A0A087YMQ1_POEFO Loading...

Arginyl-tRNA--protein transferase 1

Involved in the post-translational conjugation of arginine to the N-terminal aspartate or glutamate of a protein. This arginylation is required for degradation of the protein via the ubiquitin pathway.

AlphaFold DB , UniProt , Accession A0A087YMQ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 511 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	V	39.9	Very low	59.3	Low	147 Å²	147	103 Å²	103	89%	0.891	59%	0.587	S	S	*	*				0	116.5	0	173.4	0	0	0	0	107.1	M3	V1-M3 HydrophobicContact CG1-CE 4.41Å; V1-M3 HydrophobicContact CG1-CG 4.22Å; V1-M3 HydrophobicContact CG1-SD 4.41Å
2	K	28.8	Very low	62.5	Low	201 Å²	201	94.4 Å²	94.4	87%	0.874	54%	0.538	S	S	*	.			trans	-96.5	106.7	166.5	-74.2	-170.6	174.6	-171.5	0	107.1
3	M	34.8	Very low	65	Low	117 Å²	117	91.5 Å²	91.5	58%	0.576	52%	0.517	S	S	*	.			trans	-73.5	157	165.4	-72.1	-64.6	-166.3	0	0	108.7	V1 R470	V1-M3 HydrophobicContact CG1-CE 4.41Å; V1-M3 HydrophobicContact CG1-CG 4.22Å; V1-M3 HydrophobicContact CG1-SD 4.41Å; M3-R470 WeakPolarHBondContact CE-O 3.33Å
4	A	33.4	Very low	67.1	Low	111 Å²	111	85.3 Å²	85.3	92%	0.917	48%	0.481	S	S	*	.	S	Bend	trans	-67.9	135.5	174.3	0	0	0	0	0	110.3
5	G	39.2	Very low	68.5	Low	56 Å²	56	85.8 Å²	85.8	58%	0.577	48%	0.477	S	S	*	.	S	Bend	trans	102.1	115.1	-164.2	0	0	0	0	0	110.1	N7	G5-N7 PolarHBondContact O-N 3.36Å
6	N	45.7	Very low	68.9	Low	162 Å²	162	82.3 Å²	82.3	87%	0.866	47%	0.466	S	S	*	.			trans	-80.1	32.6	-164.7	-155.8	40.3	0	0	0	114.1
7	N	60.3	Low	69	Low	119 Å²	119	79.6 Å²	79.6	64%	0.636	46%	0.46	S	S	*	.			trans	-87.9	124.4	179.9	-70.8	14.9	0	0	0	109.8	G5 Y9	G5-N7 PolarHBondContact O-N 3.36Å; N7-Y9 HydrophobicContact CB-CE2 4.05Å; N7-Y9 VanDerWaalsContact O-CD2 3.32Å; N7-Y9 WeakPolarHBondContact O-CD2 3.48Å
8	S	83.3	Confident	69.1	Low	67 Å²	67	78.5 Å²	78.5	47%	0.469	45%	0.453	S	S	.	.			trans	-67.2	135.4	163.2	41.2	0	0	0	0	109.3
9	Y	91.9	Very high	69.1	Low	111 Å²	111	81.5 Å²	81.5	44%	0.435	47%	0.467	S	S	.	.			trans	-115.2	139	174.3	-71.2	-88.2	0	0	0	109.8	N7 S42 L507	N7-Y9 HydrophobicContact CB-CE2 4.05Å; N7-Y9 VanDerWaalsContact O-CD2 3.32Å; N7-Y9 WeakPolarHBondContact O-CD2 3.48Å; Y9-S42 PolarHBondContact O-OG 2.92Å; Y9-L507 HydrophobicContact CD1-CD1 3.84Å; Y9-L507 HydrophobicContact CD1-CD2 4.32Å; Y9-L507 HydrophobicContact CD1-CG 4.07Å; Y9-L507 HydrophobicContact CG-CD1 3.84Å; Y9-L507 HydrophobicContact CG-CG 4.44Å
10	T	97.5	Very high	69.4	Low	1 Å²	1	79.1 Å²	79.1	1%	0.006	46%	0.46	C	S	.	.			trans	-74.7	126.5	164.5	-61.1	0	0	0	0	108.7	V12 S42 M43 T44 D47 I506 L507	T10-V12 HydrophobicContact CG2-CG1 3.92Å; T10-S42 CarbonylContact C-O 3.52Å; T10-S42 VanDerWaalsContact CA-O 3.3Å; T10-S42 WeakPolarHBondContact CA-O 3.33Å; T10-M43 HydrophobicContact CG2-CB 3.99Å; T10-M43 HydrophobicContact CG2-CE 3.8Å; T10-M43 HydrophobicContact CG2-CG 3.82Å; T10-M43 WeakPolarHBondContact OG1-CA 3.42Å; T10-T44 PolarHBondContact OG1-N 3.36Å; T10-D47 WeakPolarHBondContact CB-OD2 3.29Å; T10-D47 HydrophobicContact CG2-CB 4.2Å; T10-D47 WeakPolarHBondContact OG1-CB 3.23Å; T10-D47 PolarHBondContact OG1-OD2 3.31Å; T10-I506 HydrophobicContact CG2-CB 4.29Å; T10-I506 HydrophobicContact CG2-CD1 4.08Å; T10-I506 HydrophobicContact CG2-CG1 3.85Å; T10-I506 HydrophobicContact CG2-CG2 3.71Å; T10-L507 WeakPolarHBondContact O-CB 3.33Å; T10-L507 PolarHBondContact O-N 3.34Å
11	I	97.7	Very high	69.9	Low	41 Å²	41	78.2 Å²	78.2	21%	0.21	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122.6	-179.6	-54.9	174.9	0	0	0	108.1	H41 S42 L467 L507	I11-H41 HydrophobicContact CB-CB 4.39Å; I11-H41 PolarHBondContact O-N 2.82Å; I11-S42 PolarHBondContact N-O 3.13Å; I11-L467 HydrophobicContact CD1-CD2 4.14Å; I11-L467 HydrophobicContact CG1-CD2 4.48Å; I11-L467 HydrophobicContact CG2-CD2 3.89Å; I11-L507 WeakPolarHBondContact CA-O 3.35Å; I11-L507 HydrophobicContact CG1-CB 4.25Å; I11-L507 HydrophobicContact CG1-CD1 4.2Å
12	V	97.4	Very high	72.1	Confident	0 Å²	0	77 Å²	77	0%	0	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142	-174	-55.9	0	0	0	0	111.7	T10 M38 W39 M43 Y494 I506 L507 L508 Y509	T10-V12 HydrophobicContact CG2-CG1 3.92Å; V12-M38 HydrophobicContact CB-CB 4.17Å; V12-M38 HydrophobicContact CB-CG 4.21Å; V12-M38 HydrophobicContact CB-SD 3.71Å; V12-M38 HydrophobicContact CG1-CG 4.36Å; V12-M38 HydrophobicContact CG1-SD 3.62Å; V12-M38 HydrophobicContact CG2-SD 3.87Å; V12-W39 CarbonylContact C-O 3.58Å; V12-W39 VanDerWaalsContact CA-O 3.29Å; V12-W39 WeakPolarHBondContact CA-O 3.49Å; V12-M43 HydrophobicContact CG1-CE 4.15Å; V12-Y494 HydrophobicContact CG2-CE2 3.87Å; V12-I506 HydrophobicContact CB-CG2 4.34Å; V12-I506 HydrophobicContact CG1-CG2 3.91Å; V12-I506 HydrophobicContact CG2-CG2 3.54Å; V12-L507 PolarHBondContact N-O 2.89Å; V12-L507 VanDerWaalsContact N-O 3.07Å; V12-L508 HydrophobicContact CG2-CD1 4.31Å; V12-Y509 WeakPolarHBondContact O-CB 3.46Å; V12-Y509 PolarHBondContact O-N 3.4Å
13	E	95.7	Very high	74.8	Confident	56 Å²	56	67.4 Å²	67.4	26%	0.262	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	116.8	167.9	-173.6	168.7	-146.6	0	0	107.9	F15 M38 W39 Y509	E13-F15 HydrophobicContact CB-CE1 4.36Å; E13-F15 HydrophobicContact CB-CZ 4.29Å; E13-F15 HydrophobicContact CG-CD1 4.37Å; E13-F15 HydrophobicContact CG-CE1 3.69Å; E13-F15 HydrophobicContact CG-CZ 4.11Å; E13-M38 CarbonylContact O-C 3.57Å; E13-M38 WeakPolarHBondContact O-CA 3.41Å; E13-M38 WeakPolarHBondContact O-CB 3.47Å; E13-W39 PolarHBondContact N-O 3.32Å; E13-W39 PolarHBondContact O-N 2.91Å; E13-Y509 HydrophobicContact CB-CD1 4.23Å; E13-Y509 HydrophobicContact CG-CD1 4.1Å
14	Y	94.1	Very high	77.1	Confident	5 Å²	5	62 Å²	62	2%	0.02	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	138.3	-179.5	179.4	-100.2	0	0	0	109.9	A36 M38 W56 E490 E493 Y494 L497	Y14-A36 WeakPolarHBondContact CE2-O 3.28Å; Y14-M38 HydrophobicContact CD2-CB 4.37Å; Y14-W56 HydrophobicContact CE2-CH2 4.32Å; Y14-E490 HydrophobicContact CD1-CG 3.76Å; Y14-E490 HydrophobicContact CE1-CG 3.85Å; Y14-E493 WeakPolarHBondContact OH-CG 3.29Å; Y14-E493 PolarHBondContact OH-OE1 3.2Å; Y14-E493 PolarHBondContact OH-OE2 2.72Å; Y14-Y494 HydrophobicContact CD2-CD2 4.07Å; Y14-Y494 HydrophobicContact CG-CD2 4.04Å; Y14-Y494 HydrophobicContact CG-CG 4.47Å; Y14-L497 HydrophobicContact CE2-CD1 4.23Å
15	F	87.6	Confident	79.7	Confident	93 Å²	93	58.4 Å²	58.4	41%	0.408	33%	0.325	S	S	.	.			trans	-105.9	-15	-167.3	-61.1	-62.3	0	0	0	116.3	E13 G37 W39 Y62	E13-F15 HydrophobicContact CB-CE1 4.36Å; E13-F15 HydrophobicContact CB-CZ 4.29Å; E13-F15 HydrophobicContact CG-CD1 4.37Å; E13-F15 HydrophobicContact CG-CE1 3.69Å; E13-F15 HydrophobicContact CG-CZ 4.11Å; F15-G37 WeakPolarHBondContact CD2-O 3.46Å; F15-G37 PolarHBondContact N-O 3.2Å; F15-W39 HydrophobicContact CE2-CB 3.63Å; F15-W39 HydrophobicContact CZ-CB 3.64Å; F15-Y62 HydrophobicContact CD2-CE2 4.42Å
16	G	75.3	Confident	82	Confident	30 Å²	30	58.9 Å²	58.9	31%	0.309	32%	0.319	S	S	.	.			trans	66.8	146.8	178.8	0	0	0	0	0	116.1	A36	G16-A36 VanDerWaalsContact CA-CB 3.47Å; G16-A36 VanDerWaalsContact N-CB 3.28Å; G16-A36 WeakPolarHBondContact O-CB 3.4Å
17	G	70	Confident	83.9	Confident	36 Å²	36	55.8 Å²	55.8	37%	0.371	30%	0.298	S	S	.	.			trans	107	171.3	174.2	0	0	0	0	0	116.8	A36	G17-A36 WeakPolarHBondContact O-CB 3.43Å; G17-A36 PolarHBondContact O-N 2.96Å
18	D	71.4	Confident	85.1	Confident	60 Å²	60	54 Å²	54	32%	0.321	29%	0.288	S	S	.	.			trans	-127.8	59.3	-167.8	-79.6	-2.8	0	0	0	111.9	G20 H35 I67 K70	D18-G20 PolarHBondContact O-N 2.62Å; D18-H35 IonicContact OD1-ND1 2.84Å; D18-I67 HydrophobicContact CB-CD1 3.95Å; D18-I67 WeakPolarHBondContact OD1-CD1 3.27Å; D18-K70 IonicContact OD2-NZ 3.83Å; D18-K70 PolarHBondContact OD2-NZ 3.01Å
19	D	68	Low	84.9	Confident	136 Å²	136	55.8 Å²	55.8	73%	0.727	29%	0.293	S	S	*	.			trans	-71.8	130.7	-177.5	-80.1	-31.7	0	0	0	113.1
20	G	75.6	Confident	84.1	Confident	32 Å²	32	58.2 Å²	58.2	33%	0.33	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	124.6	177.4	0	0	0	0	0	112	D18 N32	D18-G20 PolarHBondContact O-N 2.62Å; G20-N32 CarbonylContact C-O 3.42Å; G20-N32 WeakPolarHBondContact CA-O 3.07Å
21	Y	81.2	Confident	83	Confident	61 Å²	61	58.3 Å²	58.3	24%	0.239	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	171.3	-178.9	60.7	-79.3	0	0	0	112.5	C23 D29 G31 N32 S34 A124	Y21-C23 PolarHBondContact O-N 3.23Å; Y21-D29 CarbonylContact C-O 3.49Å; Y21-G31 PolarHBondContact O-N 3.2Å; Y21-N32 HydrophobicContact CD1-CB 4.41Å; Y21-N32 VanDerWaalsContact CD1-O 3.27Å; Y21-N32 WeakPolarHBondContact CD1-O 3.38Å; Y21-N32 HydrophobicContact CD2-CB 4.11Å; Y21-N32 HydrophobicContact CE1-CB 4.25Å; Y21-N32 HydrophobicContact CE2-CB 3.98Å; Y21-N32 WeakPolarHBondContact CE2-ND2 3.47Å; Y21-N32 HydrophobicContact CG-CB 4.34Å; Y21-N32 PolarHBondContact N-O 3.08Å; Y21-N32 PolarHBondContact O-N 3.28Å; Y21-N32 PolarHBondContact OH-ND2 3.25Å; Y21-S34 PolarHBondContact OH-OG 3.38Å; Y21-S34 VanDerWaalsContact OH-OG 3.12Å; Y21-A124 HydrophobicContact CD2-CB 3.82Å; Y21-A124 HydrophobicContact CE1-CB 4.45Å; Y21-A124 HydrophobicContact CE2-CB 3.43Å; Y21-A124 VanDerWaalsContact CE2-CB 3.43Å; Y21-A124 HydrophobicContact CG-CB 4.45Å
22	R	84.3	Confident	82	Confident	121 Å²	121	56.5 Å²	56.5	46%	0.457	30%	0.297	S	S	.	.			trans	-61.8	123.3	-178.3	-172.3	171.1	-160.3	-138.2	4.9	110.9	G24 N28 D29	R22-G24 PolarHBondContact O-N 2.99Å; R22-N28 WeakPolarHBondContact CA-O 3.42Å; R22-D29 WeakPolarHBondContact CA-O 3.44Å; R22-D29 IonicContact CZ-OD1 3.55Å; R22-D29 PolarHBondContact N-O 3Å; R22-D29 IonicContact NE-OD1 2.79Å; R22-D29 PolarHBondContact NE-OD1 3.18Å
23	C	86.1	Confident	81.1	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.308	C	S	.	.			trans	-78.1	105.5	178.3	-173.5	0	0	0	0	110.4	Y21 Y25 C26 K27 N28 N32 C72	Y21-C23 PolarHBondContact O-N 3.23Å; C23-Y25 PolarHBondContact O-N 3.1Å; C23-C26 PolarHBondContact O-N 3.31Å; C23-K27 WeakPolarHBondContact O-CA 3.43Å; C23-K27 PolarHBondContact O-N 3.45Å; C23-N28 PolarHBondContact N-O 2.82Å; C23-N32 HydrophobicContact CB-CB 3.97Å; C23-C72 VanDerWaalsContact SG-SG 3.61Å
24	G	83.6	Confident	79.9	Confident	5 Å²	5	56.7 Å²	56.7	5%	0.052	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-12.8	179	0	0	0	0	0	115.3	R22 K27 V120	R22-G24 PolarHBondContact O-N 2.99Å; G24-K27 WeakPolarHBondContact O-CE 3.37Å; G24-K27 PolarHBondContact O-NZ 2.81Å; G24-V120 VanDerWaalsContact CA-CG1 3.48Å
25	Y	87.1	Confident	78.5	Confident	34 Å²	34	58.3 Å²	58.3	13%	0.133	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-50.6	177.7	-55.7	-60.7	0	0	0	113.9	C23 C73 Q75 V120 V403 C406 M409	C23-Y25 PolarHBondContact O-N 3.1Å; Y25-C73 HydrophobicContact CD2-CB 3.83Å; Y25-C73 HydrophobicContact CG-CB 4.34Å; Y25-Q75 HydrophobicContact CE2-CG 3.89Å; Y25-V120 HydrophobicContact CD1-CB 4.18Å; Y25-V120 HydrophobicContact CD1-CG2 3.61Å; Y25-V120 HydrophobicContact CE1-CB 3.65Å; Y25-V120 HydrophobicContact CE1-CG1 4.21Å; Y25-V120 HydrophobicContact CE1-CG2 3.5Å; Y25-V120 HydrophobicContact CE2-CG1 4.28Å; Y25-V120 HydrophobicContact CG-CG2 4.34Å; Y25-V403 HydrophobicContact CD2-CG2 4.32Å; Y25-V403 HydrophobicContact CE1-CG2 4.26Å; Y25-V403 HydrophobicContact CE2-CG2 3.99Å; Y25-C406 HydrophobicContact CD1-CB 4.47Å; Y25-M409 HydrophobicContact CD1-CG 3.92Å; Y25-M409 HydrophobicContact CE1-CE 3.82Å; Y25-M409 HydrophobicContact CE1-CG 3.75Å; Y25-M409 HydrophobicContact CE1-SD 4.02Å
26	C	88.1	Confident	77.6	Confident	66 Å²	66	54.5 Å²	54.5	45%	0.446	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	4.8	-179.4	69.2	0	0	0	0	113.7	C23 N28 C72	C23-C26 PolarHBondContact O-N 3.31Å; C26-N28 PolarHBondContact O-N 3.36Å; C26-N28 VanDerWaalsContact O-N 3.13Å; C26-C72 PolarHBondContact SG-SG 2.99Å
27	K	86.3	Confident	78.2	Confident	97 Å²	97	53.1 Å²	53.1	42%	0.422	28%	0.277	S	S	.	.			trans	59.7	13.3	-179.9	-48.9	-55.7	-172.6	-169.3	0	116.1	C23 G24 D29	C23-K27 WeakPolarHBondContact O-CA 3.43Å; C23-K27 PolarHBondContact O-N 3.45Å; G24-K27 WeakPolarHBondContact O-CE 3.37Å; G24-K27 PolarHBondContact O-NZ 2.81Å; K27-D29 PolarHBondContact O-N 2.89Å
28	N	84.7	Confident	79.3	Confident	81 Å²	81	51.4 Å²	51.4	43%	0.433	26%	0.26	S	S	.	.			trans	-65.1	123.1	171.3	178.7	-28.3	0	0	0	110.9	R22 C23 C26 K30 G31	R22-N28 WeakPolarHBondContact CA-O 3.42Å; C23-N28 PolarHBondContact N-O 2.82Å; C26-N28 PolarHBondContact O-N 3.36Å; C26-N28 VanDerWaalsContact O-N 3.13Å; N28-K30 VanDerWaalsContact C-N 3.29Å; N28-K30 PolarHBondContact O-N 3.17Å; N28-K30 PolarHBondContact OD1-N 3.4Å; N28-G31 PolarHBondContact O-N 2.9Å; N28-G31 PolarHBondContact OD1-N 2.89Å
29	D	78.4	Confident	80.5	Confident	106 Å²	106	52.6 Å²	52.6	57%	0.567	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.7	-170.6	-57.6	-49.3	0	0	0	115.3	Y21 R22 K27	Y21-D29 CarbonylContact C-O 3.49Å; R22-D29 WeakPolarHBondContact CA-O 3.44Å; R22-D29 IonicContact CZ-OD1 3.55Å; R22-D29 PolarHBondContact N-O 3Å; R22-D29 IonicContact NE-OD1 2.79Å; R22-D29 PolarHBondContact NE-OD1 3.18Å; K27-D29 PolarHBondContact O-N 2.89Å
30	K	77.1	Confident	81.9	Confident	162 Å²	162	46.1 Å²	46.1	70%	0.704	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.8	39.9	170.8	-65.8	-171.4	177.3	-174.8	0	111.4	N28 F33	N28-K30 VanDerWaalsContact C-N 3.29Å; N28-K30 PolarHBondContact O-N 3.17Å; N28-K30 PolarHBondContact OD1-N 3.4Å; K30-F33 WeakPolarHBondContact O-CE2 3.44Å
31	G	74.1	Confident	82.8	Confident	3 Å²	3	48.2 Å²	48.2	3%	0.031	23%	0.226	C	C	.	.			trans	-91.5	-21.4	-175.3	0	0	0	0	0	115.2	Y21 N28 T71 C72	Y21-G31 PolarHBondContact O-N 3.2Å; N28-G31 PolarHBondContact O-N 2.9Å; N28-G31 PolarHBondContact OD1-N 2.89Å; G31-T71 WeakPolarHBondContact O-CA 3.42Å; G31-C72 VanDerWaalsContact C-SG 3.56Å; G31-C72 VanDerWaalsContact CA-SG 3.56Å; G31-C72 PolarHBondContact O-N 3.16Å; G31-C72 PolarHBondContact O-SG 3.27Å
32	N	76.8	Confident	83.6	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.1	-174.5	-153.7	17.8	0	0	0	110.6	G20 Y21 C23 T71 Q75	G20-N32 CarbonylContact C-O 3.42Å; G20-N32 WeakPolarHBondContact CA-O 3.07Å; Y21-N32 HydrophobicContact CD1-CB 4.41Å; Y21-N32 VanDerWaalsContact CD1-O 3.27Å; Y21-N32 WeakPolarHBondContact CD1-O 3.38Å; Y21-N32 HydrophobicContact CD2-CB 4.11Å; Y21-N32 HydrophobicContact CE1-CB 4.25Å; Y21-N32 HydrophobicContact CE2-CB 3.98Å; Y21-N32 WeakPolarHBondContact CE2-ND2 3.47Å; Y21-N32 HydrophobicContact CG-CB 4.34Å; Y21-N32 PolarHBondContact N-O 3.08Å; Y21-N32 PolarHBondContact O-N 3.28Å; Y21-N32 PolarHBondContact OH-ND2 3.25Å; C23-N32 HydrophobicContact CB-CB 3.97Å; N32-T71 WeakPolarHBondContact OD1-CG2 3.37Å; N32-Q75 PolarHBondContact OD1-NE2 2.98Å
33	F	78.3	Confident	84.2	Confident	51 Å²	51	40.4 Å²	40.4	22%	0.224	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.1	176.8	-64.8	-92.7	0	0	0	108.2	K30 I67 K70 T71	K30-F33 WeakPolarHBondContact O-CE2 3.44Å; F33-I67 HydrophobicContact CB-CB 4.09Å; F33-I67 HydrophobicContact CB-CD1 4.13Å; F33-I67 HydrophobicContact CB-CG1 4.14Å; F33-I67 PolarHBondContact O-N 3.04Å; F33-K70 HydrophobicContact CB-CB 3.99Å; F33-K70 HydrophobicContact CD2-CB 3.78Å; F33-K70 HydrophobicContact CE2-CB 4.44Å; F33-K70 HydrophobicContact CG-CB 3.87Å; F33-T71 PolarHBondContact N-OG1 3.31Å; F33-T71 PolarHBondContact O-OG1 3.39Å
34	S	69.3	Low	84.7	Confident	9 Å²	9	41.2 Å²	41.2	6%	0.063	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147.6	164.1	-66.6	0	0	0	0	108.1	Y21 K65	Y21-S34 PolarHBondContact OH-OG 3.38Å; Y21-S34 VanDerWaalsContact OH-OG 3.12Å; S34-K65 WeakPolarHBondContact CA-O 3.21Å
35	H	66.3	Low	85.4	Confident	38 Å²	38	41 Å²	41	18%	0.176	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	144.5	158.1	-67.8	-78.9	0	0	0	106.1	D18 G37 K65 E493 L497	D18-H35 IonicContact OD1-ND1 2.84Å; H35-G37 PolarHBondContact O-N 2.75Å; H35-K65 PolarHBondContact N-O 3.32Å; H35-E493 IonicContact ND1-OE1 2.87Å; H35-L497 HydrophobicContact CB-CD1 3.84Å
36	A	68.4	Low	85.8	Confident	14 Å²	14	42.7 Å²	42.7	12%	0.116	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.8	131.2	174.5	0	0	0	0	0	110.1	Y14 G16 G17	Y14-A36 WeakPolarHBondContact CE2-O 3.28Å; G16-A36 VanDerWaalsContact CA-CB 3.47Å; G16-A36 VanDerWaalsContact N-CB 3.28Å; G16-A36 WeakPolarHBondContact O-CB 3.4Å; G17-A36 WeakPolarHBondContact O-CB 3.43Å; G17-A36 PolarHBondContact O-N 2.96Å
37	G	86.6	Confident	86.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-178.8	179.5	0	0	0	0	0	111.6	F15 H35 Y62 V63	F15-G37 WeakPolarHBondContact CD2-O 3.46Å; F15-G37 PolarHBondContact N-O 3.2Å; H35-G37 PolarHBondContact O-N 2.75Å; G37-Y62 WeakPolarHBondContact CA-OH 3.28Å; G37-Y62 PolarHBondContact N-OH 2.9Å; G37-Y62 VanDerWaalsContact N-OH 3.11Å; G37-V63 CarbonylContact C-O 3.58Å; G37-V63 WeakPolarHBondContact CA-O 3.35Å
38	M	94.3	Very high	86.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	140.9	166.5	61.9	-174.1	78.6	0	0	109.7	V12 E13 Y14 W56 V63 Y494 V498	V12-M38 HydrophobicContact CB-CB 4.17Å; V12-M38 HydrophobicContact CB-CG 4.21Å; V12-M38 HydrophobicContact CB-SD 3.71Å; V12-M38 HydrophobicContact CG1-CG 4.36Å; V12-M38 HydrophobicContact CG1-SD 3.62Å; V12-M38 HydrophobicContact CG2-SD 3.87Å; E13-M38 CarbonylContact O-C 3.57Å; E13-M38 WeakPolarHBondContact O-CA 3.41Å; E13-M38 WeakPolarHBondContact O-CB 3.47Å; Y14-M38 HydrophobicContact CD2-CB 4.37Å; M38-W56 HydrophobicContact CE-CD2 4.47Å; M38-W56 HydrophobicContact CE-CE3 4.22Å; M38-W56 HydrophobicContact CE-CH2 3.32Å; M38-W56 HydrophobicContact CE-CZ2 3.56Å; M38-W56 HydrophobicContact CE-CZ3 3.69Å; M38-V63 HydrophobicContact CG-CB 3.85Å; M38-V63 HydrophobicContact CG-CG2 4.5Å; M38-V63 PolarHBondContact N-O 3.21Å; M38-V63 PolarHBondContact O-N 3.42Å; M38-Y494 HydrophobicContact CE-CD2 4.19Å; M38-Y494 HydrophobicContact CE-CE2 3.92Å; M38-Y494 HydrophobicContact SD-CE2 4.47Å; M38-V498 HydrophobicContact CE-CG1 3.75Å
39	W	96.1	Very high	87.5	Confident	86 Å²	86	31.4 Å²	31.4	33%	0.326	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	124.2	162.7	-174.2	-103.5	0	0	0	108.5	V12 E13 F15 H41 K61	V12-W39 CarbonylContact C-O 3.58Å; V12-W39 VanDerWaalsContact CA-O 3.29Å; V12-W39 WeakPolarHBondContact CA-O 3.49Å; E13-W39 PolarHBondContact N-O 3.32Å; E13-W39 PolarHBondContact O-N 2.91Å; F15-W39 HydrophobicContact CE2-CB 3.63Å; F15-W39 HydrophobicContact CZ-CB 3.64Å; W39-H41 AromaticContact CD1-CE1 3.62Å; W39-H41 AromaticContact CD1-ND1 3.8Å; W39-H41 AromaticContact CD1-NE2 3.87Å; W39-H41 AromaticContact NE1-ND1 3.94Å; W39-K61 HydrophobicContact CD2-CB 4.23Å; W39-K61 HydrophobicContact CE3-CB 4.22Å; W39-K61 HydrophobicContact CH2-CB 3.79Å; W39-K61 HydrophobicContact CZ2-CB 3.78Å; W39-K61 HydrophobicContact CZ2-CD 3.98Å; W39-K61 HydrophobicContact CZ2-CG 4.42Å; W39-K61 HydrophobicContact CZ3-CB 4Å
40	S	96.9	Very high	88.4	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.5	174.9	-179.8	0	0	0	0	110.5	S42 K61 P316	S40-S42 PolarHBondContact OG-O 2.9Å; S40-K61 PolarHBondContact N-O 3.2Å; S40-P316 VanDerWaalsContact OG-CB 3.23Å; S40-P316 WeakPolarHBondContact OG-CB 3.33Å
41	H	95.7	Very high	89.4	Confident	76 Å²	76	20.6 Å²	20.6	35%	0.352	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-42.7	176.3	-60.3	-86.7	0	0	0	110.7	I11 W39 K61	I11-H41 HydrophobicContact CB-CB 4.39Å; I11-H41 PolarHBondContact O-N 2.82Å; W39-H41 AromaticContact CD1-CE1 3.62Å; W39-H41 AromaticContact CD1-ND1 3.8Å; W39-H41 AromaticContact CD1-NE2 3.87Å; W39-H41 AromaticContact NE1-ND1 3.94Å; H41-K61 PolarHBondContact O-NZ 3.18Å; H41-K61 VanDerWaalsContact O-NZ 3.08Å
42	S	96.4	Very high	90.5	Very high	18 Å²	18	20.4 Å²	20.4	13%	0.126	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	150.9	174.4	54.8	0	0	0	0	109.4	Y9 T10 I11 S40 P316 E318	Y9-S42 PolarHBondContact O-OG 2.92Å; T10-S42 CarbonylContact C-O 3.52Å; T10-S42 VanDerWaalsContact CA-O 3.3Å; T10-S42 WeakPolarHBondContact CA-O 3.33Å; I11-S42 PolarHBondContact N-O 3.13Å; S40-S42 PolarHBondContact OG-O 2.9Å; S42-P316 CarbonylContact C-O 3.51Å; S42-E318 WeakPolarHBondContact CB-OE1 3.09Å
43	M	97.4	Very high	91.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-149.8	133.8	179.3	-174.7	166.1	-78.3	0	0	111.6	T10 V12 D47 Y48 L51 V63 P316 L317 E318	T10-M43 HydrophobicContact CG2-CB 3.99Å; T10-M43 HydrophobicContact CG2-CE 3.8Å; T10-M43 HydrophobicContact CG2-CG 3.82Å; T10-M43 WeakPolarHBondContact OG1-CA 3.42Å; V12-M43 HydrophobicContact CG1-CE 4.15Å; M43-D47 HydrophobicContact CG-CB 4.22Å; M43-Y48 HydrophobicContact SD-CD2 3.69Å; M43-Y48 HydrophobicContact SD-CG 4.01Å; M43-L51 HydrophobicContact CE-CD1 3.56Å; M43-L51 HydrophobicContact SD-CD1 4.1Å; M43-V63 HydrophobicContact CE-CG2 4.22Å; M43-P316 HydrophobicContact CB-CB 3.88Å; M43-P316 HydrophobicContact CB-CG 4.24Å; M43-P316 PolarHBondContact N-O 3.35Å; M43-P316 HydrophobicContact SD-CG 4.48Å; M43-L317 HydrophobicContact CB-CD2 4.2Å; M43-L317 HydrophobicContact CG-CD2 4.03Å; M43-L317 WeakPolarHBondContact O-CA 3.49Å; M43-L317 HydrophobicContact SD-CD2 4.24Å; M43-E318 PolarHBondContact O-N 2.82Å
44	T	97.4	Very high	92.4	Very high	17 Å²	17	20.2 Å²	20.2	10%	0.104	10%	0.099	C	C	.	.			trans	-74.7	153.4	170.4	78.2	0	0	0	0	110.1	T10 Q46 D47 Y48	T10-T44 PolarHBondContact OG1-N 3.36Å; T44-Q46 PolarHBondContact O-N 2.66Å; T44-D47 PolarHBondContact O-N 3.44Å; T44-D47 WeakPolarHBondContact OG1-CB 3.45Å; T44-D47 VanDerWaalsContact OG1-CG 3.25Å; T44-D47 PolarHBondContact OG1-N 3.06Å; T44-D47 PolarHBondContact OG1-OD2 3.18Å; T44-Y48 PolarHBondContact O-N 2.99Å; T44-Y48 VanDerWaalsContact O-N 3.08Å
45	V	97	Very high	93.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-70.4	-23.7	-179.9	-62.5	0	0	0	0	112.4	Q49 L317 E320 Y330 L352 P353	V45-Q49 WeakPolarHBondContact O-CB 2.8Å; V45-Q49 PolarHBondContact O-N 3.32Å; V45-L317 HydrophobicContact CG1-CB 4.49Å; V45-E320 HydrophobicContact CG2-CB 4.12Å; V45-E320 WeakPolarHBondContact CG2-OE2 3.49Å; V45-Y330 HydrophobicContact CG2-CD2 4.09Å; V45-Y330 HydrophobicContact CG2-CG 4.02Å; V45-L352 HydrophobicContact CB-CD2 3.97Å; V45-L352 HydrophobicContact CG1-CD2 4.28Å; V45-P353 HydrophobicContact CG2-CG 4.04Å
46	Q	97	Very high	95.1	Very high	69 Å²	69	18.6 Å²	18.6	32%	0.322	9%	0.094	S	C	.	.	H	α-helix	trans	-74.5	-43.1	172	-172.7	62.2	55.9	0	0	111.9	T44 Y48 Q49 D50	T44-Q46 PolarHBondContact O-N 2.66Å; Q46-Y48 VanDerWaalsContact C-N 3.28Å; Q46-Y48 PolarHBondContact O-N 3.39Å; Q46-Q49 WeakPolarHBondContact O-CB 3.5Å; Q46-Q49 PolarHBondContact O-N 3.02Å; Q46-D50 PolarHBondContact NE2-OD1 2.95Å; Q46-D50 VanDerWaalsContact O-CG 3.23Å; Q46-D50 PolarHBondContact O-N 3.27Å
