4.28Å; K356-Y413 WeakPolarHBondContact CB-OH 3.08Å; K356-Y413 HydrophobicContact CD-CD1 4.3Å; K356-Y413 HydrophobicContact CD-CE1 3.52Å; K356-Y413 HydrophobicContact CD-CE2 4.15Å; K356-Y413 VanDerWaalsContact CD-CZ 3.44Å; K356-Y413 WeakPolarHBondContact CD-OH 3.09Å
357	Y	97.3	Very high	96	Very high	14 Å²	14	36.7 Å²	36.7	6%	0.055	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-48.5	179.3	178.7	-101.1	0	0	0	111.3	D355 Y367 E368 V371 A408 L411 P412	D355-Y357 PolarHBondContact O-N 2.87Å; D355-Y357 VanDerWaalsContact O-N 3.12Å; D355-Y357 PolarHBondContact OD1-N 2.84Å; Y357-Y367 PolarHBondContact O-N 3.03Å; Y357-E368 HydrophobicContact CD1-CB 4.39Å; Y357-E368 HydrophobicContact CE1-CB 3.78Å; Y357-E368 HydrophobicContact CE1-CG 4.02Å; Y357-E368 PolarHBondContact O-N 2.86Å; Y357-V371 HydrophobicContact CE2-CG2 4.3Å; Y357-A408 WeakPolarHBondContact CB-O 3.29Å; Y357-A408 HydrophobicContact CD1-CB 3.76Å; Y357-A408 HydrophobicContact CD2-CB 4.02Å; Y357-A408 WeakPolarHBondContact CD2-O 3.49Å; Y357-A408 HydrophobicContact CE1-CB 3.77Å; Y357-A408 HydrophobicContact CE2-CB 4.03Å; Y357-A408 HydrophobicContact CG-CB 3.89Å; Y357-L411 HydrophobicContact CD2-CD2 4.48Å; Y357-L411 HydrophobicContact CE2-CD1 4.13Å; Y357-P412 HydrophobicContact CD2-CG 4.31Å
358	R	96.1	Very high	96.2	Very high	89 Å²	89	30.7 Å²	30.7	34%	0.336	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-21.4	-176.4	-62	-171.4	-179.6	83	3.3	114.1	L13 D355 R360	L13-R358 HydrophobicContact CD2-CB 3.88Å; L13-R358 HydrophobicContact CG-CB 4.42Å; D355-R358 PolarHBondContact O-N 3.43Å; D355-R358 PolarHBondContact OD1-N 2.8Å; D355-R358 IonicContact OD1-NH1 3.55Å; D355-R358 WeakPolarHBondContact OD2-CD 3.46Å; D355-R358 WeakPolarHBondContact OD2-CG 3.4Å; D355-R358 IonicContact OD2-CZ 2.85Å; D355-R358 IonicContact OD2-NH1 3.08Å; D355-R358 PolarHBondContact OD2-NH1 3.07Å; R358-R360 PolarHBondContact O-N 3.2Å; R358-R360 VanDerWaalsContact O-N 3.16Å
359	Y	97.3	Very high	96.4	Very high	4 Å²	4	31 Å²	31	2%	0.016	14%	0.142	C	C	.	.			trans	-54.2	122.6	176.6	173	-90.6	0	0	0	110.5	L13 E348 L351 R352 D355 Y361 S366	L13-Y359 HydrophobicContact CD1-CD2 4.34Å; E348-Y359 WeakPolarHBondContact CB-OH 3.2Å; E348-Y359 WeakPolarHBondContact O-CE2 3.45Å; E348-Y359 WeakPolarHBondContact OE2-CE2 3.15Å; E348-Y359 VanDerWaalsContact OE2-CZ 3.31Å; E348-Y359 PolarHBondContact OE2-OH 3.01Å; L351-Y359 HydrophobicContact CB-CD2 3.93Å; L351-Y359 HydrophobicContact CB-CE2 4.01Å; R352-Y359 VanDerWaalsContact CA-CG 3.48Å; R352-Y359 HydrophobicContact CB-CD1 3.61Å; R352-Y359 HydrophobicContact CB-CD2 3.82Å; R352-Y359 HydrophobicContact CB-CE1 3.81Å; R352-Y359 HydrophobicContact CB-CE2 4.01Å; R352-Y359 HydrophobicContact CB-CG 3.62Å; R352-Y359 HydrophobicContact CG-CD1 3.48Å; R352-Y359 VanDerWaalsContact CG-CD1 3.48Å; R352-Y359 HydrophobicContact CG-CE1 3.91Å; R352-Y359 HydrophobicContact CG-CG 3.84Å; D355-Y359 WeakPolarHBondContact O-CB 3.15Å; D355-Y359 PolarHBondContact O-N 2.78Å; Y359-Y361 AromaticContact CE1-CD1 3.8Å; Y359-Y361 HydrophobicContact CE1-CD1 3.8Å; Y359-Y361 HydrophobicContact CE1-CD2 4.04Å; Y359-Y361 HydrophobicContact CE1-CE1 4.07Å; Y359-Y361 HydrophobicContact CE1-CE2 4.29Å; Y359-Y361 AromaticContact CE1-CG 3.8Å; Y359-Y361 HydrophobicContact CE1-CG 3.8Å; Y359-S366 VanDerWaalsContact O-CA 3.23Å; Y359-S366 WeakPolarHBondContact O-CA 3.22Å; Y359-S366 WeakPolarHBondContact O-CB 3.34Å
360	R	98.3	Very high	96.5	Very high	54 Å²	54	30.4 Å²	30.4	20%	0.204	14%	0.14	C	C	.	.			trans	-104.2	126	173.1	-174.6	179.4	-71.7	143	-7.1	109.4	L13 E14 K15 R358 G364 D369	L13-R360 PolarHBondContact O-N 2.88Å; E14-R360 PolarHBondContact O-NH1 3.33Å; K15-R360 HydrophobicContact CB-CB 4.48Å; K15-R360 HydrophobicContact CG-CB 4.15Å; K15-R360 VanDerWaalsContact CG-O 3.28Å; K15-R360 WeakPolarHBondContact CG-O 3.24Å; K15-R360 PolarHBondContact NZ-O 3.23Å; R358-R360 PolarHBondContact O-N 3.2Å; R358-R360 VanDerWaalsContact O-N 3.16Å; R360-G364 WeakPolarHBondContact CG-O 3.45Å; R360-D369 IonicContact CZ-OD1 3.51Å; R360-D369 IonicContact CZ-OD2 3.43Å; R360-D369 IonicContact NE-OD1 2.75Å; R360-D369 IonicContact NE-OD2 3.23Å; R360-D369 PolarHBondContact NE-OD2 2.83Å; R360-D369 IonicContact NH2-OD1 3.61Å; R360-D369 PolarHBondContact NH2-OD1 2.91Å; R360-D369 IonicContact NH2-OD2 2.74Å; R360-D369 PolarHBondContact NH2-OD2 3.07Å
361	Y	98.1	Very high	96.8	Very high	6 Å²	6	30.3 Å²	30.3	2%	0.024	14%	0.139	C	C	.	.			trans	-58.6	142.1	170.9	-80.8	-79.7	0	0	0	110.7	A330 C333 R352 Y359 K363 G364 E365	A330-Y361 HydrophobicContact CB-CD1 4.34Å; A330-Y361 HydrophobicContact CB-CD2 4.33Å; A330-Y361 HydrophobicContact CB-CE1 4.32Å; A330-Y361 HydrophobicContact CB-CE2 4.31Å; A330-Y361 HydrophobicContact CB-CG 4.33Å; A330-Y361 WeakPolarHBondContact O-CB 3.48Å; A330-Y361 WeakPolarHBondContact O-CD1 3.21Å; C333-Y361 HydrophobicContact CB-CD1 3.9Å; C333-Y361 HydrophobicContact CB-CE1 3.82Å; R352-Y361 WeakPolarHBondContact CD-OH 3.43Å; R352-Y361 VanDerWaalsContact CZ-OH 3.29Å; R352-Y361 PolarHBondContact NE-OH 3.18Å; R352-Y361 PolarHBondContact NH2-OH 3.27Å; Y359-Y361 AromaticContact CE1-CD1 3.8Å; Y359-Y361 HydrophobicContact CE1-CD1 3.8Å; Y359-Y361 HydrophobicContact CE1-CD2 4.04Å; Y359-Y361 HydrophobicContact CE1-CE1 4.07Å; Y359-Y361 HydrophobicContact CE1-CE2 4.29Å; Y359-Y361 AromaticContact CE1-CG 3.8Å; Y359-Y361 HydrophobicContact CE1-CG 3.8Å; Y361-K363 PolarHBondContact O-N 3.02Å; Y361-K363 VanDerWaalsContact O-N 3.11Å; Y361-G364 PolarHBondContact O-N 3.09Å; Y361-E365 PolarHBondContact N-O 2.77Å
362	P	96.9	Very high	96.8	Very high	15 Å²	15	31.7 Å²	31.7	10%	0.097	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	120.9	174.7	-19.8	29.4	0	0	0	110.8	G331 V332 E348 G364	G331-P362 WeakPolarHBondContact CA-O 3.5Å; V332-P362 HydrophobicContact CG1-CB 4.42Å; V332-P362 HydrophobicContact CG2-CB 3.8Å; V332-P362 HydrophobicContact CG2-CG 3.97Å; V332-P362 PolarHBondContact N-O 3.12Å; V332-P362 VanDerWaalsContact N-O 3.08Å; E348-P362 HydrophobicContact CG-CG 4.32Å; P362-G364 PolarHBondContact O-N 3.39Å
363	K	96.1	Very high	96.9	Very high	188 Å²	188	33.4 Å²	33.4	82%	0.817	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	19.2	-173.4	-52.5	-179.8	178.9	176.4	0	114.5	V332 Y361	V332-K363 HydrophobicContact CG1-CD 4.2Å; V332-K363 HydrophobicContact CG1-CG 4.48Å; Y361-K363 PolarHBondContact O-N 3.02Å; Y361-K363 VanDerWaalsContact O-N 3.11Å
364	G	97.7	Very high	97.1	Very high	14 Å²	14	33.3 Å²	33.3	14%	0.144	15%	0.151	C	C	.	.	S	Bend	trans	-126	-150.5	175.7	0	0	0	0	0	111.8	D329 R360 Y361 P362	D329-G364 CarbonylContact O-C 3.59Å; D329-G364 VanDerWaalsContact O-CA 3.32Å; D329-G364 WeakPolarHBondContact O-CA 3.47Å; R360-G364 WeakPolarHBondContact CG-O 3.45Å; Y361-G364 PolarHBondContact O-N 3.09Å; P362-G364 PolarHBondContact O-N 3.39Å
365	E	98.4	Very high	97.3	Very high	36 Å²	36	31.2 Å²	31.2	17%	0.168	14%	0.141	C	C	.	.			trans	-115.1	160.9	-173.7	-72.1	177.9	132.5	0	0	112.6	I328 D329 Y361 D369 R373	I328-E365 HydrophobicContact CG1-CB 3.82Å; D329-E365 HydrophobicContact CB-CB 4.35Å; D329-E365 HydrophobicContact CB-CG 3.96Å; D329-E365 PolarHBondContact N-OE2 3.17Å; D329-E365 PolarHBondContact O-N 3.35Å; Y361-E365 PolarHBondContact N-O 2.77Å; E365-D369 HydrophobicContact CB-CB 4.11Å; E365-D369 HydrophobicContact CG-CB 4.23Å; E365-R373 IonicContact OE1-CZ 3.75Å; E365-R373 IonicContact OE1-NE 2.79Å; E365-R373 PolarHBondContact OE1-NE 3.18Å; E365-R373 IonicContact OE1-NH2 3.02Å; E365-R373 PolarHBondContact OE1-NH2 3.49Å; E365-R373 IonicContact OE2-CZ 3.49Å; E365-R373 IonicContact OE2-NE 3.09Å; E365-R373 IonicContact OE2-NH2 3.38Å; E365-R373 PolarHBondContact OE2-NH2 3.25Å
366	S	98.5	Very high	97.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.014	15%	0.154	C	C	.	.			trans	-103	172.6	160.5	69.9	0	0	0	0	111.2	Y359 E368 D369 L370	Y359-S366 VanDerWaalsContact O-CA 3.23Å; Y359-S366 WeakPolarHBondContact O-CA 3.22Å; Y359-S366 WeakPolarHBondContact O-CB 3.34Å; S366-E368 PolarHBondContact O-N 3.45Å; S366-E368 WeakPolarHBondContact OG-CB 3.34Å; S366-E368 PolarHBondContact OG-N 2.85Å; S366-D369 PolarHBondContact N-OD2 2.92Å; S366-D369 PolarHBondContact O-N 2.94Å; S366-D369 PolarHBondContact OG-N 3.29Å; S366-D369 PolarHBondContact OG-OD2 2.91Å; S366-L370 PolarHBondContact O-N 3.3Å
367	Y	98.6	Very high	97.5	Very high	6 Å²	6	32.5 Å²	32.5	2%	0.024	15%	0.152	C	C	.	.	H	α-helix	trans	-65.6	-30.3	168	-84	-90.1	0	0	0	111.7	I328 K356 Y357 L370 V371 A394 R397 L411 P412	I328-Y367 HydrophobicContact CD1-CD2 4.23Å; I328-Y367 HydrophobicContact CD1-CE2 4.43Å; K356-Y367 HydrophobicContact CG-CE2 4.43Å; K356-Y367 WeakPolarHBondContact O-CD2 3.48Å; Y357-Y367 PolarHBondContact O-N 3.03Å; Y367-L370 HydrophobicContact CD1-CD2 4.42Å; Y367-L370 WeakPolarHBondContact O-CB 3.21Å; Y367-L370 PolarHBondContact O-N 3.29Å; Y367-V371 WeakPolarHBondContact O-CG2 3.34Å; Y367-V371 PolarHBondContact O-N 3.46Å; Y367-A394 HydrophobicContact CD1-CB 4.45Å; Y367-A394 HydrophobicContact CE1-CB 3.58Å; Y367-A394 WeakPolarHBondContact OH-CB 3.49Å; Y367-R397 HydrophobicContact CE1-CB 4.3Å; Y367-R397 PolarHBondContact OH-NH1 3.24Å; Y367-L411 HydrophobicContact CD1-CD2 3.29Å; Y367-L411 HydrophobicContact CE1-CD2 3.83Å; Y367-L411 HydrophobicContact CG-CD2 4.02Å; Y367-P412 HydrophobicContact CD2-CB 3.98Å; Y367-P412 HydrophobicContact CD2-CG 4.07Å; Y367-P412 HydrophobicContact CE1-CB 4.45Å; Y367-P412 HydrophobicContact CE2-CB 3.79Å; Y367-P412 HydrophobicContact CE2-CG 4.38Å; Y367-P412 HydrophobicContact CG-CB 4.41Å; Y367-P412 HydrophobicContact CG-CG 4.17Å
368	E	96.4	Very high	97.5	Very high	9 Å²	9	31.9 Å²	31.9	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-62.9	-41.7	173.2	-170.7	170.1	-118.4	0	0	111.6	S32 Y357 S366 L370 V371 Q372	S32-E368 PolarHBondContact OG-OE2 3.2Å; Y357-E368 HydrophobicContact CD1-CB 4.39Å; Y357-E368 HydrophobicContact CE1-CB 3.78Å; Y357-E368 HydrophobicContact CE1-CG 4.02Å; Y357-E368 PolarHBondContact O-N 2.86Å; S366-E368 PolarHBondContact O-N 3.45Å; S366-E368 WeakPolarHBondContact OG-CB 3.34Å; S366-E368 PolarHBondContact OG-N 2.85Å; E368-L370 VanDerWaalsContact C-N 3.34Å; E368-V371 PolarHBondContact O-N 3.18Å; E368-Q372 PolarHBondContact O-N 3.38Å