47	D	97.9	Very high	96.4	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.011	9%	0.091	C	C	.	.	H	α-helix	trans	-59	-42.1	173.4	-74.5	-58	0	0	0	111.3	T10 M43 T44 D50 L51 R505 I506	T10-D47 WeakPolarHBondContact CB-OD2 3.29Å; T10-D47 HydrophobicContact CG2-CB 4.2Å; T10-D47 WeakPolarHBondContact OG1-CB 3.23Å; T10-D47 PolarHBondContact OG1-OD2 3.31Å; M43-D47 HydrophobicContact CG-CB 4.22Å; T44-D47 PolarHBondContact O-N 3.44Å; T44-D47 WeakPolarHBondContact OG1-CB 3.45Å; T44-D47 VanDerWaalsContact OG1-CG 3.25Å; T44-D47 PolarHBondContact OG1-N 3.06Å; T44-D47 PolarHBondContact OG1-OD2 3.18Å; D47-D50 PolarHBondContact O-N 3.26Å; D47-L51 WeakPolarHBondContact O-CB 2.98Å; D47-L51 WeakPolarHBondContact O-CG 3.28Å; D47-L51 PolarHBondContact O-N 3.35Å; D47-R505 IonicContact OD1-CZ 3.28Å; D47-R505 IonicContact OD1-NE 2.69Å; D47-R505 PolarHBondContact OD1-NE 3Å; D47-R505 IonicContact OD1-NH2 2.89Å; D47-R505 PolarHBondContact OD1-NH2 2.88Å; D47-R505 IonicContact OD2-NE 3.07Å; D47-I506 HydrophobicContact CB-CD1 4.19Å; D47-I506 HydrophobicContact CB-CG1 4.26Å; D47-I506 VanDerWaalsContact OD1-CG1 3.29Å; D47-I506 WeakPolarHBondContact OD1-CG1 3.36Å
48	Y	98.2	Very high	96.8	Very high	3 Å²	3	19 Å²	19	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-68.6	-37.1	176.7	-168.9	-127	0	0	0	113	M43 T44 Q46 L51 I52 R58 L317 D350 L352	M43-Y48 HydrophobicContact SD-CD2 3.69Å; M43-Y48 HydrophobicContact SD-CG 4.01Å; T44-Y48 PolarHBondContact O-N 2.99Å; T44-Y48 VanDerWaalsContact O-N 3.08Å; Q46-Y48 VanDerWaalsContact C-N 3.28Å; Q46-Y48 PolarHBondContact O-N 3.39Å; Y48-L51 PolarHBondContact O-N 3.38Å; Y48-I52 HydrophobicContact CD1-CG2 4.22Å; Y48-I52 HydrophobicContact CD2-CG2 4.02Å; Y48-I52 HydrophobicContact CE1-CG2 3.8Å; Y48-I52 HydrophobicContact CE2-CG2 3.55Å; Y48-I52 HydrophobicContact CG-CG2 4.32Å; Y48-I52 VanDerWaalsContact CZ-CG2 3.41Å; Y48-I52 WeakPolarHBondContact O-CG1 3.39Å; Y48-I52 WeakPolarHBondContact O-CG2 3.37Å; Y48-I52 PolarHBondContact O-N 3.46Å; Y48-R58 HydrophobicContact CE2-CB 4.1Å; Y48-R58 HydrophobicContact CE2-CG 4.29Å; Y48-R58 WeakPolarHBondContact OH-CG 3.41Å; Y48-R58 PolarHBondContact OH-N 2.95Å; Y48-L317 VanDerWaalsContact CB-CD2 3.49Å; Y48-L317 HydrophobicContact CD1-CD1 3.89Å; Y48-L317 HydrophobicContact CD1-CD2 3.8Å; Y48-L317 HydrophobicContact CD1-CG 4.4Å; Y48-L317 HydrophobicContact CE1-CD1 4.37Å; Y48-L317 HydrophobicContact CG-CD2 3.72Å; Y48-D350 WeakPolarHBondContact CE1-OD2 3.24Å; Y48-L352 HydrophobicContact CD1-CD1 3.64Å; Y48-L352 HydrophobicContact CD1-CD2 3.9Å; Y48-L352 HydrophobicContact CD1-CG 4.42Å; Y48-L352 HydrophobicContact CE1-CD1 4.05Å
49	Q	98	Very high	96.7	Very high	2 Å²	2	20 Å²	20	1%	0.009	10%	0.099	C	C	.	.	H	α-helix	trans	-56.2	-50.6	172.5	178.3	67.2	75.7	0	0	111	V45 Q46 L51 I52 D53 T354	V45-Q49 WeakPolarHBondContact O-CB 2.8Å; V45-Q49 PolarHBondContact O-N 3.32Å; Q46-Q49 WeakPolarHBondContact O-CB 3.5Å; Q46-Q49 PolarHBondContact O-N 3.02Å; Q49-L51 VanDerWaalsContact C-N 3.3Å; Q49-L51 PolarHBondContact O-N 3.46Å; Q49-I52 WeakPolarHBondContact O-CG1 3.47Å; Q49-I52 PolarHBondContact O-N 3.29Å; Q49-D53 VanDerWaalsContact NE2-CG 3.34Å; Q49-D53 PolarHBondContact NE2-OD1 3.14Å; Q49-D53 PolarHBondContact NE2-OD2 3.2Å; Q49-D53 WeakPolarHBondContact O-CB 3.4Å; Q49-D53 VanDerWaalsContact O-CG 3.24Å; Q49-D53 PolarHBondContact O-N 3.4Å; Q49-D53 VanDerWaalsContact O-N 3.1Å; Q49-T354 HydrophobicContact CG-CG2 4.26Å; Q49-T354 PolarHBondContact NE2-OG1 3.31Å; Q49-T354 VanDerWaalsContact NE2-OG1 3.12Å; Q49-T354 VanDerWaalsContact OE1-N 3.12Å; Q49-T354 PolarHBondContact OE1-OG1 3.15Å
50	D	97.9	Very high	96.6	Very high	41 Å²	41	16 Å²	16	22%	0.219	8%	0.084	C	C	.	.	H	α-helix	trans	-65.7	-34.8	-178.7	-59.6	-18.4	0	0	0	111.2	Q46 D47 R54 R505	Q46-D50 PolarHBondContact NE2-OD1 2.95Å; Q46-D50 VanDerWaalsContact O-CG 3.23Å; Q46-D50 PolarHBondContact O-N 3.27Å; D47-D50 PolarHBondContact O-N 3.26Å; D50-R54 WeakPolarHBondContact O-CG 3.49Å; D50-R54 PolarHBondContact O-N 3.46Å; D50-R505 IonicContact OD2-CZ 2.59Å; D50-R505 IonicContact OD2-NH1 3.14Å; D50-R505 PolarHBondContact OD2-NH1 3.16Å; D50-R505 IonicContact OD2-NH2 2.76Å; D50-R505 PolarHBondContact OD2-NH2 2.86Å
51	L	97.8	Very high	96.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-69.4	-44.7	174.1	-71.2	171.6	0	0	0	113	M43 D47 Y48 Q49 D53 R54 G55 W56 V498 I506	M43-L51 HydrophobicContact CE-CD1 3.56Å; M43-L51 HydrophobicContact SD-CD1 4.1Å; D47-L51 WeakPolarHBondContact O-CB 2.98Å; D47-L51 WeakPolarHBondContact O-CG 3.28Å; D47-L51 PolarHBondContact O-N 3.35Å; Y48-L51 PolarHBondContact O-N 3.38Å; Q49-L51 VanDerWaalsContact C-N 3.3Å; Q49-L51 PolarHBondContact O-N 3.46Å; L51-D53 PolarHBondContact O-N 3.06Å; L51-R54 CarbonylContact O-C 3.33Å; L51-R54 WeakPolarHBondContact O-CA 3.3Å; L51-R54 PolarHBondContact O-N 2.92Å; L51-G55 PolarHBondContact O-N 2.98Å; L51-W56 HydrophobicContact CB-CB 3.97Å; L51-W56 HydrophobicContact CB-CG 4.11Å; L51-W56 HydrophobicContact CD2-CD2 4.45Å; L51-W56 HydrophobicContact CD2-CG 4.08Å; L51-W56 WeakPolarHBondContact O-CB 3.37Å; L51-W56 VanDerWaalsContact O-CD1 3.28Å; L51-W56 PolarHBondContact O-N 3.03Å; L51-V498 HydrophobicContact CD2-CB 3.9Å; L51-V498 HydrophobicContact CD2-CG1 3.73Å; L51-I506 HydrophobicContact CD1-CD1 4.06Å; L51-I506 HydrophobicContact CG-CD1 4.44Å
52	I	97.2	Very high	96.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.2	-31	178.8	65.1	170.5	0	0	0	112.3	Y48 Q49 R54 G55 W56 R57 L352 Y398	Y48-I52 HydrophobicContact CD1-CG2 4.22Å; Y48-I52 HydrophobicContact CD2-CG2 4.02Å; Y48-I52 HydrophobicContact CE1-CG2 3.8Å; Y48-I52 HydrophobicContact CE2-CG2 3.55Å; Y48-I52 HydrophobicContact CG-CG2 4.32Å; Y48-I52 VanDerWaalsContact CZ-CG2 3.41Å; Y48-I52 WeakPolarHBondContact O-CG1 3.39Å; Y48-I52 WeakPolarHBondContact O-CG2 3.37Å; Y48-I52 PolarHBondContact O-N 3.46Å; Q49-I52 WeakPolarHBondContact O-CG1 3.47Å; Q49-I52 PolarHBondContact O-N 3.29Å; I52-R54 PolarHBondContact O-N 3.42Å; I52-G55 PolarHBondContact O-N 3.39Å; I52-W56 WeakPolarHBondContact CA-O 3.39Å; I52-R57 PolarHBondContact O-NH1 3.11Å; I52-L352 HydrophobicContact CD1-CD1 3.58Å; I52-Y398 HydrophobicContact CD1-CD2 3.72Å; I52-Y398 HydrophobicContact CD1-CE2 3.68Å; I52-Y398 HydrophobicContact CD1-CG 4.45Å; I52-Y398 HydrophobicContact CG1-CD2 4.42Å; I52-Y398 HydrophobicContact CG1-CE2 4.06Å
53	D	97.6	Very high	96.5	Very high	33 Å²	33	15.8 Å²	15.8	18%	0.176	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-7.5	173.3	-66.9	-14.8	0	0	0	112.6	Q49 L51 Y398 L421 W428	Q49-D53 VanDerWaalsContact NE2-CG 3.34Å; Q49-D53 PolarHBondContact NE2-OD1 3.14Å; Q49-D53 PolarHBondContact NE2-OD2 3.2Å; Q49-D53 WeakPolarHBondContact O-CB 3.4Å; Q49-D53 VanDerWaalsContact O-CG 3.24Å; Q49-D53 PolarHBondContact O-N 3.4Å; Q49-D53 VanDerWaalsContact O-N 3.1Å; L51-D53 PolarHBondContact O-N 3.06Å; D53-Y398 WeakPolarHBondContact OD1-CE2 3.31Å; D53-Y398 VanDerWaalsContact OD1-CZ 3.24Å; D53-Y398 PolarHBondContact OD1-OH 3.06Å; D53-L421 VanDerWaalsContact O-CD1 3.29Å; D53-L421 WeakPolarHBondContact O-CD1 3.36Å; D53-L421 VanDerWaalsContact O-CD2 3.22Å; D53-L421 WeakPolarHBondContact O-CD2 3.43Å; D53-W428 WeakPolarHBondContact OD1-CZ2 3.46Å
54	R	96.3	Very high	96.3	Very high	16 Å²	16	17.3 Å²	17.3	6%	0.06	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	14.6	166.5	-65.7	179.4	67.5	81.6	-7.2	113.5	D50 L51 I52 K65 Y426 D454 S496 L497 V498	D50-R54 WeakPolarHBondContact O-CG 3.49Å; D50-R54 PolarHBondContact O-N 3.46Å; L51-R54 CarbonylContact O-C 3.33Å; L51-R54 WeakPolarHBondContact O-CA 3.3Å; L51-R54 PolarHBondContact O-N 2.92Å; I52-R54 PolarHBondContact O-N 3.42Å; R54-K65 VanDerWaalsContact O-CE 3.28Å; R54-K65 WeakPolarHBondContact O-CE 3.5Å; R54-K65 PolarHBondContact O-NZ 3.3Å; R54-Y426 HydrophobicContact CB-CD1 4.09Å; R54-Y426 HydrophobicContact CB-CE1 4.15Å; R54-Y426 HydrophobicContact CG-CD1 4.3Å; R54-Y426 HydrophobicContact CG-CG 4.24Å; R54-Y426 VanDerWaalsContact NH1-CD2 3.29Å; R54-Y426 WeakPolarHBondContact O-CE1 3.32Å; R54-D454 IonicContact CZ-OD1 3.25Å; R54-D454 IonicContact CZ-OD2 3.68Å; R54-D454 VanDerWaalsContact CZ-OD2 3.32Å; R54-D454 VanDerWaalsContact NH1-CG 3.25Å; R54-D454 IonicContact NH1-OD1 3.44Å; R54-D454 PolarHBondContact NH1-OD1 3.13Å; R54-D454 IonicContact NH1-OD2 3.74Å; R54-D454 PolarHBondContact NH1-OD2 3.01Å; R54-D454 IonicContact NH2-OD1 2.67Å; R54-D454 IonicContact NH2-OD2 3.09Å; R54-D454 PolarHBondContact NH2-OD2 3.23Å; R54-S496 PolarHBondContact NH2-O 3.29Å; R54-L497 PolarHBondContact NE-O 3.39Å; R54-V498 WeakPolarHBondContact CD-O 3.27Å; R54-V498 PolarHBondContact NE-O 2.8Å
55	G	95.6	Very high	96.1	Very high	13 Å²	13	17.2 Å²	17.2	13%	0.134	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	5.7	174.3	0	0	0	0	0	116	L51 I52	L51-G55 PolarHBondContact O-N 2.98Å; I52-G55 PolarHBondContact O-N 3.39Å
56	W	96.6	Very high	95.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.			trans	-73.1	154.7	173.5	-67.1	90.1	0	0	0	111.9	Y14 M38 L51 I52 V63 Y64 K65 L497 V498	Y14-W56 HydrophobicContact CE2-CH2 4.32Å; M38-W56 HydrophobicContact CE-CD2 4.47Å; M38-W56 HydrophobicContact CE-CE3 4.22Å; M38-W56 HydrophobicContact CE-CH2 3.32Å; M38-W56 HydrophobicContact CE-CZ2 3.56Å; M38-W56 HydrophobicContact CE-CZ3 3.69Å; L51-W56 HydrophobicContact CB-CB 3.97Å; L51-W56 HydrophobicContact CB-CG 4.11Å; L51-W56 HydrophobicContact CD2-CD2 4.45Å; L51-W56 HydrophobicContact CD2-CG 4.08Å; L51-W56 WeakPolarHBondContact O-CB 3.37Å; L51-W56 VanDerWaalsContact O-CD1 3.28Å; L51-W56 PolarHBondContact O-N 3.03Å; I52-W56 WeakPolarHBondContact CA-O 3.39Å; W56-V63 HydrophobicContact CB-CG1 4.2Å; W56-V63 HydrophobicContact CE3-CG1 3.97Å; W56-Y64 CarbonylContact C-O 3.54Å; W56-Y64 WeakPolarHBondContact CA-O 3.37Å; W56-K65 HydrophobicContact CD2-CB 3.67Å; W56-K65 HydrophobicContact CD2-CD 4.01Å; W56-K65 HydrophobicContact CD2-CG 4.45Å; W56-K65 HydrophobicContact CE3-CB 3.61Å; W56-K65 HydrophobicContact CG-CB 4.22Å; W56-K65 HydrophobicContact CG-CD 4.14Å; W56-K65 HydrophobicContact CH2-CB 4.24Å; W56-K65 HydrophobicContact CZ2-CB 4.33Å; W56-K65 HydrophobicContact CZ2-CD 4.23Å; W56-K65 HydrophobicContact CZ3-CB 3.89Å; W56-L497 HydrophobicContact CH2-CB 4.43Å; W56-L497 HydrophobicContact CH2-CD1 4.43Å; W56-L497 HydrophobicContact CZ2-CB 3.58Å; W56-L497 HydrophobicContact CZ2-CD1 4.36Å; W56-L497 PolarHBondContact NE1-O 3.05Å; W56-V498 HydrophobicContact CZ2-CG1 3.96Å
57	R	95.5	Very high	95.5	Very high	13 Å²	13	14.9 Å²	14.9	5%	0.049	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	161	169.5	-71.8	-60.9	-178.8	-82.8	-7.2	110.3	I52 V63 Y64 T77 G400 F401	I52-R57 PolarHBondContact O-NH1 3.11Å; R57-V63 CarbonylContact O-C 3.55Å; R57-V63 VanDerWaalsContact O-CA 3.27Å; R57-V63 WeakPolarHBondContact O-CA 2.98Å; R57-V63 WeakPolarHBondContact O-CG1 3.46Å; R57-Y64 HydrophobicContact CB-CE1 3.94Å; R57-Y64 HydrophobicContact CB-CE2 4.11Å; R57-Y64 PolarHBondContact N-O 2.63Å; R57-Y64 VanDerWaalsContact O-CD1 3.3Å; R57-Y64 WeakPolarHBondContact O-CD1 3.4Å; R57-Y64 PolarHBondContact O-N 2.84Å; R57-T77 PolarHBondContact NH1-OG1 3.04Å; R57-T77 VanDerWaalsContact NH1-OG1 3.15Å; R57-T77 VanDerWaalsContact NH2-CB 3.31Å; R57-T77 PolarHBondContact NH2-OG1 2.9Å; R57-G400 PolarHBondContact NH2-O 3.37Å; R57-F401 HydrophobicContact CB-CE2 4.23Å; R57-F401 HydrophobicContact CB-CZ 4.08Å; R57-F401 HydrophobicContact CG-CD2 4.36Å; R57-F401 HydrophobicContact CG-CE1 3.85Å; R57-F401 HydrophobicContact CG-CE2 3.53Å; R57-F401 HydrophobicContact CG-CZ 3.24Å
58	R	95	Very high	95.2	Very high	11 Å²	11	16 Å²	16	4%	0.042	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	155.2	173.2	80	-171.6	-174.1	76.1	5.1	113	Y48 G60 Y62 V63 D314 S332 D350	Y48-R58 HydrophobicContact CE2-CB 4.1Å; Y48-R58 HydrophobicContact CE2-CG 4.29Å; Y48-R58 WeakPolarHBondContact OH-CG 3.41Å; Y48-R58 PolarHBondContact OH-N 2.95Å; R58-G60 PolarHBondContact NH1-O 3.24Å; R58-Y62 CarbonylContact C-O 3.58Å; R58-Y62 WeakPolarHBondContact CA-O 3.4Å; R58-V63 HydrophobicContact CB-CG2 4.09Å; R58-D314 PolarHBondContact NH1-O 2.9Å; R58-S332 PolarHBondContact NH2-OG 3.32Å; R58-S332 VanDerWaalsContact NH2-OG 3.11Å; R58-D350 IonicContact CZ-OD1 2.65Å; R58-D350 IonicContact CZ-OD2 2.77Å; R58-D350 IonicContact NE-OD1 3.87Å; R58-D350 IonicContact NE-OD2 2.74Å; R58-D350 PolarHBondContact NE-OD2 2.65Å; R58-D350 IonicContact NH2-OD1 2.73Å; R58-D350 PolarHBondContact NH2-OD1 3.46Å; R58-D350 IonicContact NH2-OD2 3.66Å; R58-D350 PolarHBondContact NH2-OD2 3.13Å
59	S	92.2	Very high	94.8	Very high	20 Å²	20	22.6 Å²	22.6	14%	0.14	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	112.9	162.2	-165.2	0	0	0	0	106.6	K61 Y62 F311	S59-K61 PolarHBondContact O-N 2.83Å; S59-Y62 PolarHBondContact N-O 3.14Å; S59-Y62 PolarHBondContact O-N 2.75Å; S59-Y62 VanDerWaalsContact O-N 3.08Å; S59-F311 VanDerWaalsContact OG-CD1 3.28Å; S59-F311 WeakPolarHBondContact OG-CD1 3.44Å
60	G	94.5	Very high	94.4	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.01	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	-126.6	-161.3	0	0	0	0	0	112.3	R58 R310 F311 D314 P316	R58-G60 PolarHBondContact NH1-O 3.24Å; G60-R310 WeakPolarHBondContact CA-O 3.48Å; G60-F311 PolarHBondContact N-O 3.09Å; G60-F311 VanDerWaalsContact N-O 3.07Å; G60-D314 WeakPolarHBondContact CA-O 3.29Å; G60-P316 WeakPolarHBondContact O-CD 3.22Å
61	K	96.3	Very high	94	Very high	60 Å²	60	26.2 Å²	26.2	26%	0.261	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-9.8	173.3	-70	-166.5	171.9	-149.4	0	115.4	W39 S40 H41 S59 S315 P316	W39-K61 HydrophobicContact CD2-CB 4.23Å; W39-K61 HydrophobicContact CE3-CB 4.22Å; W39-K61 HydrophobicContact CH2-CB 3.79Å; W39-K61 HydrophobicContact CZ2-CB 3.78Å; W39-K61 HydrophobicContact CZ2-CD 3.98Å; W39-K61 HydrophobicContact CZ2-CG 4.42Å; W39-K61 HydrophobicContact CZ3-CB 4Å; S40-K61 PolarHBondContact N-O 3.2Å; H41-K61 PolarHBondContact O-NZ 3.18Å; H41-K61 VanDerWaalsContact O-NZ 3.08Å; S59-K61 PolarHBondContact O-N 2.83Å; K61-S315 WeakPolarHBondContact CE-O 3.06Å; K61-P316 HydrophobicContact CG-CB 4.45Å
62	Y	95.4	Very high	93.7	Very high	31 Å²	31	27.1 Å²	27.1	12%	0.122	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	130	176.9	-177.2	-115.2	0	0	0	110.1	F15 G37 R58 S59 Y64 A124	F15-Y62 HydrophobicContact CD2-CE2 4.42Å; G37-Y62 WeakPolarHBondContact CA-OH 3.28Å; G37-Y62 PolarHBondContact N-OH 2.9Å; G37-Y62 VanDerWaalsContact N-OH 3.11Å; R58-Y62 CarbonylContact C-O 3.58Å; R58-Y62 WeakPolarHBondContact CA-O 3.4Å; S59-Y62 PolarHBondContact N-O 3.14Å; S59-Y62 PolarHBondContact O-N 2.75Å; S59-Y62 VanDerWaalsContact O-N 3.08Å; Y62-Y64 HydrophobicContact CD1-CD1 4.28Å; Y62-Y64 HydrophobicContact CE1-CD1 4.47Å; Y62-A124 WeakPolarHBondContact CE1-O 3.43Å
63	V	95.3	Very high	93.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.1	-177.5	-168	0	0	0	0	108.9	G37 M38 M43 W56 R57 R58	G37-V63 CarbonylContact C-O 3.58Å; G37-V63 WeakPolarHBondContact CA-O 3.35Å; M38-V63 HydrophobicContact CG-CB 3.85Å; M38-V63 HydrophobicContact CG-CG2 4.5Å; M38-V63 PolarHBondContact N-O 3.21Å; M38-V63 PolarHBondContact O-N 3.42Å; M43-V63 HydrophobicContact CE-CG2 4.22Å; W56-V63 HydrophobicContact CB-CG1 4.2Å; W56-V63 HydrophobicContact CE3-CG1 3.97Å; R57-V63 CarbonylContact O-C 3.55Å; R57-V63 VanDerWaalsContact O-CA 3.27Å; R57-V63 WeakPolarHBondContact O-CA 2.98Å; R57-V63 WeakPolarHBondContact O-CG1 3.46Å; R58-V63 HydrophobicContact CB-CG2 4.09Å
64	Y	93.4	Very high	93.4	Very high	31 Å²	31	26 Å²	26	12%	0.122	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	157.5	-168.9	65.4	-86	0	0	0	112.4	W56 R57 Y62 F401	W56-Y64 CarbonylContact C-O 3.54Å; W56-Y64 WeakPolarHBondContact CA-O 3.37Å; R57-Y64 HydrophobicContact CB-CE1 3.94Å; R57-Y64 HydrophobicContact CB-CE2 4.11Å; R57-Y64 PolarHBondContact N-O 2.63Å; R57-Y64 VanDerWaalsContact O-CD1 3.3Å; R57-Y64 WeakPolarHBondContact O-CD1 3.4Å; R57-Y64 PolarHBondContact O-N 2.84Å; Y62-Y64 HydrophobicContact CD1-CD1 4.28Å; Y62-Y64 HydrophobicContact CE1-CD1 4.47Å; Y64-F401 HydrophobicContact CE2-CE2 4.11Å; Y64-F401 HydrophobicContact CE2-CZ 4.49Å
65	K	92.8	Very high	93.3	Very high	15 Å²	15	25.6 Å²	25.6	7%	0.065	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	112.7	-179.6	178	162.2	167.4	164.3	0	111	S34 H35 R54 W56 Y426 L497	S34-K65 WeakPolarHBondContact CA-O 3.21Å; H35-K65 PolarHBondContact N-O 3.32Å; R54-K65 VanDerWaalsContact O-CE 3.28Å; R54-K65 WeakPolarHBondContact O-CE 3.5Å; R54-K65 PolarHBondContact O-NZ 3.3Å; W56-K65 HydrophobicContact CD2-CB 3.67Å; W56-K65 HydrophobicContact CD2-CD 4.01Å; W56-K65 HydrophobicContact CD2-CG 4.45Å; W56-K65 HydrophobicContact CE3-CB 3.61Å; W56-K65 HydrophobicContact CG-CB 4.22Å; W56-K65 HydrophobicContact CG-CD 4.14Å; W56-K65 HydrophobicContact CH2-CB 4.24Å; W56-K65 HydrophobicContact CZ2-CB 4.33Å; W56-K65 HydrophobicContact CZ2-CD 4.23Å; W56-K65 HydrophobicContact CZ3-CB 3.89Å; K65-Y426 PolarHBondContact NZ-OH 3.16Å; K65-L497 HydrophobicContact CD-CD2 4.27Å; K65-L497 PolarHBondContact NZ-O 3.36Å; K65-L497 VanDerWaalsContact NZ-O 3.08Å
66	P	91.5	Very high	93.4	Very high	7 Å²	7	25.1 Å²	25.1	5%	0.045	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	138.2	-179.7	-27.7	36.8	0	0	0	114.1	M68 Q75 F401	P66-M68 HydrophobicContact CB-SD 4.41Å; P66-M68 PolarHBondContact O-N 3.49Å; P66-Q75 HydrophobicContact CB-CB 4.3Å; P66-Q75 HydrophobicContact CB-CG 4.45Å; P66-Q75 HydrophobicContact CG-CB 4.08Å; P66-Q75 HydrophobicContact CG-CG 4.33Å; P66-F401 HydrophobicContact CG-CE1 4.47Å; P66-F401 HydrophobicContact CG-CE2 4.22Å; P66-F401 HydrophobicContact CG-CZ 3.79Å
67	I	91.1	Very high	93.4	Very high	14 Å²	14	25.3 Å²	25.3	7%	0.072	12%	0.117	C	C	.	.			trans	-81.5	86.6	172.7	-43	-175.3	0	0	0	108.8	D18 F33 K69 K70 T71	D18-I67 HydrophobicContact CB-CD1 3.95Å; D18-I67 WeakPolarHBondContact OD1-CD1 3.27Å; F33-I67 HydrophobicContact CB-CB 4.09Å; F33-I67 HydrophobicContact CB-CD1 4.13Å; F33-I67 HydrophobicContact CB-CG1 4.14Å; F33-I67 PolarHBondContact O-N 3.04Å; I67-K69 PolarHBondContact O-N 2.9Å; I67-K70 HydrophobicContact CB-CB 4.25Å; I67-K70 HydrophobicContact CD1-CD 4.21Å; I67-K70 HydrophobicContact CG2-CB 4.1Å; I67-K70 HydrophobicContact CG2-CD 4.02Å; I67-K70 HydrophobicContact CG2-CG 3.88Å; I67-K70 PolarHBondContact O-N 3.09Å; I67-T71 PolarHBondContact O-N 2.8Å; I67-T71 PolarHBondContact O-OG1 3.32Å
68	M	90.3	Very high	93.5	Very high	24 Å²	24	24.7 Å²	24.7	12%	0.118	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-28.5	-171.1	-64.6	-67.7	-79.9	0	0	114.8	P66 P74 Q75 Y76 P423 Y443	P66-M68 HydrophobicContact CB-SD 4.41Å; P66-M68 PolarHBondContact O-N 3.49Å; M68-P74 HydrophobicContact CE-CB 3.74Å; M68-P74 WeakPolarHBondContact O-CG 3.3Å; M68-P74 HydrophobicContact SD-CB 4.09Å; M68-Q75 VanDerWaalsContact CE-C 3.49Å; M68-Q75 HydrophobicContact SD-CB 4.3Å; M68-Q75 PolarHBondContact SD-N 3.42Å; M68-Q75 VanDerWaalsContact SD-O 3.4Å; M68-Y76 HydrophobicContact CE-CD1 3.47Å; M68-Y76 VanDerWaalsContact CE-CD1 3.47Å; M68-Y76 HydrophobicContact CE-CD2 3.84Å; M68-Y76 HydrophobicContact CE-CE1 3.52Å; M68-Y76 HydrophobicContact CE-CE2 3.88Å; M68-Y76 HydrophobicContact CE-CG 3.63Å; M68-P423 HydrophobicContact CB-CB 4.29Å; M68-P423 HydrophobicContact CE-CB 4.44Å; M68-P423 HydrophobicContact CG-CB 4.06Å; M68-Y443 HydrophobicContact CB-CD2 3.83Å; M68-Y443 HydrophobicContact CB-CE2 3.57Å; M68-Y443 VanDerWaalsContact O-CD2 3.28Å; M68-Y443 WeakPolarHBondContact O-CD2 3.47Å
69	K	89.9	Confident	93.7	Very high	142 Å²	142	25.4 Å²	25.4	62%	0.617	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-24.3	178.7	-66.4	-177	179.3	-178.9	0	114.2	I67 E424 Y443	I67-K69 PolarHBondContact O-N 2.9Å; K69-E424 WeakPolarHBondContact CE-OE1 3.27Å; K69-E424 IonicContact NZ-OE1 3.37Å; K69-E424 PolarHBondContact NZ-OE1 3.08Å; K69-Y443 HydrophobicContact CD-CE1 4.26Å; K69-Y443 VanDerWaalsContact CE-CZ 3.49Å; K69-Y443 WeakPolarHBondContact CE-OH 3.48Å; K69-Y443 HydrophobicContact CG-CD1 4.13Å; K69-Y443 HydrophobicContact CG-CD2 4.2Å; K69-Y443 HydrophobicContact CG-CE1 3.79Å; K69-Y443 HydrophobicContact CG-CE2 3.85Å; K69-Y443 HydrophobicContact CG-CG 4.32Å
70	K	90.2	Very high	94	Very high	113 Å²	113	24.4 Å²	24.4	49%	0.491	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-35.4	-179.8	-65.5	-175.2	-180	178.7	0	112.4	D18 F33 I67	D18-K70 IonicContact OD2-NZ 3.83Å; D18-K70 PolarHBondContact OD2-NZ 3.01Å; F33-K70 HydrophobicContact CB-CB 3.99Å; F33-K70 HydrophobicContact CD2-CB 3.78Å; F33-K70 HydrophobicContact CE2-CB 4.44Å; F33-K70 HydrophobicContact CG-CB 3.87Å; I67-K70 HydrophobicContact CB-CB 4.25Å; I67-K70 HydrophobicContact CD1-CD 4.21Å; I67-K70 HydrophobicContact CG2-CB 4.1Å; I67-K70 HydrophobicContact CG2-CD 4.02Å; I67-K70 HydrophobicContact CG2-CG 3.88Å; I67-K70 PolarHBondContact O-N 3.09Å
71	T	90.4	Very high	94.2	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.043	12%	0.119	C	C	.	.			trans	-66.7	130.6	-176.6	-72.1	0	0	0	0	112.9	G31 N32 F33 I67 C73 P74	G31-T71 WeakPolarHBondContact O-CA 3.42Å; N32-T71 WeakPolarHBondContact OD1-CG2 3.37Å; F33-T71 PolarHBondContact N-OG1 3.31Å; F33-T71 PolarHBondContact O-OG1 3.39Å; I67-T71 PolarHBondContact O-N 2.8Å; I67-T71 PolarHBondContact O-OG1 3.32Å; T71-C73 WeakPolarHBondContact CG2-O 3.4Å; T71-C73 PolarHBondContact O-N 3.1Å; T71-P74 WeakPolarHBondContact O-CD 3.47Å
72	C	91	Very high	94.2	Very high	19 Å²	19	23.4 Å²	23.4	13%	0.128	11%	0.106	C	C	.	.	S	Bend	trans	-65.6	-20.6	-178.1	65.8	0	0	0	0	114.3	C23 C26 G31	C23-C72 VanDerWaalsContact SG-SG 3.61Å; C26-C72 PolarHBondContact SG-SG 2.99Å; G31-C72 VanDerWaalsContact C-SG 3.56Å; G31-C72 VanDerWaalsContact CA-SG 3.56Å; G31-C72 PolarHBondContact O-N 3.16Å; G31-C72 PolarHBondContact O-SG 3.27Å
73	C	92.8	Very high	94.3	Very high	6 Å²	6	25.5 Å²	25.5	4%	0.041	12%	0.119	C	C	.	.	S	Bend	trans	-130.4	77.8	179.9	-77	0	0	0	0	110.2	Y25 T71 Q75 V403	Y25-C73 HydrophobicContact CD2-CB 3.83Å; Y25-C73 HydrophobicContact CG-CB 4.34Å; T71-C73 WeakPolarHBondContact CG2-O 3.4Å; T71-C73 PolarHBondContact O-N 3.1Å; C73-Q75 WeakPolarHBondContact O-CG 3.46Å; C73-Q75 PolarHBondContact O-N 3Å; C73-V403 HydrophobicContact CB-CG1 3.75Å
74	P	94.8	Very high	94.3	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.019	15%	0.145	C	C	.	.			trans	-57.6	135.6	-174.4	-29	39.3	0	0	0	113.2	M68 T71 Y76 R442	M68-P74 HydrophobicContact CE-CB 3.74Å; M68-P74 WeakPolarHBondContact O-CG 3.3Å; M68-P74 HydrophobicContact SD-CB 4.09Å; T71-P74 WeakPolarHBondContact O-CD 3.47Å; P74-Y76 HydrophobicContact CB-CE2 3.83Å; P74-R442 WeakPolarHBondContact CG-O 3.2Å