369	D	97.9	Very high	97.6	Very high	36 Å²	36	27.8 Å²	27.8	19%	0.193	14%	0.135	C	C	.	.	H	α-helix	trans	-63.2	-42.9	173.1	-63.5	-39.1	0	0	0	111.3	R360 E365 S366 V371 Q372 R373	R360-D369 IonicContact CZ-OD1 3.51Å; R360-D369 IonicContact CZ-OD2 3.43Å; R360-D369 IonicContact NE-OD1 2.75Å; R360-D369 IonicContact NE-OD2 3.23Å; R360-D369 PolarHBondContact NE-OD2 2.83Å; R360-D369 IonicContact NH2-OD1 3.61Å; R360-D369 PolarHBondContact NH2-OD1 2.91Å; R360-D369 IonicContact NH2-OD2 2.74Å; R360-D369 PolarHBondContact NH2-OD2 3.07Å; E365-D369 HydrophobicContact CB-CB 4.11Å; E365-D369 HydrophobicContact CG-CB 4.23Å; S366-D369 PolarHBondContact N-OD2 2.92Å; S366-D369 PolarHBondContact O-N 2.94Å; S366-D369 PolarHBondContact OG-N 3.29Å; S366-D369 PolarHBondContact OG-OD2 2.91Å; D369-V371 VanDerWaalsContact C-N 3.33Å; D369-V371 PolarHBondContact O-N 3.43Å; D369-Q372 PolarHBondContact O-N 2.87Å; D369-R373 WeakPolarHBondContact O-CB 3.47Å; D369-R373 PolarHBondContact O-N 3.11Å
370	L	98.2	Very high	97.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.6	-39.1	179.9	-176.9	57.7	0	0	0	112.3	I328 S366 Y367 E368 R373 L374 A394 V395 C398	I328-L370 HydrophobicContact CB-CD2 4.27Å; S366-L370 PolarHBondContact O-N 3.3Å; Y367-L370 HydrophobicContact CD1-CD2 4.42Å; Y367-L370 WeakPolarHBondContact O-CB 3.21Å; Y367-L370 PolarHBondContact O-N 3.29Å; E368-L370 VanDerWaalsContact C-N 3.34Å; L370-R373 VanDerWaalsContact CD1-NH2 3.27Å; L370-R373 PolarHBondContact O-N 2.9Å; L370-L374 HydrophobicContact CD1-CD1 3.86Å; L370-L374 HydrophobicContact CD1-CG 4.03Å; L370-L374 HydrophobicContact CG-CD1 3.79Å; L370-L374 HydrophobicContact CG-CG 4.37Å; L370-L374 VanDerWaalsContact O-CB 3.31Å; L370-L374 WeakPolarHBondContact O-CB 3.36Å; L370-L374 VanDerWaalsContact O-CG 3.24Å; L370-L374 WeakPolarHBondContact O-CG 3.5Å; L370-L374 PolarHBondContact O-N 2.99Å; L370-A394 HydrophobicContact CD2-CB 3.79Å; L370-V395 HydrophobicContact CD1-CG2 4.13Å; L370-V395 HydrophobicContact CD2-CG2 4.37Å; L370-C398 VanDerWaalsContact CD2-SG 3.58Å
371	V	97.7	Very high	97.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.8	-48.2	173.1	160.1	0	0	0	0	111	W66 Y357 Y367 E368 D369 R373 L374 E375 L411	W66-V371 HydrophobicContact CD2-CG1 4.11Å; W66-V371 HydrophobicContact CE3-CG1 4.09Å; W66-V371 HydrophobicContact CH2-CG1 4.11Å; W66-V371 WeakPolarHBondContact CH2-O 3.41Å; W66-V371 HydrophobicContact CZ2-CB 4.34Å; W66-V371 HydrophobicContact CZ2-CG1 4.16Å; W66-V371 HydrophobicContact CZ2-CG2 4.14Å; W66-V371 HydrophobicContact CZ3-CG1 4.07Å; W66-V371 WeakPolarHBondContact O-CG1 3.41Å; Y357-V371 HydrophobicContact CE2-CG2 4.3Å; Y367-V371 WeakPolarHBondContact O-CG2 3.34Å; Y367-V371 PolarHBondContact O-N 3.46Å; E368-V371 PolarHBondContact O-N 3.18Å; D369-V371 VanDerWaalsContact C-N 3.33Å; D369-V371 PolarHBondContact O-N 3.43Å; V371-R373 VanDerWaalsContact C-N 3.33Å; V371-R373 PolarHBondContact O-N 3.34Å; V371-L374 PolarHBondContact O-N 2.98Å; V371-E375 PolarHBondContact O-N 2.72Å; V371-E375 VanDerWaalsContact O-N 3.16Å; V371-L411 HydrophobicContact CG2-CD1 4.09Å
372	Q	94.8	Very high	97.3	Very high	56 Å²	56	26.6 Å²	26.6	26%	0.262	13%	0.132	S	C	.	.	H	α-helix	trans	-62.9	-41.3	177.8	-60.7	-61.8	-36.8	0	0	111.2	I67 E368 D369 L374 E375	I67-Q372 PolarHBondContact O-NE2 3.23Å; I67-Q372 VanDerWaalsContact O-NE2 3.09Å; E368-Q372 PolarHBondContact O-N 3.38Å; D369-Q372 PolarHBondContact O-N 2.87Å; Q372-L374 VanDerWaalsContact C-N 3.3Å; Q372-L374 PolarHBondContact O-N 2.79Å; Q372-E375 PolarHBondContact O-N 2.8Å
373	R	98	Very high	97.1	Very high	54 Å²	54	31.9 Å²	31.9	20%	0.204	15%	0.15	C	C	.	.	H	α-helix	trans	-63.3	-33.7	176.3	176.3	161.7	60.4	92.8	-25.1	113	A324 N326 E327 E365 D369 L370 V371 P376	A324-R373 HydrophobicContact CB-CG 4.2Å; A324-R373 PolarHBondContact O-NH1 2.85Å; N326-R373 PolarHBondContact O-NH1 3.4Å; N326-R373 PolarHBondContact O-NH2 3.29Å; N326-R373 VanDerWaalsContact O-NH2 3.08Å; E327-R373 PolarHBondContact O-NH2 3.22Å; E327-R373 VanDerWaalsContact O-NH2 3.09Å; E365-R373 IonicContact OE1-CZ 3.75Å; E365-R373 IonicContact OE1-NE 2.79Å; E365-R373 PolarHBondContact OE1-NE 3.18Å; E365-R373 IonicContact OE1-NH2 3.02Å; E365-R373 PolarHBondContact OE1-NH2 3.49Å; E365-R373 IonicContact OE2-CZ 3.49Å; E365-R373 IonicContact OE2-NE 3.09Å; E365-R373 IonicContact OE2-NH2 3.38Å; E365-R373 PolarHBondContact OE2-NH2 3.25Å; D369-R373 WeakPolarHBondContact O-CB 3.47Å; D369-R373 PolarHBondContact O-N 3.11Å; L370-R373 VanDerWaalsContact CD1-NH2 3.27Å; L370-R373 PolarHBondContact O-N 2.9Å; V371-R373 VanDerWaalsContact C-N 3.33Å; V371-R373 PolarHBondContact O-N 3.34Å; R373-P376 WeakPolarHBondContact O-CD 3.39Å
374	L	98.6	Very high	97	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-87.2	-6.4	-178.4	-71.9	172.2	0	0	0	114	W66 A324 L325 L370 V371 Q372 V377 I378 V395 C398 L399	W66-L374 HydrophobicContact CH2-CB 3.84Å; W66-L374 HydrophobicContact CZ2-CB 4.23Å; A324-L374 WeakPolarHBondContact O-CD2 3.49Å; L325-L374 HydrophobicContact CD2-CD2 3.96Å; L370-L374 HydrophobicContact CD1-CD1 3.86Å; L370-L374 HydrophobicContact CD1-CG 4.03Å; L370-L374 HydrophobicContact CG-CD1 3.79Å; L370-L374 HydrophobicContact CG-CG 4.37Å; L370-L374 VanDerWaalsContact O-CB 3.31Å; L370-L374 WeakPolarHBondContact O-CB 3.36Å; L370-L374 VanDerWaalsContact O-CG 3.24Å; L370-L374 WeakPolarHBondContact O-CG 3.5Å; L370-L374 PolarHBondContact O-N 2.99Å; V371-L374 PolarHBondContact O-N 2.98Å; Q372-L374 VanDerWaalsContact C-N 3.3Å; Q372-L374 PolarHBondContact O-N 2.79Å; L374-V377 HydrophobicContact CD2-CB 4.33Å; L374-V377 HydrophobicContact CD2-CG2 4.05Å; L374-V377 WeakPolarHBondContact O-CA 3.38Å; L374-V377 WeakPolarHBondContact O-CB 3.41Å; L374-V377 PolarHBondContact O-N 3.1Å; L374-I378 PolarHBondContact O-N 3.19Å; L374-V395 HydrophobicContact CD1-CG1 4.09Å; L374-V395 HydrophobicContact CD2-CG1 3.97Å; L374-C398 HydrophobicContact CD1-CB 3.45Å; L374-C398 VanDerWaalsContact CD1-CB 3.45Å; L374-L399 HydrophobicContact CD1-CD2 4.39Å; L374-L399 HydrophobicContact CD2-CD2 4.44Å
375	E	96.8	Very high	96.8	Very high	28 Å²	28	27.9 Å²	27.9	13%	0.131	13%	0.13	C	C	.	.	H	α-helix	trans	-52.2	-47.8	178.4	-179	176.1	-173.8	0	0	112.6	Y63 W66 I67 R238 V371 Q372 V377 I378 M379	Y63-E375 HydrophobicContact CE2-CG 4.33Å; Y63-E375 PolarHBondContact OH-OE1 2.94Å; W66-E375 HydrophobicContact CZ3-CB 4.27Å; I67-E375 HydrophobicContact CG2-CG 4.29Å; R238-E375 IonicContact CZ-OE1 3.38Å; R238-E375 IonicContact CZ-OE2 2.88Å; R238-E375 IonicContact NE-OE1 3.48Å; R238-E375 PolarHBondContact NE-OE1 2.7Å; R238-E375 IonicContact NH1-OE1 3.5Å; R238-E375 PolarHBondContact NH1-OE1 3.13Å; R238-E375 VanDerWaalsContact NH1-OE1 3.11Å; R238-E375 IonicContact NH1-OE2 3.26Å; R238-E375 PolarHBondContact NH1-OE2 3.42Å; V371-E375 PolarHBondContact O-N 2.72Å; V371-E375 VanDerWaalsContact O-N 3.16Å; Q372-E375 PolarHBondContact O-N 2.8Å; E375-V377 VanDerWaalsContact C-N 3.27Å; E375-V377 PolarHBondContact O-N 3.17Å; E375-I378 PolarHBondContact O-N 3.43Å; E375-I378 VanDerWaalsContact O-N 3.16Å; E375-M379 WeakPolarHBondContact O-CG 3.38Å; E375-M379 PolarHBondContact O-N 3.38Å
376	P	97.5	Very high	96.7	Very high	72 Å²	72	27.7 Å²	27.7	47%	0.468	13%	0.13	S	C	.	.	H	α-helix	trans	-60.9	-33.3	176.7	-23.4	35.2	0	0	0	113.8	R373 M379 E380	R373-P376 WeakPolarHBondContact O-CD 3.39Å; P376-M379 PolarHBondContact O-N 3.08Å; P376-E380 PolarHBondContact O-N 3.21Å; P376-E380 VanDerWaalsContact O-N 3.08Å
377	V	98.4	Very high	96.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-67.9	-43.7	176.6	180	0	0	0	0	110.2	W301 W322 A324 L325 L374 E375 M379 E380 L381 L399	W301-V377 HydrophobicContact CE3-CG1 4.36Å; W301-V377 HydrophobicContact CZ3-CG1 4.1Å; W322-V377 HydrophobicContact CE3-CG2 4.12Å; A324-V377 HydrophobicContact CB-CG2 3.9Å; L325-V377 HydrophobicContact CD2-CG1 3.96Å; L325-V377 HydrophobicContact CD2-CG2 4.29Å; L325-V377 HydrophobicContact CG-CG1 4.5Å; L325-V377 HydrophobicContact CG-CG2 4.29Å; L374-V377 HydrophobicContact CD2-CB 4.33Å; L374-V377 HydrophobicContact CD2-CG2 4.05Å; L374-V377 WeakPolarHBondContact O-CA 3.38Å; L374-V377 WeakPolarHBondContact O-CB 3.41Å; L374-V377 PolarHBondContact O-N 3.1Å; E375-V377 VanDerWaalsContact C-N 3.27Å; E375-V377 PolarHBondContact O-N 3.17Å; V377-M379 VanDerWaalsContact C-N 3.33Å; V377-M379 PolarHBondContact O-N 3.27Å; V377-E380 PolarHBondContact O-N 3.24Å; V377-L381 HydrophobicContact CG1-CD1 4.28Å; V377-L381 HydrophobicContact CG1-CG 4.45Å; V377-L381 WeakPolarHBondContact O-CG 3Å; V377-L381 PolarHBondContact O-N 3.25Å; V377-L399 HydrophobicContact CG1-CD2 4.21Å
378	I	97.8	Very high	96.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.9	-41.7	175.9	-66.9	-58.9	0	0	0	111.2	W66 L374 E375 E380 L381 E382 L399 Y402 F403	W66-I378 HydrophobicContact CE3-CG1 4.37Å; W66-I378 HydrophobicContact CH2-CB 4.49Å; W66-I378 HydrophobicContact CH2-CD1 4.5Å; W66-I378 HydrophobicContact CH2-CG1 3.5Å; W66-I378 HydrophobicContact CZ2-CD1 4.44Å; W66-I378 HydrophobicContact CZ2-CG1 3.89Å; W66-I378 HydrophobicContact CZ3-CB 4.37Å; W66-I378 HydrophobicContact CZ3-CG1 3.77Å; L374-I378 PolarHBondContact O-N 3.19Å; E375-I378 PolarHBondContact O-N 3.43Å; E375-I378 VanDerWaalsContact O-N 3.16Å; I378-E380 VanDerWaalsContact C-N 3.32Å; I378-E380 PolarHBondContact O-N 3.25Å; I378-L381 HydrophobicContact CD1-CD1 4.36Å; I378-L381 PolarHBondContact O-N 3.12Å; I378-E382 WeakPolarHBondContact O-CB 3.28Å; I378-E382 WeakPolarHBondContact O-CG 3.37Å; I378-E382 PolarHBondContact O-N 3.08Å; I378-L399 HydrophobicContact CD1-CD2 3.56Å; I378-L399 HydrophobicContact CG1-CD2 4.34Å; I378-Y402 HydrophobicContact CD1-CD1 3.7Å; I378-Y402 HydrophobicContact CD1-CE1 4.43Å; I378-Y402 HydrophobicContact CD1-CG 3.78Å; I378-Y402 HydrophobicContact CG1-CD1 4.49Å; I378-Y402 HydrophobicContact CG1-CG 4.28Å; I378-Y402 HydrophobicContact CG2-CD1 3.84Å; I378-Y402 HydrophobicContact CG2-CD2 3.84Å; I378-Y402 HydrophobicContact CG2-CE1 3.59Å; I378-Y402 HydrophobicContact CG2-CE2 3.59Å; I378-Y402 HydrophobicContact CG2-CG 3.95Å; I378-Y402 VanDerWaalsContact CG2-CZ 3.46Å; I378-F403 HydrophobicContact CD1-CE2 4.4Å