75	Q	94.8	Very high	94.5	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.037	14%	0.14	C	C	.	.			trans	-107.5	83.2	-167.1	-58.2	-179.8	52.2	0	0	110.6	Y25 N32 P66 M68 C73 F401 V403	Y25-Q75 HydrophobicContact CE2-CG 3.89Å; N32-Q75 PolarHBondContact OD1-NE2 2.98Å; P66-Q75 HydrophobicContact CB-CB 4.3Å; P66-Q75 HydrophobicContact CB-CG 4.45Å; P66-Q75 HydrophobicContact CG-CB 4.08Å; P66-Q75 HydrophobicContact CG-CG 4.33Å; M68-Q75 VanDerWaalsContact CE-C 3.49Å; M68-Q75 HydrophobicContact SD-CB 4.3Å; M68-Q75 PolarHBondContact SD-N 3.42Å; M68-Q75 VanDerWaalsContact SD-O 3.4Å; C73-Q75 WeakPolarHBondContact O-CG 3.46Å; C73-Q75 PolarHBondContact O-N 3Å; Q75-F401 HydrophobicContact CB-CB 4.12Å; Q75-F401 HydrophobicContact CB-CD1 3.8Å; Q75-F401 HydrophobicContact CB-CD2 4.01Å; Q75-F401 HydrophobicContact CB-CE1 4.1Å; Q75-F401 HydrophobicContact CB-CE2 4.29Å; Q75-F401 HydrophobicContact CB-CG 3.75Å; Q75-F401 HydrophobicContact CB-CZ 4.32Å; Q75-F401 VanDerWaalsContact O-CD1 3.25Å; Q75-F401 WeakPolarHBondContact O-CD1 3.37Å; Q75-F401 WeakPolarHBondContact O-CE1 3.5Å; Q75-V403 HydrophobicContact CB-CG2 4.48Å; Q75-V403 HydrophobicContact CG-CG2 4.12Å
76	Y	97.1	Very high	94.5	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	131.9	-178.6	-61	-90	0	0	0	110.3	M68 P74 I78 F401 Y402 L420 P423 L438 R442 Y443 A444 L446	M68-Y76 HydrophobicContact CE-CD1 3.47Å; M68-Y76 VanDerWaalsContact CE-CD1 3.47Å; M68-Y76 HydrophobicContact CE-CD2 3.84Å; M68-Y76 HydrophobicContact CE-CE1 3.52Å; M68-Y76 HydrophobicContact CE-CE2 3.88Å; M68-Y76 HydrophobicContact CE-CG 3.63Å; P74-Y76 HydrophobicContact CB-CE2 3.83Å; Y76-I78 PolarHBondContact O-N 3.25Å; Y76-F401 CarbonylContact O-C 3.43Å; Y76-F401 WeakPolarHBondContact O-CA 3.44Å; Y76-Y402 PolarHBondContact N-O 3.1Å; Y76-Y402 PolarHBondContact O-N 3.36Å; Y76-L420 HydrophobicContact CG-CD1 4.49Å; Y76-P423 HydrophobicContact CE1-CG 4.02Å; Y76-L438 HydrophobicContact CD2-CD1 4.48Å; Y76-L438 HydrophobicContact CE1-CD2 4.38Å; Y76-L438 HydrophobicContact CE2-CD1 4.31Å; Y76-L438 HydrophobicContact CE2-CD2 3.59Å; Y76-L438 VanDerWaalsContact OH-CD2 3.32Å; Y76-L438 WeakPolarHBondContact OH-CD2 3.45Å; Y76-R442 PolarHBondContact OH-O 2.83Å; Y76-Y443 WeakPolarHBondContact OH-CA 3.45Å; Y76-A444 PolarHBondContact OH-N 2.69Å; Y76-L446 HydrophobicContact CD1-CD1 3.66Å; Y76-L446 HydrophobicContact CD1-CG 4.35Å; Y76-L446 HydrophobicContact CE1-CD1 3.94Å; Y76-L446 HydrophobicContact CE1-CD2 4.28Å; Y76-L446 HydrophobicContact CE1-CG 4.12Å
77	T	97.6	Very high	94.7	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.018	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	134.1	166.5	-70.9	0	0	0	0	109.3	R57 Y398 L420 L421 W428	R57-T77 PolarHBondContact NH1-OG1 3.04Å; R57-T77 VanDerWaalsContact NH1-OG1 3.15Å; R57-T77 VanDerWaalsContact NH2-CB 3.31Å; R57-T77 PolarHBondContact NH2-OG1 2.9Å; T77-Y398 HydrophobicContact CG2-CD2 4.21Å; T77-Y398 HydrophobicContact CG2-CE2 4.24Å; T77-L420 WeakPolarHBondContact O-CA 3.41Å; T77-L421 HydrophobicContact CG2-CB 4.16Å; T77-L421 HydrophobicContact CG2-CD2 4.43Å; T77-L421 PolarHBondContact O-N 3.47Å; T77-W428 HydrophobicContact CG2-CH2 3.31Å; T77-W428 HydrophobicContact CG2-CZ2 4.31Å; T77-W428 HydrophobicContact CG2-CZ3 3.75Å
78	I	98.3	Very high	94.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.3	175.4	-178.3	165	0	0	0	111.2	Y76 L399 G400 Y402 K412 A418 D419 L420 V431	Y76-I78 PolarHBondContact O-N 3.25Å; I78-L399 HydrophobicContact CG2-CB 4.03Å; I78-L399 PolarHBondContact O-N 2.89Å; I78-L399 VanDerWaalsContact O-N 3.14Å; I78-G400 PolarHBondContact N-O 2.97Å; I78-Y402 HydrophobicContact CD1-CD2 4.22Å; I78-Y402 HydrophobicContact CD1-CG 4.41Å; I78-K412 HydrophobicContact CD1-CB 4.05Å; I78-K412 WeakPolarHBondContact CD1-O 3.48Å; I78-K412 HydrophobicContact CG2-CB 4.34Å; I78-K412 HydrophobicContact CG2-CD 4.39Å; I78-A418 HydrophobicContact CD1-CB 4.49Å; I78-D419 WeakPolarHBondContact CA-O 3.29Å; I78-L420 HydrophobicContact CB-CD2 3.66Å; I78-L420 HydrophobicContact CD1-CD2 3.88Å; I78-L420 HydrophobicContact CG1-CD2 3.84Å; I78-V431 HydrophobicContact CD1-CG2 4.1Å
79	R	98.2	Very high	95	Very high	26 Å²	26	43.5 Å²	43.5	10%	0.098	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.2	171.2	73.2	-178.4	-174.6	-177.9	2.5	111.3	Y396 Y397 Y398 A418 D419 W428	R79-Y396 HydrophobicContact CG-CD1 4.2Å; R79-Y397 CarbonylContact C-O 3.49Å; R79-Y397 WeakPolarHBondContact CA-O 3.37Å; R79-Y398 HydrophobicContact CB-CD1 3.61Å; R79-Y398 HydrophobicContact CB-CE1 3.63Å; R79-Y398 HydrophobicContact CB-CG 4.08Å; R79-Y398 HydrophobicContact CG-CE1 4.43Å; R79-A418 CarbonylContact O-C 3.51Å; R79-A418 WeakPolarHBondContact O-CA 3.47Å; R79-A418 VanDerWaalsContact O-CB 3.23Å; R79-A418 WeakPolarHBondContact O-CB 3.19Å; R79-D419 HydrophobicContact CG-CB 4.14Å; R79-D419 IonicContact CZ-OD2 3.81Å; R79-D419 VanDerWaalsContact CZ-OD2 3.29Å; R79-D419 PolarHBondContact N-O 3.03Å; R79-D419 IonicContact NE-OD2 3.93Å; R79-D419 PolarHBondContact NE-OD2 3.01Å; R79-D419 IonicContact NH2-OD2 3.32Å; R79-D419 PolarHBondContact NH2-OD2 2.9Å; R79-D419 PolarHBondContact O-N 2.89Å; R79-W428 HydrophobicContact CB-CH2 4.04Å; R79-W428 HydrophobicContact CB-CZ3 3.95Å; R79-W428 HydrophobicContact CG-CD2 4.43Å; R79-W428 HydrophobicContact CG-CE3 3.81Å; R79-W428 HydrophobicContact CG-CH2 3.88Å; R79-W428 HydrophobicContact CG-CZ3 3.49Å; R79-W428 VanDerWaalsContact CG-CZ3 3.49Å; R79-W428 VanDerWaalsContact CZ-CD2 3.47Å
80	C	98.4	Very high	95.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138.3	170.8	174.6	0	0	0	0	109.3	A82 Y396 Y397 L399 Y415	C80-A82 PolarHBondContact O-N 3.22Å; C80-A82 VanDerWaalsContact O-N 3.13Å; C80-Y396 WeakPolarHBondContact O-CA 3.43Å; C80-Y397 HydrophobicContact CB-CD1 4.42Å; C80-Y397 PolarHBondContact N-O 3.08Å; C80-Y397 PolarHBondContact O-N 2.81Å; C80-L399 HydrophobicContact CB-CD1 3.89Å; C80-Y415 PolarHBondContact SG-O 3.19Å
81	H	98.3	Very high	95.4	Very high	39 Å²	39	34 Å²	34	18%	0.181	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	94.3	170.9	-69.4	-110.8	0	0	0	108.6	L83 N84 F85 Y396 P417 D419	H81-L83 PolarHBondContact O-N 3.24Å; H81-N84 HydrophobicContact CB-CB 4.16Å; H81-N84 PolarHBondContact O-N 3.06Å; H81-N84 VanDerWaalsContact O-N 3.13Å; H81-F85 PolarHBondContact O-N 3.25Å; H81-Y396 AromaticContact CE1-CE1 3.7Å; H81-Y396 AromaticContact ND1-CE1 3.7Å; H81-P417 HydrophobicContact CB-CG 4.05Å; H81-P417 PolarHBondContact CD2-O 3.37Å; H81-P417 PolarHBondContact N-O 2.92Å; H81-D419 IonicContact CD2-OD1 3.08Å; H81-D419 IonicContact CD2-OD2 2.79Å; H81-D419 IonicContact CE1-OD2 3.03Å; H81-D419 VanDerWaalsContact NE2-CG 3.31Å; H81-D419 IonicContact NE2-OD1 3.8Å; H81-D419 PolarHBondContact NE2-OD1 3.15Å; H81-D419 IonicContact NE2-OD2 2.69Å; H81-D419 PolarHBondContact NE2-OD2 2.84Å
82	A	97.4	Very high	95.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-43.2	-166.4	0	0	0	0	0	112.3	C80 N84 F85 I381 T384 R385 C395	C80-A82 PolarHBondContact O-N 3.22Å; C80-A82 VanDerWaalsContact O-N 3.13Å; A82-N84 VanDerWaalsContact C-N 3.31Å; A82-N84 PolarHBondContact O-N 2.82Å; A82-F85 WeakPolarHBondContact O-CB 3.16Å; A82-F85 PolarHBondContact O-N 3.29Å; A82-I381 HydrophobicContact CB-CG2 4.2Å; A82-T384 HydrophobicContact CB-CG2 3.54Å; A82-R385 HydrophobicContact CB-CG 4.35Å; A82-R385 PolarHBondContact O-NE 3.4Å; A82-R385 PolarHBondContact O-NH2 2.79Å; A82-C395 WeakPolarHBondContact CB-O 3.45Å; A82-C395 PolarHBondContact N-O 3.2Å
83	L	96.4	Very high	95.8	Very high	75 Å²	75	41 Å²	41	39%	0.393	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-41.5	177.8	-59.4	-178.4	0	0	0	112.6	H81 R385 Q388	H81-L83 PolarHBondContact O-N 3.24Å; L83-R385 HydrophobicContact CD2-CG 4.27Å; L83-R385 PolarHBondContact O-NH2 3.33Å; L83-Q388 HydrophobicContact CD1-CG 4.07Å; L83-Q388 HydrophobicContact CD2-CB 4.11Å; L83-Q388 HydrophobicContact CD2-CG 3.91Å; L83-Q388 HydrophobicContact CG-CG 4.31Å
84	N	96.6	Very high	95.9	Very high	103 Å²	103	41.8 Å²	41.8	55%	0.551	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-7.7	-174.7	-63.9	-28.7	0	0	0	113.8	H81 A82 P417	H81-N84 HydrophobicContact CB-CB 4.16Å; H81-N84 PolarHBondContact O-N 3.06Å; H81-N84 VanDerWaalsContact O-N 3.13Å; A82-N84 VanDerWaalsContact C-N 3.31Å; A82-N84 PolarHBondContact O-N 2.82Å; N84-P417 HydrophobicContact CB-CG 3.63Å; N84-P417 WeakPolarHBondContact O-CD 3.37Å
85	F	97.2	Very high	95.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.			trans	-59.3	138.2	-178.2	171.6	-102.1	0	0	0	113.1	H81 A82 P87 H91 L247 L378 I381 R385 Y415 R416	H81-F85 PolarHBondContact O-N 3.25Å; A82-F85 WeakPolarHBondContact O-CB 3.16Å; A82-F85 PolarHBondContact O-N 3.29Å; F85-P87 HydrophobicContact CE1-CB 4.49Å; F85-P87 HydrophobicContact CE1-CG 3.92Å; F85-H91 AromaticContact CE2-CE1 3.84Å; F85-H91 AromaticContact CE2-ND1 3.71Å; F85-H91 AromaticContact CZ-CE1 3.92Å; F85-H91 AromaticContact CZ-ND1 3.39Å; F85-H91 WeakPolarHBondContact CZ-ND1 3.22Å; F85-L247 HydrophobicContact CD1-CD2 3.99Å; F85-L247 HydrophobicContact CE1-CD1 4.49Å; F85-L247 HydrophobicContact CE1-CD2 3.98Å; F85-L378 HydrophobicContact CE1-CD2 3.68Å; F85-L378 HydrophobicContact CZ-CD2 3.46Å; F85-L378 VanDerWaalsContact CZ-CD2 3.46Å; F85-I381 HydrophobicContact CB-CG2 4.09Å; F85-I381 HydrophobicContact CD1-CD1 4.13Å; F85-I381 HydrophobicContact CD1-CG2 3.73Å; F85-I381 HydrophobicContact CD2-CD1 4.09Å; F85-I381 HydrophobicContact CE1-CD1 4.14Å; F85-I381 HydrophobicContact CE1-CG2 4.43Å; F85-I381 HydrophobicContact CE2-CD1 4.13Å; F85-I381 HydrophobicContact CG-CD1 4.08Å; F85-I381 HydrophobicContact CG-CG2 4.06Å; F85-I381 HydrophobicContact CZ-CD1 4.13Å; F85-R385 PolarHBondContact O-NH2 3Å; F85-Y415 AromaticContact CE2-CD1 3.8Å; F85-Y415 HydrophobicContact CE2-CD1 3.8Å; F85-Y415 HydrophobicContact CE2-CG 4.39Å; F85-Y415 HydrophobicContact CZ-CD1 4.11Å; F85-R416 WeakPolarHBondContact CA-O 3.39Å; F85-R416 WeakPolarHBondContact CD2-O 3.04Å
86	Q	93.3	Very high	95.7	Very high	128 Å²	128	47.2 Å²	47.2	60%	0.598	23%	0.228	S	C	*	.			trans	-127.3	124.3	175.4	-71.3	-65.7	-10	0	0	111.7	S88	Q86-S88 PolarHBondContact O-N 2.89Å; Q86-S88 VanDerWaalsContact O-N 3.16Å
87	P	94.9	Very high	95.4	Very high	5 Å²	5	49 Å²	49	3%	0.032	24%	0.236	C	C	.	.			trans	-61	119.7	179.8	-24.5	33.7	0	0	0	112.5	F85 H91 K92 L247	F85-P87 HydrophobicContact CE1-CB 4.49Å; F85-P87 HydrophobicContact CE1-CG 3.92Å; P87-H91 HydrophobicContact CB-CB 4.07Å; P87-K92 HydrophobicContact CB-CD 4.44Å; P87-K92 HydrophobicContact CB-CG 3.99Å; P87-K92 WeakPolarHBondContact O-CE 3.28Å; P87-K92 PolarHBondContact O-NZ 3.04Å; P87-L247 HydrophobicContact CG-CB 3.93Å; P87-L247 HydrophobicContact CG-CD1 4.07Å
88	S	94.3	Very high	95.1	Very high	39 Å²	39	49 Å²	49	27%	0.273	24%	0.235	S	C	.	.			trans	-68.6	176.5	174.6	76.2	0	0	0	0	111.7	Q86 S90 H91 K92	Q86-S88 PolarHBondContact O-N 2.89Å; Q86-S88 VanDerWaalsContact O-N 3.16Å; S88-S90 VanDerWaalsContact C-N 3.3Å; S88-S90 PolarHBondContact O-N 3.14Å; S88-S90 PolarHBondContact OG-N 2.43Å; S88-S90 PolarHBondContact OG-OG 2.71Å; S88-H91 PolarHBondContact N-ND1 3.19Å; S88-H91 PolarHBondContact O-N 2.72Å; S88-H91 PolarHBondContact OG-N 2.83Å; S88-H91 VanDerWaalsContact OG-N 3.13Å; S88-H91 PolarHBondContact OG-ND1 2.77Å; S88-K92 WeakPolarHBondContact O-CB 3.12Å; S88-K92 WeakPolarHBondContact O-CG 3.35Å; S88-K92 PolarHBondContact O-N 3.31Å
89	K	93.4	Very high	94.6	Very high	195 Å²	195	49.5 Å²	49.5	85%	0.848	24%	0.238	S	C	*	.	H	α-helix	trans	-62.1	-35.4	173.5	-67.5	179.9	-177	172.9	0	112.5	K93	K89-K93 PolarHBondContact O-N 3.06Å
90	S	93.3	Very high	94.1	Very high	51 Å²	51	52.8 Å²	52.8	36%	0.357	25%	0.253	S	S	.	.	H	α-helix	trans	-71	-45.1	175.8	48.9	0	0	0	0	111.3	S88 K92 K93 I94	S88-S90 VanDerWaalsContact C-N 3.3Å; S88-S90 PolarHBondContact O-N 3.14Å; S88-S90 PolarHBondContact OG-N 2.43Å; S88-S90 PolarHBondContact OG-OG 2.71Å; S90-K92 VanDerWaalsContact C-N 3.3Å; S90-K92 PolarHBondContact O-N 3.5Å; S90-K93 WeakPolarHBondContact O-CA 3.49Å; S90-K93 WeakPolarHBondContact O-CB 3.5Å; S90-K93 PolarHBondContact O-N 2.97Å; S90-I94 PolarHBondContact O-N 2.98Å
91	H	95.4	Very high	93.7	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.019	26%	0.258	C	S	.	.	H	α-helix	trans	-57.9	-43.5	175	-57.4	159.1	0	0	0	111.2	F85 P87 S88 K93 I94 L95 L378	F85-H91 AromaticContact CE2-CE1 3.84Å; F85-H91 AromaticContact CE2-ND1 3.71Å; F85-H91 AromaticContact CZ-CE1 3.92Å; F85-H91 AromaticContact CZ-ND1 3.39Å; F85-H91 WeakPolarHBondContact CZ-ND1 3.22Å; P87-H91 HydrophobicContact CB-CB 4.07Å; S88-H91 PolarHBondContact N-ND1 3.19Å; S88-H91 PolarHBondContact O-N 2.72Å; S88-H91 PolarHBondContact OG-N 2.83Å; S88-H91 VanDerWaalsContact OG-N 3.13Å; S88-H91 PolarHBondContact OG-ND1 2.77Å; H91-K93 PolarHBondContact O-N 3.21Å; H91-I94 PolarHBondContact O-N 3.4Å; H91-L95 WeakPolarHBondContact O-CG 3.37Å; H91-L95 PolarHBondContact O-N 3.45Å; H91-L378 HydrophobicContact CB-CD1 3.98Å; H91-L378 HydrophobicContact CB-CD2 3.94Å
92	K	94.9	Very high	93.1	Very high	59 Å²	59	52.4 Å²	52.4	26%	0.257	25%	0.251	S	S	.	.	H	α-helix	trans	-66	-31	174.3	-73.7	165.4	168.3	141.2	0	113.6	P87 S88 S90 K96 F250	P87-K92 HydrophobicContact CB-CD 4.44Å; P87-K92 HydrophobicContact CB-CG 3.99Å; P87-K92 WeakPolarHBondContact O-CE 3.28Å; P87-K92 PolarHBondContact O-NZ 3.04Å; S88-K92 WeakPolarHBondContact O-CB 3.12Å; S88-K92 WeakPolarHBondContact O-CG 3.35Å; S88-K92 PolarHBondContact O-N 3.31Å; S90-K92 VanDerWaalsContact C-N 3.3Å; S90-K92 PolarHBondContact O-N 3.5Å; K92-K96 WeakPolarHBondContact O-CB 3.28Å; K92-K96 VanDerWaalsContact O-CG 3.28Å; K92-K96 WeakPolarHBondContact O-CG 3.41Å; K92-K96 PolarHBondContact O-N 2.77Å; K92-F250 HydrophobicContact CD-CE2 4.14Å; K92-F250 HydrophobicContact CD-CZ 4.17Å; K92-F250 VanDerWaalsContact CE-CE2 3.43Å; K92-F250 HydrophobicContact CG-CD2 4.48Å; K92-F250 HydrophobicContact CG-CE2 3.89Å; K92-F250 HydrophobicContact CG-CZ 3.94Å
93	K	94.1	Very high	92.5	Very high	115 Å²	115	56 Å²	56	50%	0.5	28%	0.276	S	S	.	.	H	α-helix	trans	-64.2	-45.4	171.1	-173.1	-173.3	177.1	-170.1	0	110	K89 S90 H91 K97 D113	K89-K93 PolarHBondContact O-N 3.06Å; S90-K93 WeakPolarHBondContact O-CA 3.49Å; S90-K93 WeakPolarHBondContact O-CB 3.5Å; S90-K93 PolarHBondContact O-N 2.97Å; H91-K93 PolarHBondContact O-N 3.21Å; K93-K97 VanDerWaalsContact O-CB 3.32Å; K93-K97 WeakPolarHBondContact O-CB 3.43Å; K93-K97 PolarHBondContact O-N 2.93Å; K93-D113 IonicContact NZ-OD2 3.64Å; K93-D113 PolarHBondContact NZ-OD2 3.19Å
94	I	94.5	Very high	91.8	Very high	21 Å²	21	59.4 Å²	59.4	11%	0.108	29%	0.288	C	S	.	.	H	α-helix	trans	-65.4	-48.6	-179.4	-65.5	153	0	0	0	111.4	S90 H91 K96 K97 M98	S90-I94 PolarHBondContact O-N 2.98Å; H91-I94 PolarHBondContact O-N 3.4Å; I94-K96 PolarHBondContact O-N 3.43Å; I94-K97 WeakPolarHBondContact O-CA 3.38Å; I94-K97 VanDerWaalsContact O-CB 3.3Å; I94-K97 WeakPolarHBondContact O-CB 3.43Å; I94-K97 PolarHBondContact O-N 3.22Å; I94-M98 PolarHBondContact O-N 3.17Å
95	L	93.7	Very high	90.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.3	-47.3	177.2	-69.8	159.3	0	0	0	111.4	H91 K97 M98 N99 L247 F250 I251 Y375 L378	H91-L95 WeakPolarHBondContact O-CG 3.37Å; H91-L95 PolarHBondContact O-N 3.45Å; L95-K97 VanDerWaalsContact C-N 3.31Å; L95-K97 PolarHBondContact O-N 2.91Å; L95-M98 PolarHBondContact O-N 3.48Å; L95-N99 VanDerWaalsContact O-CG 3.28Å; L95-N99 PolarHBondContact O-N 2.94Å; L95-N99 PolarHBondContact O-OD1 3.15Å; L95-L247 HydrophobicContact CD1-CD1 3.97Å; L95-L247 HydrophobicContact CD2-CD1 4.48Å; L95-F250 HydrophobicContact CB-CB 4.21Å; L95-F250 HydrophobicContact CD1-CB 3.81Å; L95-F250 HydrophobicContact CD1-CD2 4.44Å; L95-F250 HydrophobicContact CD1-CG 4.17Å; L95-F250 HydrophobicContact CD2-CB 4.44Å; L95-F250 HydrophobicContact CG-CB 4.36Å; L95-I251 HydrophobicContact CD2-CG1 3.94Å; L95-Y375 HydrophobicContact CD2-CD2 4.3Å; L95-Y375 HydrophobicContact CD2-CE2 4.1Å; L95-L378 HydrophobicContact CD1-CD1 4.13Å; L95-L378 HydrophobicContact CD2-CD1 4.2Å; L95-L378 HydrophobicContact CG-CD1 3.91Å
96	K	91.5	Very high	89.7	Confident	126 Å²	126	59.7 Å²	59.7	55%	0.548	30%	0.297	S	S	.	.	H	α-helix	trans	-65.1	-31.8	175.3	-70.6	-179	177.9	-162.7	0	113.7	K92 I94 K100	K92-K96 WeakPolarHBondContact O-CB 3.28Å; K92-K96 VanDerWaalsContact O-CG 3.28Å; K92-K96 WeakPolarHBondContact O-CG 3.41Å; K92-K96 PolarHBondContact O-N 2.77Å; I94-K96 PolarHBondContact O-N 3.43Å; K96-K100 WeakPolarHBondContact O-CB 3.42Å; K96-K100 PolarHBondContact O-N 3.14Å
97	K	91.1	Very high	88.8	Confident	40 Å²	40	57.4 Å²	57.4	17%	0.174	29%	0.289	C	S	.	.	H	α-helix	trans	-64.4	-47	175.2	-164.7	176.9	-165.4	175.4	0	110.2	K93 I94 L95 Y101 P108 S369 L370	K93-K97 VanDerWaalsContact O-CB 3.32Å; K93-K97 WeakPolarHBondContact O-CB 3.43Å; K93-K97 PolarHBondContact O-N 2.93Å; I94-K97 WeakPolarHBondContact O-CA 3.38Å; I94-K97 VanDerWaalsContact O-CB 3.3Å; I94-K97 WeakPolarHBondContact O-CB 3.43Å; I94-K97 PolarHBondContact O-N 3.22Å; L95-K97 VanDerWaalsContact C-N 3.31Å; L95-K97 PolarHBondContact O-N 2.91Å; K97-Y101 PolarHBondContact O-N 3.11Å; K97-Y101 VanDerWaalsContact O-N 3.16Å; K97-P108 HydrophobicContact CD-CG 4.23Å; K97-P108 VanDerWaalsContact CE-CG 3.48Å; K97-P108 HydrophobicContact CG-CG 3.69Å; K97-S369 WeakPolarHBondContact CE-O 3.48Å; K97-S369 PolarHBondContact NZ-O 2.8Å; K97-L370 HydrophobicContact CG-CD2 4.45Å
98	M	91.4	Very high	87.4	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-64	-48.8	175.7	-167	68.6	-176.5	0	0	111.5	I94 L95 K100 Y101 I102 L263 L370 L372 Y375	I94-M98 PolarHBondContact O-N 3.17Å; L95-M98 PolarHBondContact O-N 3.48Å; M98-K100 VanDerWaalsContact C-N 3.34Å; M98-K100 PolarHBondContact O-N 3.3Å; M98-Y101 WeakPolarHBondContact O-CA 3.47Å; M98-Y101 WeakPolarHBondContact O-CB 3.24Å; M98-Y101 PolarHBondContact O-N 2.9Å; M98-I102 HydrophobicContact CE-CD1 4.14Å; M98-I102 HydrophobicContact CE-CG1 4.22Å; M98-I102 HydrophobicContact CG-CD1 3.77Å; M98-I102 HydrophobicContact CG-CG1 4.33Å; M98-I102 WeakPolarHBondContact O-CG1 3.33Å; M98-I102 PolarHBondContact O-N 3.13Å; M98-L263 HydrophobicContact CE-CD1 4.19Å; M98-L263 HydrophobicContact CE-CD2 3.84Å; M98-L370 HydrophobicContact CE-CD1 4.45Å; M98-L370 HydrophobicContact SD-CB 4.32Å; M98-L370 HydrophobicContact SD-CD1 3.73Å; M98-L372 HydrophobicContact SD-CD2 4.38Å; M98-Y375 HydrophobicContact CB-CD2 3.92Å; M98-Y375 HydrophobicContact CB-CE2 3.75Å; M98-Y375 HydrophobicContact CE-CE1 4.33Å; M98-Y375 HydrophobicContact CG-CD1 4.5Å; M98-Y375 HydrophobicContact CG-CD2 4Å; M98-Y375 HydrophobicContact CG-CE1 4.14Å; M98-Y375 HydrophobicContact CG-CE2 3.59Å; M98-Y375 HydrophobicContact CG-CG 4.44Å
99	N	88.8	Confident	85.7	Confident	12 Å²	12	61 Å²	61	6%	0.064	32%	0.319	C	S	.	.	H	α-helix	trans	-61.9	-40.2	179.8	-63.9	6.1	0	0	0	111.8	L95 Y101 I102 S103 F250	L95-N99 VanDerWaalsContact O-CG 3.28Å; L95-N99 PolarHBondContact O-N 2.94Å; L95-N99 PolarHBondContact O-OD1 3.15Å; N99-Y101 VanDerWaalsContact C-N 3.28Å; N99-Y101 PolarHBondContact O-N 3.36Å; N99-I102 PolarHBondContact O-N 3.29Å; N99-S103 WeakPolarHBondContact O-CB 3.38Å; N99-S103 PolarHBondContact O-N 3.27Å; N99-S103 PolarHBondContact O-OG 2.88Å; N99-S103 VanDerWaalsContact O-OG 3.1Å; N99-F250 PolarHBondContact ND2-O 3.35Å
100	K	88.3	Confident	83.7	Confident	95 Å²	95	56.3 Å²	56.3	41%	0.413	32%	0.316	S	S	.	.	H	α-helix	trans	-58.8	-42	173.7	-166.1	-153.7	171.7	-153.1	0	111.2	K96 M98 S103 K104 D106	K96-K100 WeakPolarHBondContact O-CB 3.42Å; K96-K100 PolarHBondContact O-N 3.14Å; M98-K100 VanDerWaalsContact C-N 3.34Å; M98-K100 PolarHBondContact O-N 3.3Å; K100-S103 PolarHBondContact O-N 3.1Å; K100-K104 HydrophobicContact CG-CD 4.49Å; K100-K104 WeakPolarHBondContact O-CB 3.5Å; K100-K104 PolarHBondContact O-N 2.86Å; K100-D106 WeakPolarHBondContact CE-OD2 3.15Å; K100-D106 IonicContact NZ-OD2 2.83Å; K100-D106 PolarHBondContact NZ-OD2 3.24Å
101	Y	88.6	Confident	81.5	Confident	22 Å²	22	59.6 Å²	59.6	9%	0.086	33%	0.326	C	S	.	.	H	α-helix	trans	-64.7	-46.7	176.8	179.3	-108.4	0	0	0	112	K97 M98 N99 S103 K104 G105 L107 R262 L339 F367 L370	K97-Y101 PolarHBondContact O-N 3.11Å; K97-Y101 VanDerWaalsContact O-N 3.16Å; M98-Y101 WeakPolarHBondContact O-CA 3.47Å; M98-Y101 WeakPolarHBondContact O-CB 3.24Å; M98-Y101 PolarHBondContact O-N 2.9Å; N99-Y101 VanDerWaalsContact C-N 3.28Å; N99-Y101 PolarHBondContact O-N 3.36Å; Y101-S103 VanDerWaalsContact C-N 3.32Å; Y101-S103 PolarHBondContact O-N 3.29Å; Y101-K104 PolarHBondContact O-N 2.93Å; Y101-G105 WeakPolarHBondContact CD2-O 3.45Å; Y101-G105 VanDerWaalsContact CE2-O 3.24Å; Y101-G105 WeakPolarHBondContact CE2-O 3.39Å; Y101-G105 WeakPolarHBondContact O-CA 3.44Å; Y101-G105 PolarHBondContact O-N 3.29Å; Y101-L107 HydrophobicContact CD2-CD2 3.84Å; Y101-L107 HydrophobicContact CD2-CG 4.12Å; Y101-L107 HydrophobicContact CE2-CD2 3.6Å; Y101-L107 HydrophobicContact CE2-CG 3.67Å; Y101-R262 PolarHBondContact O-NH1 3.5Å; Y101-R262 VanDerWaalsContact O-NH1 3.15Å; Y101-R262 PolarHBondContact O-NH2 2.87Å; Y101-L339 HydrophobicContact CD1-CD1 4.34Å; Y101-L339 HydrophobicContact CE1-CD1 3.75Å; Y101-L339 HydrophobicContact CE1-CD2 3.76Å; Y101-L339 HydrophobicContact CE1-CG 4.44Å; Y101-L339 WeakPolarHBondContact OH-CD2 3.49Å; Y101-F367 HydrophobicContact CE1-CD1 4.17Å; Y101-F367 AromaticContact CE1-CE1 3.83Å; Y101-F367 HydrophobicContact CE1-CE1 3.83Å; Y101-F367 AromaticContact CZ-CE1 3.86Å; Y101-F367 WeakPolarHBondContact OH-CE1 3.3Å; Y101-L370 HydrophobicContact CD1-CD1 3.48Å; Y101-L370 VanDerWaalsContact CD1-CD1 3.48Å; Y101-L370 HydrophobicContact CE1-CD1 3.92Å; Y101-L370 HydrophobicContact CG-CD1 3.87Å; Y101-L370 HydrophobicContact CG-CD2 4.08Å
102	I	86.8	Confident	78.7	Confident	9 Å²	9	68.8 Å²	68.8	5%	0.046	37%	0.369	C	S	.	.	H	α-helix	trans	-63.3	-33.1	177.2	-61.9	164.7	0	0	0	112.1	M98 N99 R262 L263	M98-I102 HydrophobicContact CE-CD1 4.14Å; M98-I102 HydrophobicContact CE-CG1 4.22Å; M98-I102 HydrophobicContact CG-CD1 3.77Å; M98-I102 HydrophobicContact CG-CG1 4.33Å; M98-I102 WeakPolarHBondContact O-CG1 3.33Å; M98-I102 PolarHBondContact O-N 3.13Å; N99-I102 PolarHBondContact O-N 3.29Å; I102-R262 VanDerWaalsContact C-NH1 3.33Å; I102-R262 HydrophobicContact CG2-CB 3.97Å; I102-R262 VanDerWaalsContact O-CD 3.28Å; I102-R262 WeakPolarHBondContact O-CD 3.14Å; I102-R262 PolarHBondContact O-NE 3.28Å; I102-R262 PolarHBondContact O-NH1 3.4Å; I102-L263 HydrophobicContact CD1-CB 4Å; I102-L263 HydrophobicContact CD1-CD2 3.64Å; I102-L263 HydrophobicContact CD1-CG 4.44Å; I102-L263 HydrophobicContact CG1-CB 4.2Å; I102-L263 HydrophobicContact CG1-CD2 4.49Å
103	S	83.4	Confident	75.8	Confident	75 Å²	75	71.1 Å²	71.1	52%	0.524	38%	0.384	S	S	.	.	H	α-helix	trans	-87.2	-30.2	178.5	-54	0	0	0	0	113.9	N99 K100 Y101	N99-S103 WeakPolarHBondContact O-CB 3.38Å; N99-S103 PolarHBondContact O-N 3.27Å; N99-S103 PolarHBondContact O-OG 2.88Å; N99-S103 VanDerWaalsContact O-OG 3.1Å; K100-S103 PolarHBondContact O-N 3.1Å; Y101-S103 VanDerWaalsContact C-N 3.32Å; Y101-S103 PolarHBondContact O-N 3.29Å
104	K	82	Confident	73.3	Confident	147 Å²	147	68.6 Å²	68.6	64%	0.639	39%	0.39	S	S	*	.	H	α-helix	trans	-122.2	-16.8	-168.9	-57.9	-162.9	174.5	-159.3	0	116.5	K100 Y101 D106	K100-K104 HydrophobicContact CG-CD 4.49Å; K100-K104 WeakPolarHBondContact O-CB 3.5Å; K100-K104 PolarHBondContact O-N 2.86Å; Y101-K104 PolarHBondContact O-N 2.93Å; K104-D106 PolarHBondContact O-N 3.28Å
105	G	78.3	Confident	70.6	Confident	34 Å²	34	74.6 Å²	74.6	35%	0.351	42%	0.418	S	S	.	.			trans	79.8	-14.7	-175.4	0	0	0	0	0	114.2	Y101 L107	Y101-G105 WeakPolarHBondContact CD2-O 3.45Å; Y101-G105 VanDerWaalsContact CE2-O 3.24Å; Y101-G105 WeakPolarHBondContact CE2-O 3.39Å; Y101-G105 WeakPolarHBondContact O-CA 3.44Å; Y101-G105 PolarHBondContact O-N 3.29Å; G105-L107 PolarHBondContact O-N 3.04Å
106	D	72.4	Confident	68.2	Low	75 Å²	75	76.4 Å²	76.4	40%	0.401	43%	0.43	S	S	.	.			trans	-57.8	97.9	175.3	-64.6	-12.1	0	0	0	112.4	K100 K104 P108	K100-D106 WeakPolarHBondContact CE-OD2 3.15Å; K100-D106 IonicContact NZ-OD2 2.83Å; K100-D106 PolarHBondContact NZ-OD2 3.24Å; K104-D106 PolarHBondContact O-N 3.28Å; D106-P108 VanDerWaalsContact O-CD 3.28Å; D106-P108 WeakPolarHBondContact O-CD 2.98Å
107	L	73.1	Confident	65.9	Low	80 Å²	80	72.9 Å²	72.9	42%	0.419	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-61.2	122.5	160	-80.9	176.6	0	0	0	108.1	Y101 G105 A109 L370	Y101-L107 HydrophobicContact CD2-CD2 3.84Å; Y101-L107 HydrophobicContact CD2-CG 4.12Å; Y101-L107 HydrophobicContact CE2-CD2 3.6Å; Y101-L107 HydrophobicContact CE2-CG 3.67Å; G105-L107 PolarHBondContact O-N 3.04Å; L107-A109 PolarHBondContact O-N 3.39Å; L107-L370 HydrophobicContact CD2-CD1 4.33Å; L107-L370 HydrophobicContact CD2-CD2 4.24Å; L107-L370 HydrophobicContact CD2-CG 4.2Å
108	P	65.3	Low	63.1	Low	32 Å²	32	72 Å²	72	21%	0.208	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-64.7	135.7	177.4	-23.5	37.2	0	0	0	109.8	K97 D106 A110 L370	K97-P108 HydrophobicContact CD-CG 4.23Å; K97-P108 VanDerWaalsContact CE-CG 3.48Å; K97-P108 HydrophobicContact CG-CG 3.69Å; D106-P108 VanDerWaalsContact O-CD 3.28Å; D106-P108 WeakPolarHBondContact O-CD 2.98Å; P108-A110 PolarHBondContact O-N 3.06Å; P108-L370 HydrophobicContact CG-CD2 4.4Å
109	A	58.6	Low	60.6	Low	87 Å²	87	73 Å²	73	72%	0.719	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-46.6	135.3	172.7	0	0	0	0	0	110.2	L107 Q111	L107-A109 PolarHBondContact O-N 3.39Å; A109-Q111 PolarHBondContact O-N 2.92Å
110	A	52.8	Low	58.1	Low	96 Å²	96	73.9 Å²	73.9	79%	0.793	43%	0.426	S	S	*	.			trans	-62.3	104.1	-177.4	0	0	0	0	0	109.7	P108	P108-A110 PolarHBondContact O-N 3.06Å
111	Q	46.1	Very low	55.7	Low	120 Å²	120	71.6 Å²	71.6	56%	0.561	42%	0.422	S	S	*	.			trans	-88.1	135.5	158.9	-58.1	-167.6	-82.9	0	0	106.7	A109 D113	A109-Q111 PolarHBondContact O-N 2.92Å; Q111-D113 HydrophobicContact CB-CB 4.3Å; Q111-D113 PolarHBondContact O-N 3.4Å
112	E	37.2	Very low	53.1	Low	197 Å²	197	74 Å²	74	92%	0.921	43%	0.434	S	S	*	.			trans	-70	27.8	176.2	-59.6	-177.1	141.5	0	0	113	G114	E112-G114 PolarHBondContact O-N 2.95Å
113	D	33.3	Very low	50.9	Low	109 Å²	109	78.1 Å²	78.1	58%	0.583	46%	0.455	S	S	*	.			trans	-79	51.8	-177.5	-68.2	10.7	0	0	0	111.4	K93 Q111	K93-D113 IonicContact NZ-OD2 3.64Å; K93-D113 PolarHBondContact NZ-OD2 3.19Å; Q111-D113 HydrophobicContact CB-CB 4.3Å; Q111-D113 PolarHBondContact O-N 3.4Å
114	G	42.3	Very low	48.4	Very low	61 Å²	61	76.2 Å²	76.2	63%	0.629	44%	0.444	S	S	*	.			trans	140.3	116.3	171.1	0	0	0	0	0	114.2	E112	E112-G114 PolarHBondContact O-N 2.95Å
115	E	38.5	Very low	46	Very low	147 Å²	147	70.6 Å²	70.6	69%	0.687	43%	0.429	S	S	*	.			trans	-61.2	147.4	168	-72.2	-153.8	176	0	0	111.5	K408	E115-K408 WeakPolarHBondContact OE2-CE 3.18Å; E115-K408 IonicContact OE2-NZ 2.82Å; E115-K408 PolarHBondContact OE2-NZ 3.34Å
116	P	42.7	Very low	43.8	Very low	39 Å²	39	72.8 Å²	72.8	25%	0.253	44%	0.436	S	S	.	.			trans	-59.9	146.2	177.4	26.7	-35.5	0	0	0	111.1	D118 I295 K408	P116-D118 PolarHBondContact O-N 2.97Å; P116-I295 HydrophobicContact CB-CD1 3.86Å; P116-I295 HydrophobicContact CB-CG1 4.47Å; P116-I295 HydrophobicContact CB-CG2 3.79Å; P116-I295 HydrophobicContact CG-CD1 4.13Å; P116-I295 HydrophobicContact CG-CG2 3.98Å; P116-K408 PolarHBondContact O-NZ 2.9Å
117	M	43.8	Very low	42	Very low	51 Å²	51	80.5 Å²	80.5	25%	0.251	46%	0.46	S	S	.	.			trans	-62.2	99.3	169.6	-81.1	-77.2	-74.1	0	0	108.8	S119 Y291 Y411	M117-S119 PolarHBondContact O-N 3.17Å; M117-Y291 PolarHBondContact O-OH 2.83Å; M117-Y411 HydrophobicContact CE-CE1 4.05Å; M117-Y411 VanDerWaalsContact CE-OH 3.26Å; M117-Y411 WeakPolarHBondContact CE-OH 3.23Å; M117-Y411 HydrophobicContact SD-CD1 4.47Å; M117-Y411 HydrophobicContact SD-CE1 3.48Å; M117-Y411 WeakPolarHBondContact SD-CE1 3.29Å
118	D	32.3	Very low	40.2	Very low	23 Å²	23	84.9 Å²	84.9	12%	0.123	48%	0.478	C	S	.	.			trans	-73	105.6	160.7	-63.6	-36.6	0	0	0	107.1	P116 V120 I295 H296 K408	P116-D118 PolarHBondContact O-N 2.97Å; D118-V120 PolarHBondContact O-N 3.16Å; D118-I295 WeakPolarHBondContact OD1-CG2 3.37Å; D118-H296 WeakPolarHBondContact CA-NE2 3.31Å; D118-K408 IonicContact OD2-NZ 2.66Å; D118-K408 PolarHBondContact OD2-NZ 3.03Å
119	S	39	Very low	38.4	Very low	21 Å²	21	89 Å²	89	15%	0.147	51%	0.505	C	S	.	.			trans	-65.6	102.9	164.7	50.6	0	0	0	0	108.5	M117 C121 H296 Y360	M117-S119 PolarHBondContact O-N 3.17Å; S119-C121 PolarHBondContact O-N 3.36Å; S119-H296 VanDerWaalsContact CA-NE2 3.3Å; S119-H296 WeakPolarHBondContact CA-NE2 3.41Å; S119-H296 PolarHBondContact N-NE2 2.94Å; S119-H296 PolarHBondContact O-NE2 2.73Å; S119-H296 PolarHBondContact OG-NE2 3.44Å; S119-H296 VanDerWaalsContact OG-NE2 3.14Å; S119-Y360 WeakPolarHBondContact OG-CE2 3.46Å; S119-Y360 PolarHBondContact OG-OH 3.49Å
120	V	34.9	Very low	36.9	Very low	31 Å²	31	91.3 Å²	91.3	19%	0.188	51%	0.51	C	S	.	.			trans	-76	73.8	-176.9	177.8	0	0	0	0	110.5	G24 Y25 D118	G24-V120 VanDerWaalsContact CA-CG1 3.48Å; Y25-V120 HydrophobicContact CD1-CB 4.18Å; Y25-V120 HydrophobicContact CD1-CG2 3.61Å; Y25-V120 HydrophobicContact CE1-CB 3.65Å; Y25-V120 HydrophobicContact CE1-CG1 4.21Å; Y25-V120 HydrophobicContact CE1-CG2 3.5Å; Y25-V120 HydrophobicContact CE2-CG1 4.28Å; Y25-V120 HydrophobicContact CG-CG2 4.34Å; D118-V120 PolarHBondContact O-N 3.16Å
121	C	38.1	Very low	35.6	Very low	48 Å²	48	96 Å²	96	32%	0.324	51%	0.513	S	S	.	.			trans	-125.3	55.7	166.2	-61.7	0	0	0	0	108.2	S119	S119-C121 PolarHBondContact O-N 3.36Å
122	E	35	Very low	34.6	Very low	73 Å²	73	96.4 Å²	96.4	34%	0.341	52%	0.523	S	S	.	.			trans	-59.9	151.3	156.2	-72.8	-118.1	90.9	0	0	108.4	A124 K302	E122-A124 VanDerWaalsContact C-N 3.29Å; E122-A124 WeakPolarHBondContact O-CB 3.48Å; E122-A124 PolarHBondContact O-N 3.21Å; E122-K302 IonicContact OE1-NZ 3.44Å; E122-K302 PolarHBondContact OE1-NZ 2.93Å
123	D	39.3	Very low	33.9	Very low	94 Å²	94	92.4 Å²	92.4	50%	0.503	52%	0.516	S	S	.	.	S	Bend	trans	-57.9	79.6	-169.5	-168.6	42.7	0	0	0	113	R310 F311	D123-R310 IonicContact OD1-CZ 3.91Å; D123-R310 IonicContact OD1-NH2 2.83Å; D123-R310 PolarHBondContact OD1-NH2 3.28Å; D123-F311 WeakPolarHBondContact OD1-CZ 3.26Å
124	A	31.5	Very low	33.5	Very low	35 Å²	35	96 Å²	96	29%	0.289	53%	0.529	S	S	.	.			trans	-101.5	30.1	-178.4	0	0	0	0	0	112.2	Y21 Y62 E122	Y21-A124 HydrophobicContact CD2-CB 3.82Å; Y21-A124 HydrophobicContact CE1-CB 4.45Å; Y21-A124 HydrophobicContact CE2-CB 3.43Å; Y21-A124 VanDerWaalsContact CE2-CB 3.43Å; Y21-A124 HydrophobicContact CG-CB 4.45Å; Y62-A124 WeakPolarHBondContact CE1-O 3.43Å; E122-A124 VanDerWaalsContact C-N 3.29Å; E122-A124 WeakPolarHBondContact O-CB 3.48Å; E122-A124 PolarHBondContact O-N 3.21Å
125	G	31.9	Very low	32.7	Very low	30 Å²	30	98.3 Å²	98.3	31%	0.309	54%	0.536	S	S	.	.	S	Bend	trans	-92.1	136.1	163.6	0	0	0	0	0	109.3	R127	G125-R127 PolarHBondContact O-N 3.36Å
126	P	30.9	Very low	32.2	Very low	79 Å²	79	98.8 Å²	98.8	51%	0.513	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-54.1	141.2	165.4	-22.8	33.4	0	0	0	110.1	E128	P126-E128 PolarHBondContact O-N 2.99Å
127	R	36.1	Very low	31.4	Very low	238 Å²	238	104.7 Å²	104.7	90%	0.898	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-65.5	133.2	161.8	-67.5	-179.5	178.5	-177.8	-1.6	107.1	G125	G125-R127 PolarHBondContact O-N 3.36Å
128	E	34.1	Very low	30.4	Very low	171 Å²	171	112 Å²	112	80%	0.799	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-53	142.8	176.3	-71	-173.6	155.6	0	0	110.7	P126 T130	P126-E128 PolarHBondContact O-N 2.99Å; E128-T130 PolarHBondContact O-N 3.44Å
129	P	27.4	Very low	30	Very low	118 Å²	118	117 Å²	117	77%	0.766	63%	0.633	S	S	*	*			trans	-65.3	104.7	171.3	27.2	-32.8	0	0	0	109.1	K131	P129-K131 PolarHBondContact O-N 3.42Å
130	T	26.9	Very low	29.4	Very low	136 Å²	136	122.3 Å²	122.3	83%	0.834	66%	0.664	S	S	*	*			trans	-63.1	94.4	176.3	-4.2	0	0	0	0	109.6	E128 V132	E128-T130 PolarHBondContact O-N 3.44Å; T130-V132 PolarHBondContact O-N 3.1Å
131	K	26.5	Very low	28.8	Very low	194 Å²	194	125.2 Å²	125.2	84%	0.843	69%	0.691	S	S	*	*			trans	-66.6	101.3	168.4	-88.6	-174.6	176.3	174.3	0	108.8	P129 C133	P129-K131 PolarHBondContact O-N 3.42Å; K131-C133 PolarHBondContact O-N 3.22Å
132	V	24.1	Very low	28.1	Very low	129 Å²	129	129 Å²	129	78%	0.782	72%	0.719	S	S	*	*			trans	-63.7	102.1	163.3	178.9	0	0	0	0	108	T130	T130-V132 PolarHBondContact O-N 3.1Å
133	C	24	Very low	27.6	Very low	113 Å²	113	129.6 Å²	129.6	76%	0.764	74%	0.735	S	S	*	*			trans	-114.9	115.2	150.5	-80.4	0	0	0	0	106.8	K131 S135	K131-C133 PolarHBondContact O-N 3.22Å; C133-S135 PolarHBondContact O-N 2.87Å
134	Q	24.4	Very low	27	Very low	186 Å²	186	132.9 Å²	132.9	87%	0.869	75%	0.753	S	S	*	*			trans	-66.4	127.4	167.9	-72.2	172.9	-41	0	0	109.1
135	S	26.4	Very low	26.7	Very low	109 Å²	109	138.7 Å²	138.7	76%	0.762	78%	0.778	S	S	*	*			trans	-151.1	111.1	152.1	56.9	0	0	0	0	107.1	C133	C133-S135 PolarHBondContact O-N 2.87Å
136	D	27.8	Very low	26.3	Very low	156 Å²	156	146.8 Å²	146.8	83%	0.834	80%	0.804	S	S	*	*			trans	-56.7	138.6	179.2	-62.5	-82.8	0	0	0	111.9
137	L	24.8	Very low	26.1	Very low	163 Å²	163	149.8 Å²	149.8	85%	0.853	82%	0.816	S	S	*	*			trans	-166.9	97.6	150.9	-105.3	158.5	0	0	0	109.1
138	K	23.8	Very low	25.5	Very low	204 Å²	204	147.6 Å²	147.6	89%	0.887	82%	0.816	S	S	*	*			trans	-75.7	119.7	164.6	-76.7	-178.6	177.6	177.5	0	108.8
139	V	22.9	Very low	25	Very low	130 Å²	130	146.8 Å²	146.8	79%	0.788	82%	0.816	S	S	*	*			trans	-135.4	114.9	152.5	-176	0	0	0	0	107.3
140	V	26.1	Very low	25.2	Very low	131 Å²	131	146 Å²	146	79%	0.794	81%	0.81	S	S	*	*			trans	-102.6	147.9	171.9	175.1	0	0	0	0	108.2
141	A	23.7	Very low	25.1	Very low	92 Å²	92	145.8 Å²	145.8	76%	0.76	80%	0.804	S	S	*	*			trans	-35.5	140.9	-175.4	0	0	0	0	0	117.1
142	S	22.5	Very low	24.9	Very low	129 Å²	129	146.8 Å²	146.8	90%	0.902	80%	0.803	S	S	*	*			trans	-95.6	125.4	156.6	-56.1	0	0	0	0	109.4
143	A	24.7	Very low	24.8	Very low	84 Å²	84	146.2 Å²	146.2	69%	0.694	81%	0.805	S	S	*	*			trans	-141.8	131	156.5	0	0	0	0	0	108.9
144	D	25.9	Very low	24.8	Very low	163 Å²	163	145.3 Å²	145.3	87%	0.872	81%	0.805	S	S	*	*			trans	62.5	112.7	160.8	-53.4	-30.3	0	0	0	120.7
145	I	25.8	Very low	24.7	Very low	157 Å²	157	140.6 Å²	140.6	81%	0.805	80%	0.798	S	S	*	*			trans	-84.3	123.3	164.1	-64.1	166.5	0	0	0	108.4
146	K	24.1	Very low	24.7	Very low	200 Å²	200	144.4 Å²	144.4	87%	0.87	80%	0.804	S	S	*	*			trans	-144.2	106	147.7	-75.7	-159	177.2	-177.4	0	111.1
147	D	25.6	Very low	24.4	Very low	142 Å²	142	145.4 Å²	145.4	76%	0.759	80%	0.803	S	S	*	*			trans	21.1	141.3	149.2	-60.1	-46.5	0	0	0	124
148	E	24.5	Very low	24.4	Very low	192 Å²	192	143 Å²	143	90%	0.897	80%	0.795	S	S	*	*			trans	96.4	137.3	148.9	-78.2	178.8	-166.2	0	0	122.5
149	I	23	Very low	24.4	Very low	154 Å²	154	142 Å²	142	79%	0.79	79%	0.793	S	S	*	*			trans	-125.4	165.3	-165.8	-71.2	168.2	0	0	0	105
150	P	32.3	Very low	24.4	Very low	101 Å²	101	144.9 Å²	144.9	66%	0.656	80%	0.795	S	S	*	*			cis	-127.7	173.6	-1	22.8	1.4	0	0	0	114.7
151	N	23.3	Very low	24.3	Very low	132 Å²	132	146 Å²	146	71%	0.706	80%	0.797	S	S	*	*				171.1	133.4	93.6	-119.2	-28.7	0	0	0	116.4
152	R	22.8	Very low	24.2	Very low	216 Å²	216	145.3 Å²	145.3	82%	0.815	79%	0.787	S	S	*	*			trans	48.1	135	140.2	-81.6	173.6	176.7	-160.3	-1.8	123.3
153	S	22.5	Very low	24.1	Very low	117 Å²	117	149.2 Å²	149.2	82%	0.818	79%	0.787	S	S	*	*			trans	66.2	141.9	143	53.1	0	0	0	0	119
154	A	24.1	Very low	23.9	Very low	93 Å²	93	148.5 Å²	148.5	77%	0.769	79%	0.789	S	S	*	*			cis	-158.4	-170.2	-11.8	0	0	0	0	0	109.5
155	A	22.6	Very low	23.7	Very low	88 Å²	88	148.9 Å²	148.9	73%	0.727	79%	0.785	S	S	*	*			trans	-37.7	160	162.2	0	0	0	0	0	113.4
156	E	25	Very low	23.4	Very low	188 Å²	188	149.3 Å²	149.3	88%	0.879	78%	0.784	S	S	*	*			cis	-147.3	158	49	-70.5	173.7	142	0	0	115.3
157	E	22.3	Very low	23.4	Very low	178 Å²	178	146.9 Å²	146.9	83%	0.832	78%	0.777	S	S	*	*			trans	-64	174.2	159.4	-55.2	176.1	117.2	0	0	109.5
158	V	24	Very low	23.3	Very low	112 Å²	112	146 Å²	146	68%	0.679	78%	0.779	S	S	*	*				-179.4	136.2	87.9	149.6	0	0	0	0	111.5
159	Q	25	Very low	23.2	Very low	182 Å²	182	145.4 Å²	145.4	85%	0.85	77%	0.774	S	S	*	*			trans	68.4	123.4	153.4	-75.2	161.4	30.8	0	0	124.2
160	K	23.1	Very low	23.1	Very low	191 Å²	191	146.3 Å²	146.3	83%	0.83	78%	0.779	S	S	*	*			trans	-71	151.2	151.5	-60.6	163.5	174.8	169.5	0	111.4
161	N	22.6	Very low	22.6	Very low	154 Å²	154	149 Å²	149	82%	0.824	79%	0.787	S	S	*	*				-171.7	155	125	-97	-19.4	0	0	0	108.3
162	S	21.8	Very low	22.5	Very low	79 Å²	79	149 Å²	149	55%	0.552	79%	0.792	S	S	*	*			cis	161.5	137.4	-31.3	59.1	0	0	0	0	105.3
163	K	21.6	Very low	22.4	Very low	210 Å²	210	147.1 Å²	147.1	91%	0.913	79%	0.793	S	S	*	*			trans	69.1	146.1	-179.9	-46.7	176.4	-178.6	-179.9	0	114.2
164	G	20.4	Very low	23.3	Very low	70 Å²	70	146.9 Å²	146.9	72%	0.722	79%	0.788	S	S	*	*			cis	176.3	165.5	-7.4	0	0	0	0	0	112.3
165	E	20.7	Very low	23.1	Very low	170 Å²	170	146.7 Å²	146.7	79%	0.794	79%	0.787	S	S	*	*			trans	73.2	127.9	156	-66.1	-158.8	91.6	0	0	123.5
166	Q	20.3	Very low	23	Very low	166 Å²	166	151.4 Å²	151.4	78%	0.776	79%	0.791	S	S	*	*			trans	87	143.8	137.8	-71.8	177.6	39.8	0	0	122.4
167	M	23.1	Very low	22.8	Very low	149 Å²	149	147.8 Å²	147.8	73%	0.734	79%	0.786	S	S	*	*			trans	-74.2	173.8	176.8	-70.1	-164.2	70.2	0	0	112.1	K169	M167-K169 HydrophobicContact CE-CG 3.99Å
168	P	24.3	Very low	22.8	Very low	124 Å²	124	144.2 Å²	144.2	81%	0.805	77%	0.772	S	S	*	*				-136.7	154	104.3	35	-24.2	0	0	0	115.3
169	K	23.2	Very low	22.8	Very low	179 Å²	179	146.9 Å²	146.9	78%	0.778	78%	0.777	S	S	*	*			trans	-88.2	145.2	150.5	-76.1	176.8	174	174.9	0	107.9	M167	M167-K169 HydrophobicContact CE-CG 3.99Å
170	L	20.4	Very low	22.7	Very low	173 Å²	173	143.1 Å²	143.1	91%	0.906	77%	0.771	S	S	*	*			trans	-150.5	146.7	141.8	-144.3	71.9	0	0	0	112.3
171	L	21.1	Very low	22.6	Very low	157 Å²	157	140.1 Å²	140.1	82%	0.822	77%	0.769	S	S	*	*			trans	-78	165.8	170.1	-66.4	140.5	0	0	0	110.2
172	T	21.4	Very low	22.6	Very low	133 Å²	133	139.9 Å²	139.9	82%	0.816	77%	0.766	S	S	*	*				177.2	128.6	129.3	-72.4	0	0	0	0	110.8
173	Q	21.7	Very low	22.6	Very low	177 Å²	177	143.9 Å²	143.9	83%	0.827	78%	0.78	S	S	*	*			trans	-121.2	-174.1	149	-55.8	-175.3	-10.9	0	0	106.2
174	P	40	Very low	22.5	Very low	111 Å²	111	140.1 Å²	140.1	72%	0.721	77%	0.77	S	S	*	*			cis	-135	179.3	-14	26.9	-3.4	0	0	0	114.3
175	A	20.7	Very low	22.6	Very low	89 Å²	89	147.6 Å²	147.6	74%	0.736	78%	0.778	S	S	*	*			trans	-169.8	129.1	148.5	0	0	0	0	0	109
176	F	21.1	Very low	22.6	Very low	188 Å²	188	148.2 Å²	148.2	83%	0.825	78%	0.781	S	S	*	*				65.6	135	68.4	-84.4	-76	0	0	0	113
177	C	20.1	Very low	22.7	Very low	112 Å²	112	145.4 Å²	145.4	76%	0.757	78%	0.78	S	S	*	*			cis	-151.2	175.9	25.5	-86.1	0	0	0	0	110.4
178	N	22.7	Very low	22.7	Very low	102 Å²	102	147 Å²	147	55%	0.545	79%	0.785	S	S	.	*			cis	-162.3	166.8	-19.4	-113	48.7	0	0	0	111.6
179	E	22.7	Very low	23	Very low	169 Å²	169	147 Å²	147	79%	0.79	79%	0.788	S	S	*	*			trans	16.8	160.3	136.4	-74.4	176.8	148.1	0	0	123.8
180	S	23.7	Very low	23	Very low	103 Å²	103	144.6 Å²	144.6	72%	0.72	79%	0.788	S	S	*	*			cis	-156	168.7	12.5	31.4	0	0	0	0	109.2
181	T	21.1	Very low	23.3	Very low	127 Å²	127	146 Å²	146	78%	0.779	79%	0.787	S	S	*	*				-169.5	154.7	54.7	-58.7	0	0	0	0	111.2
182	I	22.5	Very low	23.5	Very low	150 Å²	150	146.4 Å²	146.4	77%	0.769	79%	0.789	S	S	*	*			trans	-105.7	147.6	175.9	-69.7	170	0	0	0	110.9
183	L	21.2	Very low	23.6	Very low	162 Å²	162	149.4 Å²	149.4	85%	0.848	79%	0.791	S	S	*	*			trans	-157.8	151.9	142	-112	165.2	0	0	0	113.8
184	N	20.6	Very low	23.9	Very low	132 Å²	132	147.4 Å²	147.4	71%	0.706	79%	0.791	S	S	*	*			trans	-69.3	163.4	-170	-71.8	-38.3	0	0	0	114.8
185	Y	21.1	Very low	23.2	Very low	227 Å²	227	148 Å²	148	89%	0.89	79%	0.792	S	S	*	*				-167.4	144.8	105	-114.2	-86.8	0	0	0	112.6
186	Q	21.4	Very low	23.6	Very low	183 Å²	183	152.3 Å²	152.3	86%	0.855	80%	0.797	S	S	*	*			trans	-88.8	140	167.3	-65.1	172.4	-37	0	0	109.6
187	S	23.2	Very low	24	Very low	106 Å²	106	149.4 Å²	149.4	74%	0.741	80%	0.798	S	S	*	*			trans	-178.9	128.7	141.6	53.2	0	0	0	0	113.6
188	E	22.5	Very low	24.6	Very low	183 Å²	183	150.5 Å²	150.5	86%	0.855	80%	0.802	S	S	*	*			trans	60.6	138.8	138.1	-59.9	-170.5	143.3	0	0	123.2
189	S	30.2	Very low	25.1	Very low	124 Å²	124	148.8 Å²	148.8	87%	0.867	81%	0.809	S	S	*	*			trans	-76.2	116.5	173.6	54.3	0	0	0	0	112.5
190	V	23.8	Very low	26.2	Very low	129 Å²	129	149.4 Å²	149.4	78%	0.782	82%	0.817	S	S	*	*			trans	-116.2	122	168.3	-179.2	0	0	0	0	110.6	L192	V190-L192 PolarHBondContact O-N 3.42Å
191	K	26.5	Very low	27.1	Very low	201 Å²	201	147.8 Å²	147.8	87%	0.874	82%	0.816	S	S	*	*			trans	-70.2	106	175.2	-72.6	174.1	177.2	171	0	110.4	K193	K191-K193 PolarHBondContact O-N 3.32Å
192	L	25.1	Very low	28.3	Very low	167 Å²	167	146.5 Å²	146.5	87%	0.874	82%	0.818	S	S	*	*			trans	-75.3	109.5	165	-92.6	158.7	0	0	0	110.2	V190 V194	V190-L192 PolarHBondContact O-N 3.42Å; L192-V194 PolarHBondContact O-N 3.47Å
193	K	24.2	Very low	29.5	Very low	195 Å²	195	142.7 Å²	142.7	85%	0.848	80%	0.799	S	S	*	*			trans	-64.9	112.9	169.9	-76.1	175	174.2	173.9	0	109.3	K191 T195	K191-K193 PolarHBondContact O-N 3.32Å; K193-T195 PolarHBondContact O-N 3.02Å
194	V	27.8	Very low	31	Very low	136 Å²	136	141.3 Å²	141.3	82%	0.824	80%	0.8	S	S	*	*			trans	-75.2	113.1	158.3	178.9	0	0	0	0	107.5	L192 H196	L192-V194 PolarHBondContact O-N 3.47Å; V194-H196 PolarHBondContact O-N 3.03Å
195	T	25.6	Very low	32.8	Very low	123 Å²	123	139.6 Å²	139.6	76%	0.755	80%	0.799	S	S	*	*			trans	-66.1	121.5	172.6	38.5	0	0	0	0	110.1	K193 C197	K193-T195 PolarHBondContact O-N 3.02Å; T195-C197 PolarHBondContact O-N 2.94Å
196	H	28.5	Very low	34.1	Very low	179 Å²	179	137.9 Å²	137.9	83%	0.829	79%	0.79	S	S	*	*			trans	-62.5	122.8	168	-85.3	-94.9	0	0	0	110	V194 T198	V194-H196 PolarHBondContact O-N 3.03Å; H196-T198 PolarHBondContact O-N 3.35Å; H196-T198 VanDerWaalsContact O-N 3.13Å
197	C	29.5	Very low	35.4	Very low	127 Å²	127	134.6 Å²	134.6	86%	0.858	79%	0.785	S	S	*	*			trans	-67.1	106.9	156.1	-68.1	0	0	0	0	108	T195 G199	T195-C197 PolarHBondContact O-N 2.94Å; C197-G199 PolarHBondContact O-N 3.4Å
198	T	32.2	Very low	36.7	Very low	135 Å²	135	135.4 Å²	135.4	83%	0.828	79%	0.788	S	S	*	*			trans	-63.7	98.7	166.8	39.9	0	0	0	0	109.2	H196	H196-T198 PolarHBondContact O-N 3.35Å; H196-T198 VanDerWaalsContact O-N 3.13Å
199	G	33.4	Very low	38.3	Very low	67 Å²	67	132.2 Å²	132.2	69%	0.691	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-60.5	139.6	168.7	0	0	0	0	0	110.2	C197 G201	C197-G199 PolarHBondContact O-N 3.4Å; G199-G201 PolarHBondContact O-N 3.13Å
200	L	45.9	Very low	40	Very low	182 Å²	182	133.8 Å²	133.8	95%	0.953	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-52.4	130.1	172	-72.5	161.6	0	0	0	109.4
201	G	43.6	Very low	41.7	Very low	68 Å²	68	135.3 Å²	135.3	70%	0.701	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-60.6	165.9	179.5	0	0	0	0	0	112.5	G199 D203	G199-G201 PolarHBondContact O-N 3.13Å; G201-D203 PolarHBondContact O-N 2.71Å
202	A	45	Very low	43.3	Very low	101 Å²	101	128.6 Å²	128.6	84%	0.835	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-55.7	126.4	179.6	0	0	0	0	0	111.4	P204	A202-P204 VanDerWaalsContact O-CD 3.29Å; A202-P204 WeakPolarHBondContact O-CD 3.43Å; A202-P204 VanDerWaalsContact O-N 3.15Å
203	D	48.7	Very low	44.8	Very low	69 Å²	69	128.3 Å²	128.3	37%	0.369	74%	0.742	S	S	.	*			trans	-46	111.5	175.1	173.6	1.5	0	0	0	111.4	G201 S205 R206	G201-D203 PolarHBondContact O-N 2.71Å; D203-S205 VanDerWaalsContact CG-OG 3.23Å; D203-S205 PolarHBondContact O-N 2.78Å; D203-S205 VanDerWaalsContact O-N 3.08Å; D203-S205 WeakPolarHBondContact OD1-CB 3.37Å; D203-S205 PolarHBondContact OD1-N 3.43Å; D203-S205 PolarHBondContact OD1-OG 3.3Å; D203-S205 PolarHBondContact OD2-OG 3.07Å; D203-R206 HydrophobicContact CB-CG 4.31Å; D203-R206 PolarHBondContact O-N 3.19Å; D203-R206 VanDerWaalsContact O-N 3.1Å; D203-R206 WeakPolarHBondContact OD2-CG 3.42Å; D203-R206 IonicContact OD2-NE 3.33Å; D203-R206 PolarHBondContact OD2-NE 3.18Å
204	P	52.8	Low	47	Very low	134 Å²	134	122.7 Å²	122.7	87%	0.87	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-14.2	-177.2	-24	34.8	0	0	0	114.5	A202 R206	A202-P204 VanDerWaalsContact O-CD 3.29Å; A202-P204 WeakPolarHBondContact O-CD 3.43Å; A202-P204 VanDerWaalsContact O-N 3.15Å; P204-R206 VanDerWaalsContact C-N 3.34Å
205	S	58.3	Low	48.8	Very low	96 Å²	96	119.5 Å²	119.5	67%	0.671	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-10.1	177.5	75.3	0	0	0	0	113.7	D203	D203-S205 VanDerWaalsContact CG-OG 3.23Å; D203-S205 PolarHBondContact O-N 2.78Å; D203-S205 VanDerWaalsContact O-N 3.08Å; D203-S205 WeakPolarHBondContact OD1-CB 3.37Å; D203-S205 PolarHBondContact OD1-N 3.43Å; D203-S205 PolarHBondContact OD1-OG 3.3Å; D203-S205 PolarHBondContact OD2-OG 3.07Å
206	R	47.8	Very low	51.1	Low	190 Å²	190	122.5 Å²	122.5	72%	0.717	70%	0.697	S	S	*	*	S	Bend	trans	-95.7	126.3	-179.8	-69.7	-179.8	-176.4	-154.6	-7.2	111.9	D203 P204	D203-R206 HydrophobicContact CB-CG 4.31Å; D203-R206 PolarHBondContact O-N 3.19Å; D203-R206 VanDerWaalsContact O-N 3.1Å; D203-R206 WeakPolarHBondContact OD2-CG 3.42Å; D203-R206 IonicContact OD2-NE 3.33Å; D203-R206 PolarHBondContact OD2-NE 3.18Å; P204-R206 VanDerWaalsContact C-N 3.34Å
207	P	48.8	Very low	53.1	Low	115 Å²	115	121 Å²	121	75%	0.747	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-64.2	138.8	177.8	26.3	-33.7	0	0	0	110.8	S209	P207-S209 PolarHBondContact O-N 3.18Å