379	M	96.9	Very high	96.8	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.02	13%	0.126	C	C	.	.	H	α-helix	trans	-61.3	-43.2	177.3	-62.4	-61.3	91.3	0	0	111.7	Y63 Y241 Y242 E375 P376 V377 E382 R383	Y63-M379 HydrophobicContact CD2-CE 3.67Å; Y63-M379 HydrophobicContact CE2-CE 3.36Å; Y63-M379 HydrophobicContact CE2-SD 4.13Å; Y241-M379 HydrophobicContact CD1-SD 4.21Å; Y241-M379 HydrophobicContact CE1-CB 4.35Å; Y241-M379 HydrophobicContact CE1-CG 3.71Å; Y241-M379 HydrophobicContact CE1-SD 3.89Å; Y242-M379 HydrophobicContact CD2-CE 3.54Å; Y242-M379 HydrophobicContact CD2-SD 3.88Å; Y242-M379 HydrophobicContact CE2-CE 3.83Å; E375-M379 WeakPolarHBondContact O-CG 3.38Å; E375-M379 PolarHBondContact O-N 3.38Å; P376-M379 PolarHBondContact O-N 3.08Å; V377-M379 VanDerWaalsContact C-N 3.33Å; V377-M379 PolarHBondContact O-N 3.27Å; M379-E382 PolarHBondContact O-N 2.94Å; M379-R383 PolarHBondContact O-N 2.86Å
380	E	97.3	Very high	96.8	Very high	38 Å²	38	25.1 Å²	25.1	18%	0.178	12%	0.117	C	C	.	.	H	α-helix	trans	-69.8	-39.3	177.9	-167.3	62.1	-163.9	0	0	111.7	W301 W322 P376 V377 I378 E382 R383 Q384	W301-E380 HydrophobicContact CH2-CB 3.74Å; W301-E380 HydrophobicContact CH2-CG 3.42Å; W301-E380 VanDerWaalsContact CH2-CG 3.42Å; W301-E380 HydrophobicContact CZ2-CB 4.41Å; W301-E380 HydrophobicContact CZ2-CG 3.6Å; W301-E380 HydrophobicContact CZ3-CB 4.42Å; W301-E380 HydrophobicContact CZ3-CG 4.45Å; W322-E380 HydrophobicContact CH2-CB 4.05Å; W322-E380 HydrophobicContact CH2-CG 3.86Å; W322-E380 HydrophobicContact CZ2-CG 4.16Å; P376-E380 PolarHBondContact O-N 3.21Å; P376-E380 VanDerWaalsContact O-N 3.08Å; V377-E380 PolarHBondContact O-N 3.24Å; I378-E380 VanDerWaalsContact C-N 3.32Å; I378-E380 PolarHBondContact O-N 3.25Å; E380-E382 PolarHBondContact O-N 3.31Å; E380-R383 WeakPolarHBondContact O-CB 3.23Å; E380-R383 PolarHBondContact O-N 3.07Å; E380-R383 IonicContact OE1-CZ 3.65Å; E380-R383 VanDerWaalsContact OE1-CZ 3.31Å; E380-R383 IonicContact OE1-NE 2.91Å; E380-R383 PolarHBondContact OE1-NE 3.08Å; E380-R383 IonicContact OE1-NH2 3.52Å; E380-R383 PolarHBondContact OE1-NH2 3.45Å; E380-R383 IonicContact OE2-CZ 3.79Å; E380-R383 IonicContact OE2-NE 2.66Å; E380-R383 PolarHBondContact OE2-NE 3.46Å; E380-R383 IonicContact OE2-NH2 3.31Å; E380-Q384 HydrophobicContact CG-CG 4.25Å; E380-Q384 VanDerWaalsContact O-CG 3.3Å; E380-Q384 WeakPolarHBondContact O-CG 3.24Å; E380-Q384 PolarHBondContact O-N 3.17Å; E380-Q384 PolarHBondContact OE1-NE2 3.12Å
381	L	96.5	Very high	96.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.1	-31.7	172.1	-73.4	175.7	0	0	0	112.6	R251 I253 W301 V377 I378 R383 V387 V389 L399 F403	R251-L381 PolarHBondContact NH2-O 3.01Å; I253-L381 HydrophobicContact CG2-CD2 4.26Å; W301-L381 HydrophobicContact CE3-CD2 4.05Å; W301-L381 HydrophobicContact CH2-CD2 3.82Å; W301-L381 HydrophobicContact CH2-CG 4.14Å; W301-L381 HydrophobicContact CZ3-CD2 3.36Å; W301-L381 HydrophobicContact CZ3-CG 3.6Å; V377-L381 HydrophobicContact CG1-CD1 4.28Å; V377-L381 HydrophobicContact CG1-CG 4.45Å; V377-L381 WeakPolarHBondContact O-CG 3Å; V377-L381 PolarHBondContact O-N 3.25Å; I378-L381 HydrophobicContact CD1-CD1 4.36Å; I378-L381 PolarHBondContact O-N 3.12Å; L381-R383 VanDerWaalsContact C-N 3.29Å; L381-V387 HydrophobicContact CD2-CB 4.01Å; L381-V387 HydrophobicContact CD2-CG1 3.91Å; L381-V387 HydrophobicContact CD2-CG2 4.27Å; L381-V389 HydrophobicContact CD2-CG2 3.96Å; L381-L399 HydrophobicContact CD1-CD2 4.32Å; L381-F403 HydrophobicContact CB-CZ 4.05Å; L381-F403 HydrophobicContact CD1-CE2 3.79Å; L381-F403 HydrophobicContact CD1-CZ 3.89Å
382	E	94.5	Very high	96.9	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-72.1	-24.6	175.2	-78.2	-67.9	179.8	0	0	113.2	K59 R62 Y242 N245 I246 H247 R251 I378 M379 E380 Y402	K59-E382 IonicContact NZ-OE1 3.82Å; K59-E382 PolarHBondContact NZ-OE1 3.11Å; K59-E382 IonicContact NZ-OE2 2.98Å; K59-E382 PolarHBondContact NZ-OE2 3.16Å; R62-E382 IonicContact NH2-OE1 2.82Å; Y242-E382 HydrophobicContact CE2-CG 4.24Å; N245-E382 CarbonylContact O-C 3.59Å; N245-E382 VanDerWaalsContact O-C 3.24Å; N245-E382 VanDerWaalsContact O-O 3.04Å; I246-E382 HydrophobicContact CG2-CB 4.17Å; I246-E382 HydrophobicContact CG2-CG 4.23Å; H247-E382 PolarHBondContact CD2-O 3.35Å; R251-E382 IonicContact CZ-OE2 2.78Å; R251-E382 PolarHBondContact NH1-O 2.79Å; R251-E382 PolarHBondContact NH2-O 3.3Å; R251-E382 IonicContact NH2-OE2 2.66Å; R251-E382 PolarHBondContact NH2-OE2 2.92Å; I378-E382 WeakPolarHBondContact O-CB 3.28Å; I378-E382 WeakPolarHBondContact O-CG 3.37Å; I378-E382 PolarHBondContact O-N 3.08Å; M379-E382 PolarHBondContact O-N 2.94Å; E380-E382 PolarHBondContact O-N 3.31Å; E382-Y402 VanDerWaalsContact CD-OH 3.32Å; E382-Y402 HydrophobicContact CG-CE1 4.33Å; E382-Y402 WeakPolarHBondContact CG-OH 3.44Å; E382-Y402 WeakPolarHBondContact OE1-CE1 3.23Å; E382-Y402 PolarHBondContact OE1-OH 2.98Å
383	R	93.4	Very high	97.1	Very high	125 Å²	125	23.3 Å²	23.3	47%	0.472	11%	0.109	S	C	.	.	H	α-helix	trans	-89.6	-29.6	179.7	-165.9	179.6	77.1	93.4	-5.1	113.6	N245 H247 M379 E380 L381	N245-R383 WeakPolarHBondContact O-CA 3.13Å; N245-R383 PolarHBondContact O-N 2.97Å; H247-R383 PolarHBondContact NE2-O 2.82Å; M379-R383 PolarHBondContact O-N 2.86Å; E380-R383 WeakPolarHBondContact O-CB 3.23Å; E380-R383 PolarHBondContact O-N 3.07Å; E380-R383 IonicContact OE1-CZ 3.65Å; E380-R383 VanDerWaalsContact OE1-CZ 3.31Å; E380-R383 IonicContact OE1-NE 2.91Å; E380-R383 PolarHBondContact OE1-NE 3.08Å; E380-R383 IonicContact OE1-NH2 3.52Å; E380-R383 PolarHBondContact OE1-NH2 3.45Å; E380-R383 IonicContact OE2-CZ 3.79Å; E380-R383 IonicContact OE2-NE 2.66Å; E380-R383 PolarHBondContact OE2-NE 3.46Å; E380-R383 IonicContact OE2-NH2 3.31Å; L381-R383 VanDerWaalsContact C-N 3.29Å
384	Q	94	Very high	97.2	Very high	19 Å²	19	20.9 Å²	20.9	9%	0.089	10%	0.1	C	C	.	.			trans	-82	161.6	-178.6	-67.4	-53.5	-33	0	0	112.9	H247 R251 K299 W301 E380 V387	H247-Q384 PolarHBondContact NE2-O 3.1Å; H247-Q384 VanDerWaalsContact NE2-O 3.14Å; R251-Q384 WeakPolarHBondContact CD-O 3.35Å; R251-Q384 PolarHBondContact NE-O 3.31Å; R251-Q384 PolarHBondContact NH1-O 3.22Å; K299-Q384 HydrophobicContact CD-CG 4.29Å; W301-Q384 HydrophobicContact CH2-CG 4.1Å; W301-Q384 HydrophobicContact CZ2-CG 3.8Å; E380-Q384 HydrophobicContact CG-CG 4.25Å; E380-Q384 VanDerWaalsContact O-CG 3.3Å; E380-Q384 WeakPolarHBondContact O-CG 3.24Å; E380-Q384 PolarHBondContact O-N 3.17Å; E380-Q384 PolarHBondContact OE1-NE2 3.12Å; Q384-V387 HydrophobicContact CB-CG2 3.38Å; Q384-V387 HydrophobicContact CG-CG2 3.96Å
385	E	92.6	Very high	97.2	Very high	100 Å²	100	20.9 Å²	20.9	47%	0.467	10%	0.1	S	C	.	.	S	Bend	trans	-88.8	-99.4	168.3	-64.3	-175	-177.1	0	0	110.7	R251	R251-E385 HydrophobicContact CB-CB 4.27Å; R251-E385 WeakPolarHBondContact CB-O 3.34Å; R251-E385 WeakPolarHBondContact CD-O 3.48Å
386	N	96	Very high	97.3	Very high	31 Å²	31	19.6 Å²	19.6	17%	0.166	9%	0.094	C	C	.	.	S	Bend	trans	-90.7	117.4	-175	-57.2	-56.7	0	0	0	111.5	S252 I295 L298 K299	S252-N386 PolarHBondContact N-OD1 3.13Å; S252-N386 WeakPolarHBondContact O-CA 3.48Å; I295-N386 HydrophobicContact CG2-CB 3.54Å; L298-N386 HydrophobicContact CD1-CB 4.39Å; K299-N386 PolarHBondContact N-O 3.29Å
387	V	98.2	Very high	97.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133.5	-177.6	-172.2	0	0	0	0	110.5	S252 I253 Y254 K299 W301 L381 Q384 V389	S252-V387 PolarHBondContact O-N 3.08Å; I253-V387 CarbonylContact C-O 3.54Å; I253-V387 WeakPolarHBondContact CA-O 3.38Å; Y254-V387 PolarHBondContact N-O 3.33Å; K299-V387 HydrophobicContact CB-CG1 4.47Å; K299-V387 HydrophobicContact CB-CG2 4.37Å; K299-V387 CarbonylContact O-C 3.51Å; K299-V387 WeakPolarHBondContact O-CA 3.48Å; W301-V387 HydrophobicContact CD2-CG1 3.69Å; W301-V387 HydrophobicContact CE3-CG1 3.88Å; W301-V387 HydrophobicContact CG-CG1 4.18Å; W301-V387 HydrophobicContact CH2-CG1 4.24Å; W301-V387 HydrophobicContact CZ2-CG1 4.12Å; W301-V387 HydrophobicContact CZ2-CG2 4.38Å; W301-V387 HydrophobicContact CZ3-CG1 4.18Å; L381-V387 HydrophobicContact CD2-CB 4.01Å; L381-V387 HydrophobicContact CD2-CG1 3.91Å; L381-V387 HydrophobicContact CD2-CG2 4.27Å; Q384-V387 HydrophobicContact CB-CG2 3.38Å; Q384-V387 HydrophobicContact CG-CG2 3.96Å; V387-V389 HydrophobicContact CG1-CG2 3.95Å
388	L	98.8	Very high	97.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.3	163.2	170.2	65.8	0	0	0	109.5	Y254 M290 L298 K299 V300 W301 L315 I390	Y254-L388 CarbonylContact O-C 3.57Å; Y254-L388 WeakPolarHBondContact O-CA 3.49Å; M290-L388 HydrophobicContact CE-CB 4.33Å; M290-L388 HydrophobicContact CE-CD2 4.37Å; M290-L388 HydrophobicContact CG-CD2 4.01Å; M290-L388 HydrophobicContact SD-CD2 4.42Å; L298-L388 HydrophobicContact CD1-CB 4.13Å; K299-L388 PolarHBondContact O-N 2.99Å; V300-L388 CarbonylContact C-O 3.55Å; V300-L388 WeakPolarHBondContact CA-O 3.47Å; V300-L388 HydrophobicContact CG1-CD2 4.3Å; V300-L388 HydrophobicContact CG2-CB 4.42Å; V300-L388 HydrophobicContact CG2-CD2 4.37Å; W301-L388 PolarHBondContact N-O 3.31Å; L315-L388 HydrophobicContact CD2-CD2 3.58Å; L388-I390 HydrophobicContact CD1-CG1 4.37Å; L388-I390 HydrophobicContact CD2-CD1 4.14Å; L388-I390 HydrophobicContact CD2-CG1 4.18Å; L388-I390 HydrophobicContact CG-CG1 4.05Å
389	V	98.9	Very high	97.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	115.5	174.2	-172.1	0	0	0	0	109.2	Y254 L255 S256 W301 L325 L381 V387 C391 L399	Y254-V389 PolarHBondContact O-N 3.18Å; L255-V389 HydrophobicContact CD2-CB 3.72Å; L255-V389 HydrophobicContact CD2-CG2 3.92Å; S256-V389 PolarHBondContact N-O 2.95Å; S256-V389 VanDerWaalsContact O-O 3.08Å; W301-V389 HydrophobicContact CE3-CG2 4Å; L325-V389 HydrophobicContact CD1-CG1 3.73Å; L325-V389 HydrophobicContact CD2-CG1 3.9Å; L381-V389 HydrophobicContact CD2-CG2 3.96Å; V387-V389 HydrophobicContact CG1-CG2 3.95Å; V389-C391 HydrophobicContact CG1-CB 4.13Å; V389-L399 HydrophobicContact CG1-CD1 4.08Å