208	P	50.5	Low	55.3	Low	122 Å²	122	118.6 Å²	118.6	79%	0.792	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-61.6	128.7	-175.1	20.5	-30.6	0	0	0	111.8	R210	P208-R210 PolarHBondContact O-N 2.79Å
209	S	55.1	Low	57.3	Low	117 Å²	117	120.9 Å²	120.9	82%	0.818	66%	0.658	S	S	*	*			trans	-64.4	104.6	-177.6	60.3	0	0	0	0	111.2	P207 K211	P207-S209 PolarHBondContact O-N 3.18Å; S209-K211 PolarHBondContact O-N 2.97Å
210	R	66.3	Low	59.3	Low	156 Å²	156	126.2 Å²	126.2	59%	0.589	66%	0.657	S	S	*	*			trans	-57.5	129.8	175.5	-67.6	-174.6	178.5	-166.7	0.5	110.1	P208 A212 L215 E218	P208-R210 PolarHBondContact O-N 2.79Å; R210-A212 PolarHBondContact O-N 3.18Å; R210-L215 HydrophobicContact CB-CD1 4.34Å; R210-L215 HydrophobicContact CB-CD2 4.27Å; R210-L215 HydrophobicContact CB-CG 4.09Å; R210-E218 IonicContact NH1-OE1 3.07Å; R210-E218 PolarHBondContact NH1-OE1 3.28Å; R210-E218 IonicContact NH1-OE2 3.63Å; R210-E218 PolarHBondContact NH1-OE2 2.86Å
211	K	61	Low	60.6	Low	162 Å²	162	122.8 Å²	122.8	70%	0.704	64%	0.639	S	S	*	*			trans	-61.7	137.9	178.4	-64.7	175.8	-179.9	174	0	109.2	S209 K213 D214	S209-K211 PolarHBondContact O-N 2.97Å; K211-K213 PolarHBondContact O-N 2.84Å; K211-D214 PolarHBondContact O-N 2.96Å
212	A	58.8	Low	62	Low	60 Å²	60	124.5 Å²	124.5	50%	0.496	63%	0.629	S	S	.	*	H	α-helix	trans	-59	-15.7	-174.9	0	0	0	0	0	114.9	R210 R216	R210-A212 PolarHBondContact O-N 3.18Å; A212-R216 WeakPolarHBondContact O-CD 3.42Å; A212-R216 VanDerWaalsContact O-CG 3.23Å; A212-R216 WeakPolarHBondContact O-CG 3.39Å
213	K	57.3	Low	63.3	Low	160 Å²	160	127 Å²	127	70%	0.696	62%	0.621	S	S	*	*	H	α-helix	trans	-70.6	-35.8	173	-169.4	176.6	-178.7	-179.3	0	112.4	K211 R216 K217	K211-K213 PolarHBondContact O-N 2.84Å; K213-R216 PolarHBondContact O-N 3.21Å; K213-K217 PolarHBondContact O-N 3.3Å
214	D	69.6	Low	64.3	Low	77 Å²	77	127.2 Å²	127.2	41%	0.412	62%	0.622	S	S	.	*	H	α-helix	trans	-81.6	-41.8	-172.2	-53.1	-38.2	0	0	0	110.4	K211 R216 K217 E218	K211-D214 PolarHBondContact O-N 2.96Å; D214-R216 PolarHBondContact O-N 3.45Å; D214-R216 VanDerWaalsContact O-N 3.17Å; D214-K217 WeakPolarHBondContact O-CA 3.35Å; D214-K217 WeakPolarHBondContact O-CB 3.17Å; D214-K217 PolarHBondContact O-N 3.39Å; D214-E218 WeakPolarHBondContact O-CB 3.5Å; D214-E218 PolarHBondContact O-N 2.95Å
215	L	66.9	Low	65.1	Low	69 Å²	69	125.8 Å²	125.8	36%	0.361	60%	0.604	S	S	.	*	H	α-helix	trans	-56.1	-30.4	168.5	-66.9	170.8	0	0	0	112.9	R210 R219	R210-L215 HydrophobicContact CB-CD1 4.34Å; R210-L215 HydrophobicContact CB-CD2 4.27Å; R210-L215 HydrophobicContact CB-CG 4.09Å; L215-R219 WeakPolarHBondContact O-CB 3.26Å; L215-R219 VanDerWaalsContact O-CG 3.29Å; L215-R219 WeakPolarHBondContact O-CG 3.48Å; L215-R219 PolarHBondContact O-N 3.06Å; L215-R219 VanDerWaalsContact O-N 3.16Å
216	R	73.7	Confident	65.4	Low	186 Å²	186	129.5 Å²	129.5	70%	0.702	61%	0.608	S	S	*	*	H	α-helix	trans	-77.2	-34.4	174.8	-72.5	170.8	-174	171	3.5	112.7	A212 K213 D214 R220	A212-R216 WeakPolarHBondContact O-CD 3.42Å; A212-R216 VanDerWaalsContact O-CG 3.23Å; A212-R216 WeakPolarHBondContact O-CG 3.39Å; K213-R216 PolarHBondContact O-N 3.21Å; D214-R216 PolarHBondContact O-N 3.45Å; D214-R216 VanDerWaalsContact O-N 3.17Å; R216-R220 PolarHBondContact O-N 3.46Å
217	K	70.4	Confident	66.2	Low	149 Å²	149	130.2 Å²	130.2	65%	0.648	61%	0.611	S	S	*	*	H	α-helix	trans	-65.1	-47.3	170.5	-93.5	-172.7	169.1	-171	0	111	K213 D214 R220 L221	K213-K217 PolarHBondContact O-N 3.3Å; D214-K217 WeakPolarHBondContact O-CA 3.35Å; D214-K217 WeakPolarHBondContact O-CB 3.17Å; D214-K217 PolarHBondContact O-N 3.39Å; K217-R220 WeakPolarHBondContact O-CB 3.45Å; K217-R220 PolarHBondContact O-N 2.89Å; K217-L221 PolarHBondContact O-N 2.98Å
218	E	74.9	Confident	66.6	Low	76 Å²	76	132.2 Å²	132.2	36%	0.355	61%	0.61	S	S	.	*	H	α-helix	trans	-60.9	-46.7	-178.4	-165.5	169.8	-155.3	0	0	111.5	R210 D214 R220 L221 Q222	R210-E218 IonicContact NH1-OE1 3.07Å; R210-E218 PolarHBondContact NH1-OE1 3.28Å; R210-E218 IonicContact NH1-OE2 3.63Å; R210-E218 PolarHBondContact NH1-OE2 2.86Å; D214-E218 WeakPolarHBondContact O-CB 3.5Å; D214-E218 PolarHBondContact O-N 2.95Å; E218-R220 PolarHBondContact O-N 3.12Å; E218-L221 PolarHBondContact O-N 3.23Å; E218-Q222 WeakPolarHBondContact O-CG 3.26Å; E218-Q222 PolarHBondContact O-N 2.71Å
219	R	74.7	Confident	66.8	Low	182 Å²	182	134.2 Å²	134.2	69%	0.687	61%	0.608	S	S	*	*	H	α-helix	trans	-62.7	-25.2	172.9	-73.7	178.9	-173.6	-162.9	2.6	114.3	L215 K223	L215-R219 WeakPolarHBondContact O-CB 3.26Å; L215-R219 VanDerWaalsContact O-CG 3.29Å; L215-R219 WeakPolarHBondContact O-CG 3.48Å; L215-R219 PolarHBondContact O-N 3.06Å; L215-R219 VanDerWaalsContact O-N 3.16Å; R219-K223 PolarHBondContact O-N 3.35Å
220	R	75.1	Confident	66.3	Low	180 Å²	180	131.1 Å²	131.1	68%	0.679	60%	0.595	S	S	*	*	H	α-helix	trans	-75.3	-49.6	174.5	-169	177.4	-179.2	-180	1.7	110.1	R216 K217 E218 Q222 K223 D224	R216-R220 PolarHBondContact O-N 3.46Å; K217-R220 WeakPolarHBondContact O-CB 3.45Å; K217-R220 PolarHBondContact O-N 2.89Å; E218-R220 PolarHBondContact O-N 3.12Å; R220-Q222 VanDerWaalsContact C-N 3.31Å; R220-Q222 PolarHBondContact O-N 3.38Å; R220-K223 WeakPolarHBondContact O-CB 3.47Å; R220-K223 PolarHBondContact O-N 2.84Å; R220-D224 PolarHBondContact O-N 2.77Å
221	L	73.1	Confident	65.4	Low	110 Å²	110	129.1 Å²	129.1	58%	0.576	61%	0.612	S	S	*	*	H	α-helix	trans	-54.3	-45.4	175	-121.6	80.1	0	0	0	112.2	K217 E218 K223 D224 Q225	K217-L221 PolarHBondContact O-N 2.98Å; E218-L221 PolarHBondContact O-N 3.23Å; L221-K223 VanDerWaalsContact C-N 3.31Å; L221-K223 PolarHBondContact O-N 3.23Å; L221-D224 PolarHBondContact O-N 2.8Å; L221-Q225 WeakPolarHBondContact O-CG 3.48Å; L221-Q225 PolarHBondContact O-N 3.23Å
222	Q	73.9	Confident	64.5	Low	103 Å²	103	124.2 Å²	124.2	48%	0.481	61%	0.607	S	S	.	*	H	α-helix	trans	-64.1	-32.5	177.5	-71.5	175.7	-2.4	0	0	113.2	E218 R220 K226	E218-Q222 WeakPolarHBondContact O-CG 3.26Å; E218-Q222 PolarHBondContact O-N 2.71Å; R220-Q222 VanDerWaalsContact C-N 3.31Å; R220-Q222 PolarHBondContact O-N 3.38Å; Q222-K226 WeakPolarHBondContact O-CB 3.48Å; Q222-K226 WeakPolarHBondContact O-CG 3.29Å; Q222-K226 PolarHBondContact O-N 2.85Å; Q222-K226 VanDerWaalsContact O-N 3.15Å
223	K	72.1	Confident	64	Low	154 Å²	154	128.6 Å²	128.6	67%	0.67	63%	0.628	S	S	*	*	H	α-helix	trans	-71.5	-37.6	173	-89	-171	172.5	-174.1	0	112.1	R219 R220 L221 R227	R219-K223 PolarHBondContact O-N 3.35Å; R220-K223 WeakPolarHBondContact O-CB 3.47Å; R220-K223 PolarHBondContact O-N 2.84Å; L221-K223 VanDerWaalsContact C-N 3.31Å; L221-K223 PolarHBondContact O-N 3.23Å; K223-R227 WeakPolarHBondContact O-CG 3.45Å; K223-R227 PolarHBondContact O-N 2.82Å
224	D	69.6	Low	63.3	Low	73 Å²	73	128.2 Å²	128.2	39%	0.39	63%	0.632	S	S	.	*	H	α-helix	trans	-72.7	-39.9	-179.7	-62.2	-28.6	0	0	0	110.7	R220 L221 R227 Q228	R220-D224 PolarHBondContact O-N 2.77Å; L221-D224 PolarHBondContact O-N 2.8Å; D224-R227 WeakPolarHBondContact O-CB 3.38Å; D224-R227 PolarHBondContact O-N 2.84Å; D224-R227 VanDerWaalsContact O-N 3.14Å; D224-Q228 PolarHBondContact O-N 2.9Å
225	Q	69.5	Low	62.1	Low	104 Å²	104	129.3 Å²	129.3	49%	0.486	64%	0.643	S	S	.	*	H	α-helix	trans	-62.5	-41.3	171.4	-74	175.2	-14.6	0	0	113	L221 R227 Q228 H229	L221-Q225 WeakPolarHBondContact O-CG 3.48Å; L221-Q225 PolarHBondContact O-N 3.23Å; Q225-R227 PolarHBondContact O-N 3.32Å; Q225-Q228 PolarHBondContact O-N 2.82Å; Q225-Q228 VanDerWaalsContact O-N 3.16Å; Q225-H229 PolarHBondContact O-N 3.36Å; Q225-H229 PolarHBondContact O-ND1 3.14Å
226	K	64.6	Low	60.8	Low	175 Å²	175	132 Å²	132	76%	0.761	67%	0.666	S	S	*	*	H	α-helix	trans	-64.9	-22.9	174.1	-80.4	-172.5	175.4	-168.7	0	113.5	Q222	Q222-K226 WeakPolarHBondContact O-CB 3.48Å; Q222-K226 WeakPolarHBondContact O-CG 3.29Å; Q222-K226 PolarHBondContact O-N 2.85Å; Q222-K226 VanDerWaalsContact O-N 3.15Å
227	R	63.3	Low	59.2	Low	205 Å²	205	132.1 Å²	132.1	77%	0.774	67%	0.671	S	S	*	*	H	α-helix	trans	-78.6	-27.9	173.2	-76.5	174.3	165.9	-146.4	-6.7	113.1	K223 D224 Q225	K223-R227 WeakPolarHBondContact O-CG 3.45Å; K223-R227 PolarHBondContact O-N 2.82Å; D224-R227 WeakPolarHBondContact O-CB 3.38Å; D224-R227 PolarHBondContact O-N 2.84Å; D224-R227 VanDerWaalsContact O-N 3.14Å; Q225-R227 PolarHBondContact O-N 3.32Å
228	Q	57.5	Low	57.8	Low	157 Å²	157	129.9 Å²	129.9	73%	0.734	67%	0.672	S	S	*	*	H	α-helix	trans	-78.9	-25.5	179.2	-71.5	178.1	-17.4	0	0	113.6	D224 Q225	D224-Q228 PolarHBondContact O-N 2.9Å; Q225-Q228 PolarHBondContact O-N 2.82Å; Q225-Q228 VanDerWaalsContact O-N 3.16Å
229	H	55.6	Low	56.1	Low	163 Å²	163	130.8 Å²	130.8	76%	0.755	69%	0.692	S	S	*	*	S	Bend	trans	-98	-0.9	-178.2	-65.2	78.1	0	0	0	114	Q225 A231	Q225-H229 PolarHBondContact O-N 3.36Å; Q225-H229 PolarHBondContact O-ND1 3.14Å; H229-A231 PolarHBondContact O-N 2.84Å
230	G	44.9	Very low	54.8	Low	53 Å²	53	130 Å²	130	55%	0.546	70%	0.695	S	S	.	*			trans	-96.5	78.2	180	0	0	0	0	0	112.5	G232	G230-G232 PolarHBondContact O-N 3.01Å; G230-G232 VanDerWaalsContact O-N 3.08Å
231	A	47.7	Very low	53.5	Low	113 Å²	113	126.6 Å²	126.6	93%	0.934	70%	0.695	S	S	*	*			trans	-71.3	98.6	170.1	0	0	0	0	0	110	H229	H229-A231 PolarHBondContact O-N 2.84Å
232	G	41.6	Very low	52.9	Low	59 Å²	59	129.3 Å²	129.3	61%	0.608	71%	0.71	S	S	*	*			trans	-164.1	113.3	177.3	0	0	0	0	0	110.8	G230 L234	G230-G232 PolarHBondContact O-N 3.01Å; G230-G232 VanDerWaalsContact O-N 3.08Å; G232-L234 PolarHBondContact O-N 3.47Å; G232-L234 VanDerWaalsContact O-N 3.07Å
233	V	48.6	Very low	52.5	Low	153 Å²	153	131.8 Å²	131.8	93%	0.927	72%	0.722	S	S	*	*			trans	-67.5	106.7	-179.7	179	0	0	0	0	109.2
234	L	41.1	Very low	52.8	Low	152 Å²	152	129.1 Å²	129.1	80%	0.796	72%	0.72	S	S	*	*			trans	-100.7	138.5	165.1	-78.9	161.7	0	0	0	108.3	G232	G232-L234 PolarHBondContact O-N 3.47Å; G232-L234 VanDerWaalsContact O-N 3.07Å
235	P	44.7	Very low	53.5	Low	99 Å²	99	129.5 Å²	129.5	64%	0.643	72%	0.718	S	S	*	*			trans	-60	150.2	177.8	26.2	-34.2	0	0	0	110.4	K237	P235-K237 PolarHBondContact O-N 3.19Å
236	P	40.1	Very low	54.5	Low	127 Å²	127	127.3 Å²	127.3	83%	0.825	71%	0.712	S	S	*	*			trans	-61.1	110.5	-178	25.4	-33.5	0	0	0	109.3
237	K	40.6	Very low	55.9	Low	188 Å²	188	119 Å²	119	82%	0.817	68%	0.676	S	S	*	*			trans	-56.5	134.7	166.4	-71.9	-170.9	173.9	-170.2	0	107.4	P235 A239	P235-K237 PolarHBondContact O-N 3.19Å; K237-A239 PolarHBondContact O-N 3.45Å
238	P	39.8	Very low	57.3	Low	102 Å²	102	111.8 Å²	111.8	66%	0.662	65%	0.651	S	S	*	*			trans	-53.7	133.4	177	23.4	-33.3	0	0	0	108.4	H240	P238-H240 VanDerWaalsContact C-N 3.28Å; P238-H240 PolarHBondContact O-N 3.31Å
239	A	39.9	Very low	58.9	Low	94 Å²	94	108.6 Å²	108.6	78%	0.777	64%	0.636	S	S	*	*			trans	-65.9	93.6	178.5	0	0	0	0	0	108.1	K237 T241	K237-A239 PolarHBondContact O-N 3.45Å; A239-T241 VanDerWaalsContact C-N 3.29Å; A239-T241 PolarHBondContact O-N 2.83Å
240	H	47.5	Very low	60.4	Low	165 Å²	165	101.4 Å²	101.4	76%	0.764	60%	0.603	S	S	*	*			trans	-58.3	100.7	164.9	-78.1	-76.9	0	0	0	106.9	P238 N242	P238-H240 VanDerWaalsContact C-N 3.28Å; P238-H240 PolarHBondContact O-N 3.31Å; H240-N242 PolarHBondContact O-N 3.2Å; H240-N242 VanDerWaalsContact O-N 3.1Å
241	T	47.7	Very low	62.6	Low	109 Å²	109	99.3 Å²	99.3	67%	0.669	58%	0.579	S	S	*	*			trans	-56.6	116.5	168.1	43.2	0	0	0	0	106.3	A239 Q243	A239-T241 VanDerWaalsContact C-N 3.29Å; A239-T241 PolarHBondContact O-N 2.83Å; T241-Q243 PolarHBondContact O-N 3.02Å
242	N	60.4	Low	64.3	Low	167 Å²	167	98 Å²	98	89%	0.893	56%	0.556	S	S	*	*			trans	-73.4	55.7	176.7	-85.7	-45.6	0	0	0	109.9	H240	H240-N242 PolarHBondContact O-N 3.2Å; H240-N242 VanDerWaalsContact O-N 3.1Å
243	Q	66.7	Low	65.9	Low	156 Å²	156	99.3 Å²	99.3	73%	0.729	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-68.8	132.5	171.3	-64.2	-131.7	11.5	0	0	108.3	T241 K245	T241-Q243 PolarHBondContact O-N 3.02Å; Q243-K245 PolarHBondContact O-N 3.12Å
244	P	77.7	Confident	66.3	Low	98 Å²	98	92.8 Å²	92.8	64%	0.636	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-69.3	128.3	176.6	28.7	-32.7	0	0	0	109.4	T246	P244-T246 PolarHBondContact O-N 3.46Å
245	K	84.9	Confident	67.2	Low	81 Å²	81	91.2 Å²	91.2	35%	0.352	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-48.7	134	178.2	-71.8	-160.7	179.6	-163.7	0	112.4	Q243 E249 F250 E253	Q243-K245 PolarHBondContact O-N 3.12Å; K245-E249 WeakPolarHBondContact CA-OE2 3.26Å; K245-E249 HydrophobicContact CB-CB 4.36Å; K245-E249 WeakPolarHBondContact CB-OE2 3.4Å; K245-E249 WeakPolarHBondContact CG-OE2 3.26Å; K245-F250 HydrophobicContact CB-CD2 4.05Å; K245-F250 HydrophobicContact CB-CE1 4.46Å; K245-F250 HydrophobicContact CB-CE2 3.58Å; K245-F250 HydrophobicContact CB-CZ 3.82Å; K245-F250 HydrophobicContact CD-CE1 4.23Å; K245-F250 HydrophobicContact CD-CZ 4.34Å; K245-F250 WeakPolarHBondContact O-CE2 3.39Å; K245-E253 IonicContact NZ-OE1 2.74Å; K245-E253 PolarHBondContact NZ-OE1 3.32Å; K245-E253 IonicContact NZ-OE2 3.44Å; K245-E253 PolarHBondContact NZ-OE2 3.17Å
246	T	90.6	Very high	67.6	Low	57 Å²	57	94.8 Å²	94.8	35%	0.35	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-68.5	166.2	175.8	62.2	0	0	0	0	111.8	P244 E248 E249 F250	P244-T246 PolarHBondContact O-N 3.46Å; T246-E248 VanDerWaalsContact C-N 3.25Å; T246-E248 PolarHBondContact O-N 3.41Å; T246-E249 WeakPolarHBondContact CB-OE1 3.41Å; T246-E249 WeakPolarHBondContact CG2-OE1 3.47Å; T246-E249 PolarHBondContact N-OE1 3.03Å; T246-E249 PolarHBondContact N-OE2 3.44Å; T246-E249 WeakPolarHBondContact OG1-CB 3.29Å; T246-E249 VanDerWaalsContact OG1-CG 3.23Å; T246-E249 WeakPolarHBondContact OG1-CG 3.39Å; T246-E249 PolarHBondContact OG1-N 3.41Å; T246-E249 PolarHBondContact OG1-OE1 3.32Å; T246-F250 WeakPolarHBondContact O-CD2 3.2Å; T246-F250 PolarHBondContact O-N 2.97Å; T246-F250 VanDerWaalsContact O-N 3.14Å
247	L	92.3	Very high	68.1	Low	1 Å²	1	96.2 Å²	96.2	1%	0.005	51%	0.508	C	S	.	.	H	α-helix	trans	-62.7	-39.5	176.2	169.9	61.9	0	0	0	110.6	F85 P87 L95 F250 I251 L378 I381 A382	F85-L247 HydrophobicContact CD1-CD2 3.99Å; F85-L247 HydrophobicContact CE1-CD1 4.49Å; F85-L247 HydrophobicContact CE1-CD2 3.98Å; P87-L247 HydrophobicContact CG-CB 3.93Å; P87-L247 HydrophobicContact CG-CD1 4.07Å; L95-L247 HydrophobicContact CD1-CD1 3.97Å; L95-L247 HydrophobicContact CD2-CD1 4.48Å; L247-F250 PolarHBondContact O-N 3.42Å; L247-I251 HydrophobicContact CD1-CD1 3.9Å; L247-I251 HydrophobicContact CD1-CG1 4.44Å; L247-I251 HydrophobicContact CG-CD1 3.89Å; L247-I251 WeakPolarHBondContact O-CD1 3.46Å; L247-I251 WeakPolarHBondContact O-CG1 3.35Å; L247-I251 PolarHBondContact O-N 2.89Å; L247-L378 HydrophobicContact CD1-CB 4.21Å; L247-L378 HydrophobicContact CD1-CD2 4.23Å; L247-I381 HydrophobicContact CD2-CB 4.2Å; L247-I381 HydrophobicContact CD2-CG2 3.77Å; L247-A382 HydrophobicContact CD2-CB 3.99Å; L247-A382 HydrophobicContact CG-CB 4.25Å
248	E	93.1	Very high	68.5	Low	54 Å²	54	93.5 Å²	93.5	25%	0.252	51%	0.513	S	S	.	.	H	α-helix	trans	-67.2	-43.3	-178.8	-63.1	67.7	-152.9	0	0	110.6	T246 F250 I251 N252 R385	T246-E248 VanDerWaalsContact C-N 3.25Å; T246-E248 PolarHBondContact O-N 3.41Å; E248-F250 PolarHBondContact O-N 3.36Å; E248-I251 PolarHBondContact O-N 2.8Å; E248-I251 VanDerWaalsContact O-N 3.14Å; E248-N252 WeakPolarHBondContact O-CB 3.17Å; E248-N252 PolarHBondContact O-N 2.67Å; E248-N252 PolarHBondContact O-ND2 3.23Å; E248-R385 WeakPolarHBondContact OE1-CD 3.5Å; E248-R385 IonicContact OE1-CZ 3.16Å; E248-R385 IonicContact OE1-NE 2.69Å; E248-R385 IonicContact OE1-NH1 3.13Å; E248-R385 PolarHBondContact OE1-NH1 3.02Å; E248-R385 IonicContact OE2-NH1 2.72Å; E248-R385 PolarHBondContact OE2-NH1 3.22Å
249	E	91.1	Very high	68.9	Low	89 Å²	89	92.6 Å²	92.6	42%	0.416	51%	0.509	S	S	.	.	H	α-helix	trans	-59.3	-43.2	170.2	-75.8	154.9	-123.7	0	0	112.5	K245 T246 I251 N252 E253	K245-E249 WeakPolarHBondContact CA-OE2 3.26Å; K245-E249 HydrophobicContact CB-CB 4.36Å; K245-E249 WeakPolarHBondContact CB-OE2 3.4Å; K245-E249 WeakPolarHBondContact CG-OE2 3.26Å; T246-E249 WeakPolarHBondContact CB-OE1 3.41Å; T246-E249 WeakPolarHBondContact CG2-OE1 3.47Å; T246-E249 PolarHBondContact N-OE1 3.03Å; T246-E249 PolarHBondContact N-OE2 3.44Å; T246-E249 WeakPolarHBondContact OG1-CB 3.29Å; T246-E249 VanDerWaalsContact OG1-CG 3.23Å; T246-E249 WeakPolarHBondContact OG1-CG 3.39Å; T246-E249 PolarHBondContact OG1-N 3.41Å; T246-E249 PolarHBondContact OG1-OE1 3.32Å; E249-I251 PolarHBondContact O-N 2.86Å; E249-N252 PolarHBondContact O-N 3.09Å; E249-E253 VanDerWaalsContact O-CB 3.26Å; E249-E253 WeakPolarHBondContact O-CB 3.27Å; E249-E253 PolarHBondContact O-N 3Å
250	F	88.6	Confident	69.2	Low	13 Å²	13	93.1 Å²	93.1	6%	0.057	51%	0.507	C	S	.	.	H	α-helix	trans	-64.1	-29	175.9	-83.1	-64.2	0	0	0	113	K92 L95 N99 K245 T246 L247 E248	K92-F250 HydrophobicContact CD-CE2 4.14Å; K92-F250 HydrophobicContact CD-CZ 4.17Å; K92-F250 VanDerWaalsContact CE-CE2 3.43Å; K92-F250 HydrophobicContact CG-CD2 4.48Å; K92-F250 HydrophobicContact CG-CE2 3.89Å; K92-F250 HydrophobicContact CG-CZ 3.94Å; L95-F250 HydrophobicContact CB-CB 4.21Å; L95-F250 HydrophobicContact CD1-CB 3.81Å; L95-F250 HydrophobicContact CD1-CD2 4.44Å; L95-F250 HydrophobicContact CD1-CG 4.17Å; L95-F250 HydrophobicContact CD2-CB 4.44Å; L95-F250 HydrophobicContact CG-CB 4.36Å; N99-F250 PolarHBondContact ND2-O 3.35Å; K245-F250 HydrophobicContact CB-CD2 4.05Å; K245-F250 HydrophobicContact CB-CE1 4.46Å; K245-F250 HydrophobicContact CB-CE2 3.58Å; K245-F250 HydrophobicContact CB-CZ 3.82Å; K245-F250 HydrophobicContact CD-CE1 4.23Å; K245-F250 HydrophobicContact CD-CZ 4.34Å; K245-F250 WeakPolarHBondContact O-CE2 3.39Å; T246-F250 WeakPolarHBondContact O-CD2 3.2Å; T246-F250 PolarHBondContact O-N 2.97Å; T246-F250 VanDerWaalsContact O-N 3.14Å; L247-F250 PolarHBondContact O-N 3.42Å; E248-F250 PolarHBondContact O-N 3.36Å
251	I	89.4	Confident	69.7	Low	9 Å²	9	91.8 Å²	91.8	5%	0.046	51%	0.505	C	S	.	.	H	α-helix	trans	-77.8	-38	176.9	-71.8	162.2	0	0	0	110.7	L95 L247 E248 E249 S254 A382	L95-I251 HydrophobicContact CD2-CG1 3.94Å; L247-I251 HydrophobicContact CD1-CD1 3.9Å; L247-I251 HydrophobicContact CD1-CG1 4.44Å; L247-I251 HydrophobicContact CG-CD1 3.89Å; L247-I251 WeakPolarHBondContact O-CD1 3.46Å; L247-I251 WeakPolarHBondContact O-CG1 3.35Å; L247-I251 PolarHBondContact O-N 2.89Å; E248-I251 PolarHBondContact O-N 2.8Å; E248-I251 VanDerWaalsContact O-N 3.14Å; E249-I251 PolarHBondContact O-N 2.86Å; I251-S254 PolarHBondContact O-OG 2.99Å; I251-A382 HydrophobicContact CD1-CB 3.5Å; I251-A382 VanDerWaalsContact CD1-CB 3.5Å
252	N	83.4	Confident	71	Confident	84 Å²	84	88.5 Å²	88.5	45%	0.449	48%	0.481	S	S	.	.	H	α-helix	trans	-88.2	-19.1	-174	-63.6	-10.8	0	0	0	114.1	E248 E249 S254 L255	E248-N252 WeakPolarHBondContact O-CB 3.17Å; E248-N252 PolarHBondContact O-N 2.67Å; E248-N252 PolarHBondContact O-ND2 3.23Å; E249-N252 PolarHBondContact O-N 3.09Å; N252-S254 PolarHBondContact O-N 3.31Å; N252-L255 WeakPolarHBondContact O-CB 3.28Å; N252-L255 PolarHBondContact O-N 2.92Å
253	E	75.2	Confident	72.4	Confident	87 Å²	87	81.7 Å²	81.7	41%	0.407	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-11.8	178.3	172.5	168.4	-150	0	0	114.5	K245 E249	K245-E253 IonicContact NZ-OE1 2.74Å; K245-E253 PolarHBondContact NZ-OE1 3.32Å; K245-E253 IonicContact NZ-OE2 3.44Å; K245-E253 PolarHBondContact NZ-OE2 3.17Å; E249-E253 VanDerWaalsContact O-CB 3.26Å; E249-E253 WeakPolarHBondContact O-CB 3.27Å; E249-E253 PolarHBondContact O-N 3Å
254	S	58.6	Low	73.6	Confident	17 Å²	17	78.6 Å²	78.6	12%	0.119	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-1.9	176.2	59.9	0	0	0	0	115.3	I251 N252	I251-S254 PolarHBondContact O-OG 2.99Å; N252-S254 PolarHBondContact O-N 3.31Å
255	L	59.2	Low	74.5	Confident	118 Å²	118	75.8 Å²	75.8	62%	0.618	41%	0.411	S	S	*	.	S	Bend	trans	-103.1	-5.2	-170.8	-59.7	176.1	0	0	0	115	N252	N252-L255 WeakPolarHBondContact O-CB 3.28Å; N252-L255 PolarHBondContact O-N 2.92Å
256	E	53	Low	75	Confident	174 Å²	174	76.2 Å²	76.2	81%	0.813	41%	0.41	S	S	*	.	S	Bend	trans	-95.9	-15	-167.3	-65.9	-178.9	173.6	0	0	115
257	D	50.5	Low	75.4	Confident	158 Å²	158	76 Å²	76	85%	0.845	41%	0.407	S	S	*	.	S	Bend	trans	-111.1	134.8	176.8	-82.4	-39.9	0	0	0	111.5	S259	D257-S259 PolarHBondContact O-N 3.13Å
258	S	48.3	Very low	75.7	Confident	130 Å²	130	76.3 Å²	76.3	91%	0.909	41%	0.408	S	S	*	.	S	Bend	trans	-88.1	109.9	-157	45.4	0	0	0	0	117
259	S	47.9	Very low	75.9	Confident	84 Å²	84	75.2 Å²	75.2	59%	0.587	40%	0.402	S	S	*	.	S	Bend	trans	-152.6	129.4	140.1	68.5	0	0	0	0	108.3	D257	D257-S259 PolarHBondContact O-N 3.13Å
260	S	46.6	Very low	76.2	Confident	104 Å²	104	71.2 Å²	71.2	73%	0.727	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	143.5	-167.6	-54.4	0	0	0	0	115.9	R262	S260-R262 PolarHBondContact O-N 3.38Å
261	D	57.8	Low	76.5	Confident	137 Å²	137	72.2 Å²	72.2	73%	0.733	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	34.5	150.8	-51.3	-32.4	0	0	0	119.3
262	R	76.4	Confident	76.8	Confident	41 Å²	41	75.2 Å²	75.2	16%	0.155	41%	0.41	C	S	.	.	S	Bend	trans	-74.2	-30.4	-179.3	-65.3	-153.1	62.4	-152.1	-11.4	116.3	Y101 I102 S260 L339 D340	Y101-R262 PolarHBondContact O-NH1 3.5Å; Y101-R262 VanDerWaalsContact O-NH1 3.15Å; Y101-R262 PolarHBondContact O-NH2 2.87Å; I102-R262 VanDerWaalsContact C-NH1 3.33Å; I102-R262 HydrophobicContact CG2-CB 3.97Å; I102-R262 VanDerWaalsContact O-CD 3.28Å; I102-R262 WeakPolarHBondContact O-CD 3.14Å; I102-R262 PolarHBondContact O-NE 3.28Å; I102-R262 PolarHBondContact O-NH1 3.4Å; S260-R262 PolarHBondContact O-N 3.38Å; R262-L339 WeakPolarHBondContact O-CA 3.37Å; R262-L339 WeakPolarHBondContact O-CD1 3.34Å; R262-L339 WeakPolarHBondContact O-CG 3.39Å; R262-D340 IonicContact NE-OD1 3.55Å
263	L	89.2	Confident	77.4	Confident	24 Å²	24	73.9 Å²	73.9	13%	0.126	41%	0.406	C	S	.	.			trans	-147.9	115.3	169.6	-178.5	73.3	0	0	0	112.4	M98 I102 V265 W338 L339 Y375	M98-L263 HydrophobicContact CE-CD1 4.19Å; M98-L263 HydrophobicContact CE-CD2 3.84Å; I102-L263 HydrophobicContact CD1-CB 4Å; I102-L263 HydrophobicContact CD1-CD2 3.64Å; I102-L263 HydrophobicContact CD1-CG 4.44Å; I102-L263 HydrophobicContact CG1-CB 4.2Å; I102-L263 HydrophobicContact CG1-CD2 4.49Å; L263-V265 HydrophobicContact CG-CG2 4.47Å; L263-W338 CarbonylContact C-O 3.58Å; L263-W338 WeakPolarHBondContact CA-O 3.42Å; L263-L339 HydrophobicContact CD1-CD1 4.29Å; L263-Y375 HydrophobicContact CD2-CE1 4.36Å
264	E	92.5	Very high	78.5	Confident	91 Å²	91	70.7 Å²	70.7	43%	0.425	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	143.9	169.4	-166	-167.4	157	0	0	110.2	R266 W338	E264-R266 HydrophobicContact CG-CG 4.23Å; E264-R266 WeakPolarHBondContact OE1-CD 3.38Å; E264-R266 WeakPolarHBondContact OE1-CG 3.48Å; E264-R266 IonicContact OE1-CZ 2.75Å; E264-R266 IonicContact OE1-NE 2.71Å; E264-R266 PolarHBondContact OE1-NE 2.9Å; E264-R266 IonicContact OE1-NH2 3.25Å; E264-R266 IonicContact OE2-CZ 3.42Å; E264-R266 VanDerWaalsContact OE2-CZ 3.25Å; E264-R266 IonicContact OE2-NE 2.87Å; E264-R266 PolarHBondContact OE2-NE 3.49Å; E264-R266 VanDerWaalsContact OE2-NE 3.09Å; E264-R266 IonicContact OE2-NH2 2.69Å; E264-R266 PolarHBondContact OE2-NH2 3.24Å; E264-W338 HydrophobicContact CB-CB 4.24Å; E264-W338 PolarHBondContact N-O 3.2Å; E264-W338 PolarHBondContact O-N 2.81Å