390	I	98.9	Very high	97.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	105.5	173.8	-56.7	169.5	0	0	0	107.9	S256 L286 V300 W301 T302 T308 T311 A312 L315 L388	S256-I390 WeakPolarHBondContact O-CA 3.48Å; L286-I390 HydrophobicContact CD2-CD1 4.07Å; L286-I390 HydrophobicContact CD2-CG1 4.31Å; V300-I390 HydrophobicContact CG1-CD1 4.09Å; W301-I390 PolarHBondContact O-N 3.26Å; T302-I390 WeakPolarHBondContact CA-O 3.35Å; T308-I390 HydrophobicContact CG2-CG2 4.39Å; T311-I390 HydrophobicContact CG2-CD1 4.18Å; T311-I390 HydrophobicContact CG2-CG2 3.91Å; A312-I390 HydrophobicContact CB-CD1 3.9Å; L315-I390 HydrophobicContact CD2-CD1 4.33Å; L388-I390 HydrophobicContact CD1-CG1 4.37Å; L388-I390 HydrophobicContact CD2-CD1 4.14Å; L388-I390 HydrophobicContact CD2-CG1 4.18Å; L388-I390 HydrophobicContact CG-CG1 4.05Å
391	C	98.9	Very high	97.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	-144.4	-171.1	61.8	0	0	0	0	112.1	S256 R257 H258 L325 V389 V395	S256-C391 PolarHBondContact O-N 3.03Å; R257-C391 CarbonylContact C-O 3.48Å; R257-C391 VanDerWaalsContact CA-O 3.28Å; R257-C391 WeakPolarHBondContact CA-O 3.31Å; H258-C391 PolarHBondContact CD2-O 3.14Å; H258-C391 VanDerWaalsContact CD2-O 3.25Å; H258-C391 PolarHBondContact N-O 2.7Å; L325-C391 HydrophobicContact CD2-CB 4.39Å; V389-C391 HydrophobicContact CG1-CB 4.13Å; C391-V395 HydrophobicContact CB-CB 4.22Å; C391-V395 HydrophobicContact CB-CG1 3.75Å
392	H	98.9	Very high	97.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	6%	0.064	C	C	.	.			trans	-131.3	177	-170.5	-50.6	-92	0	0	0	111.5	H258 S303 M305 R307 T308 L325 E327 V395 M396	H258-H392 AromaticContact CD2-CE1 3.84Å; H258-H392 AromaticContact CD2-ND1 3.23Å; H258-H392 PolarHBondContact CD2-ND1 2.8Å; H258-H392 AromaticContact NE2-ND1 3.49Å; H258-H392 PolarHBondContact NE2-ND1 2.81Å; S303-H392 WeakPolarHBondContact CB-NE2 3.43Å; S303-H392 PolarHBondContact OG-NE2 3.24Å; M305-H392 PolarHBondContact SD-CE1 3.31Å; M305-H392 PolarHBondContact SD-NE2 3.18Å; R307-H392 PolarHBondContact NE-CE1 3.04Å; R307-H392 VanDerWaalsContact NE-CE1 3.25Å; R307-H392 PolarHBondContact NE-ND1 3.01Å; R307-H392 VanDerWaalsContact NE-ND1 3.1Å; R307-H392 PolarHBondContact NH2-CE1 3.38Å; R307-H392 PolarHBondContact NH2-ND1 3.37Å; T308-H392 VanDerWaalsContact CG2-CE1 3.45Å; T308-H392 WeakPolarHBondContact CG2-CE1 3.2Å; T308-H392 WeakPolarHBondContact CG2-NE2 3.38Å; L325-H392 PolarHBondContact O-CD2 3.15Å; E327-H392 HydrophobicContact CB-CB 3.74Å; E327-H392 HydrophobicContact CG-CB 3.9Å; E327-H392 PolarHBondContact N-CD2 3.34Å; E327-H392 VanDerWaalsContact N-CD2 3.34Å; E327-H392 WeakPolarHBondContact OE1-CB 3.27Å; E327-H392 WeakPolarHBondContact OE2-CB 3.4Å; H392-V395 HydrophobicContact CB-CG2 4.4Å; H392-M396 WeakPolarHBondContact O-CB 3.45Å; H392-M396 PolarHBondContact O-N 2.86Å
393	Q	98.8	Very high	97.6	Very high	18 Å²	18	14.6 Å²	14.6	8%	0.084	6%	0.064	C	C	.	.	H	α-helix	trans	-67	-50.1	-171.1	-175.2	170.3	-101.2	0	0	112.1	E327 R397 T445	E327-Q393 PolarHBondContact OE2-N 3.5Å; Q393-R397 VanDerWaalsContact O-CG 3.24Å; Q393-R397 WeakPolarHBondContact O-CG 3.41Å; Q393-R397 PolarHBondContact O-N 3.1Å; Q393-T445 PolarHBondContact NE2-O 3.3Å; Q393-T445 PolarHBondContact OE1-O 2.7Å; Q393-T445 PolarHBondContact OE1-OG1 3.04Å
394	A	98.8	Very high	97.8	Very high	2 Å²	2	11.2 Å²	11.2	2%	0.017	6%	0.055	C	C	.	.	H	α-helix	trans	-70.6	-39.5	-178.6	0	0	0	0	0	111.3	E327 I328 Y367 L370 R397 C398	E327-A394 WeakPolarHBondContact OE1-CB 3.46Å; E327-A394 PolarHBondContact OE1-N 2.98Å; E327-A394 VanDerWaalsContact OE1-N 3.11Å; E327-A394 PolarHBondContact OE2-N 2.84Å; I328-A394 HydrophobicContact CB-CB 3.84Å; I328-A394 HydrophobicContact CG2-CB 3.58Å; Y367-A394 HydrophobicContact CD1-CB 4.45Å; Y367-A394 HydrophobicContact CE1-CB 3.58Å; Y367-A394 WeakPolarHBondContact OH-CB 3.49Å; L370-A394 HydrophobicContact CD2-CB 3.79Å; A394-R397 WeakPolarHBondContact O-CB 3.43Å; A394-R397 PolarHBondContact O-N 2.83Å; A394-C398 PolarHBondContact O-N 3.35Å; A394-C398 VanDerWaalsContact O-N 3.12Å; A394-C398 PolarHBondContact O-SG 3.21Å
395	V	98.9	Very high	97.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-59	-50.9	175.7	176.6	0	0	0	0	111.6	L325 N326 E327 L370 L374 C391 H392 R397 C398 L399	L325-V395 HydrophobicContact CD2-CG1 3.72Å; N326-V395 WeakPolarHBondContact O-CG2 3.11Å; E327-V395 PolarHBondContact OE1-N 2.93Å; L370-V395 HydrophobicContact CD1-CG2 4.13Å; L370-V395 HydrophobicContact CD2-CG2 4.37Å; L374-V395 HydrophobicContact CD1-CG1 4.09Å; L374-V395 HydrophobicContact CD2-CG1 3.97Å; C391-V395 HydrophobicContact CB-CB 4.22Å; C391-V395 HydrophobicContact CB-CG1 3.75Å; H392-V395 HydrophobicContact CB-CG2 4.4Å; V395-R397 VanDerWaalsContact C-N 3.28Å; V395-R397 PolarHBondContact O-N 3.42Å; V395-C398 WeakPolarHBondContact O-CB 3.35Å; V395-C398 PolarHBondContact O-N 3.29Å; V395-C398 VanDerWaalsContact O-N 3.12Å; V395-L399 HydrophobicContact CG1-CD1 4.22Å; V395-L399 HydrophobicContact CG1-CG 4.48Å; V395-L399 WeakPolarHBondContact O-CG 3.48Å; V395-L399 PolarHBondContact O-N 3.37Å
396	M	98.9	Very high	98.1	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-62.5	-36.4	-179.1	-172.8	169.1	171.7	0	0	111.7	L255 R257 H392 L399 L400 C416 L422	L255-M396 HydrophobicContact CB-CE 3.8Å; L255-M396 HydrophobicContact CB-CG 4.31Å; L255-M396 HydrophobicContact CB-SD 4.42Å; R257-M396 HydrophobicContact CG-SD 3.89Å; H392-M396 WeakPolarHBondContact O-CB 3.45Å; H392-M396 PolarHBondContact O-N 2.86Å; M396-L399 PolarHBondContact O-N 3.44Å; M396-L400 HydrophobicContact CE-CD1 4.33Å; M396-L400 HydrophobicContact CG-CD1 4.13Å; M396-L400 HydrophobicContact CG-CG 4.41Å; M396-L400 WeakPolarHBondContact O-CB 3.38Å; M396-L400 VanDerWaalsContact O-CG 3.3Å; M396-L400 WeakPolarHBondContact O-CG 3.21Å; M396-L400 PolarHBondContact O-N 3.02Å; M396-C416 HydrophobicContact CB-CB 4.32Å; M396-C416 HydrophobicContact CE-CB 4.42Å; M396-C416 HydrophobicContact CG-CB 4.11Å; M396-C416 HydrophobicContact SD-CB 3.91Å; M396-L422 HydrophobicContact CE-CB 4.09Å; M396-L422 HydrophobicContact CE-CD1 3.46Å; M396-L422 VanDerWaalsContact CE-CD1 3.46Å; M396-L422 HydrophobicContact CE-CG 3.58Å
397	R	98.8	Very high	98.1	Very high	4 Å²	4	15 Å²	15	2%	0.015	8%	0.079	C	C	.	.	H	α-helix	trans	-59.4	-47.1	172.3	-74.2	173.9	168.1	151.3	-3	112	Y367 Q393 A394 V395 L400 A401 L411 P412 L414 H446	Y367-R397 HydrophobicContact CE1-CB 4.3Å; Y367-R397 PolarHBondContact OH-NH1 3.24Å; Q393-R397 VanDerWaalsContact O-CG 3.24Å; Q393-R397 WeakPolarHBondContact O-CG 3.41Å; Q393-R397 PolarHBondContact O-N 3.1Å; A394-R397 WeakPolarHBondContact O-CB 3.43Å; A394-R397 PolarHBondContact O-N 2.83Å; V395-R397 VanDerWaalsContact C-N 3.28Å; V395-R397 PolarHBondContact O-N 3.42Å; R397-L400 PolarHBondContact O-N 3.41Å; R397-A401 WeakPolarHBondContact O-CB 3.13Å; R397-A401 PolarHBondContact O-N 2.69Å; R397-L411 HydrophobicContact CB-CD2 4.5Å; R397-L411 WeakPolarHBondContact CB-O 3.4Å; R397-P412 PolarHBondContact NE-O 3.47Å; R397-P412 PolarHBondContact NH1-O 3.04Å; R397-L414 HydrophobicContact CB-CB 4.48Å; R397-L414 HydrophobicContact CG-CB 4.06Å; R397-L414 WeakPolarHBondContact CG-O 3.41Å; R397-L414 PolarHBondContact NE-O 3.19Å; R397-H446 PolarHBondContact NH2-CE1 3.26Å; R397-H446 PolarHBondContact NH2-ND1 3.42Å; R397-H446 VanDerWaalsContact NH2-ND1 3.1Å
398	C	98.8	Very high	97.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.9	-45.6	177.3	-69.7	0	0	0	0	112.3	W66 L370 L374 A394 V395 A401 Y402	W66-C398 HydrophobicContact CZ2-CB 4.42Å; W66-C398 PolarHBondContact NE1-O 3.15Å; L370-C398 VanDerWaalsContact CD2-SG 3.58Å; L374-C398 HydrophobicContact CD1-CB 3.45Å; L374-C398 VanDerWaalsContact CD1-CB 3.45Å; A394-C398 PolarHBondContact O-N 3.35Å; A394-C398 VanDerWaalsContact O-N 3.12Å; A394-C398 PolarHBondContact O-SG 3.21Å; V395-C398 WeakPolarHBondContact O-CB 3.35Å; V395-C398 PolarHBondContact O-N 3.29Å; V395-C398 VanDerWaalsContact O-N 3.12Å; C398-A401 PolarHBondContact O-N 2.7Å; C398-Y402 PolarHBondContact O-N 3.23Å
399	L	98.7	Very high	97.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.2	-45.4	177.9	-62.5	179	0	0	0	111.4	L255 L325 L374 V377 I378 L381 V389 V395 M396 A401 Y402 F403	L255-L399 HydrophobicContact CD1-CB 4.02Å; L255-L399 HydrophobicContact CD2-CD1 4.12Å; L325-L399 HydrophobicContact CD2-CD1 4.25Å; L374-L399 HydrophobicContact CD1-CD2 4.39Å; L374-L399 HydrophobicContact CD2-CD2 4.44Å; V377-L399 HydrophobicContact CG1-CD2 4.21Å; I378-L399 HydrophobicContact CD1-CD2 3.56Å; I378-L399 HydrophobicContact CG1-CD2 4.34Å; L381-L399 HydrophobicContact CD1-CD2 4.32Å; V389-L399 HydrophobicContact CG1-CD1 4.08Å; V395-L399 HydrophobicContact CG1-CD1 4.22Å; V395-L399 HydrophobicContact CG1-CG 4.48Å; V395-L399 WeakPolarHBondContact O-CG 3.48Å; V395-L399 PolarHBondContact O-N 3.37Å; M396-L399 PolarHBondContact O-N 3.44Å; L399-A401 VanDerWaalsContact C-N 3.35Å; L399-A401 PolarHBondContact O-N 2.7Å; L399-Y402 WeakPolarHBondContact O-CB 3.22Å; L399-Y402 PolarHBondContact O-N 2.84Å; L399-F403 WeakPolarHBondContact O-CD2 3.36Å; L399-F403 PolarHBondContact O-N 2.91Å
400	L	98.1	Very high	97.6	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-62.6	-41.7	176.3	-76.8	172.2	0	0	0	112	L255 M396 R397 Y402 F403 L404 L414 C416 L422 L424	L255-L400 HydrophobicContact CD1-CD2 3.76Å; L255-L400 HydrophobicContact CD1-CG 3.88Å; M396-L400 HydrophobicContact CE-CD1 4.33Å; M396-L400 HydrophobicContact CG-CD1 4.13Å; M396-L400 HydrophobicContact CG-CG 4.41Å; M396-L400 WeakPolarHBondContact O-CB 3.38Å; M396-L400 VanDerWaalsContact O-CG 3.3Å; M396-L400 WeakPolarHBondContact O-CG 3.21Å; M396-L400 PolarHBondContact O-N 3.02Å; R397-L400 PolarHBondContact O-N 3.41Å; L400-Y402 PolarHBondContact O-N 2.99Å; L400-F403 PolarHBondContact O-N 2.95Å; L400-F403 VanDerWaalsContact O-N 3.15Å; L400-L404 HydrophobicContact CB-CD1 4.46Å; L400-L404 HydrophobicContact CD2-CD1 4.24Å; L400-L404 VanDerWaalsContact O-CB 3.28Å; L400-L404 WeakPolarHBondContact O-CB 3.01Å; L400-L404 VanDerWaalsContact O-CG 3.28Å; L400-L404 WeakPolarHBondContact O-CG 3.47Å; L400-L404 PolarHBondContact O-N 3.02Å; L400-L414 HydrophobicContact CB-CD1 4.1Å; L400-C416 WeakPolarHBondContact CD1-SG 3.36Å; L400-L422 HydrophobicContact CD1-CD1 3.53Å; L400-L422 HydrophobicContact CD2-CD1 3.74Å; L400-L422 HydrophobicContact CG-CD1 4.23Å; L400-L424 HydrophobicContact CD2-CD1 4.22Å; L400-L424 HydrophobicContact CD2-CD2 4.01Å