265	V	95.2	Very high	80.4	Confident	38 Å²	38	74.5 Å²	74.5	23%	0.23	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	109.6	173.2	179.3	0	0	0	0	109.6	L263 Q335 Q336 Y337 R379	L263-V265 HydrophobicContact CG-CG2 4.47Å; V265-Q335 HydrophobicContact CG1-CG 3.51Å; V265-Q336 CarbonylContact C-O 3.49Å; V265-Q336 VanDerWaalsContact CA-O 3.31Å; V265-Q336 WeakPolarHBondContact CA-O 3.43Å; V265-Y337 HydrophobicContact CG1-CE1 4.35Å; V265-Y337 HydrophobicContact CG2-CD1 3.57Å; V265-Y337 HydrophobicContact CG2-CE1 3.78Å; V265-Y337 HydrophobicContact CG2-CG 4.23Å; V265-R379 VanDerWaalsContact CG2-NH2 3.27Å
266	R	97	Very high	82.3	Confident	91 Å²	91	74.4 Å²	74.4	34%	0.343	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.2	-177.4	-61.7	-176.3	-175.7	152.1	3	110.1	E264 V268 Q335 Q336 W338	E264-R266 HydrophobicContact CG-CG 4.23Å; E264-R266 WeakPolarHBondContact OE1-CD 3.38Å; E264-R266 WeakPolarHBondContact OE1-CG 3.48Å; E264-R266 IonicContact OE1-CZ 2.75Å; E264-R266 IonicContact OE1-NE 2.71Å; E264-R266 PolarHBondContact OE1-NE 2.9Å; E264-R266 IonicContact OE1-NH2 3.25Å; E264-R266 IonicContact OE2-CZ 3.42Å; E264-R266 VanDerWaalsContact OE2-CZ 3.25Å; E264-R266 IonicContact OE2-NE 2.87Å; E264-R266 PolarHBondContact OE2-NE 3.49Å; E264-R266 VanDerWaalsContact OE2-NE 3.09Å; E264-R266 IonicContact OE2-NH2 2.69Å; E264-R266 PolarHBondContact OE2-NH2 3.24Å; R266-V268 HydrophobicContact CB-CG1 4.48Å; R266-Q335 CarbonylContact O-C 3.55Å; R266-Q335 WeakPolarHBondContact O-CA 3.36Å; R266-Q336 PolarHBondContact N-O 2.78Å; R266-Q336 PolarHBondContact O-N 3.08Å; R266-W338 VanDerWaalsContact NH1-CE2 3.32Å
267	L	98.2	Very high	84.4	Confident	53 Å²	53	66.6 Å²	66.6	28%	0.277	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118	167.5	-174.1	77.4	0	0	0	108.4	M328 F333 Q335 I349 I351 F383	L267-M328 HydrophobicContact CD2-CB 4.38Å; L267-M328 HydrophobicContact CD2-CG 3.76Å; L267-F333 HydrophobicContact CD1-CB 3.67Å; L267-F333 HydrophobicContact CD1-CD1 4.2Å; L267-F333 HydrophobicContact CD1-CG 4.09Å; L267-F333 HydrophobicContact CD2-CD1 3.96Å; L267-F333 HydrophobicContact CD2-CE1 4.21Å; L267-F333 HydrophobicContact CD2-CG 4.47Å; L267-F333 HydrophobicContact CG-CB 4.21Å; L267-F333 HydrophobicContact CG-CD1 3.83Å; L267-F333 HydrophobicContact CG-CG 4.24Å; L267-Q335 HydrophobicContact CD1-CB 4.44Å; L267-I349 HydrophobicContact CD1-CD1 3.9Å; L267-I351 HydrophobicContact CD2-CD1 4.14Å; L267-F383 HydrophobicContact CD1-CE1 4.28Å; L267-F383 HydrophobicContact CD1-CZ 4.2Å; L267-F383 HydrophobicContact CD2-CE1 4.47Å; L267-F383 HydrophobicContact CD2-CE2 4.36Å; L267-F383 HydrophobicContact CD2-CZ 3.68Å
268	V	97.9	Very high	86.7	Confident	6 Å²	6	65.6 Å²	65.6	4%	0.036	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.8	177.1	-56.1	0	0	0	0	110.1	R266 Q276 F277 F333 H334 Q336	R266-V268 HydrophobicContact CB-CG1 4.48Å; V268-Q276 HydrophobicContact CB-CB 4.34Å; V268-Q276 HydrophobicContact CG1-CB 3.68Å; V268-F277 HydrophobicContact CB-CB 4.26Å; V268-F277 HydrophobicContact CG2-CB 4.16Å; V268-F277 HydrophobicContact CG2-CD2 4.06Å; V268-F333 CarbonylContact O-C 3.41Å; V268-F333 VanDerWaalsContact O-CA 3.25Å; V268-F333 WeakPolarHBondContact O-CA 3.41Å; V268-F333 WeakPolarHBondContact O-CB 3.33Å; V268-H334 HydrophobicContact CG2-CB 3.83Å; V268-H334 WeakPolarHBondContact CG2-O 3.44Å; V268-H334 PolarHBondContact N-O 3.29Å; V268-H334 PolarHBondContact O-N 3.07Å; V268-Q336 HydrophobicContact CG2-CG 4.16Å
269	R	98.4	Very high	89	Confident	31 Å²	31	63.9 Å²	63.9	12%	0.117	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	121.7	-178.7	-178.3	-178.3	-81.2	-80.8	6.4	109.9	N271 P272 S274 F277 A319 M328 Y330 F333	R269-N271 WeakPolarHBondContact CD-O 3.32Å; R269-N271 WeakPolarHBondContact CG-O 3.38Å; R269-N271 PolarHBondContact NH1-O 3.37Å; R269-P272 WeakPolarHBondContact CG-O 3.49Å; R269-S274 PolarHBondContact O-N 2.82Å; R269-F277 VanDerWaalsContact O-CB 3.28Å; R269-F277 WeakPolarHBondContact O-CB 3.49Å; R269-A319 VanDerWaalsContact NH1-CB 3.28Å; R269-M328 PolarHBondContact NH2-O 3.06Å; R269-Y330 PolarHBondContact NH1-O 2.98Å; R269-Y330 PolarHBondContact NH2-O 3.35Å; R269-F333 HydrophobicContact CB-CD1 3.82Å; R269-F333 HydrophobicContact CB-CE1 3.83Å; R269-F333 HydrophobicContact CG-CD1 4.34Å; R269-F333 HydrophobicContact CG-CE1 4.16Å
270	S	97.2	Very high	91.4	Very high	5 Å²	5	60.1 Å²	60.1	4%	0.035	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-33	179	72.5	0	0	0	0	112.3	P272 P273 F277 C313 S332	S270-P272 CarbonylContact O-C 3.48Å; S270-P273 VanDerWaalsContact O-CA 3.27Å; S270-P273 WeakPolarHBondContact O-CA 3.25Å; S270-F277 VanDerWaalsContact CB-CE2 3.49Å; S270-C313 PolarHBondContact OG-O 3.15Å; S270-S332 PolarHBondContact N-O 3.39Å; S270-S332 PolarHBondContact OG-O 3.19Å
271	N	94.6	Very high	93.9	Very high	34 Å²	34	55.7 Å²	55.7	18%	0.182	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	123.4	178.2	-161.1	62.3	0	0	0	112.8	R269 S315 L317 S332	R269-N271 WeakPolarHBondContact CD-O 3.32Å; R269-N271 WeakPolarHBondContact CG-O 3.38Å; R269-N271 PolarHBondContact NH1-O 3.37Å; N271-S315 PolarHBondContact ND2-O 3.36Å; N271-L317 PolarHBondContact ND2-O 2.72Å; N271-S332 PolarHBondContact N-O 3.03Å
272	P	95.4	Very high	95.8	Very high	73 Å²	73	54.3 Å²	54.3	47%	0.474	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	cis	-59.5	151.2	-22.7	29.6	-35.1	0	0	0	110.5	R269 S270 S274	R269-P272 WeakPolarHBondContact CG-O 3.49Å; S270-P272 CarbonylContact O-C 3.48Å; P272-S274 PolarHBondContact O-N 3.16Å
273	P	97.1	Very high	96.9	Very high	56 Å²	56	54.6 Å²	54.6	36%	0.364	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	118.9	-170	24.7	-34.5	0	0	0	112.7	S270 F277 K278	S270-P273 VanDerWaalsContact O-CA 3.27Å; S270-P273 WeakPolarHBondContact O-CA 3.25Å; P273-F277 HydrophobicContact CB-CD1 3.49Å; P273-F277 VanDerWaalsContact CB-CD1 3.49Å; P273-F277 HydrophobicContact CB-CE1 3.96Å; P273-F277 HydrophobicContact CB-CG 4.38Å; P273-K278 HydrophobicContact CB-CG 4.3Å; P273-K278 WeakPolarHBondContact O-CE 3.39Å
274	S	98.1	Very high	97.3	Very high	20 Å²	20	53.5 Å²	53.5	14%	0.14	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-70.5	163.9	177.2	89.6	0	0	0	0	112.5	R269 P272 Q276 F277 K278	R269-S274 PolarHBondContact O-N 2.82Å; P272-S274 PolarHBondContact O-N 3.16Å; S274-Q276 VanDerWaalsContact C-N 3.26Å; S274-Q276 PolarHBondContact O-N 3.42Å; S274-Q276 PolarHBondContact OG-N 2.79Å; S274-Q276 PolarHBondContact OG-OE1 2.94Å; S274-F277 WeakPolarHBondContact O-CB 3.36Å; S274-F277 PolarHBondContact O-N 3.1Å; S274-F277 PolarHBondContact OG-N 3.4Å; S274-K278 WeakPolarHBondContact O-CG 3.28Å; S274-K278 PolarHBondContact O-N 3.49Å
275	P	98.3	Very high	97.5	Very high	97 Å²	97	50.5 Å²	50.5	63%	0.63	28%	0.283	S	S	*	.	H	α-helix	trans	-55.4	-40.1	173.3	-26	35.7	0	0	0	113.1	K278 A279	P275-K278 PolarHBondContact O-N 2.77Å; P275-A279 WeakPolarHBondContact O-CB 3.44Å; P275-A279 PolarHBondContact O-N 3.44Å
276	Q	97.8	Very high	97.7	Very high	116 Å²	116	53.6 Å²	53.6	54%	0.542	30%	0.295	S	S	.	.	H	α-helix	trans	-67.1	-39.6	178	-57.1	79	6.6	0	0	111.7	V268 S274 A279 S280	V268-Q276 HydrophobicContact CB-CB 4.34Å; V268-Q276 HydrophobicContact CG1-CB 3.68Å; S274-Q276 VanDerWaalsContact C-N 3.26Å; S274-Q276 PolarHBondContact O-N 3.42Å; S274-Q276 PolarHBondContact OG-N 2.79Å; S274-Q276 PolarHBondContact OG-OE1 2.94Å; Q276-A279 PolarHBondContact O-N 3.48Å; Q276-S280 WeakPolarHBondContact O-CB 3.28Å; Q276-S280 PolarHBondContact O-N 2.92Å; Q276-S280 VanDerWaalsContact O-N 3.11Å; Q276-S280 PolarHBondContact O-OG 3.43Å
277	F	98.1	Very high	97.7	Very high	10 Å²	10	49.6 Å²	49.6	4%	0.044	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-46.3	173.6	176.7	-90.5	0	0	0	111.2	V268 R269 S270 P273 S274 S280 F281 C313 H334	V268-F277 HydrophobicContact CB-CB 4.26Å; V268-F277 HydrophobicContact CG2-CB 4.16Å; V268-F277 HydrophobicContact CG2-CD2 4.06Å; R269-F277 VanDerWaalsContact O-CB 3.28Å; R269-F277 WeakPolarHBondContact O-CB 3.49Å; S270-F277 VanDerWaalsContact CB-CE2 3.49Å; P273-F277 HydrophobicContact CB-CD1 3.49Å; P273-F277 VanDerWaalsContact CB-CD1 3.49Å; P273-F277 HydrophobicContact CB-CE1 3.96Å; P273-F277 HydrophobicContact CB-CG 4.38Å; S274-F277 WeakPolarHBondContact O-CB 3.36Å; S274-F277 PolarHBondContact O-N 3.1Å; S274-F277 PolarHBondContact OG-N 3.4Å; F277-S280 PolarHBondContact O-N 2.69Å; F277-S280 PolarHBondContact O-OG 2.74Å; F277-F281 AromaticContact CE1-CD2 3.96Å; F277-F281 HydrophobicContact CE1-CD2 3.96Å; F277-F281 HydrophobicContact CZ-CD2 4.02Å; F277-F281 PolarHBondContact O-N 2.86Å; F277-C313 HydrophobicContact CZ-CB 3.78Å; F277-H334 AromaticContact CE2-CE1 3.78Å; F277-H334 AromaticContact CE2-ND1 3.75Å
278	K	98.1	Very high	97.7	Very high	136 Å²	136	47.3 Å²	47.3	59%	0.591	27%	0.269	S	S	*	.	H	α-helix	trans	-60.8	-46.6	176.5	-66.8	174	-175.9	178.6	0	112	P273 S274 P275 S280 F281	P273-K278 HydrophobicContact CB-CG 4.3Å; P273-K278 WeakPolarHBondContact O-CE 3.39Å; S274-K278 WeakPolarHBondContact O-CG 3.28Å; S274-K278 PolarHBondContact O-N 3.49Å; P275-K278 PolarHBondContact O-N 2.77Å; K278-S280 PolarHBondContact O-N 3.05Å; K278-F281 WeakPolarHBondContact O-CB 3.44Å; K278-F281 PolarHBondContact O-N 3.29Å
279	A	98.3	Very high	97.6	Very high	94 Å²	94	49.5 Å²	49.5	78%	0.777	28%	0.278	S	S	*	.	H	α-helix	trans	-67.1	-20.4	-179.3	0	0	0	0	0	114.3	P275 Q276	P275-A279 WeakPolarHBondContact O-CB 3.44Å; P275-A279 PolarHBondContact O-N 3.44Å; Q276-A279 PolarHBondContact O-N 3.48Å
280	S	98.1	Very high	97.5	Very high	6 Å²	6	51.3 Å²	51.3	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-106.6	-1.7	179.4	55.9	0	0	0	0	113.8	Q276 F277 K278 D282 A283 S284 Q336	Q276-S280 WeakPolarHBondContact O-CB 3.28Å; Q276-S280 PolarHBondContact O-N 2.92Å; Q276-S280 VanDerWaalsContact O-N 3.11Å; Q276-S280 PolarHBondContact O-OG 3.43Å; F277-S280 PolarHBondContact O-N 2.69Å; F277-S280 PolarHBondContact O-OG 2.74Å; K278-S280 PolarHBondContact O-N 3.05Å; S280-D282 PolarHBondContact O-N 2.84Å; S280-A283 PolarHBondContact O-N 3.49Å; S280-S284 WeakPolarHBondContact O-CB 3.36Å; S280-S284 PolarHBondContact O-N 3.33Å; S280-Q336 PolarHBondContact OG-NE2 2.86Å
281	F	98.4	Very high	97.5	Very high	11 Å²	11	51.1 Å²	51.1	5%	0.048	29%	0.288	C	S	.	.	H	α-helix	trans	-56.9	-50.8	-170.6	178.3	-91.7	0	0	0	112.7	F277 K278 A283 S284 Y285 E305 F308 R309	F277-F281 AromaticContact CE1-CD2 3.96Å; F277-F281 HydrophobicContact CE1-CD2 3.96Å; F277-F281 HydrophobicContact CZ-CD2 4.02Å; F277-F281 PolarHBondContact O-N 2.86Å; K278-F281 WeakPolarHBondContact O-CB 3.44Å; K278-F281 PolarHBondContact O-N 3.29Å; F281-A283 PolarHBondContact O-N 3.36Å; F281-S284 VanDerWaalsContact O-CB 3.28Å; F281-S284 WeakPolarHBondContact O-CB 3.5Å; F281-S284 PolarHBondContact O-N 3.04Å; F281-Y285 WeakPolarHBondContact O-CB 3.42Å; F281-Y285 PolarHBondContact O-N 2.95Å; F281-E305 HydrophobicContact CE1-CG 3.64Å; F281-E305 WeakPolarHBondContact CE1-OE1 3.4Å; F281-E305 HydrophobicContact CZ-CG 3.71Å; F281-F308 HydrophobicContact CD2-CE1 4.16Å; F281-F308 AromaticContact CE2-CD1 3.84Å; F281-F308 HydrophobicContact CE2-CD1 3.84Å; F281-F308 AromaticContact CE2-CE1 3.67Å; F281-F308 HydrophobicContact CE2-CE1 3.67Å; F281-F308 AromaticContact CZ-CD1 3.79Å; F281-F308 HydrophobicContact CZ-CD1 3.79Å; F281-F308 AromaticContact CZ-CE1 4Å; F281-F308 HydrophobicContact CZ-CE1 4Å; F281-R309 VanDerWaalsContact CE1-NH2 3.31Å; F281-R309 HydrophobicContact CE2-CG 3.91Å; F281-R309 HydrophobicContact CZ-CG 3.69Å
282	D	98.2	Very high	97.5	Very high	108 Å²	108	50 Å²	50	58%	0.578	28%	0.282	S	S	*	.	H	α-helix	trans	-64	-44.8	-177.1	-61.2	-34.3	0	0	0	111.7	S280 S284 Y285 Q286	S280-D282 PolarHBondContact O-N 2.84Å; D282-S284 VanDerWaalsContact C-N 3.29Å; D282-S284 PolarHBondContact O-N 3.18Å; D282-Y285 PolarHBondContact O-N 2.95Å; D282-Q286 WeakPolarHBondContact O-CG 3.38Å; D282-Q286 PolarHBondContact O-N 3.23Å
283	A	98.1	Very high	97.4	Very high	46 Å²	46	49.7 Å²	49.7	38%	0.38	28%	0.275	S	S	.	.	H	α-helix	trans	-60.1	-41.1	175.3	0	0	0	0	0	111.5	S280 F281 V287 I343	S280-A283 PolarHBondContact O-N 3.49Å; F281-A283 PolarHBondContact O-N 3.36Å; A283-V287 WeakPolarHBondContact O-CG2 3.27Å; A283-V287 PolarHBondContact O-N 3.41Å; A283-I343 HydrophobicContact CB-CD1 3.89Å; A283-I343 HydrophobicContact CB-CG1 4.42Å
284	S	98	Very high	97.3	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.007	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-46.5	175.3	-143.3	0	0	0	0	111.6	S280 F281 D282 V287 Y288 Y362	S280-S284 WeakPolarHBondContact O-CB 3.36Å; S280-S284 PolarHBondContact O-N 3.33Å; F281-S284 VanDerWaalsContact O-CB 3.28Å; F281-S284 WeakPolarHBondContact O-CB 3.5Å; F281-S284 PolarHBondContact O-N 3.04Å; D282-S284 VanDerWaalsContact C-N 3.29Å; D282-S284 PolarHBondContact O-N 3.18Å; S284-V287 PolarHBondContact O-N 3.5Å; S284-Y288 PolarHBondContact O-N 2.81Å; S284-Y362 VanDerWaalsContact O-CE2 3.24Å; S284-Y362 WeakPolarHBondContact O-CE2 3.49Å; S284-Y362 PolarHBondContact OG-OH 3.24Å
285	Y	98.2	Very high	96.8	Very high	28 Å²	28	48.7 Å²	48.7	11%	0.11	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-40.5	179.3	169.6	-125.2	0	0	0	112.4	F281 D282 V287 Y288 K289 P303 E305 F308	F281-Y285 WeakPolarHBondContact O-CB 3.42Å; F281-Y285 PolarHBondContact O-N 2.95Å; D282-Y285 PolarHBondContact O-N 2.95Å; Y285-V287 PolarHBondContact O-N 2.76Å; Y285-Y288 HydrophobicContact CD2-CD1 4.12Å; Y285-Y288 HydrophobicContact CE2-CD1 4.34Å; Y285-Y288 WeakPolarHBondContact O-CB 3.38Å; Y285-Y288 PolarHBondContact O-N 2.67Å; Y285-K289 HydrophobicContact CE2-CB 4.45Å; Y285-K289 WeakPolarHBondContact O-CB 3.31Å; Y285-K289 PolarHBondContact O-N 2.82Å; Y285-P303 PolarHBondContact OH-O 3.48Å; Y285-E305 HydrophobicContact CD1-CG 4.45Å; Y285-E305 HydrophobicContact CE1-CB 4.09Å; Y285-E305 HydrophobicContact CE1-CG 4.49Å; Y285-E305 HydrophobicContact CE2-CB 4.33Å; Y285-E305 PolarHBondContact OH-N 3.12Å; Y285-F308 HydrophobicContact CD2-CB 3.71Å; Y285-F308 AromaticContact CD2-CD1 3.81Å; Y285-F308 HydrophobicContact CD2-CD1 3.81Å; Y285-F308 AromaticContact CD2-CG 3.8Å; Y285-F308 HydrophobicContact CD2-CG 3.8Å; Y285-F308 HydrophobicContact CE2-CB 4.13Å; Y285-F308 HydrophobicContact CG-CD1 4.1Å
286	Q	98	Very high	96.2	Very high	103 Å²	103	45.8 Å²	45.8	48%	0.481	25%	0.247	S	C	.	.	H	α-helix	trans	-63.4	-40	176.9	-64	-58.5	-13.4	0	0	112.2	D282 K289 L290	D282-Q286 WeakPolarHBondContact O-CG 3.38Å; D282-Q286 PolarHBondContact O-N 3.23Å; Q286-K289 PolarHBondContact O-N 2.79Å; Q286-L290 WeakPolarHBondContact O-CG 3.42Å; Q286-L290 PolarHBondContact O-N 2.91Å
287	V	97.8	Very high	95.9	Very high	8 Å²	8	48 Å²	48	5%	0.048	26%	0.255	C	S	.	.	H	α-helix	trans	-64.4	-41.1	174.4	-177.9	0	0	0	0	111	A283 S284 Y285 Y291 I343 Y362 H364	A283-V287 WeakPolarHBondContact O-CG2 3.27Å; A283-V287 PolarHBondContact O-N 3.41Å; S284-V287 PolarHBondContact O-N 3.5Å; Y285-V287 PolarHBondContact O-N 2.76Å; V287-Y291 VanDerWaalsContact O-CB 3.27Å; V287-Y291 WeakPolarHBondContact O-CB 3.25Å; V287-Y291 PolarHBondContact O-N 2.83Å; V287-I343 HydrophobicContact CG2-CB 4.31Å; V287-I343 HydrophobicContact CG2-CG2 4.18Å; V287-I343 WeakPolarHBondContact CG2-O 3.31Å; V287-Y362 HydrophobicContact CB-CD2 4.26Å; V287-Y362 HydrophobicContact CB-CE2 4.36Å; V287-Y362 HydrophobicContact CG1-CD2 4.01Å; V287-Y362 HydrophobicContact CG1-CE2 4.5Å; V287-H364 HydrophobicContact CG1-CB 4.17Å
288	Y	97.3	Very high	95.5	Very high	5 Å²	5	48.2 Å²	48.2	2%	0.02	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-46.5	173.4	167	-97.8	0	0	0	112	S284 Y285 Y291 Q292 P303 F308 L312 Y362	S284-Y288 PolarHBondContact O-N 2.81Å; Y285-Y288 HydrophobicContact CD2-CD1 4.12Å; Y285-Y288 HydrophobicContact CE2-CD1 4.34Å; Y285-Y288 WeakPolarHBondContact O-CB 3.38Å; Y285-Y288 PolarHBondContact O-N 2.67Å; Y288-Y291 WeakPolarHBondContact O-CB 3.44Å; Y288-Y291 PolarHBondContact O-N 2.85Å; Y288-Q292 HydrophobicContact CD1-CG 4.32Å; Y288-Q292 HydrophobicContact CD2-CG 4.24Å; Y288-Q292 HydrophobicContact CE1-CG 3.83Å; Y288-Q292 HydrophobicContact CE2-CG 3.74Å; Y288-Q292 WeakPolarHBondContact O-CG 3.21Å; Y288-Q292 PolarHBondContact O-N 3.27Å; Y288-P303 HydrophobicContact CE1-CB 4.18Å; Y288-F308 HydrophobicContact CD1-CB 3.85Å; Y288-F308 AromaticContact CD1-CD2 3.55Å; Y288-F308 HydrophobicContact CD1-CD2 3.55Å; Y288-F308 HydrophobicContact CD1-CE2 4.42Å; Y288-F308 AromaticContact CD1-CG 3.97Å; Y288-F308 HydrophobicContact CD1-CG 3.97Å; Y288-F308 AromaticContact CD2-CD2 3.85Å; Y288-F308 HydrophobicContact CD2-CD2 3.85Å; Y288-F308 HydrophobicContact CD2-CE2 4.28Å; Y288-F308 HydrophobicContact CE1-CB 3.83Å; Y288-F308 HydrophobicContact CE1-CD2 4.08Å; Y288-F308 HydrophobicContact CE1-CG 4.38Å; Y288-F308 HydrophobicContact CE2-CD2 4.34Å; Y288-F308 AromaticContact CG-CD2 3.42Å; Y288-F308 HydrophobicContact CG-CD2 3.42Å; Y288-F308 VanDerWaalsContact CG-CD2 3.42Å; Y288-F308 AromaticContact CG-CE2 3.9Å; Y288-F308 HydrophobicContact CG-CE2 3.9Å; Y288-F308 HydrophobicContact CG-CG 4.28Å; Y288-L312 HydrophobicContact CD2-CD1 3.51Å; Y288-L312 HydrophobicContact CE2-CD1 3.56Å; Y288-L312 HydrophobicContact CG-CD1 4.49Å; Y288-Y362 HydrophobicContact CD2-CD1 4.25Å; Y288-Y362 HydrophobicContact CD2-CG 4.31Å
289	K	96.8	Very high	95.2	Very high	52 Å²	52	44.8 Å²	44.8	23%	0.226	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-49	-179.6	177.1	160	-173.4	158	0	112	Y285 Q286 Y291 Q292 M293 P300 P303	Y285-K289 HydrophobicContact CE2-CB 4.45Å; Y285-K289 WeakPolarHBondContact O-CB 3.31Å; Y285-K289 PolarHBondContact O-N 2.82Å; Q286-K289 PolarHBondContact O-N 2.79Å; K289-Y291 VanDerWaalsContact C-N 3.28Å; K289-Y291 PolarHBondContact O-N 2.89Å; K289-Q292 PolarHBondContact O-N 3.09Å; K289-M293 HydrophobicContact CG-SD 3.9Å; K289-M293 WeakPolarHBondContact O-CG 3.47Å; K289-M293 PolarHBondContact O-N 2.59Å; K289-M293 VanDerWaalsContact O-N 3.1Å; K289-P300 WeakPolarHBondContact CE-O 3.28Å; K289-P300 PolarHBondContact NZ-O 3.13Å; K289-P303 HydrophobicContact CD-CG 4.44Å; K289-P303 HydrophobicContact CG-CB 4.42Å; K289-P303 HydrophobicContact CG-CG 3.95Å
290	L	96.7	Very high	94.8	Very high	69 Å²	69	44 Å²	44	36%	0.361	24%	0.236	S	C	.	.	H	α-helix	trans	-59.2	-40.4	175.2	-69.8	170.6	0	0	0	111.8	Q286 A294 P365	Q286-L290 WeakPolarHBondContact O-CG 3.42Å; Q286-L290 PolarHBondContact O-N 2.91Å; L290-A294 WeakPolarHBondContact O-CB 3.4Å; L290-A294 PolarHBondContact O-N 3.04Å; L290-P365 HydrophobicContact CB-CG 4.34Å
291	Y	95.8	Very high	94.3	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-65.5	-44.6	177	175.1	-94.8	0	0	0	112.7	M117 V287 Y288 K289 M293 A294 I295 H296 Y360 Y363	M117-Y291 PolarHBondContact O-OH 2.83Å; V287-Y291 VanDerWaalsContact O-CB 3.27Å; V287-Y291 WeakPolarHBondContact O-CB 3.25Å; V287-Y291 PolarHBondContact O-N 2.83Å; Y288-Y291 WeakPolarHBondContact O-CB 3.44Å; Y288-Y291 PolarHBondContact O-N 2.85Å; K289-Y291 VanDerWaalsContact C-N 3.28Å; K289-Y291 PolarHBondContact O-N 2.89Å; Y291-M293 PolarHBondContact O-N 3Å; Y291-A294 PolarHBondContact O-N 3.18Å; Y291-I295 HydrophobicContact CD2-CB 4.34Å; Y291-I295 HydrophobicContact CD2-CG1 3.61Å; Y291-I295 HydrophobicContact CE2-CB 4.15Å; Y291-I295 HydrophobicContact CE2-CG1 3.63Å; Y291-I295 HydrophobicContact CE2-CG2 4.31Å; Y291-I295 HydrophobicContact CG-CG1 4.31Å; Y291-I295 VanDerWaalsContact O-CB 3.27Å; Y291-I295 WeakPolarHBondContact O-CB 3.36Å; Y291-I295 WeakPolarHBondContact O-CG1 3.43Å; Y291-I295 PolarHBondContact O-N 3.39Å; Y291-H296 AromaticContact CE1-CD2 3.79Å; Y291-Y360 HydrophobicContact CE1-CE1 4.19Å; Y291-Y363 WeakPolarHBondContact CB-O 3.16Å; Y291-Y363 HydrophobicContact CD2-CD1 4.22Å; Y291-Y363 HydrophobicContact CD2-CE1 4.24Å; Y291-Y363 HydrophobicContact CD2-CG 4.38Å; Y291-Y363 WeakPolarHBondContact CD2-O 3.02Å; Y291-Y363 AromaticContact CE2-CD1 3.94Å; Y291-Y363 HydrophobicContact CE2-CD1 3.94Å; Y291-Y363 AromaticContact CE2-CE1 3.65Å; Y291-Y363 HydrophobicContact CE2-CE1 3.65Å; Y291-Y363 AromaticContact CE2-CZ 4Å
292	Q	94.6	Very high	93.9	Very high	10 Å²	10	52.9 Å²	52.9	5%	0.047	28%	0.279	C	S	.	.	I	π-helix	trans	-59.3	-47.1	175.1	-65.6	-46.9	-55.8	0	0	111.7	Y288 K289 H296 K297 D298 P303 Y360	Y288-Q292 HydrophobicContact CD1-CG 4.32Å; Y288-Q292 HydrophobicContact CD2-CG 4.24Å; Y288-Q292 HydrophobicContact CE1-CG 3.83Å; Y288-Q292 HydrophobicContact CE2-CG 3.74Å; Y288-Q292 WeakPolarHBondContact O-CG 3.21Å; Y288-Q292 PolarHBondContact O-N 3.27Å; K289-Q292 PolarHBondContact O-N 3.09Å; Q292-H296 CarbonylContact O-C 3.52Å; Q292-H296 WeakPolarHBondContact O-CA 3.41Å; Q292-H296 WeakPolarHBondContact O-CB 3.18Å; Q292-H296 PolarHBondContact O-N 2.72Å; Q292-H296 PolarHBondContact OE1-CD2 2.99Å; Q292-H296 VanDerWaalsContact OE1-CD2 3.28Å; Q292-K297 PolarHBondContact O-N 2.83Å; Q292-D298 HydrophobicContact CB-CB 4.14Å; Q292-D298 PolarHBondContact O-N 3.46Å; Q292-P303 HydrophobicContact CB-CB 3.85Å; Q292-P303 HydrophobicContact CB-CG 4.32Å; Q292-P303 HydrophobicContact CG-CB 3.9Å; Q292-Y360 PolarHBondContact NE2-OH 2.95Å
293	M	94.6	Very high	93.5	Very high	67 Å²	67	47.8 Å²	47.8	33%	0.33	25%	0.252	S	S	.	.	I	π-helix	trans	-65.1	-44.5	-179.5	-67.4	168.7	55.9	0	0	112.1	K289 Y291 K297 P300 P303	K289-M293 HydrophobicContact CG-SD 3.9Å; K289-M293 WeakPolarHBondContact O-CG 3.47Å; K289-M293 PolarHBondContact O-N 2.59Å; K289-M293 VanDerWaalsContact O-N 3.1Å; Y291-M293 PolarHBondContact O-N 3Å; M293-K297 WeakPolarHBondContact O-CA 3.41Å; M293-P300 HydrophobicContact CE-CB 4.15Å; M293-P300 HydrophobicContact CE-CG 4.04Å; M293-P300 HydrophobicContact SD-CB 4.32Å; M293-P303 HydrophobicContact CG-CG 4.29Å
294	A	93.6	Very high	93.4	Very high	34 Å²	34	47.8 Å²	47.8	28%	0.281	25%	0.249	S	C	.	.	I	π-helix	trans	-77	-40	-175.9	0	0	0	0	0	113.6	L290 Y291 K297 P365	L290-A294 WeakPolarHBondContact O-CB 3.4Å; L290-A294 PolarHBondContact O-N 3.04Å; Y291-A294 PolarHBondContact O-N 3.18Å; A294-K297 WeakPolarHBondContact O-CE 3.43Å; A294-K297 PolarHBondContact O-NZ 3.28Å; A294-P365 HydrophobicContact CB-CB 3.87Å; A294-P365 HydrophobicContact CB-CG 3.41Å; A294-P365 VanDerWaalsContact CB-CG 3.41Å