401	A	98.3	Very high	97.6	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-59.8	-37.1	178.7	0	0	0	0	0	112.2	R397 C398 L399 D405 K406 L411 L414	R397-A401 WeakPolarHBondContact O-CB 3.13Å; R397-A401 PolarHBondContact O-N 2.69Å; C398-A401 PolarHBondContact O-N 2.7Å; L399-A401 VanDerWaalsContact C-N 3.35Å; L399-A401 PolarHBondContact O-N 2.7Å; A401-D405 WeakPolarHBondContact O-CA 3.35Å; A401-D405 PolarHBondContact O-N 3.36Å; A401-K406 HydrophobicContact CB-CB 3.9Å; A401-K406 PolarHBondContact O-N 3.5Å; A401-L411 HydrophobicContact CB-CB 3.82Å; A401-L411 HydrophobicContact CB-CD1 3.52Å; A401-L411 HydrophobicContact CB-CG 3.51Å; A401-L414 HydrophobicContact CB-CD1 3.86Å
402	Y	97.8	Very high	97.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.4	-52.6	171.8	173.7	-99.9	0	0	0	112	R62 Y63 W66 Y242 I378 E382 C398 L399 L400 L404	R62-Y402 WeakPolarHBondContact CD-O 3.17Å; R62-Y402 WeakPolarHBondContact CG-O 3.22Å; R62-Y402 PolarHBondContact NE-O 3.43Å; Y63-Y402 HydrophobicContact CD2-CE2 4.39Å; W66-Y402 HydrophobicContact CB-CD2 4.02Å; W66-Y402 HydrophobicContact CD2-CD2 4.03Å; W66-Y402 HydrophobicContact CD2-CG 4.48Å; W66-Y402 HydrophobicContact CE3-CD2 4.33Å; W66-Y402 AromaticContact CG-CD2 3.88Å; W66-Y402 HydrophobicContact CG-CD2 3.88Å; W66-Y402 HydrophobicContact CG-CG 4.42Å; Y242-Y402 WeakPolarHBondContact CE2-OH 3.42Å; Y242-Y402 PolarHBondContact OH-OH 2.99Å; I378-Y402 HydrophobicContact CD1-CD1 3.7Å; I378-Y402 HydrophobicContact CD1-CE1 4.43Å; I378-Y402 HydrophobicContact CD1-CG 3.78Å; I378-Y402 HydrophobicContact CG1-CD1 4.49Å; I378-Y402 HydrophobicContact CG1-CG 4.28Å; I378-Y402 HydrophobicContact CG2-CD1 3.84Å; I378-Y402 HydrophobicContact CG2-CD2 3.84Å; I378-Y402 HydrophobicContact CG2-CE1 3.59Å; I378-Y402 HydrophobicContact CG2-CE2 3.59Å; I378-Y402 HydrophobicContact CG2-CG 3.95Å; I378-Y402 VanDerWaalsContact CG2-CZ 3.46Å; E382-Y402 VanDerWaalsContact CD-OH 3.32Å; E382-Y402 HydrophobicContact CG-CE1 4.33Å; E382-Y402 WeakPolarHBondContact CG-OH 3.44Å; E382-Y402 WeakPolarHBondContact OE1-CE1 3.23Å; E382-Y402 PolarHBondContact OE1-OH 2.98Å; C398-Y402 PolarHBondContact O-N 3.23Å; L399-Y402 WeakPolarHBondContact O-CB 3.22Å; L399-Y402 PolarHBondContact O-N 2.84Å; L400-Y402 PolarHBondContact O-N 2.99Å; Y402-L404 VanDerWaalsContact C-N 3.33Å; Y402-L404 PolarHBondContact O-N 3.47Å
403	F	96.3	Very high	97.5	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	14%	0.143	C	C	.	.	H	α-helix	trans	-71.3	-28.6	-175	-72.1	-68.8	0	0	0	113.5	R62 I253 I378 L381 L399 L400 L424 C431	R62-F403 PolarHBondContact NH1-O 3.05Å; I253-F403 HydrophobicContact CD1-CD1 4.47Å; I253-F403 HydrophobicContact CD1-CE1 3.58Å; I253-F403 HydrophobicContact CD1-CE2 4.27Å; I253-F403 HydrophobicContact CD1-CZ 3.47Å; I253-F403 VanDerWaalsContact CD1-CZ 3.47Å; I378-F403 HydrophobicContact CD1-CE2 4.4Å; L381-F403 HydrophobicContact CB-CZ 4.05Å; L381-F403 HydrophobicContact CD1-CE2 3.79Å; L381-F403 HydrophobicContact CD1-CZ 3.89Å; L399-F403 WeakPolarHBondContact O-CD2 3.36Å; L399-F403 PolarHBondContact O-N 2.91Å; L400-F403 PolarHBondContact O-N 2.95Å; L400-F403 VanDerWaalsContact O-N 3.15Å; F403-L424 HydrophobicContact CB-CD1 3.93Å; F403-L424 HydrophobicContact CD2-CD1 3.55Å; F403-L424 HydrophobicContact CE2-CD1 4.3Å; F403-L424 HydrophobicContact CG-CD1 3.8Å; F403-C431 HydrophobicContact CB-CB 4.35Å; F403-C431 VanDerWaalsContact O-CB 3.32Å; F403-C431 WeakPolarHBondContact O-CB 3.24Å
404	L	96	Very high	97.5	Very high	53 Å²	53	26.3 Å²	26.3	28%	0.277	15%	0.146	S	C	.	.	H	α-helix	trans	-100.6	5.3	-176.4	-53.9	-175.1	0	0	0	114	L400 Y402 K406 C431 V433	L400-L404 HydrophobicContact CB-CD1 4.46Å; L400-L404 HydrophobicContact CD2-CD1 4.24Å; L400-L404 VanDerWaalsContact O-CB 3.28Å; L400-L404 WeakPolarHBondContact O-CB 3.01Å; L400-L404 VanDerWaalsContact O-CG 3.28Å; L400-L404 WeakPolarHBondContact O-CG 3.47Å; L400-L404 PolarHBondContact O-N 3.02Å; Y402-L404 VanDerWaalsContact C-N 3.33Å; Y402-L404 PolarHBondContact O-N 3.47Å; L404-K406 VanDerWaalsContact C-N 3.33Å; L404-K406 HydrophobicContact CB-CG 3.89Å; L404-K406 PolarHBondContact O-N 2.71Å; L404-C431 HydrophobicContact CD2-CB 4.13Å; L404-V433 HydrophobicContact CD1-CG2 4Å; L404-V433 HydrophobicContact CD2-CG2 3.22Å; L404-V433 HydrophobicContact CG-CG2 4.21Å
405	D	96.1	Very high	97.4	Very high	105 Å²	105	33 Å²	33	56%	0.561	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	48.7	178.9	-162.3	29.9	0	0	0	112.2	R62 A401	R62-D405 HydrophobicContact CG-CB 4.1Å; R62-D405 WeakPolarHBondContact CG-OD1 3.33Å; A401-D405 WeakPolarHBondContact O-CA 3.35Å; A401-D405 PolarHBondContact O-N 3.36Å
406	K	97.2	Very high	97.4	Very high	77 Å²	77	33 Å²	33	34%	0.335	18%	0.175	S	C	.	.			trans	-92.5	139.1	-178.5	-61.9	-63.1	-166.6	173.8	0	111.3	A401 L404 E410 L414	A401-K406 HydrophobicContact CB-CB 3.9Å; A401-K406 PolarHBondContact O-N 3.5Å; L404-K406 VanDerWaalsContact C-N 3.33Å; L404-K406 HydrophobicContact CB-CG 3.89Å; L404-K406 PolarHBondContact O-N 2.71Å; K406-E410 HydrophobicContact CB-CB 4.36Å; K406-E410 WeakPolarHBondContact CD-OE1 3.38Å; K406-E410 IonicContact NZ-OE1 3.83Å; K406-E410 PolarHBondContact NZ-OE1 2.72Å; K406-L414 HydrophobicContact CB-CD1 4.2Å; K406-L414 HydrophobicContact CD-CD2 4.39Å; K406-L414 HydrophobicContact CG-CD1 4.1Å; K406-L414 HydrophobicContact CG-CD2 3.95Å
407	S	96.2	Very high	97.3	Very high	48 Å²	48	35.9 Å²	35.9	34%	0.336	19%	0.194	S	C	.	.			trans	-68.7	160.5	-178.7	63.2	0	0	0	0	112.2	S409 E410 L411	S407-S409 PolarHBondContact O-N 3.48Å; S407-S409 PolarHBondContact OG-OG 3.26Å; S407-S409 VanDerWaalsContact OG-OG 3.08Å; S407-E410 WeakPolarHBondContact CB-OE2 3.25Å; S407-E410 PolarHBondContact N-OE2 2.73Å; S407-E410 VanDerWaalsContact N-OE2 3.13Å; S407-E410 PolarHBondContact O-N 2.88Å; S407-E410 VanDerWaalsContact O-N 3.1Å; S407-E410 WeakPolarHBondContact OG-CG 3.37Å; S407-E410 PolarHBondContact OG-N 2.85Å; S407-E410 PolarHBondContact OG-OE2 3.31Å; S407-L411 WeakPolarHBondContact O-CB 3.16Å; S407-L411 PolarHBondContact O-N 3.15Å
408	A	94.2	Very high	97.3	Very high	37 Å²	37	36.1 Å²	36.1	31%	0.306	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-30	175.2	0	0	0	0	0	113	Y357 P412	Y357-A408 WeakPolarHBondContact CB-O 3.29Å; Y357-A408 HydrophobicContact CD1-CB 3.76Å; Y357-A408 HydrophobicContact CD2-CB 4.02Å; Y357-A408 WeakPolarHBondContact CD2-O 3.49Å; Y357-A408 HydrophobicContact CE1-CB 3.77Å; Y357-A408 HydrophobicContact CE2-CB 4.03Å; Y357-A408 HydrophobicContact CG-CB 3.89Å; A408-P412 WeakPolarHBondContact O-CD 3.16Å
409	S	94.3	Very high	97.3	Very high	72 Å²	72	36.1 Å²	36.1	50%	0.503	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-31.8	177.4	55.6	0	0	0	0	113.3	S407 Y413	S407-S409 PolarHBondContact O-N 3.48Å; S407-S409 PolarHBondContact OG-OG 3.26Å; S407-S409 VanDerWaalsContact OG-OG 3.08Å; S409-Y413 WeakPolarHBondContact O-CD2 3.33Å
410	E	97.3	Very high	97.3	Very high	78 Å²	78	36.6 Å²	36.6	36%	0.364	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-35.1	176.1	-71.2	168.4	96.9	0	0	112.4	K406 S407 Y413 L414	K406-E410 HydrophobicContact CB-CB 4.36Å; K406-E410 WeakPolarHBondContact CD-OE1 3.38Å; K406-E410 IonicContact NZ-OE1 3.83Å; K406-E410 PolarHBondContact NZ-OE1 2.72Å; S407-E410 WeakPolarHBondContact CB-OE2 3.25Å; S407-E410 PolarHBondContact N-OE2 2.73Å; S407-E410 VanDerWaalsContact N-OE2 3.13Å; S407-E410 PolarHBondContact O-N 2.88Å; S407-E410 VanDerWaalsContact O-N 3.1Å; S407-E410 WeakPolarHBondContact OG-CG 3.37Å; S407-E410 PolarHBondContact OG-N 2.85Å; S407-E410 PolarHBondContact OG-OE2 3.31Å; E410-Y413 CarbonylContact O-C 3.59Å; E410-Y413 PolarHBondContact O-N 2.92Å; E410-L414 PolarHBondContact O-N 3.48Å
411	L	98	Very high	97.3	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.021	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-50.9	-50.5	-170	176.6	169.3	0	0	0	113.7	Y357 Y367 V371 R397 A401 S407 Y413 L414	Y357-L411 HydrophobicContact CD2-CD2 4.48Å; Y357-L411 HydrophobicContact CE2-CD1 4.13Å; Y367-L411 HydrophobicContact CD1-CD2 3.29Å; Y367-L411 HydrophobicContact CE1-CD2 3.83Å; Y367-L411 HydrophobicContact CG-CD2 4.02Å; V371-L411 HydrophobicContact CG2-CD1 4.09Å; R397-L411 HydrophobicContact CB-CD2 4.5Å; R397-L411 WeakPolarHBondContact CB-O 3.4Å; A401-L411 HydrophobicContact CB-CB 3.82Å; A401-L411 HydrophobicContact CB-CD1 3.52Å; A401-L411 HydrophobicContact CB-CG 3.51Å; S407-L411 WeakPolarHBondContact O-CB 3.16Å; S407-L411 PolarHBondContact O-N 3.15Å; L411-Y413 PolarHBondContact O-N 2.92Å; L411-L414 PolarHBondContact O-N 3.18Å
412	P	98.4	Very high	97.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-65.8	-8.3	-178.1	-22.8	35.1	0	0	0	114.9	K356 Y357 Y367 R397 A408	K356-P412 HydrophobicContact CB-CB 4.05Å; K356-P412 HydrophobicContact CB-CG 4.35Å; K356-P412 HydrophobicContact CD-CB 3.79Å; K356-P412 HydrophobicContact CG-CB 3.77Å; K356-P412 HydrophobicContact CG-CG 4.49Å; Y357-P412 HydrophobicContact CD2-CG 4.31Å; Y367-P412 HydrophobicContact CD2-CB 3.98Å; Y367-P412 HydrophobicContact CD2-CG 4.07Å; Y367-P412 HydrophobicContact CE1-CB 4.45Å; Y367-P412 HydrophobicContact CE2-CB 3.79Å; Y367-P412 HydrophobicContact CE2-CG 4.38Å; Y367-P412 HydrophobicContact CG-CB 4.41Å; Y367-P412 HydrophobicContact CG-CG 4.17Å; R397-P412 PolarHBondContact NE-O 3.47Å; R397-P412 PolarHBondContact NH1-O 3.04Å; A408-P412 WeakPolarHBondContact O-CD 3.16Å