295	I	88.6	Confident	93.3	Very high	20 Å²	20	51.4 Å²	51.4	10%	0.103	27%	0.266	C	S	.	.	I	π-helix	trans	-96.3	-57.9	-172.4	-55.5	-51.1	0	0	0	110.9	P116 D118 Y291 K297	P116-I295 HydrophobicContact CB-CD1 3.86Å; P116-I295 HydrophobicContact CB-CG1 4.47Å; P116-I295 HydrophobicContact CB-CG2 3.79Å; P116-I295 HydrophobicContact CG-CD1 4.13Å; P116-I295 HydrophobicContact CG-CG2 3.98Å; D118-I295 WeakPolarHBondContact OD1-CG2 3.37Å; Y291-I295 HydrophobicContact CD2-CB 4.34Å; Y291-I295 HydrophobicContact CD2-CG1 3.61Å; Y291-I295 HydrophobicContact CE2-CB 4.15Å; Y291-I295 HydrophobicContact CE2-CG1 3.63Å; Y291-I295 HydrophobicContact CE2-CG2 4.31Å; Y291-I295 HydrophobicContact CG-CG1 4.31Å; Y291-I295 VanDerWaalsContact O-CB 3.27Å; Y291-I295 WeakPolarHBondContact O-CB 3.36Å; Y291-I295 WeakPolarHBondContact O-CG1 3.43Å; Y291-I295 PolarHBondContact O-N 3.39Å; I295-K297 VanDerWaalsContact C-N 3.29Å; I295-K297 PolarHBondContact O-N 3.34Å
296	H	85.9	Confident	93.1	Very high	37 Å²	37	54.1 Å²	54.1	17%	0.171	29%	0.289	C	S	.	.	I	π-helix	trans	-78	-11.7	-177.4	-67.2	-82.1	0	0	0	114	D118 S119 Y291 Q292 D298	D118-H296 WeakPolarHBondContact CA-NE2 3.31Å; S119-H296 VanDerWaalsContact CA-NE2 3.3Å; S119-H296 WeakPolarHBondContact CA-NE2 3.41Å; S119-H296 PolarHBondContact N-NE2 2.94Å; S119-H296 PolarHBondContact O-NE2 2.73Å; S119-H296 PolarHBondContact OG-NE2 3.44Å; S119-H296 VanDerWaalsContact OG-NE2 3.14Å; Y291-H296 AromaticContact CE1-CD2 3.79Å; Q292-H296 CarbonylContact O-C 3.52Å; Q292-H296 WeakPolarHBondContact O-CA 3.41Å; Q292-H296 WeakPolarHBondContact O-CB 3.18Å; Q292-H296 PolarHBondContact O-N 2.72Å; Q292-H296 PolarHBondContact OE1-CD2 2.99Å; Q292-H296 VanDerWaalsContact OE1-CD2 3.28Å; H296-D298 PolarHBondContact O-N 2.67Å
297	K	90.9	Very high	92.9	Very high	161 Å²	161	50.6 Å²	50.6	70%	0.7	27%	0.273	S	S	*	.			trans	63.4	28.8	-177	-48.4	-54.4	-176.3	-173.8	0	113.4	Q292 M293 A294 I295	Q292-K297 PolarHBondContact O-N 2.83Å; M293-K297 WeakPolarHBondContact O-CA 3.41Å; A294-K297 WeakPolarHBondContact O-CE 3.43Å; A294-K297 PolarHBondContact O-NZ 3.28Å; I295-K297 VanDerWaalsContact C-N 3.29Å; I295-K297 PolarHBondContact O-N 3.34Å
298	D	89.2	Confident	92.8	Very high	15 Å²	15	50.2 Å²	50.2	8%	0.08	27%	0.271	C	S	.	.			trans	-66.8	138.7	174.7	-82.7	4.4	0	0	0	110.9	Q292 H296 K302	Q292-D298 HydrophobicContact CB-CB 4.14Å; Q292-D298 PolarHBondContact O-N 3.46Å; H296-D298 PolarHBondContact O-N 2.67Å; D298-K302 HydrophobicContact CB-CB 4.39Å; D298-K302 HydrophobicContact CB-CD 4.07Å; D298-K302 HydrophobicContact CB-CG 4.43Å; D298-K302 VanDerWaalsContact CG-CD 3.42Å; D298-K302 VanDerWaalsContact CG-CE 3.47Å; D298-K302 VanDerWaalsContact CG-NZ 3.28Å; D298-K302 WeakPolarHBondContact OD1-CE 3.23Å; D298-K302 IonicContact OD1-NZ 3.57Å; D298-K302 PolarHBondContact OD1-NZ 3.14Å; D298-K302 VanDerWaalsContact OD2-CD 3.28Å; D298-K302 WeakPolarHBondContact OD2-CD 3.44Å; D298-K302 WeakPolarHBondContact OD2-CE 3.48Å; D298-K302 IonicContact OD2-NZ 3.42Å; D298-K302 PolarHBondContact OD2-NZ 2.95Å
299	P	91.4	Very high	92.7	Very high	64 Å²	64	54.8 Å²	54.8	42%	0.416	29%	0.288	S	S	.	.			trans	-69	156.3	175.7	32.8	-37.2	0	0	0	110.5	D301 K302 P303	P299-D301 VanDerWaalsContact CB-OD1 3.29Å; P299-D301 WeakPolarHBondContact CB-OD1 3.39Å; P299-D301 WeakPolarHBondContact CG-OD1 3.32Å; P299-D301 PolarHBondContact O-N 2.65Å; P299-K302 HydrophobicContact CG-CB 3.92Å; P299-K302 PolarHBondContact O-N 2.74Å; P299-K302 VanDerWaalsContact O-N 3.09Å; P299-P303 WeakPolarHBondContact O-CD 3.44Å
300	P	89.8	Confident	92.6	Very high	79 Å²	79	57.4 Å²	57.4	51%	0.513	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.8	-166.1	-23	33.8	0	0	0	116.4	K289 M293	K289-P300 WeakPolarHBondContact CE-O 3.28Å; K289-P300 PolarHBondContact NZ-O 3.13Å; M293-P300 HydrophobicContact CE-CB 4.15Å; M293-P300 HydrophobicContact CE-CG 4.04Å; M293-P300 HydrophobicContact SD-CB 4.32Å
301	D	89.4	Confident	92.4	Very high	129 Å²	129	55.4 Å²	55.4	69%	0.69	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-29.8	178.7	62.2	-50.8	0	0	0	113.3	P299	P299-D301 VanDerWaalsContact CB-OD1 3.29Å; P299-D301 WeakPolarHBondContact CB-OD1 3.39Å; P299-D301 WeakPolarHBondContact CG-OD1 3.32Å; P299-D301 PolarHBondContact O-N 2.65Å
302	K	88.9	Confident	92.4	Very high	74 Å²	74	55.6 Å²	55.6	32%	0.322	29%	0.286	S	S	.	.	S	Bend	trans	-60.8	-54.2	179.2	179.7	173.6	168.1	-160.5	0	113.3	E122 D298 P299 S304 Q307	E122-K302 IonicContact OE1-NZ 3.44Å; E122-K302 PolarHBondContact OE1-NZ 2.93Å; D298-K302 HydrophobicContact CB-CB 4.39Å; D298-K302 HydrophobicContact CB-CD 4.07Å; D298-K302 HydrophobicContact CB-CG 4.43Å; D298-K302 VanDerWaalsContact CG-CD 3.42Å; D298-K302 VanDerWaalsContact CG-CE 3.47Å; D298-K302 VanDerWaalsContact CG-NZ 3.28Å; D298-K302 WeakPolarHBondContact OD1-CE 3.23Å; D298-K302 IonicContact OD1-NZ 3.57Å; D298-K302 PolarHBondContact OD1-NZ 3.14Å; D298-K302 VanDerWaalsContact OD2-CD 3.28Å; D298-K302 WeakPolarHBondContact OD2-CD 3.44Å; D298-K302 WeakPolarHBondContact OD2-CE 3.48Å; D298-K302 IonicContact OD2-NZ 3.42Å; D298-K302 PolarHBondContact OD2-NZ 2.95Å; P299-K302 HydrophobicContact CG-CB 3.92Å; P299-K302 PolarHBondContact O-N 2.74Å; P299-K302 VanDerWaalsContact O-N 3.09Å; K302-S304 PolarHBondContact O-N 2.94Å; K302-Q307 PolarHBondContact O-OE1 3.5Å
303	P	90.6	Very high	92.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	-74.8	73.8	-175.5	33.4	-36.9	0	0	0	111.6	Y285 Y288 K289 Q292 M293 P299	Y285-P303 PolarHBondContact OH-O 3.48Å; Y288-P303 HydrophobicContact CE1-CB 4.18Å; K289-P303 HydrophobicContact CD-CG 4.44Å; K289-P303 HydrophobicContact CG-CB 4.42Å; K289-P303 HydrophobicContact CG-CG 3.95Å; Q292-P303 HydrophobicContact CB-CB 3.85Å; Q292-P303 HydrophobicContact CB-CG 4.32Å; Q292-P303 HydrophobicContact CG-CB 3.9Å; M293-P303 HydrophobicContact CG-CG 4.29Å; P299-P303 WeakPolarHBondContact O-CD 3.44Å
304	S	94.9	Very high	92.5	Very high	47 Å²	47	55.6 Å²	55.6	33%	0.329	29%	0.288	S	S	.	.			trans	-80.8	160.5	-179.9	66.8	0	0	0	0	112.6	K302 S306 Q307 F308	K302-S304 PolarHBondContact O-N 2.94Å; S304-S306 VanDerWaalsContact C-N 3.28Å; S304-S306 PolarHBondContact O-N 3.33Å; S304-Q307 WeakPolarHBondContact O-CB 3.33Å; S304-Q307 PolarHBondContact O-N 2.77Å; S304-Q307 WeakPolarHBondContact OG-CB 3.39Å; S304-Q307 PolarHBondContact OG-N 3.08Å; S304-F308 PolarHBondContact O-N 3.4Å
305	E	96.1	Very high	92.6	Very high	76 Å²	76	54 Å²	54	36%	0.355	28%	0.275	S	S	.	.	H	α-helix	trans	-62.3	-38	175.7	-167.3	-161.6	137.6	0	0	111.6	F281 Y285 Q307 F308 R309	F281-E305 HydrophobicContact CE1-CG 3.64Å; F281-E305 WeakPolarHBondContact CE1-OE1 3.4Å; F281-E305 HydrophobicContact CZ-CG 3.71Å; Y285-E305 HydrophobicContact CD1-CG 4.45Å; Y285-E305 HydrophobicContact CE1-CB 4.09Å; Y285-E305 HydrophobicContact CE1-CG 4.49Å; Y285-E305 HydrophobicContact CE2-CB 4.33Å; Y285-E305 PolarHBondContact OH-N 3.12Å; E305-Q307 VanDerWaalsContact C-N 3.35Å; E305-Q307 PolarHBondContact O-N 3.29Å; E305-F308 PolarHBondContact O-N 3.24Å; E305-R309 WeakPolarHBondContact O-CG 3.37Å; E305-R309 PolarHBondContact O-N 3.14Å; E305-R309 IonicContact OE1-CZ 3.22Å; E305-R309 IonicContact OE1-NE 2.82Å; E305-R309 PolarHBondContact OE1-NE 3.13Å; E305-R309 IonicContact OE1-NH2 3.29Å; E305-R309 PolarHBondContact OE1-NH2 3.05Å
306	S	95	Very high	93	Very high	86 Å²	86	53.1 Å²	53.1	60%	0.601	27%	0.27	S	S	*	.	H	α-helix	trans	-60.2	-44.2	174.2	179	0	0	0	0	111.5	S304 R309 R310	S304-S306 VanDerWaalsContact C-N 3.28Å; S304-S306 PolarHBondContact O-N 3.33Å; S306-R309 PolarHBondContact O-N 3.14Å; S306-R310 VanDerWaalsContact O-CB 3.25Å; S306-R310 WeakPolarHBondContact O-CB 3.33Å; S306-R310 PolarHBondContact O-N 2.9Å
307	Q	92.8	Very high	93.6	Very high	29 Å²	29	51.3 Å²	51.3	14%	0.136	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-47	175.2	-175.7	179.6	18.3	0	0	111.4	K302 S304 E305 R310 F311	K302-Q307 PolarHBondContact O-OE1 3.5Å; S304-Q307 WeakPolarHBondContact O-CB 3.33Å; S304-Q307 PolarHBondContact O-N 2.77Å; S304-Q307 WeakPolarHBondContact OG-CB 3.39Å; S304-Q307 PolarHBondContact OG-N 3.08Å; E305-Q307 VanDerWaalsContact C-N 3.35Å; E305-Q307 PolarHBondContact O-N 3.29Å; Q307-R310 PolarHBondContact O-N 3.48Å; Q307-F311 HydrophobicContact CG-CD2 3.45Å; Q307-F311 VanDerWaalsContact CG-CD2 3.45Å; Q307-F311 HydrophobicContact CG-CE2 3.56Å; Q307-F311 WeakPolarHBondContact O-CB 3.23Å; Q307-F311 WeakPolarHBondContact O-CD2 3.45Å; Q307-F311 PolarHBondContact O-N 3.47Å
308	F	95.8	Very high	93.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.5	-48.1	177.3	176.1	-119.1	0	0	0	112	F281 Y285 Y288 S304 E305 L312 C313 Y362	F281-F308 HydrophobicContact CD2-CE1 4.16Å; F281-F308 AromaticContact CE2-CD1 3.84Å; F281-F308 HydrophobicContact CE2-CD1 3.84Å; F281-F308 AromaticContact CE2-CE1 3.67Å; F281-F308 HydrophobicContact CE2-CE1 3.67Å; F281-F308 AromaticContact CZ-CD1 3.79Å; F281-F308 HydrophobicContact CZ-CD1 3.79Å; F281-F308 AromaticContact CZ-CE1 4Å; F281-F308 HydrophobicContact CZ-CE1 4Å; Y285-F308 HydrophobicContact CD2-CB 3.71Å; Y285-F308 AromaticContact CD2-CD1 3.81Å; Y285-F308 HydrophobicContact CD2-CD1 3.81Å; Y285-F308 AromaticContact CD2-CG 3.8Å; Y285-F308 HydrophobicContact CD2-CG 3.8Å; Y285-F308 HydrophobicContact CE2-CB 4.13Å; Y285-F308 HydrophobicContact CG-CD1 4.1Å; Y288-F308 HydrophobicContact CD1-CB 3.85Å; Y288-F308 AromaticContact CD1-CD2 3.55Å; Y288-F308 HydrophobicContact CD1-CD2 3.55Å; Y288-F308 HydrophobicContact CD1-CE2 4.42Å; Y288-F308 AromaticContact CD1-CG 3.97Å; Y288-F308 HydrophobicContact CD1-CG 3.97Å; Y288-F308 AromaticContact CD2-CD2 3.85Å; Y288-F308 HydrophobicContact CD2-CD2 3.85Å; Y288-F308 HydrophobicContact CD2-CE2 4.28Å; Y288-F308 HydrophobicContact CE1-CB 3.83Å; Y288-F308 HydrophobicContact CE1-CD2 4.08Å; Y288-F308 HydrophobicContact CE1-CG 4.38Å; Y288-F308 HydrophobicContact CE2-CD2 4.34Å; Y288-F308 AromaticContact CG-CD2 3.42Å; Y288-F308 HydrophobicContact CG-CD2 3.42Å; Y288-F308 VanDerWaalsContact CG-CD2 3.42Å; Y288-F308 AromaticContact CG-CE2 3.9Å; Y288-F308 HydrophobicContact CG-CE2 3.9Å; Y288-F308 HydrophobicContact CG-CG 4.28Å; S304-F308 PolarHBondContact O-N 3.4Å; E305-F308 PolarHBondContact O-N 3.24Å; F308-L312 HydrophobicContact CD2-CB 4.2Å; F308-L312 HydrophobicContact CD2-CD1 4.02Å; F308-L312 HydrophobicContact CE2-CB 4.15Å; F308-L312 HydrophobicContact CE2-CD1 4.04Å; F308-L312 PolarHBondContact O-N 3.46Å; F308-C313 VanDerWaalsContact CE1-SG 3.57Å; F308-C313 PolarHBondContact O-N 3.28Å; F308-Y362 AromaticContact CE2-CE1 3.99Å; F308-Y362 HydrophobicContact CE2-CE1 3.99Å; F308-Y362 HydrophobicContact CE2-CE2 4.44Å; F308-Y362 AromaticContact CE2-CZ 3.7Å; F308-Y362 WeakPolarHBondContact CE2-OH 3.33Å; F308-Y362 WeakPolarHBondContact CZ-OH 3.26Å
309	R	96.1	Very high	94	Very high	100 Å²	100	48.7 Å²	48.7	38%	0.377	26%	0.258	S	S	.	.	I	π-helix	trans	-57.3	-57.4	175.6	-73.3	178.4	-176.7	-81.4	-2.7	111.3	F281 E305 S306 F311 C313 D314	F281-R309 VanDerWaalsContact CE1-NH2 3.31Å; F281-R309 HydrophobicContact CE2-CG 3.91Å; F281-R309 HydrophobicContact CZ-CG 3.69Å; E305-R309 WeakPolarHBondContact O-CG 3.37Å; E305-R309 PolarHBondContact O-N 3.14Å; E305-R309 IonicContact OE1-CZ 3.22Å; E305-R309 IonicContact OE1-NE 2.82Å; E305-R309 PolarHBondContact OE1-NE 3.13Å; E305-R309 IonicContact OE1-NH2 3.29Å; E305-R309 PolarHBondContact OE1-NH2 3.05Å; S306-R309 PolarHBondContact O-N 3.14Å; R309-F311 VanDerWaalsContact C-N 3.28Å; R309-F311 PolarHBondContact O-N 3.18Å; R309-C313 WeakPolarHBondContact O-CB 3.45Å; R309-C313 PolarHBondContact O-N 2.62Å; R309-D314 WeakPolarHBondContact O-CB 3.23Å; R309-D314 PolarHBondContact O-N 3.16Å
310	R	94.1	Very high	94.2	Very high	108 Å²	108	48.7 Å²	48.7	41%	0.408	25%	0.252	S	S	.	.	I	π-helix	trans	-57	-38.6	-174.8	-172.7	-179.2	72.6	161.2	6.2	112.5	G60 D123 S306 Q307	G60-R310 WeakPolarHBondContact CA-O 3.48Å; D123-R310 IonicContact OD1-CZ 3.91Å; D123-R310 IonicContact OD1-NH2 2.83Å; D123-R310 PolarHBondContact OD1-NH2 3.28Å; S306-R310 VanDerWaalsContact O-CB 3.25Å; S306-R310 WeakPolarHBondContact O-CB 3.33Å; S306-R310 PolarHBondContact O-N 2.9Å; Q307-R310 PolarHBondContact O-N 3.48Å
311	F	91.8	Very high	94.3	Very high	26 Å²	26	51 Å²	51	11%	0.114	26%	0.256	C	S	.	.	I	π-helix	trans	-92.6	-38.6	-175.5	-73.4	-53.4	0	0	0	114.8	S59 G60 D123 Q307 R309	S59-F311 VanDerWaalsContact OG-CD1 3.28Å; S59-F311 WeakPolarHBondContact OG-CD1 3.44Å; G60-F311 PolarHBondContact N-O 3.09Å; G60-F311 VanDerWaalsContact N-O 3.07Å; D123-F311 WeakPolarHBondContact OD1-CZ 3.26Å; Q307-F311 HydrophobicContact CG-CD2 3.45Å; Q307-F311 VanDerWaalsContact CG-CD2 3.45Å; Q307-F311 HydrophobicContact CG-CE2 3.56Å; Q307-F311 WeakPolarHBondContact O-CB 3.23Å; Q307-F311 WeakPolarHBondContact O-CD2 3.45Å; Q307-F311 PolarHBondContact O-N 3.47Å; R309-F311 VanDerWaalsContact C-N 3.28Å; R309-F311 PolarHBondContact O-N 3.18Å
312	L	95.8	Very high	94.4	Very high	6 Å²	6	47 Å²	47	3%	0.031	24%	0.238	C	C	.	.	I	π-helix	trans	-119	-20.3	-166.1	-60.5	-172.1	0	0	0	114.6	Y288 F308 H334 V348 Y360 Y362	Y288-L312 HydrophobicContact CD2-CD1 3.51Å; Y288-L312 HydrophobicContact CE2-CD1 3.56Å; Y288-L312 HydrophobicContact CG-CD1 4.49Å; F308-L312 HydrophobicContact CD2-CB 4.2Å; F308-L312 HydrophobicContact CD2-CD1 4.02Å; F308-L312 HydrophobicContact CE2-CB 4.15Å; F308-L312 HydrophobicContact CE2-CD1 4.04Å; F308-L312 PolarHBondContact O-N 3.46Å; L312-H334 PolarHBondContact O-NE2 3.02Å; L312-V348 HydrophobicContact CB-CG2 4.22Å; L312-V348 HydrophobicContact CD2-CG2 4.31Å; L312-Y360 HydrophobicContact CD1-CD1 3.79Å; L312-Y360 HydrophobicContact CD1-CE1 3.84Å; L312-Y360 HydrophobicContact CD1-CG 4.31Å; L312-Y360 HydrophobicContact CD2-CD1 3.85Å; L312-Y360 HydrophobicContact CD2-CD2 3.77Å; L312-Y360 HydrophobicContact CD2-CE1 4.39Å; L312-Y360 HydrophobicContact CD2-CE2 4.3Å; L312-Y360 HydrophobicContact CD2-CG 3.5Å; L312-Y360 VanDerWaalsContact CD2-CG 3.5Å; L312-Y362 HydrophobicContact CD1-CD1 3.78Å; L312-Y362 HydrophobicContact CD1-CE1 3.72Å
313	C	96	Very high	94.4	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.041	26%	0.264	C	S	.	.	I	π-helix	trans	-99.1	-49.9	179.8	-52.5	0	0	0	0	111.4	S270 F277 F308 R309	S270-C313 PolarHBondContact OG-O 3.15Å; F277-C313 HydrophobicContact CZ-CB 3.78Å; F308-C313 VanDerWaalsContact CE1-SG 3.57Å; F308-C313 PolarHBondContact O-N 3.28Å; R309-C313 WeakPolarHBondContact O-CB 3.45Å; R309-C313 PolarHBondContact O-N 2.62Å
314	D	95.3	Very high	94.4	Very high	70 Å²	70	54.9 Å²	54.9	37%	0.374	29%	0.291	S	S	.	.			trans	-65.7	142.5	-178.8	-65.7	-15.1	0	0	0	110.6	R58 G60 R309	R58-D314 PolarHBondContact NH1-O 2.9Å; G60-D314 WeakPolarHBondContact CA-O 3.29Å; R309-D314 WeakPolarHBondContact O-CB 3.23Å; R309-D314 PolarHBondContact O-N 3.16Å
315	S	96.7	Very high	94.3	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.007	28%	0.282	C	S	.	.			trans	-146.3	147.8	178.8	-173.3	0	0	0	0	109.7	K61 N271 L317 S332	K61-S315 WeakPolarHBondContact CE-O 3.06Å; N271-S315 PolarHBondContact ND2-O 3.36Å; S315-L317 VanDerWaalsContact C-N 3.27Å; S315-L317 WeakPolarHBondContact OG-CB 3.15Å; S315-L317 WeakPolarHBondContact OG-CG 3.18Å; S315-L317 PolarHBondContact OG-N 3.21Å; S315-L317 VanDerWaalsContact OG-N 3.13Å; S315-S332 VanDerWaalsContact CB-OG 3.26Å; S315-S332 WeakPolarHBondContact CB-OG 3.33Å; S315-S332 PolarHBondContact OG-OG 3.11Å
316	P	96.7	Very high	94.3	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	27%	0.266	C	S	.	.	S	Bend	trans	-79.5	-16.3	167.4	34.4	-32.6	0	0	0	111.2	S40 S42 M43 G60 K61 E318	S40-P316 VanDerWaalsContact OG-CB 3.23Å; S40-P316 WeakPolarHBondContact OG-CB 3.33Å; S42-P316 CarbonylContact C-O 3.51Å; M43-P316 HydrophobicContact CB-CB 3.88Å; M43-P316 HydrophobicContact CB-CG 4.24Å; M43-P316 PolarHBondContact N-O 3.35Å; M43-P316 HydrophobicContact SD-CG 4.48Å; G60-P316 WeakPolarHBondContact O-CD 3.22Å; K61-P316 HydrophobicContact CG-CB 4.45Å; P316-E318 PolarHBondContact O-N 2.75Å
317	L	97.7	Very high	94.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-68	115.3	-173.5	-57.2	-172.3	0	0	0	111.1	M43 V45 Y48 N271 S315 D350 L352	M43-L317 HydrophobicContact CB-CD2 4.2Å; M43-L317 HydrophobicContact CG-CD2 4.03Å; M43-L317 WeakPolarHBondContact O-CA 3.49Å; M43-L317 HydrophobicContact SD-CD2 4.24Å; V45-L317 HydrophobicContact CG1-CB 4.49Å; Y48-L317 VanDerWaalsContact CB-CD2 3.49Å; Y48-L317 HydrophobicContact CD1-CD1 3.89Å; Y48-L317 HydrophobicContact CD1-CD2 3.8Å; Y48-L317 HydrophobicContact CD1-CG 4.4Å; Y48-L317 HydrophobicContact CE1-CD1 4.37Å; Y48-L317 HydrophobicContact CG-CD2 3.72Å; N271-L317 PolarHBondContact ND2-O 2.72Å; S315-L317 VanDerWaalsContact C-N 3.27Å; S315-L317 WeakPolarHBondContact OG-CB 3.15Å; S315-L317 WeakPolarHBondContact OG-CG 3.18Å; S315-L317 PolarHBondContact OG-N 3.21Å; S315-L317 VanDerWaalsContact OG-N 3.13Å; L317-D350 HydrophobicContact CD1-CB 3.93Å; L317-D350 WeakPolarHBondContact CD1-OD1 3.41Å; L317-L352 HydrophobicContact CD1-CD2 3.91Å
318	E	95.5	Very high	94.4	Very high	83 Å²	83	54.2 Å²	54.2	39%	0.388	28%	0.278	S	S	.	.			trans	-66.2	143.1	169.1	-65.5	-62.2	159.7	0	0	110.1	S42 M43 P316 E320	S42-E318 WeakPolarHBondContact CB-OE1 3.09Å; M43-E318 PolarHBondContact O-N 2.82Å; P316-E318 PolarHBondContact O-N 2.75Å; E318-E320 PolarHBondContact O-N 3.24Å
319	A	94.8	Very high	94.4	Very high	37 Å²	37	54.2 Å²	54.2	31%	0.306	28%	0.278	S	S	.	.			trans	-78	115.2	177.4	0	0	0	0	0	110.5	R269	R269-A319 VanDerWaalsContact NH1-CB 3.28Å
320	E	94.3	Very high	94.5	Very high	64 Å²	64	49.9 Å²	49.9	30%	0.299	26%	0.262	S	S	.	.			trans	-116.6	139.6	-176.5	-166.4	-179.1	127.3	0	0	110.7	V45 E318 G329 Y330	V45-E320 HydrophobicContact CG2-CB 4.12Å; V45-E320 WeakPolarHBondContact CG2-OE2 3.49Å; E318-E320 PolarHBondContact O-N 3.24Å; E320-G329 CarbonylContact O-C 3.56Å; E320-G329 WeakPolarHBondContact O-CA 3.08Å; E320-Y330 HydrophobicContact CB-CD2 4.48Å; E320-Y330 PolarHBondContact O-N 3.28Å
321	H	93.3	Very high	94.7	Very high	127 Å²	127	44.8 Å²	44.8	59%	0.588	24%	0.242	S	C	*	.			trans	-121.3	133.7	169.5	-61.9	78.5	0	0	0	107.9
322	S	89.8	Confident	95	Very high	45 Å²	45	43.5 Å²	43.5	32%	0.315	24%	0.237	S	C	.	.			trans	-124.2	144.8	179.3	-178.4	0	0	0	0	108.5	D324 G325	S322-D324 PolarHBondContact O-N 2.97Å; S322-G325 WeakPolarHBondContact O-CA 3.41Å; S322-G325 PolarHBondContact O-N 2.96Å
323	P	89.4	Confident	95.1	Very high	135 Å²	135	43.4 Å²	43.4	88%	0.877	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.9	175	-25.9	35.6	0	0	0	113.4	G325	P323-G325 VanDerWaalsContact C-N 3.29Å
324	D	90.8	Very high	95.3	Very high	106 Å²	106	43.1 Å²	43.1	57%	0.567	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	14.2	176.5	-53	-28.5	0	0	0	112.3	S322 S391	S322-D324 PolarHBondContact O-N 2.97Å; D324-S391 WeakPolarHBondContact O-CA 3.22Å; D324-S391 WeakPolarHBondContact O-CB 3.29Å; D324-S391 PolarHBondContact O-OG 3.13Å
325	G	92.7	Very high	95.4	Very high	12 Å²	12	40.1 Å²	40.1	12%	0.124	22%	0.218	C	C	.	.	S	Bend	trans	-98.5	169.7	-175.7	0	0	0	0	0	113.6	S322 P323 Y330	S322-G325 WeakPolarHBondContact O-CA 3.41Å; S322-G325 PolarHBondContact O-N 2.96Å; P323-G325 VanDerWaalsContact C-N 3.29Å; G325-Y330 WeakPolarHBondContact CA-OH 3.5Å
326	P	95.5	Very high	95.5	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.032	22%	0.218	C	C	.	.			trans	-71.2	150.7	173.4	33.3	-35.4	0	0	0	110.9	M328 G329 Y330 I351 L387 L394	P326-M328 VanDerWaalsContact C-N 3.31Å; P326-M328 HydrophobicContact CB-SD 3.75Å; P326-M328 HydrophobicContact CG-SD 4.4Å; P326-M328 PolarHBondContact O-N 2.88Å; P326-G329 WeakPolarHBondContact O-CA 3.42Å; P326-G329 PolarHBondContact O-N 3.05Å; P326-Y330 VanDerWaalsContact CD-CE1 3.42Å; P326-Y330 VanDerWaalsContact CD-CZ 3.48Å; P326-Y330 HydrophobicContact CG-CD1 4.21Å; P326-Y330 HydrophobicContact CG-CE1 3.95Å; P326-I351 HydrophobicContact CG-CG2 4.1Å; P326-L387 HydrophobicContact CB-CB 4.42Å; P326-L387 HydrophobicContact CB-CD1 4.47Å; P326-L387 HydrophobicContact CB-CD2 4.01Å; P326-L394 HydrophobicContact CG-CD1 4.39Å
327	E	94.9	Very high	95.5	Very high	155 Å²	155	40.2 Å²	40.2	72%	0.724	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-38.1	-171.1	-178.1	-173	169	0	0	113.9	G329 Q390	E327-G329 PolarHBondContact O-N 3.24Å; E327-Q390 PolarHBondContact OE2-NE2 3.48Å
328	M	94.8	Very high	95.4	Very high	52 Å²	52	41.9 Å²	41.9	26%	0.256	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-2	177.7	63	-72.4	-48.9	0	0	114.2	L267 R269 P326 F333 I351 L387	L267-M328 HydrophobicContact CD2-CB 4.38Å; L267-M328 HydrophobicContact CD2-CG 3.76Å; R269-M328 PolarHBondContact NH2-O 3.06Å; P326-M328 VanDerWaalsContact C-N 3.31Å; P326-M328 HydrophobicContact CB-SD 3.75Å; P326-M328 HydrophobicContact CG-SD 4.4Å; P326-M328 PolarHBondContact O-N 2.88Å; M328-F333 HydrophobicContact CB-CE1 4.3Å; M328-F333 HydrophobicContact CB-CZ 4.43Å; M328-F333 HydrophobicContact CG-CE1 4.23Å; M328-F333 HydrophobicContact CG-CZ 4.11Å; M328-I351 HydrophobicContact CG-CD1 4.06Å; M328-L387 HydrophobicContact CE-CD2 3.93Å; M328-L387 HydrophobicContact SD-CD2 3.46Å; M328-L387 WeakPolarHBondContact SD-CD2 3.34Å
329	G	96.8	Very high	95.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.208	C	C	.	.			trans	71.2	178.2	-173.8	0	0	0	0	0	113.9	E320 P326 E327 F333	E320-G329 CarbonylContact O-C 3.56Å; E320-G329 WeakPolarHBondContact O-CA 3.08Å; P326-G329 WeakPolarHBondContact O-CA 3.42Å; P326-G329 PolarHBondContact O-N 3.05Å; E327-G329 PolarHBondContact O-N 3.24Å; G329-F333 WeakPolarHBondContact O-CZ 3.19Å
330	Y	97.9	Very high	95	Very high	9 Å²	9	40.8 Å²	40.8	4%	0.035	22%	0.216	C	C	.	.	S	Bend	trans	-89.4	169.8	175.4	-57.9	-67.4	0	0	0	111.8	V45 R269 E320 G325 P326 I351 S391 L394	V45-Y330 HydrophobicContact CG2-CD2 4.09Å; V45-Y330 HydrophobicContact CG2-CG 4.02Å; R269-Y330 PolarHBondContact NH1-O 2.98Å; R269-Y330 PolarHBondContact NH2-O 3.35Å; E320-Y330 HydrophobicContact CB-CD2 4.48Å; E320-Y330 PolarHBondContact O-N 3.28Å; G325-Y330 WeakPolarHBondContact CA-OH 3.5Å; P326-Y330 VanDerWaalsContact CD-CE1 3.42Å; P326-Y330 VanDerWaalsContact CD-CZ 3.48Å; P326-Y330 HydrophobicContact CG-CD1 4.21Å; P326-Y330 HydrophobicContact CG-CE1 3.95Å; Y330-I351 WeakPolarHBondContact CA-O 3.44Å; Y330-I351 WeakPolarHBondContact CB-O 3.41Å; Y330-I351 HydrophobicContact CD1-CG2 4.1Å; Y330-S391 PolarHBondContact OH-OG 3.28Å; Y330-L394 HydrophobicContact CE1-CD1 4.37Å
331	G	97.9	Very high	94.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	117.2	-155.8	178	0	0	0	0	0	112.9	F333 D350 I351	G331-F333 VanDerWaalsContact O-CD2 3.27Å; G331-F333 WeakPolarHBondContact O-CD2 3.42Å; G331-F333 WeakPolarHBondContact O-CE2 3.3Å; G331-D350 WeakPolarHBondContact O-CA 3.35Å; G331-I351 PolarHBondContact N-O 3.15Å; G331-I351 PolarHBondContact O-N 2.91Å