413	Y	98	Very high	97.4	Very high	37 Å²	37	38.9 Å²	38.9	15%	0.145	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-118	7.2	-175	-57.2	-77.4	0	0	0	113	K356 S409 E410 L411 K415 H446 R449	K356-Y413 HydrophobicContact CB-CE2 4.28Å; K356-Y413 WeakPolarHBondContact CB-OH 3.08Å; K356-Y413 HydrophobicContact CD-CD1 4.3Å; K356-Y413 HydrophobicContact CD-CE1 3.52Å; K356-Y413 HydrophobicContact CD-CE2 4.15Å; K356-Y413 VanDerWaalsContact CD-CZ 3.44Å; K356-Y413 WeakPolarHBondContact CD-OH 3.09Å; S409-Y413 WeakPolarHBondContact O-CD2 3.33Å; E410-Y413 CarbonylContact O-C 3.59Å; E410-Y413 PolarHBondContact O-N 2.92Å; L411-Y413 PolarHBondContact O-N 2.92Å; Y413-K415 PolarHBondContact O-N 3.3Å; Y413-H446 PolarHBondContact O-CE1 3.24Å; Y413-H446 VanDerWaalsContact O-CE1 3.29Å; Y413-R449 HydrophobicContact CD1-CB 3.76Å; Y413-R449 HydrophobicContact CD1-CG 4.49Å; Y413-R449 HydrophobicContact CE1-CB 3.54Å; Y413-R449 HydrophobicContact CE1-CG 3.89Å; Y413-R449 HydrophobicContact CE2-CB 4.42Å; Y413-R449 HydrophobicContact CE2-CG 4.19Å; Y413-R449 HydrophobicContact CG-CB 4.28Å
414	L	98.2	Very high	97.4	Very high	27 Å²	27	38.8 Å²	38.8	14%	0.141	21%	0.208	C	C	.	.			trans	-62.6	137	172.3	-64.8	172.1	0	0	0	110.6	R397 L400 A401 K406 E410 L411 C416	R397-L414 HydrophobicContact CB-CB 4.48Å; R397-L414 HydrophobicContact CG-CB 4.06Å; R397-L414 WeakPolarHBondContact CG-O 3.41Å; R397-L414 PolarHBondContact NE-O 3.19Å; L400-L414 HydrophobicContact CB-CD1 4.1Å; A401-L414 HydrophobicContact CB-CD1 3.86Å; K406-L414 HydrophobicContact CB-CD1 4.2Å; K406-L414 HydrophobicContact CD-CD2 4.39Å; K406-L414 HydrophobicContact CG-CD1 4.1Å; K406-L414 HydrophobicContact CG-CD2 3.95Å; E410-L414 PolarHBondContact O-N 3.48Å; L411-L414 PolarHBondContact O-N 3.18Å; L414-C416 PolarHBondContact O-N 2.74Å
415	K	97.3	Very high	97.3	Very high	142 Å²	142	38.1 Å²	38.1	62%	0.617	21%	0.206	S	C	*	.			trans	-80.1	115.7	179.9	-70.1	-173	177	-169.2	0	110	Y413 D448	Y413-K415 PolarHBondContact O-N 3.3Å; K415-D448 IonicContact NZ-OD1 3.92Å
416	C	97.7	Very high	96.9	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.014	19%	0.188	C	C	.	.			trans	-128.2	72.4	177.8	-55.6	0	0	0	0	108.7	R257 M396 L400 L414	R257-C416 WeakPolarHBondContact CD-O 3.34Å; R257-C416 PolarHBondContact NH1-O 2.93Å; M396-C416 HydrophobicContact CB-CB 4.32Å; M396-C416 HydrophobicContact CE-CB 4.42Å; M396-C416 HydrophobicContact CG-CB 4.11Å; M396-C416 HydrophobicContact SD-CB 3.91Å; L400-C416 WeakPolarHBondContact CD1-SG 3.36Å; L414-C416 PolarHBondContact O-N 2.74Å
417	P	97.9	Very high	96.1	Very high	60 Å²	60	34.5 Å²	34.5	39%	0.39	20%	0.195	S	C	.	.			trans	-64.1	154.2	-174.7	26	-32.9	0	0	0	111.7	T420	P417-T420 HydrophobicContact CG-CG2 4.24Å
418	L	98.6	Very high	94.8	Very high	10 Å²	10	33.1 Å²	33.1	5%	0.052	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	157.4	167.9	-77.5	169.8	0	0	0	110.3	R257 H258 E260 N264 T420 A442 V443 T445	R257-L418 HydrophobicContact CB-CD2 4.2Å; R257-L418 VanDerWaalsContact CZ-CD2 3.47Å; R257-L418 VanDerWaalsContact CZ-CG 3.49Å; H258-L418 WeakPolarHBondContact O-CD2 3.34Å; E260-L418 HydrophobicContact CB-CD1 4.11Å; E260-L418 HydrophobicContact CG-CD1 4.22Å; N264-L418 HydrophobicContact CB-CD1 4.43Å; L418-T420 PolarHBondContact O-N 3.44Å; L418-T420 PolarHBondContact O-OG1 3.08Å; L418-A442 HydrophobicContact CB-CB 3.52Å; L418-A442 HydrophobicContact CD1-CB 3.84Å; L418-A442 HydrophobicContact CG-CB 4.31Å; L418-V443 HydrophobicContact CD1-CG2 4.22Å; L418-T445 HydrophobicContact CD1-CG2 4.33Å
419	H	98.7	Very high	93.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	22.1	171.6	-57.8	175.7	0	0	0	116.2	E260 F282 F437 L438 I440 E441	E260-H419 PolarHBondContact N-NE2 3.46Å; F282-H419 HydrophobicContact CB-CB 4.42Å; F282-H419 WeakPolarHBondContact CB-CD2 3.35Å; F282-H419 WeakPolarHBondContact CB-NE2 3.35Å; F282-H419 AromaticContact CD1-CD2 3.66Å; F282-H419 HydrophobicContact CD2-CB 3.53Å; F282-H419 AromaticContact CD2-CD2 3.71Å; F282-H419 AromaticContact CD2-CG 3.69Å; F282-H419 VanDerWaalsContact CE2-C 3.45Å; F282-H419 HydrophobicContact CE2-CB 4.01Å; F282-H419 HydrophobicContact CG-CB 4.04Å; F282-H419 AromaticContact CG-CD2 3.24Å; F282-H419 WeakPolarHBondContact CG-CD2 3.5Å; F282-H419 AromaticContact CG-CG 3.66Å; F282-H419 AromaticContact CG-NE2 3.86Å; H419-F437 HydrophobicContact CB-CE2 4.21Å; H419-L438 PolarHBondContact O-N 3.08Å; H419-L438 VanDerWaalsContact O-N 3.12Å; H419-I440 WeakPolarHBondContact CB-O 3.48Å; H419-I440 WeakPolarHBondContact ND1-CG2 3.39Å; H419-I440 PolarHBondContact ND1-O 3.23Å; H419-E441 PolarHBondContact CE1-O 2.85Å; H419-E441 VanDerWaalsContact CE1-O 3.26Å; H419-E441 PolarHBondContact ND1-O 2.75Å; H419-E441 VanDerWaalsContact ND1-O 3.14Å
420	T	98.8	Very high	93.3	Very high	9 Å²	9	33.7 Å²	33.7	6%	0.055	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.3	-179.1	-56	0	0	0	0	109.5	S256 P417 L418 L422 S435 V436	S256-T420 PolarHBondContact OG-O 3.16Å; P417-T420 HydrophobicContact CG-CG2 4.24Å; L418-T420 PolarHBondContact O-N 3.44Å; L418-T420 PolarHBondContact O-OG1 3.08Å; T420-L422 HydrophobicContact CG2-CD2 4.21Å; T420-S435 WeakPolarHBondContact CG2-OG 3.26Å; T420-V436 WeakPolarHBondContact CA-O 3.44Å
421	V	98.7	Very high	93	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.6	173.4	-176.1	0	0	0	0	108.5	Y254 L286 Y289 V436 L438	Y254-V421 HydrophobicContact CD1-CG1 3.93Å; L286-V421 HydrophobicContact CD1-CG2 3.47Å; L286-V421 VanDerWaalsContact CD1-CG2 3.47Å; Y289-V421 HydrophobicContact CD1-CG2 4.32Å; Y289-V421 HydrophobicContact CE1-CB 4.3Å; Y289-V421 HydrophobicContact CE1-CG1 4.07Å; Y289-V421 HydrophobicContact CE1-CG2 4.34Å; V421-V436 PolarHBondContact N-O 2.98Å; V421-V436 PolarHBondContact O-N 3.5Å; V421-L438 HydrophobicContact CG2-CD1 4.08Å; V421-L438 HydrophobicContact CG2-CD2 4.42Å; V421-L438 HydrophobicContact CG2-CG 4.29Å
422	L	98.6	Very high	92.8	Very high	13 Å²	13	36.2 Å²	36.2	7%	0.068	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111.9	169.9	-59.1	-172.4	0	0	0	109	Y254 L255 M396 L400 T420 V433 E434	Y254-L422 WeakPolarHBondContact CA-O 3.18Å; L255-L422 HydrophobicContact CB-CB 4.49Å; L255-L422 PolarHBondContact N-O 3.32Å; L255-L422 PolarHBondContact O-N 3.05Å; M396-L422 HydrophobicContact CE-CB 4.09Å; M396-L422 HydrophobicContact CE-CD1 3.46Å; M396-L422 VanDerWaalsContact CE-CD1 3.46Å; M396-L422 HydrophobicContact CE-CG 3.58Å; L400-L422 HydrophobicContact CD1-CD1 3.53Å; L400-L422 HydrophobicContact CD2-CD1 3.74Å; L400-L422 HydrophobicContact CG-CD1 4.23Å; T420-L422 HydrophobicContact CG2-CD2 4.21Å; L422-V433 HydrophobicContact CB-CG1 4.4Å; L422-V433 HydrophobicContact CD2-CG1 4.39Å; L422-E434 CarbonylContact C-O 3.58Å; L422-E434 WeakPolarHBondContact CA-O 3.37Å
423	K	98.3	Very high	92.8	Very high	41 Å²	41	39 Å²	39	18%	0.178	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	118.6	172	179.5	-175.3	-179.7	-177.7	0	109	S252 Y254 V433 E434	S252-K423 WeakPolarHBondContact OG-CE 3.22Å; Y254-K423 HydrophobicContact CD1-CB 4.07Å; Y254-K423 HydrophobicContact CD1-CG 4.19Å; Y254-K423 HydrophobicContact CE1-CB 3.99Å; Y254-K423 HydrophobicContact CE1-CD 3.88Å; Y254-K423 HydrophobicContact CE1-CG 3.74Å; K423-V433 WeakPolarHBondContact O-CA 3.36Å; K423-E434 HydrophobicContact CB-CB 4.28Å; K423-E434 PolarHBondContact N-O 3.38Å; K423-E434 PolarHBondContact O-N 2.7Å
424	L	97.4	Very high	92.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	120.9	178.5	-59.2	-174.7	0	0	0	109	S252 I253 L255 L400 F403 C431 K432 V433	S252-L424 WeakPolarHBondContact CA-O 3.49Å; I253-L424 HydrophobicContact CB-CB 4.14Å; I253-L424 HydrophobicContact CG2-CD1 4.43Å; I253-L424 PolarHBondContact N-O 3.42Å; I253-L424 WeakPolarHBondContact O-CA 3.46Å; I253-L424 WeakPolarHBondContact O-CB 3.43Å; I253-L424 PolarHBondContact O-N 3.38Å; L255-L424 HydrophobicContact CD1-CD1 3.63Å; L255-L424 HydrophobicContact CG-CD1 3.96Å; L400-L424 HydrophobicContact CD2-CD1 4.22Å; L400-L424 HydrophobicContact CD2-CD2 4.01Å; F403-L424 HydrophobicContact CB-CD1 3.93Å; F403-L424 HydrophobicContact CD2-CD1 3.55Å; F403-L424 HydrophobicContact CE2-CD1 4.3Å; F403-L424 HydrophobicContact CG-CD1 3.8Å; L424-C431 VanDerWaalsContact CB-SG 3.6Å; L424-K432 CarbonylContact C-O 3.59Å; L424-K432 WeakPolarHBondContact CA-O 3.11Å; L424-V433 HydrophobicContact CD2-CB 4.27Å; L424-V433 HydrophobicContact CD2-CG1 4.01Å; L424-V433 HydrophobicContact CD2-CG2 3.7Å
425	T	93.8	Very high	92.7	Very high	38 Å²	38	43.3 Å²	43.3	23%	0.233	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	101.9	172.6	-51.6	0	0	0	0	108.5	V427 K432	T425-V427 PolarHBondContact O-N 2.68Å; T425-K432 PolarHBondContact N-O 2.97Å; T425-K432 PolarHBondContact O-N 3.05Å
426	P	86.4	Confident	92.8	Very high	28 Å²	28	38.6 Å²	38.6	18%	0.182	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	130.6	175.8	-24.1	34.9	0	0	0	110.7	R251	R251-P426 HydrophobicContact CG-CG 4.47Å; R251-P426 WeakPolarHBondContact O-CD 3.47Å
427	V	81.9	Confident	92.8	Very high	79 Å²	79	43.6 Å²	43.6	48%	0.479	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	167.5	176.5	-66.4	0	0	0	0	109.4	T425 Y429 G430	T425-V427 PolarHBondContact O-N 2.68Å; V427-Y429 PolarHBondContact O-N 2.7Å; V427-G430 PolarHBondContact N-O 3.23Å; V427-G430 PolarHBondContact O-N 2.99Å; V427-G430 VanDerWaalsContact O-N 3.09Å
428	A	68.9	Low	92.8	Very high	19 Å²	19	41.8 Å²	41.8	16%	0.157	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-28.8	-169.4	0	0	0	0	0	116	Y55 V173	Y55-A428 WeakPolarHBondContact CD2-O 3.31Å; V173-A428 HydrophobicContact CG2-CB 3.46Å; V173-A428 VanDerWaalsContact CG2-CB 3.46Å
429	Y	73.6	Confident	92.8	Very high	97 Å²	97	47.8 Å²	47.8	38%	0.38	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	14.1	-178.5	-58	-51.1	0	0	0	114.5	T54 K58 V173 V427	T54-Y429 HydrophobicContact CG2-CD1 4.46Å; T54-Y429 HydrophobicContact CG2-CE1 3.71Å; K58-Y429 HydrophobicContact CD-CD1 3.8Å; K58-Y429 HydrophobicContact CD-CG 4.45Å; V173-Y429 HydrophobicContact CG1-CE1 3.92Å; V173-Y429 HydrophobicContact CG1-CE2 3.79Å; V173-Y429 WeakPolarHBondContact CG1-OH 3.43Å; V427-Y429 PolarHBondContact O-N 2.7Å
430	G	83.9	Confident	92.7	Very high	23 Å²	23	49.5 Å²	49.5	24%	0.237	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.6	-145.8	-175.9	0	0	0	0	0	112.8	V427	V427-G430 PolarHBondContact N-O 3.23Å; V427-G430 PolarHBondContact O-N 2.99Å; V427-G430 VanDerWaalsContact O-N 3.09Å
431	C	90.9	Very high	92.7	Very high	22 Å²	22	55.9 Å²	55.9	15%	0.149	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	129.1	179.2	-165.6	0	0	0	0	109.6	F403 L404 L424	F403-C431 HydrophobicContact CB-CB 4.35Å; F403-C431 VanDerWaalsContact O-CB 3.32Å; F403-C431 WeakPolarHBondContact O-CB 3.24Å; L404-C431 HydrophobicContact CD2-CB 4.13Å; L424-C431 VanDerWaalsContact CB-SG 3.6Å
432	K	93.7	Very high	92.6	Very high	114 Å²	114	57.5 Å²	57.5	50%	0.496	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	135.2	170.1	-175	-171.1	177.9	-154.1	0	108.5	L424 T425 E434	L424-K432 CarbonylContact C-O 3.59Å; L424-K432 WeakPolarHBondContact CA-O 3.11Å; T425-K432 PolarHBondContact N-O 2.97Å; T425-K432 PolarHBondContact O-N 3.05Å; K432-E434 WeakPolarHBondContact CE-OE1 3.29Å; K432-E434 VanDerWaalsContact NZ-CD 3.35Å; K432-E434 IonicContact NZ-OE1 3.3Å; K432-E434 PolarHBondContact NZ-OE1 3.28Å; K432-E434 IonicContact NZ-OE2 3.19Å
433	V	96.8	Very high	92.5	Very high	59 Å²	59	57.8 Å²	57.8	36%	0.358	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128	176.8	-170.2	0	0	0	0	109.5	L404 L422 K423 L424	L404-V433 HydrophobicContact CD1-CG2 4Å; L404-V433 HydrophobicContact CD2-CG2 3.22Å; L404-V433 HydrophobicContact CG-CG2 4.21Å; L422-V433 HydrophobicContact CB-CG1 4.4Å; L422-V433 HydrophobicContact CD2-CG1 4.39Å; K423-V433 WeakPolarHBondContact O-CA 3.36Å; L424-V433 HydrophobicContact CD2-CB 4.27Å; L424-V433 HydrophobicContact CD2-CG1 4.01Å; L424-V433 HydrophobicContact CD2-CG2 3.7Å
434	E	97.8	Very high	92.4	Very high	71 Å²	71	60.5 Å²	60.5	33%	0.332	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125	170.7	-63.3	173.2	-129.1	0	0	107.9	L422 K423 K432	L422-E434 CarbonylContact C-O 3.58Å; L422-E434 WeakPolarHBondContact CA-O 3.37Å; K423-E434 HydrophobicContact CB-CB 4.28Å; K423-E434 PolarHBondContact N-O 3.38Å; K423-E434 PolarHBondContact O-N 2.7Å; K432-E434 WeakPolarHBondContact CE-OE1 3.29Å; K432-E434 VanDerWaalsContact NZ-CD 3.35Å; K432-E434 IonicContact NZ-OE1 3.3Å; K432-E434 PolarHBondContact NZ-OE1 3.28Å; K432-E434 IonicContact NZ-OE2 3.19Å
435	S	98	Very high	92.4	Very high	83 Å²	83	61.7 Å²	61.7	58%	0.58	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.9	-180	-175.7	0	0	0	0	109.8	T420	T420-S435 WeakPolarHBondContact CG2-OG 3.26Å
436	V	98.4	Very high	92.5	Very high	42 Å²	42	60.7 Å²	60.7	26%	0.255	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	102.5	-178.4	-170	0	0	0	0	109.1	Y289 T420 V421 L438	Y289-V436 HydrophobicContact CD2-CG1 4.38Å; Y289-V436 HydrophobicContact CE2-CB 4.47Å; Y289-V436 HydrophobicContact CE2-CG1 3.82Å; T420-V436 WeakPolarHBondContact CA-O 3.44Å; V421-V436 PolarHBondContact N-O 2.98Å; V421-V436 PolarHBondContact O-N 3.5Å; V436-L438 HydrophobicContact CG1-CD2 3.93Å
437	F	98.4	Very high	92.9	Very high	107 Å²	107	59.5 Å²	59.5	47%	0.469	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.9	171.7	175.1	-122.7	0	0	0	109.7	H419 N439 I440	H419-F437 HydrophobicContact CB-CE2 4.21Å; F437-N439 PolarHBondContact O-N 2.77Å; F437-I440 VanDerWaalsContact CE2-O 3.27Å; F437-I440 WeakPolarHBondContact CE2-O 3.35Å; F437-I440 WeakPolarHBondContact CZ-O 3.22Å
438	L	97.9	Very high	93.5	Very high	23 Å²	23	59.4 Å²	59.4	12%	0.12	32%	0.318	C	S	.	.			trans	-86.8	19.8	-173.6	-57.3	-168.3	0	0	0	114.1	F282 A285 L286 Y289 H419 V421 V436 I440	F282-L438 HydrophobicContact CD2-CB 4.26Å; F282-L438 HydrophobicContact CD2-CD1 4.03Å; F282-L438 HydrophobicContact CD2-CG 4.46Å; F282-L438 HydrophobicContact CE2-CB 4.3Å; F282-L438 HydrophobicContact CE2-CD1 3.54Å; F282-L438 HydrophobicContact CE2-CG 4.02Å; F282-L438 HydrophobicContact CZ-CD1 4.43Å; A285-L438 HydrophobicContact CB-CB 4.24Å; A285-L438 HydrophobicContact CB-CD1 4.32Å; L286-L438 VanDerWaalsContact CA-CD1 3.47Å; L286-L438 HydrophobicContact CB-CD1 3.93Å; L286-L438 HydrophobicContact CD1-CD1 4.13Å; Y289-L438 HydrophobicContact CD1-CD2 4.42Å; Y289-L438 HydrophobicContact CD2-CD2 4.09Å; Y289-L438 HydrophobicContact CG-CD2 3.92Å; H419-L438 PolarHBondContact O-N 3.08Å; H419-L438 VanDerWaalsContact O-N 3.12Å; V421-L438 HydrophobicContact CG2-CD1 4.08Å; V421-L438 HydrophobicContact CG2-CD2 4.42Å; V421-L438 HydrophobicContact CG2-CG 4.29Å; V436-L438 HydrophobicContact CG1-CD2 3.93Å; L438-I440 VanDerWaalsContact C-N 3.29Å; L438-I440 PolarHBondContact O-N 3.04Å
439	N	97.2	Very high	94.6	Very high	135 Å²	135	65.7 Å²	65.7	72%	0.722	34%	0.338	S	S	*	.	S	Bend	trans	58.4	35.3	175.6	-161.5	41.3	0	0	0	114.6	F437	F437-N439 PolarHBondContact O-N 2.77Å
440	I	98.3	Very high	95.5	Very high	36 Å²	36	61.4 Å²	61.4	19%	0.185	32%	0.322	C	S	.	.			trans	-122.1	117.9	171.1	-53.4	-63.2	0	0	0	107.5	R278 K281 F282 A285 H419 F437 L438	R278-I440 HydrophobicContact CB-CG2 4.23Å; K281-I440 HydrophobicContact CB-CD1 4.12Å; K281-I440 HydrophobicContact CB-CG2 4.21Å; F282-I440 HydrophobicContact CB-CB 4.43Å; F282-I440 HydrophobicContact CB-CG2 4.41Å; A285-I440 HydrophobicContact CB-CG1 4.38Å; H419-I440 WeakPolarHBondContact CB-O 3.48Å; H419-I440 WeakPolarHBondContact ND1-CG2 3.39Å; H419-I440 PolarHBondContact ND1-O 3.23Å; F437-I440 VanDerWaalsContact CE2-O 3.27Å; F437-I440 WeakPolarHBondContact CE2-O 3.35Å; F437-I440 WeakPolarHBondContact CZ-O 3.22Å; L438-I440 VanDerWaalsContact C-N 3.29Å; L438-I440 PolarHBondContact O-N 3.04Å
441	E	97.3	Very high	95.7	Very high	144 Å²	144	70 Å²	70	67%	0.673	36%	0.356	S	S	*	.			trans	-59.3	152.1	177.3	-65.5	-179.1	174.6	0	0	112.3	R278 H419	R278-E441 WeakPolarHBondContact CD-O 3.12Å; H419-E441 PolarHBondContact CE1-O 2.85Å; H419-E441 VanDerWaalsContact CE1-O 3.26Å; H419-E441 PolarHBondContact ND1-O 2.75Å; H419-E441 VanDerWaalsContact ND1-O 3.14Å
442	A	97.4	Very high	95.6	Very high	33 Å²	33	71 Å²	71	27%	0.273	36%	0.36	S	S	.	.			trans	-151.9	158.7	173.2	0	0	0	0	0	109.5	E260 L418	E260-A442 HydrophobicContact CB-CB 4.39Å; E260-A442 VanDerWaalsContact OE1-CA 3.29Å; E260-A442 WeakPolarHBondContact OE1-CA 3.19Å; L418-A442 HydrophobicContact CB-CB 3.52Å; L418-A442 HydrophobicContact CD1-CB 3.84Å; L418-A442 HydrophobicContact CG-CB 4.31Å
443	V	97	Very high	95.3	Very high	19 Å²	19	67.2 Å²	67.2	12%	0.115	35%	0.346	C	S	.	.			trans	-60.4	152.5	167.7	-62.9	0	0	0	0	111.5	E260 N264 L265 L418 T445	E260-V443 HydrophobicContact CG-CG2 4.41Å; E260-V443 PolarHBondContact OE1-N 3.44Å; N264-V443 HydrophobicContact CB-CG2 3.85Å; N264-V443 WeakPolarHBondContact O-CG2 3.33Å; L265-V443 HydrophobicContact CD2-CG1 4.04Å; L418-V443 HydrophobicContact CD1-CG2 4.22Å; V443-T445 HydrophobicContact CG2-CG2 4.21Å
444	N	96.3	Very high	94.7	Very high	99 Å²	99	69.8 Å²	69.8	53%	0.529	36%	0.355	S	S	.	.			trans	-85.5	127.9	171.1	-177.2	19.3	0	0	0	109.8	H446 P467	N444-H446 VanDerWaalsContact OD1-CB 3.25Å; N444-H446 WeakPolarHBondContact OD1-CB 3.31Å; N444-H446 PolarHBondContact OD1-N 2.92Å; N444-P467 HydrophobicContact CB-CB 4.36Å; N444-P467 WeakPolarHBondContact O-CB 3.33Å
445	T	96.1	Very high	93.7	Very high	25 Å²	25	69.9 Å²	69.9	15%	0.153	36%	0.36	C	S	.	.			trans	-112.6	8.8	176	62.8	0	0	0	0	112.4	R257 N264 Q393 L418 V443 R447	R257-T445 PolarHBondContact NH1-OG1 3.5Å; R257-T445 PolarHBondContact NH2-OG1 3.48Å; N264-T445 HydrophobicContact CB-CG2 4.43Å; Q393-T445 PolarHBondContact NE2-O 3.3Å; Q393-T445 PolarHBondContact OE1-O 2.7Å; Q393-T445 PolarHBondContact OE1-OG1 3.04Å; L418-T445 HydrophobicContact CD1-CG2 4.33Å; V443-T445 HydrophobicContact CG2-CG2 4.21Å; T445-R447 PolarHBondContact O-N 3.38Å
446	H	96.5	Very high	92.9	Very high	17 Å²	17	72.7 Å²	72.7	8%	0.079	37%	0.368	C	S	.	.			trans	-89.2	104.5	-178	-173.1	87	0	0	0	111.3	R397 Y413 N444 D448 P467	R397-H446 PolarHBondContact NH2-CE1 3.26Å; R397-H446 PolarHBondContact NH2-ND1 3.42Å; R397-H446 VanDerWaalsContact NH2-ND1 3.1Å; Y413-H446 PolarHBondContact O-CE1 3.24Å; Y413-H446 VanDerWaalsContact O-CE1 3.29Å; N444-H446 VanDerWaalsContact OD1-CB 3.25Å; N444-H446 WeakPolarHBondContact OD1-CB 3.31Å; N444-H446 PolarHBondContact OD1-N 2.92Å; H446-D448 IonicContact CD2-OD1 2.73Å; H446-D448 PolarHBondContact CD2-OD1 3.39Å; H446-D448 VanDerWaalsContact CD2-OD1 3.3Å; H446-D448 IonicContact NE2-OD1 2.75Å; H446-D448 PolarHBondContact NE2-OD1 3.37Å; H446-P467 VanDerWaalsContact O-CG 3.26Å; H446-P467 WeakPolarHBondContact O-CG 3.44Å
447	R	94.7	Very high	92.4	Very high	2 Å²	2	71.8 Å²	71.8	1%	0.008	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-84	117.9	165.8	177.3	162.3	-169.7	-77.6	14	110.9	D353 T445 A462 T465	D353-R447 IonicContact OD1-CZ 3.6Å; D353-R447 IonicContact OD1-NH1 3.69Å; D353-R447 PolarHBondContact OD1-NH1 2.75Å; D353-R447 IonicContact OD1-NH2 3.99Å; D353-R447 IonicContact OD2-CZ 2.75Å; D353-R447 IonicContact OD2-NH1 2.69Å; D353-R447 PolarHBondContact OD2-NH1 3.41Å; D353-R447 IonicContact OD2-NH2 3.37Å; D353-R447 PolarHBondContact OD2-NH2 3.05Å; T445-R447 PolarHBondContact O-N 3.38Å; R447-A462 PolarHBondContact NH2-O 3.13Å; R447-T465 WeakPolarHBondContact CA-O 3.47Å; R447-T465 WeakPolarHBondContact CG-O 3.35Å; R447-T465 PolarHBondContact NE-OG1 3.18Å; R447-T465 PolarHBondContact NH1-OG1 2.83Å; R447-T465 PolarHBondContact NH2-OG1 2.86Å
448	D	94.3	Very high	91.7	Very high	78 Å²	78	71 Å²	71	42%	0.417	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-64.1	168.1	176.6	-77.2	-47	0	0	0	111.2	K415 H446 P450 T465	K415-D448 IonicContact NZ-OD1 3.92Å; H446-D448 IonicContact CD2-OD1 2.73Å; H446-D448 PolarHBondContact CD2-OD1 3.39Å; H446-D448 VanDerWaalsContact CD2-OD1 3.3Å; H446-D448 IonicContact NE2-OD1 2.75Å; H446-D448 PolarHBondContact NE2-OD1 3.37Å; D448-P450 WeakPolarHBondContact O-CD 3.43Å; D448-T465 HydrophobicContact CB-CG2 4.31Å
449	R	93.1	Very high	91	Very high	150 Å²	150	73.6 Å²	73.6	57%	0.566	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-75.4	119.4	175.5	-175.5	173.7	-176.8	179.1	0.4	108.9	Y413	Y413-R449 HydrophobicContact CD1-CB 3.76Å; Y413-R449 HydrophobicContact CD1-CG 4.49Å; Y413-R449 HydrophobicContact CE1-CB 3.54Å; Y413-R449 HydrophobicContact CE1-CG 3.89Å; Y413-R449 HydrophobicContact CE2-CB 4.42Å; Y413-R449 HydrophobicContact CE2-CG 4.19Å; Y413-R449 HydrophobicContact CG-CB 4.28Å
450	P	91.8	Very high	90.3	Very high	8 Å²	8	74.7 Å²	74.7	5%	0.052	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-68.1	148	177.4	27.2	-32.7	0	0	0	111.2	D353 D448 V453 T465	D353-P450 HydrophobicContact CB-CG 3.82Å; D353-P450 WeakPolarHBondContact OD2-CG 3.26Å; D448-P450 WeakPolarHBondContact O-CD 3.43Å; P450-V453 HydrophobicContact CG-CG1 3.99Å; P450-T465 HydrophobicContact CB-CG2 4.05Å
451	E	88.8	Confident	89.7	Confident	202 Å²	202	76.3 Å²	76.3	94%	0.944	39%	0.387	S	S	*	.	S	Bend	trans	-76.4	-48.9	178.2	-62.7	-168.1	167.1	0	0	111.1
452	N	87.6	Confident	89.2	Confident	45 Å²	45	69.6 Å²	69.6	24%	0.241	36%	0.356	C	S	.	.			trans	-92.2	126.2	172.2	-173.6	-4.6	0	0	0	110.2	E454 R457 E461	N452-E454 WeakPolarHBondContact OD1-CB 3.38Å; N452-E454 PolarHBondContact OD1-N 3.28Å; N452-R457 VanDerWaalsContact ND2-CB 3.35Å; N452-R457 WeakPolarHBondContact ND2-CB 3.27Å; N452-R457 WeakPolarHBondContact O-CD 3.38Å; N452-R457 PolarHBondContact O-NH1 3.18Å; N452-E461 HydrophobicContact CB-CG 4.45Å; N452-E461 WeakPolarHBondContact CB-OE1 3.46Å; N452-E461 PolarHBondContact ND2-OE1 3.49Å; N452-E461 PolarHBondContact ND2-OE2 3Å
453	V	87.4	Confident	88.8	Confident	34 Å²	34	70.1 Å²	70.1	21%	0.206	35%	0.354	C	S	.	.			trans	-122.3	9	-179.3	-61.3	0	0	0	0	112.7	D353 Q354 P450	D353-V453 HydrophobicContact CB-CB 4.26Å; D353-V453 HydrophobicContact CB-CG1 3.98Å; Q354-V453 HydrophobicContact CB-CG2 4.46Å; Q354-V453 HydrophobicContact CG-CB 3.81Å; Q354-V453 HydrophobicContact CG-CG2 3.76Å; Q354-V453 WeakPolarHBondContact CG-O 3.43Å; Q354-V453 PolarHBondContact NE2-O 3Å; P450-V453 HydrophobicContact CG-CG1 3.99Å
454	E	83.9	Confident	88.4	Confident	113 Å²	113	76.5 Å²	76.5	53%	0.528	38%	0.382	S	S	.	.			trans	-65.3	152.2	-178.7	-64.9	-61.8	155.2	0	0	111.5	N452 D456 R457	N452-E454 WeakPolarHBondContact OD1-CB 3.38Å; N452-E454 PolarHBondContact OD1-N 3.28Å; E454-D456 VanDerWaalsContact C-N 3.29Å; E454-D456 VanDerWaalsContact CB-OD1 3.29Å; E454-D456 WeakPolarHBondContact CB-OD1 3.32Å; E454-R457 WeakPolarHBondContact O-CD 3.4Å; E454-R457 VanDerWaalsContact O-CG 3.25Å; E454-R457 WeakPolarHBondContact O-CG 3.38Å; E454-R457 PolarHBondContact O-NE 2.93Å
455	V	78	Confident	88	Confident	72 Å²	72	73.1 Å²	73.1	44%	0.436	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-26.5	-177.9	-174.4	0	0	0	0	111.6	E347 A350 Q354	E347-V455 HydrophobicContact CG-CG1 4.2Å; A350-V455 HydrophobicContact CB-CB 4.19Å; A350-V455 HydrophobicContact CB-CG1 4.3Å; A350-V455 HydrophobicContact CB-CG2 3.99Å; Q354-V455 VanDerWaalsContact NE2-CG2 3.33Å
456	D	81.3	Confident	87.7	Confident	143 Å²	143	72.9 Å²	72.9	77%	0.765	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	6.2	-179.4	63.8	-20.6	0	0	0	113.7	E454	E454-D456 VanDerWaalsContact C-N 3.29Å; E454-D456 VanDerWaalsContact CB-OD1 3.29Å; E454-D456 WeakPolarHBondContact CB-OD1 3.32Å
457	R	86.1	Confident	87.2	Confident	22 Å²	22	73 Å²	73	8%	0.083	37%	0.367	C	S	.	.	S	Bend	trans	-62.1	151.8	173.8	77	-172.1	163.3	165.2	3.8	111.1	D353 N452 E454 A462	D353-R457 IonicContact OD2-CZ 2.7Å; D353-R457 IonicContact OD2-NH1 3.42Å; D353-R457 PolarHBondContact OD2-NH1 3.39Å; D353-R457 IonicContact OD2-NH2 3.53Å; D353-R457 PolarHBondContact OD2-NH2 3.37Å; N452-R457 VanDerWaalsContact ND2-CB 3.35Å; N452-R457 WeakPolarHBondContact ND2-CB 3.27Å; N452-R457 WeakPolarHBondContact O-CD 3.38Å; N452-R457 PolarHBondContact O-NH1 3.18Å; E454-R457 WeakPolarHBondContact O-CD 3.4Å; E454-R457 VanDerWaalsContact O-CG 3.25Å; E454-R457 WeakPolarHBondContact O-CG 3.38Å; E454-R457 PolarHBondContact O-NE 2.93Å; R457-A462 HydrophobicContact CG-CB 4.15Å; R457-A462 VanDerWaalsContact CZ-CB 3.5Å
458	D	84.4	Confident	86.5	Confident	90 Å²	90	82 Å²	82	48%	0.481	41%	0.408	S	S	.	.			trans	-62.2	143.7	-178.7	-169.3	-82.6	0	0	0	111.1	E460 E461 A462	D458-E460 VanDerWaalsContact C-N 3.25Å; D458-E460 PolarHBondContact O-N 2.88Å; D458-E460 WeakPolarHBondContact OD1-CB 3.25Å; D458-E460 PolarHBondContact OD1-N 2.81Å; D458-E461 HydrophobicContact CB-CB 4.33Å; D458-E461 WeakPolarHBondContact O-CB 3.29Å; D458-E461 PolarHBondContact O-N 2.66Å; D458-E461 VanDerWaalsContact O-N 3.16Å; D458-A462 PolarHBondContact O-N 2.9Å; D458-A462 VanDerWaalsContact O-N 3.12Å
459	P	82.6	Confident	85.5	Confident	78 Å²	78	81.7 Å²	81.7	51%	0.506	41%	0.405	S	S	.	.	H	α-helix	trans	-55.7	-36.9	177.6	-28.6	36.3	0	0	0	114.6	Q342 A462 L463	Q342-P459 VanDerWaalsContact NE2-C 3.3Å; Q342-P459 PolarHBondContact NE2-O 2.97Å; P459-A462 PolarHBondContact O-N 3.29Å; P459-L463 PolarHBondContact O-N 3.39Å
460	E	84.4	Confident	83.7	Confident	159 Å²	159	83.9 Å²	83.9	74%	0.743	43%	0.425	S	S	*	.	H	α-helix	trans	-64.4	-43.3	178.3	-64.4	-177.8	176.7	0	0	110.8	D458 A462 L463 E464	D458-E460 VanDerWaalsContact C-N 3.25Å; D458-E460 PolarHBondContact O-N 2.88Å; D458-E460 WeakPolarHBondContact OD1-CB 3.25Å; D458-E460 PolarHBondContact OD1-N 2.81Å; E460-A462 VanDerWaalsContact C-N 3.32Å; E460-A462 PolarHBondContact O-N 3.41Å; E460-L463 PolarHBondContact O-N 3.34Å; E460-L463 VanDerWaalsContact O-N 3.13Å; E460-E464 PolarHBondContact O-N 3.38Å
461	E	85.7	Confident	83.3	Confident	69 Å²	69	87.7 Å²	87.7	32%	0.322	44%	0.444	S	S	.	.	H	α-helix	trans	-62	-38.1	178.4	-170.6	-178.9	-178.2	0	0	112.1	N452 D458 L463 E464	N452-E461 HydrophobicContact CB-CG 4.45Å; N452-E461 WeakPolarHBondContact CB-OE1 3.46Å; N452-E461 PolarHBondContact ND2-OE1 3.49Å; N452-E461 PolarHBondContact ND2-OE2 3Å; D458-E461 HydrophobicContact CB-CB 4.33Å; D458-E461 WeakPolarHBondContact O-CB 3.29Å; D458-E461 PolarHBondContact O-N 2.66Å; D458-E461 VanDerWaalsContact O-N 3.16Å; E461-L463 PolarHBondContact O-N 3.37Å; E461-E464 PolarHBondContact O-N 3.12Å
462	A	85.2	Confident	83	Confident	3 Å²	3	81.6 Å²	81.6	3%	0.025	42%	0.418	C	S	.	.	H	α-helix	trans	-67.6	-25.2	178.6	0	0	0	0	0	113.2	F349 R447 R457 D458 P459 E460	F349-A462 HydrophobicContact CD1-CB 4.33Å; F349-A462 HydrophobicContact CE1-CB 3.94Å; F349-A462 WeakPolarHBondContact CE1-O 2.98Å; R447-A462 PolarHBondContact NH2-O 3.13Å; R457-A462 HydrophobicContact CG-CB 4.15Å; R457-A462 VanDerWaalsContact CZ-CB 3.5Å; D458-A462 PolarHBondContact O-N 2.9Å; D458-A462 VanDerWaalsContact O-N 3.12Å; P459-A462 PolarHBondContact O-N 3.29Å; E460-A462 VanDerWaalsContact C-N 3.32Å; E460-A462 PolarHBondContact O-N 3.41Å
463	L	89.2	Confident	82.8	Confident	44 Å²	44	83.7 Å²	83.7	23%	0.23	43%	0.427	C	S	.	.	H	α-helix	trans	-93.3	-9.4	179.3	-66.9	177.7	0	0	0	114.4	E339 Q342 F349 P459 E460 E461 T465 V466	E339-L463 HydrophobicContact CG-CD1 3.98Å; E339-L463 HydrophobicContact CG-CD2 4.25Å; Q342-L463 HydrophobicContact CB-CD2 4.4Å; F349-L463 HydrophobicContact CZ-CD2 4.1Å; P459-L463 PolarHBondContact O-N 3.39Å; E460-L463 PolarHBondContact O-N 3.34Å; E460-L463 VanDerWaalsContact O-N 3.13Å; E461-L463 PolarHBondContact O-N 3.37Å; L463-T465 PolarHBondContact O-N 3.16Å; L463-V466 HydrophobicContact CB-CG2 4.37Å; L463-V466 HydrophobicContact CD2-CG2 3.67Å; L463-V466 VanDerWaalsContact O-CB 3.31Å; L463-V466 WeakPolarHBondContact O-CB 3.44Å; L463-V466 PolarHBondContact O-N 3.27Å
464	E	89.1	Confident	82.5	Confident	153 Å²	153	86.6 Å²	86.6	72%	0.715	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-28.5	-177	-73.7	-178.1	176	0	0	114.7	E460 E461	E460-E464 PolarHBondContact O-N 3.38Å; E461-E464 PolarHBondContact O-N 3.12Å
465	T	88.6	Confident	82.4	Confident	28 Å²	28	84.9 Å²	84.9	17%	0.172	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-8.7	-179.8	54.6	0	0	0	0	113.9	R447 D448 P450 L463	R447-T465 WeakPolarHBondContact CA-O 3.47Å; R447-T465 WeakPolarHBondContact CG-O 3.35Å; R447-T465 PolarHBondContact NE-OG1 3.18Å; R447-T465 PolarHBondContact NH1-OG1 2.83Å; R447-T465 PolarHBondContact NH2-OG1 2.86Å; D448-T465 HydrophobicContact CB-CG2 4.31Å; P450-T465 HydrophobicContact CB-CG2 4.05Å; L463-T465 PolarHBondContact O-N 3.16Å
466	V	88.9	Confident	82.7	Confident	20 Å²	20	85.8 Å²	85.8	12%	0.121	44%	0.435	C	S	.	.	S	Bend	trans	-70.8	128.5	178.8	-179.4	0	0	0	0	109	Y338 E339 F349 L463	Y338-V466 HydrophobicContact CD2-CG1 3.97Å; Y338-V466 HydrophobicContact CD2-CG2 4.48Å; Y338-V466 HydrophobicContact CG-CG1 4.37Å; Y338-V466 HydrophobicContact CG-CG2 4.31Å; E339-V466 WeakPolarHBondContact OE1-CG1 3.41Å; F349-V466 HydrophobicContact CZ-CG2 4.46Å; L463-V466 HydrophobicContact CB-CG2 4.37Å; L463-V466 HydrophobicContact CD2-CG2 3.67Å; L463-V466 VanDerWaalsContact O-CB 3.31Å; L463-V466 WeakPolarHBondContact O-CB 3.44Å; L463-V466 PolarHBondContact O-N 3.27Å
467	P	86	Confident	82.8	Confident	21 Å²	21	81.7 Å²	81.7	14%	0.136	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-62.4	139.6	175.4	-23.7	34.7	0	0	0	112.2	N444 H446 H469	N444-P467 HydrophobicContact CB-CB 4.36Å; N444-P467 WeakPolarHBondContact O-CB 3.33Å; H446-P467 VanDerWaalsContact O-CG 3.26Å; H446-P467 WeakPolarHBondContact O-CG 3.44Å; P467-H469 PolarHBondContact O-N 2.73Å
468	E	81	Confident	82.5	Confident	189 Å²	189	86.3 Å²	86.3	88%	0.883	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-58.4	132.1	166.8	-65.6	-177	173.8	0	0	110.1
469	H	73.4	Confident	82.4	Confident	73 Å²	73	86 Å²	86	34%	0.338	43%	0.433	S	S	.	.			trans	-119.6	149.9	170.7	54.4	-79.3	0	0	0	108.9	E339 P467	E339-H469 IonicContact OE1-CE1 3.05Å; E339-H469 PolarHBondContact OE1-CE1 2.8Å; E339-H469 IonicContact OE1-ND1 3.37Å; E339-H469 IonicContact OE2-CE1 3.71Å; E339-H469 PolarHBondContact OE2-CE1 3.05Å; P467-H469 PolarHBondContact O-N 2.73Å
470	I	54.6	Low	82.4	Confident	195 Å²	195	86.7 Å²	86.7	100%	1	43%	0.426	S	S	*	.			trans	-84.7	0	-168.1	-61.9	175.2	0	0	0	111.2

Retrieved 470 of 470 residues in 788.3 ms (Link to these results)

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