332	S	98.4	Very high	94.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135.7	-172.2	-56.8	0	0	0	0	114.2	R58 S270 N271 S315 D350	R58-S332 PolarHBondContact NH2-OG 3.32Å; R58-S332 VanDerWaalsContact NH2-OG 3.11Å; S270-S332 PolarHBondContact N-O 3.39Å; S270-S332 PolarHBondContact OG-O 3.19Å; N271-S332 PolarHBondContact N-O 3.03Å; S315-S332 VanDerWaalsContact CB-OG 3.26Å; S315-S332 WeakPolarHBondContact CB-OG 3.33Å; S315-S332 PolarHBondContact OG-OG 3.11Å; S332-D350 WeakPolarHBondContact CA-OD1 3.41Å; S332-D350 VanDerWaalsContact CB-OD1 3.3Å; S332-D350 WeakPolarHBondContact CB-OD1 3.41Å; S332-D350 PolarHBondContact OG-OD1 2.88Å
333	F	98.7	Very high	95.2	Very high	4 Å²	4	42 Å²	42	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	155.2	-175	-58.5	-100.3	0	0	0	111.8	L267 V268 R269 M328 G329 G331 I349 I351	L267-F333 HydrophobicContact CD1-CB 3.67Å; L267-F333 HydrophobicContact CD1-CD1 4.2Å; L267-F333 HydrophobicContact CD1-CG 4.09Å; L267-F333 HydrophobicContact CD2-CD1 3.96Å; L267-F333 HydrophobicContact CD2-CE1 4.21Å; L267-F333 HydrophobicContact CD2-CG 4.47Å; L267-F333 HydrophobicContact CG-CB 4.21Å; L267-F333 HydrophobicContact CG-CD1 3.83Å; L267-F333 HydrophobicContact CG-CG 4.24Å; V268-F333 CarbonylContact O-C 3.41Å; V268-F333 VanDerWaalsContact O-CA 3.25Å; V268-F333 WeakPolarHBondContact O-CA 3.41Å; V268-F333 WeakPolarHBondContact O-CB 3.33Å; R269-F333 HydrophobicContact CB-CD1 3.82Å; R269-F333 HydrophobicContact CB-CE1 3.83Å; R269-F333 HydrophobicContact CG-CD1 4.34Å; R269-F333 HydrophobicContact CG-CE1 4.16Å; M328-F333 HydrophobicContact CB-CE1 4.3Å; M328-F333 HydrophobicContact CB-CZ 4.43Å; M328-F333 HydrophobicContact CG-CE1 4.23Å; M328-F333 HydrophobicContact CG-CZ 4.11Å; G329-F333 WeakPolarHBondContact O-CZ 3.19Å; G331-F333 VanDerWaalsContact O-CD2 3.27Å; G331-F333 WeakPolarHBondContact O-CD2 3.42Å; G331-F333 WeakPolarHBondContact O-CE2 3.3Å; F333-I349 HydrophobicContact CB-CG1 4.13Å; F333-I349 PolarHBondContact N-O 2.9Å; F333-I349 PolarHBondContact O-N 3.48Å; F333-I349 VanDerWaalsContact O-O 3.08Å; F333-I351 HydrophobicContact CD2-CB 4.29Å; F333-I351 HydrophobicContact CD2-CD1 3.63Å; F333-I351 HydrophobicContact CD2-CG1 3.7Å; F333-I351 HydrophobicContact CE2-CB 3.98Å; F333-I351 HydrophobicContact CE2-CD1 3.54Å; F333-I351 HydrophobicContact CE2-CG1 3.79Å; F333-I351 HydrophobicContact CG-CD1 4.23Å; F333-I351 HydrophobicContact CZ-CD1 4.04Å
334	H	98.6	Very high	95.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.6	164.2	-76.5	-157.3	0	0	0	108	V268 F277 L312 Q336 V346 G347	V268-H334 HydrophobicContact CG2-CB 3.83Å; V268-H334 WeakPolarHBondContact CG2-O 3.44Å; V268-H334 PolarHBondContact N-O 3.29Å; V268-H334 PolarHBondContact O-N 3.07Å; F277-H334 AromaticContact CE2-CE1 3.78Å; F277-H334 AromaticContact CE2-ND1 3.75Å; L312-H334 PolarHBondContact O-NE2 3.02Å; H334-Q336 HydrophobicContact CB-CG 4.26Å; H334-V346 HydrophobicContact CB-CG1 3.63Å; H334-G347 CarbonylContact C-O 3.56Å; H334-G347 WeakPolarHBondContact CA-O 3.12Å
335	Q	98.4	Very high	95.8	Very high	7 Å²	7	31 Å²	31	3%	0.033	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	98.5	167.9	-174.4	175.8	91.3	0	0	108	V265 R266 L267 Y337 V346 G347 I349	V265-Q335 HydrophobicContact CG1-CG 3.51Å; R266-Q335 CarbonylContact O-C 3.55Å; R266-Q335 WeakPolarHBondContact O-CA 3.36Å; L267-Q335 HydrophobicContact CD1-CB 4.44Å; Q335-Y337 HydrophobicContact CG-CE2 4.07Å; Q335-Y337 WeakPolarHBondContact O-CD2 3.47Å; Q335-Y337 WeakPolarHBondContact O-CE2 3.17Å; Q335-Y337 PolarHBondContact OE1-OH 2.65Å; Q335-V346 WeakPolarHBondContact O-CA 3.02Å; Q335-G347 PolarHBondContact N-O 2.87Å; Q335-G347 PolarHBondContact O-N 2.76Å; Q335-I349 HydrophobicContact CB-CD1 4.17Å
336	Q	98.4	Very high	96.1	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	133.8	-175	-61.9	176.9	-23.2	0	0	110.9	V265 R266 V268 S280 H334 W338 V346	V265-Q336 CarbonylContact C-O 3.49Å; V265-Q336 VanDerWaalsContact CA-O 3.31Å; V265-Q336 WeakPolarHBondContact CA-O 3.43Å; R266-Q336 PolarHBondContact N-O 2.78Å; R266-Q336 PolarHBondContact O-N 3.08Å; V268-Q336 HydrophobicContact CG2-CG 4.16Å; S280-Q336 PolarHBondContact OG-NE2 2.86Å; H334-Q336 HydrophobicContact CB-CG 4.26Å; Q336-W338 VanDerWaalsContact CB-NE1 3.31Å; Q336-V346 HydrophobicContact CG-CG1 4.08Å; Q336-V346 HydrophobicContact CG-CG2 4.12Å
337	Y	97.3	Very high	96.2	Very high	3 Å²	3	30.2 Å²	30.2	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	112.8	177.8	-65	-105	0	0	0	108.1	V265 Q335 I343 V344 A345 Y375 S376 R379	V265-Y337 HydrophobicContact CG1-CE1 4.35Å; V265-Y337 HydrophobicContact CG2-CD1 3.57Å; V265-Y337 HydrophobicContact CG2-CE1 3.78Å; V265-Y337 HydrophobicContact CG2-CG 4.23Å; Q335-Y337 HydrophobicContact CG-CE2 4.07Å; Q335-Y337 WeakPolarHBondContact O-CD2 3.47Å; Q335-Y337 WeakPolarHBondContact O-CE2 3.17Å; Q335-Y337 PolarHBondContact OE1-OH 2.65Å; Y337-I343 WeakPolarHBondContact O-CA 3.41Å; Y337-V344 WeakPolarHBondContact O-CG2 3.43Å; Y337-V344 PolarHBondContact O-N 2.8Å; Y337-A345 WeakPolarHBondContact CB-O 3.27Å; Y337-A345 HydrophobicContact CD2-CB 4.01Å; Y337-A345 HydrophobicContact CG-CB 4.12Å; Y337-A345 PolarHBondContact N-O 2.92Å; Y337-Y375 HydrophobicContact CD1-CE1 4.21Å; Y337-Y375 HydrophobicContact CE1-CD1 4.09Å; Y337-Y375 AromaticContact CE1-CE1 3.82Å; Y337-Y375 HydrophobicContact CE1-CE1 3.82Å; Y337-S376 WeakPolarHBondContact OH-CA 3.49Å; Y337-R379 HydrophobicContact CE1-CB 4.44Å; Y337-R379 HydrophobicContact CE1-CG 4.09Å; Y337-R379 VanDerWaalsContact OH-CB 3.31Å; Y337-R379 WeakPolarHBondContact OH-CB 3.1Å
338	W	95.5	Very high	96.4	Very high	35 Å²	35	22.9 Å²	22.9	13%	0.133	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.7	-176.8	-67.3	75.8	0	0	0	109.3	L263 E264 R266 Q336 G341 R342 I343	L263-W338 CarbonylContact C-O 3.58Å; L263-W338 WeakPolarHBondContact CA-O 3.42Å; E264-W338 HydrophobicContact CB-CB 4.24Å; E264-W338 PolarHBondContact N-O 3.2Å; E264-W338 PolarHBondContact O-N 2.81Å; R266-W338 VanDerWaalsContact NH1-CE2 3.32Å; Q336-W338 VanDerWaalsContact CB-NE1 3.31Å; W338-G341 WeakPolarHBondContact CZ3-O 3.29Å; W338-R342 CarbonylContact C-O 3.54Å; W338-R342 VanDerWaalsContact CA-O 3.26Å; W338-R342 WeakPolarHBondContact CA-O 3.44Å; W338-I343 HydrophobicContact CD2-CG1 3.77Å; W338-I343 HydrophobicContact CE3-CG1 3.99Å; W338-I343 HydrophobicContact CG-CG1 4.45Å; W338-I343 HydrophobicContact CH2-CD1 3.99Å; W338-I343 HydrophobicContact CH2-CG1 3.78Å; W338-I343 HydrophobicContact CZ2-CD1 3.62Å; W338-I343 HydrophobicContact CZ2-CG1 3.53Å; W338-I343 HydrophobicContact CZ3-CG1 4Å
339	L	91.7	Very high	96.6	Very high	8 Å²	8	20.4 Å²	20.4	4%	0.042	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.6	176.3	-165.7	108.4	0	0	0	108.3	Y101 R262 L263 G341 R342 V344 F367	Y101-L339 HydrophobicContact CD1-CD1 4.34Å; Y101-L339 HydrophobicContact CE1-CD1 3.75Å; Y101-L339 HydrophobicContact CE1-CD2 3.76Å; Y101-L339 HydrophobicContact CE1-CG 4.44Å; Y101-L339 WeakPolarHBondContact OH-CD2 3.49Å; R262-L339 WeakPolarHBondContact O-CA 3.37Å; R262-L339 WeakPolarHBondContact O-CD1 3.34Å; R262-L339 WeakPolarHBondContact O-CG 3.39Å; L263-L339 HydrophobicContact CD1-CD1 4.29Å; L339-G341 PolarHBondContact O-N 3.11Å; L339-G341 VanDerWaalsContact O-N 3.12Å; L339-R342 PolarHBondContact N-O 2.78Å; L339-R342 PolarHBondContact O-N 2.78Å; L339-V344 HydrophobicContact CB-CB 4.48Å; L339-V344 HydrophobicContact CB-CG1 3.64Å; L339-V344 HydrophobicContact CB-CG2 3.97Å; L339-V344 HydrophobicContact CD2-CG1 4.49Å; L339-F367 HydrophobicContact CD2-CE1 3.87Å; L339-F367 HydrophobicContact CD2-CZ 4.15Å
340	D	89	Confident	96.7	Very high	88 Å²	88	20.4 Å²	20.4	47%	0.471	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	42.5	179.1	-49.4	-42.5	0	0	0	112.4	R262 R342	R262-D340 IonicContact NE-OD1 3.55Å; D340-R342 PolarHBondContact O-N 2.84Å
341	G	90.9	Very high	96.7	Very high	58 Å²	58	20 Å²	20	60%	0.598	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	4	-178.8	0	0	0	0	0	116.7	W338 L339	W338-G341 WeakPolarHBondContact CZ3-O 3.29Å; L339-G341 PolarHBondContact O-N 3.11Å; L339-G341 VanDerWaalsContact O-N 3.12Å
342	R	93.8	Very high	96.7	Very high	194 Å²	194	20 Å²	20	73%	0.732	10%	0.103	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	142.4	-178	-56.8	-178.6	-173.4	-173.8	1.5	112.3	W338 L339 D340 V344	W338-R342 CarbonylContact C-O 3.54Å; W338-R342 VanDerWaalsContact CA-O 3.26Å; W338-R342 WeakPolarHBondContact CA-O 3.44Å; L339-R342 PolarHBondContact N-O 2.78Å; L339-R342 PolarHBondContact O-N 2.78Å; D340-R342 PolarHBondContact O-N 2.84Å; R342-V344 PolarHBondContact O-N 2.92Å
343	I	96.9	Very high	96.7	Very high	11 Å²	11	20.5 Å²	20.5	6%	0.056	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	124.5	172.2	-58.7	178.7	0	0	0	109.3	A283 V287 Y337 W338 V346	A283-I343 HydrophobicContact CB-CD1 3.89Å; A283-I343 HydrophobicContact CB-CG1 4.42Å; V287-I343 HydrophobicContact CG2-CB 4.31Å; V287-I343 HydrophobicContact CG2-CG2 4.18Å; V287-I343 WeakPolarHBondContact CG2-O 3.31Å; Y337-I343 WeakPolarHBondContact O-CA 3.41Å; W338-I343 HydrophobicContact CD2-CG1 3.77Å; W338-I343 HydrophobicContact CE3-CG1 3.99Å; W338-I343 HydrophobicContact CG-CG1 4.45Å; W338-I343 HydrophobicContact CH2-CD1 3.99Å; W338-I343 HydrophobicContact CH2-CG1 3.78Å; W338-I343 HydrophobicContact CZ2-CD1 3.62Å; W338-I343 HydrophobicContact CZ2-CG1 3.53Å; W338-I343 HydrophobicContact CZ3-CG1 4Å; I343-V346 HydrophobicContact CG2-CG2 3.49Å; I343-V346 VanDerWaalsContact CG2-CG2 3.49Å
344	V	96.1	Very high	96.6	Very high	8 Å²	8	22 Å²	22	5%	0.048	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-21.9	176	-61.3	0	0	0	0	113.1	Y337 L339 R342 Y363 H364 F367	Y337-V344 WeakPolarHBondContact O-CG2 3.43Å; Y337-V344 PolarHBondContact O-N 2.8Å; L339-V344 HydrophobicContact CB-CB 4.48Å; L339-V344 HydrophobicContact CB-CG1 3.64Å; L339-V344 HydrophobicContact CB-CG2 3.97Å; L339-V344 HydrophobicContact CD2-CG1 4.49Å; R342-V344 PolarHBondContact O-N 2.92Å; V344-Y363 CarbonylContact O-C 3.54Å; V344-Y363 VanDerWaalsContact O-CA 3.29Å; V344-Y363 WeakPolarHBondContact O-CA 3.09Å; V344-Y363 WeakPolarHBondContact O-CB 3.45Å; V344-H364 PolarHBondContact O-N 2.84Å; V344-F367 HydrophobicContact CB-CD2 4.1Å; V344-F367 HydrophobicContact CB-CE1 4.43Å; V344-F367 HydrophobicContact CB-CE2 3.9Å; V344-F367 HydrophobicContact CB-CG 4.45Å; V344-F367 HydrophobicContact CB-CZ 4.08Å; V344-F367 HydrophobicContact CG1-CD2 4.26Å; V344-F367 HydrophobicContact CG1-CE1 4.04Å; V344-F367 HydrophobicContact CG1-CE2 3.55Å; V344-F367 HydrophobicContact CG1-CZ 3.42Å; V344-F367 VanDerWaalsContact CG1-CZ 3.42Å
345	A	97.9	Very high	96.6	Very high	2 Å²	2	22 Å²	22	2%	0.017	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	157	173.2	0	0	0	0	0	111.8	Y337 Y362 L372	Y337-A345 WeakPolarHBondContact CB-O 3.27Å; Y337-A345 HydrophobicContact CD2-CB 4.01Å; Y337-A345 HydrophobicContact CG-CB 4.12Å; Y337-A345 PolarHBondContact N-O 2.92Å; A345-Y362 CarbonylContact C-O 3.43Å; A345-Y362 WeakPolarHBondContact CA-O 3.17Å; A345-L372 HydrophobicContact CB-CD1 4.18Å
346	V	98.6	Very high	96.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	118.1	174.4	-173.7	0	0	0	0	110.4	H334 Q335 Q336 I343 Y362	H334-V346 HydrophobicContact CB-CG1 3.63Å; Q335-V346 WeakPolarHBondContact O-CA 3.02Å; Q336-V346 HydrophobicContact CG-CG1 4.08Å; Q336-V346 HydrophobicContact CG-CG2 4.12Å; I343-V346 HydrophobicContact CG2-CG2 3.49Å; I343-V346 VanDerWaalsContact CG2-CG2 3.49Å; V346-Y362 HydrophobicContact CB-CD2 4.32Å; V346-Y362 HydrophobicContact CB-CE1 3.94Å; V346-Y362 HydrophobicContact CB-CE2 3.67Å; V346-Y362 VanDerWaalsContact CB-CZ 3.45Å; V346-Y362 WeakPolarHBondContact CB-OH 3.28Å; V346-Y362 HydrophobicContact CG1-CE1 4.26Å; V346-Y362 HydrophobicContact CG2-CE2 3.69Å; V346-Y362 PolarHBondContact N-O 2.7Å; V346-Y362 PolarHBondContact O-N 2.93Å
347	G	98.3	Very high	96.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.5	168.7	0	0	0	0	0	109.9	H334 Q335	H334-G347 CarbonylContact C-O 3.56Å; H334-G347 WeakPolarHBondContact CA-O 3.12Å; Q335-G347 PolarHBondContact N-O 2.87Å; Q335-G347 PolarHBondContact O-N 2.76Å
348	V	98.6	Very high	96.7	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	116.6	170.6	-173.4	0	0	0	0	107.2	L312 V359 Y360 Y362	L312-V348 HydrophobicContact CB-CG2 4.22Å; L312-V348 HydrophobicContact CD2-CG2 4.31Å; V348-V359 HydrophobicContact CB-CB 4.34Å; V348-V359 HydrophobicContact CG1-CB 4.17Å; V348-V359 WeakPolarHBondContact O-CA 3.36Å; V348-V359 WeakPolarHBondContact O-CB 3.44Å; V348-V359 PolarHBondContact O-N 3.07Å; V348-Y360 PolarHBondContact N-O 2.88Å; V348-Y360 PolarHBondContact O-N 2.78Å; V348-Y362 HydrophobicContact CG2-CE1 4.06Å
349	I	98.6	Very high	96.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	147.8	-173.7	65.7	175.7	0	0	0	111.5	L267 F333 Q335 V356 S357 E380 F383	L267-I349 HydrophobicContact CD1-CD1 3.9Å; F333-I349 HydrophobicContact CB-CG1 4.13Å; F333-I349 PolarHBondContact N-O 2.9Å; F333-I349 PolarHBondContact O-N 3.48Å; F333-I349 VanDerWaalsContact O-O 3.08Å; Q335-I349 HydrophobicContact CB-CD1 4.17Å; I349-V356 HydrophobicContact CB-CG1 4.15Å; I349-V356 HydrophobicContact CD1-CG1 4.01Å; I349-V356 HydrophobicContact CG2-CG1 4.47Å; I349-S357 CarbonylContact C-O 3.56Å; I349-S357 VanDerWaalsContact CA-O 3.29Å; I349-S357 WeakPolarHBondContact CA-O 3.37Å; I349-E380 HydrophobicContact CG2-CG 4.37Å; I349-E380 WeakPolarHBondContact CG2-OE2 3.23Å; I349-F383 HydrophobicContact CD1-CD1 4.24Å; I349-F383 HydrophobicContact CD1-CE1 3.99Å
350	D	98.6	Very high	96.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.1	166	-64.9	-38.9	0	0	0	109.3	Y48 R58 L317 G331 S332 L352 V356 S357 V359	Y48-D350 WeakPolarHBondContact CE1-OD2 3.24Å; R58-D350 IonicContact CZ-OD1 2.65Å; R58-D350 IonicContact CZ-OD2 2.77Å; R58-D350 IonicContact NE-OD1 3.87Å; R58-D350 IonicContact NE-OD2 2.74Å; R58-D350 PolarHBondContact NE-OD2 2.65Å; R58-D350 IonicContact NH2-OD1 2.73Å; R58-D350 PolarHBondContact NH2-OD1 3.46Å; R58-D350 IonicContact NH2-OD2 3.66Å; R58-D350 PolarHBondContact NH2-OD2 3.13Å; L317-D350 HydrophobicContact CD1-CB 3.93Å; L317-D350 WeakPolarHBondContact CD1-OD1 3.41Å; G331-D350 WeakPolarHBondContact O-CA 3.35Å; S332-D350 WeakPolarHBondContact CA-OD1 3.41Å; S332-D350 VanDerWaalsContact CB-OD1 3.3Å; S332-D350 WeakPolarHBondContact CB-OD1 3.41Å; S332-D350 PolarHBondContact OG-OD1 2.88Å; D350-L352 HydrophobicContact CB-CD1 4.49Å; D350-L352 HydrophobicContact CB-CD2 4.19Å; D350-L352 HydrophobicContact CB-CG 4.17Å; D350-V356 WeakPolarHBondContact O-CA 3.41Å; D350-S357 PolarHBondContact N-O 2.65Å; D350-S357 PolarHBondContact O-N 3.3Å; D350-V359 WeakPolarHBondContact OD2-CG2 3.5Å
351	I	98.6	Very high	97.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.1	171	-53.2	179	0	0	0	106.8	L267 P326 M328 Y330 G331 F333 F383 L387 L394	L267-I351 HydrophobicContact CD2-CD1 4.14Å; P326-I351 HydrophobicContact CG-CG2 4.1Å; M328-I351 HydrophobicContact CG-CD1 4.06Å; Y330-I351 WeakPolarHBondContact CA-O 3.44Å; Y330-I351 WeakPolarHBondContact CB-O 3.41Å; Y330-I351 HydrophobicContact CD1-CG2 4.1Å; G331-I351 PolarHBondContact N-O 3.15Å; G331-I351 PolarHBondContact O-N 2.91Å; F333-I351 HydrophobicContact CD2-CB 4.29Å; F333-I351 HydrophobicContact CD2-CD1 3.63Å; F333-I351 HydrophobicContact CD2-CG1 3.7Å; F333-I351 HydrophobicContact CE2-CB 3.98Å; F333-I351 HydrophobicContact CE2-CD1 3.54Å; F333-I351 HydrophobicContact CE2-CG1 3.79Å; F333-I351 HydrophobicContact CG-CD1 4.23Å; F333-I351 HydrophobicContact CZ-CD1 4.04Å; I351-F383 HydrophobicContact CD1-CE1 3.82Å; I351-F383 HydrophobicContact CD1-CZ 3.92Å; I351-F383 HydrophobicContact CG1-CE1 4.38Å; I351-L387 HydrophobicContact CD1-CD1 4.03Å; I351-L387 HydrophobicContact CG1-CD1 4.41Å; I351-L387 HydrophobicContact CG2-CD1 3.68Å; I351-L394 HydrophobicContact CG2-CD1 3.89Å
352	L	98.2	Very high	97.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.082	C	C	.	.			trans	-123.7	165.7	-172.5	-56.8	178.9	0	0	0	110.7	V45 Y48 I52 L317 D350 T354 C355	V45-L352 HydrophobicContact CB-CD2 3.97Å; V45-L352 HydrophobicContact CG1-CD2 4.28Å; Y48-L352 HydrophobicContact CD1-CD1 3.64Å; Y48-L352 HydrophobicContact CD1-CD2 3.9Å; Y48-L352 HydrophobicContact CD1-CG 4.42Å; Y48-L352 HydrophobicContact CE1-CD1 4.05Å; I52-L352 HydrophobicContact CD1-CD1 3.58Å; L317-L352 HydrophobicContact CD1-CD2 3.91Å; D350-L352 HydrophobicContact CB-CD1 4.49Å; D350-L352 HydrophobicContact CB-CD2 4.19Å; D350-L352 HydrophobicContact CB-CG 4.17Å; L352-T354 PolarHBondContact O-N 2.83Å; L352-C355 PolarHBondContact N-O 2.86Å; L352-C355 PolarHBondContact O-N 3.35Å
353	P	97.4	Very high	97.8	Very high	11 Å²	11	8.6 Å²	8.6	7%	0.071	5%	0.049	C	C	.	.	S	Bend	trans	-54.5	-27.5	-173.6	-31.1	38	0	0	0	116.2	V45 K393	V45-P353 HydrophobicContact CG2-CG 4.04Å; P353-K393 WeakPolarHBondContact O-CB 3.08Å
354	T	97.8	Very high	97.8	Very high	34 Å²	34	10.3 Å²	10.3	21%	0.209	6%	0.057	C	C	.	.	S	Bend	trans	-118	-8.5	178	82.2	0	0	0	0	114.8	Q49 L352 K393 L394 C395 Y396	Q49-T354 HydrophobicContact CG-CG2 4.26Å; Q49-T354 PolarHBondContact NE2-OG1 3.31Å; Q49-T354 VanDerWaalsContact NE2-OG1 3.12Å; Q49-T354 VanDerWaalsContact OE1-N 3.12Å; Q49-T354 PolarHBondContact OE1-OG1 3.15Å; L352-T354 PolarHBondContact O-N 2.83Å; T354-K393 WeakPolarHBondContact CA-O 3.4Å; T354-L394 CarbonylContact O-C 3.56Å; T354-L394 WeakPolarHBondContact O-CA 3.32Å; T354-C395 PolarHBondContact O-N 2.9Å; T354-C395 VanDerWaalsContact O-N 3.13Å; T354-Y396 PolarHBondContact O-N 2.82Å; T354-Y396 VanDerWaalsContact O-N 3.15Å
355	C	98.4	Very high	97.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	158.3	-171.7	69.8	0	0	0	0	116.3	L352 Y396 Y398	L352-C355 PolarHBondContact N-O 2.86Å; L352-C355 PolarHBondContact O-N 3.35Å; C355-Y396 WeakPolarHBondContact CA-O 3.28Å; C355-Y396 WeakPolarHBondContact CB-O 3.15Å; C355-Y398 HydrophobicContact CB-CD1 3.39Å; C355-Y398 HydrophobicContact CB-CE1 3.5Å; C355-Y398 VanDerWaalsContact CB-CE1 3.5Å; C355-Y398 HydrophobicContact CB-CG 4.3Å
356	V	98.8	Very high	97.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.5	151	-178.5	0	0	0	0	107.5	I349 D350 F383 T384 L387 L394 Y396 Y397 Y398	I349-V356 HydrophobicContact CB-CG1 4.15Å; I349-V356 HydrophobicContact CD1-CG1 4.01Å; I349-V356 HydrophobicContact CG2-CG1 4.47Å; D350-V356 WeakPolarHBondContact O-CA 3.41Å; V356-F383 HydrophobicContact CG2-CD1 4.13Å; V356-F383 HydrophobicContact CG2-CE1 4.34Å; V356-T384 HydrophobicContact CG2-CG2 4.43Å; V356-T384 WeakPolarHBondContact CG2-OG1 3.36Å; V356-L387 HydrophobicContact CG2-CD1 3.96Å; V356-L394 HydrophobicContact CG2-CD2 4.11Å; V356-Y396 PolarHBondContact N-O 2.81Å; V356-Y396 VanDerWaalsContact N-O 3.1Å; V356-Y397 HydrophobicContact CB-CD2 4.35Å; V356-Y397 CarbonylContact O-C 3.53Å; V356-Y397 WeakPolarHBondContact O-CA 3.43Å; V356-Y397 WeakPolarHBondContact O-CD2 2.93Å; V356-Y398 PolarHBondContact O-N 3.34Å
357	S	98.4	Very high	97.2	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.014	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.1	-179.9	-171	0	0	0	0	110.8	I349 D350 V359	I349-S357 CarbonylContact C-O 3.56Å; I349-S357 VanDerWaalsContact CA-O 3.29Å; I349-S357 WeakPolarHBondContact CA-O 3.37Å; D350-S357 PolarHBondContact N-O 2.65Å; D350-S357 PolarHBondContact O-N 3.3Å; S357-V359 PolarHBondContact O-N 3.14Å
358	S	97.6	Very high	96.7	Very high	21 Å²	21	19.9 Å²	19.9	15%	0.147	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	113.8	178.1	-152.6	0	0	0	0	109.8	E380 Y397 Y398	S358-E380 WeakPolarHBondContact CB-OE2 3.43Å; S358-E380 PolarHBondContact OG-OE2 2.95Å; S358-Y397 WeakPolarHBondContact CB-OH 3.27Å; S358-Y397 PolarHBondContact OG-OH 2.99Å; S358-Y398 PolarHBondContact N-O 3.04Å
359	V	96.6	Very high	96.3	Very high	39 Å²	39	21 Å²	21	24%	0.236	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-48.1	-177.7	-174.9	0	0	0	0	110.3	V348 D350 S357	V348-V359 HydrophobicContact CB-CB 4.34Å; V348-V359 HydrophobicContact CG1-CB 4.17Å; V348-V359 WeakPolarHBondContact O-CA 3.36Å; V348-V359 WeakPolarHBondContact O-CB 3.44Å; V348-V359 PolarHBondContact O-N 3.07Å; D350-V359 WeakPolarHBondContact OD2-CG2 3.5Å; S357-V359 PolarHBondContact O-N 3.14Å
360	Y	96.6	Very high	95.9	Very high	20 Å²	20	21 Å²	21	8%	0.078	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	153.2	-172.8	-160.4	-85.7	0	0	0	111.1	S119 Y291 Q292 L312 V348 Y362	S119-Y360 WeakPolarHBondContact OG-CE2 3.46Å; S119-Y360 PolarHBondContact OG-OH 3.49Å; Y291-Y360 HydrophobicContact CE1-CE1 4.19Å; Q292-Y360 PolarHBondContact NE2-OH 2.95Å; L312-Y360 HydrophobicContact CD1-CD1 3.79Å; L312-Y360 HydrophobicContact CD1-CE1 3.84Å; L312-Y360 HydrophobicContact CD1-CG 4.31Å; L312-Y360 HydrophobicContact CD2-CD1 3.85Å; L312-Y360 HydrophobicContact CD2-CD2 3.77Å; L312-Y360 HydrophobicContact CD2-CE1 4.39Å; L312-Y360 HydrophobicContact CD2-CE2 4.3Å; L312-Y360 HydrophobicContact CD2-CG 3.5Å; L312-Y360 VanDerWaalsContact CD2-CG 3.5Å; V348-Y360 PolarHBondContact N-O 2.88Å; V348-Y360 PolarHBondContact O-N 2.78Å; Y360-Y362 AromaticContact CD1-CD1 3.89Å; Y360-Y362 HydrophobicContact CD1-CD1 3.89Å; Y360-Y362 HydrophobicContact CE1-CD1 4.01Å
361	L	97.3	Very high	95.6	Very high	22 Å²	22	23 Å²	23	12%	0.115	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	130.8	169.4	-179.3	81.4	0	0	0	109.5	Y363	L361-Y363 HydrophobicContact CD2-CD1 4.17Å; L361-Y363 HydrophobicContact CG-CD1 4.49Å
362	Y	97.7	Very high	95.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	153.3	164.9	53.6	-84.3	0	0	0	110.4	S284 V287 Y288 F308 L312 A345 V346 V348 Y360	S284-Y362 VanDerWaalsContact O-CE2 3.24Å; S284-Y362 WeakPolarHBondContact O-CE2 3.49Å; S284-Y362 PolarHBondContact OG-OH 3.24Å; V287-Y362 HydrophobicContact CB-CD2 4.26Å; V287-Y362 HydrophobicContact CB-CE2 4.36Å; V287-Y362 HydrophobicContact CG1-CD2 4.01Å; V287-Y362 HydrophobicContact CG1-CE2 4.5Å; Y288-Y362 HydrophobicContact CD2-CD1 4.25Å; Y288-Y362 HydrophobicContact CD2-CG 4.31Å; F308-Y362 AromaticContact CE2-CE1 3.99Å; F308-Y362 HydrophobicContact CE2-CE1 3.99Å; F308-Y362 HydrophobicContact CE2-CE2 4.44Å; F308-Y362 AromaticContact CE2-CZ 3.7Å; F308-Y362 WeakPolarHBondContact CE2-OH 3.33Å; F308-Y362 WeakPolarHBondContact CZ-OH 3.26Å; L312-Y362 HydrophobicContact CD1-CD1 3.78Å; L312-Y362 HydrophobicContact CD1-CE1 3.72Å; A345-Y362 CarbonylContact C-O 3.43Å; A345-Y362 WeakPolarHBondContact CA-O 3.17Å; V346-Y362 HydrophobicContact CB-CD2 4.32Å; V346-Y362 HydrophobicContact CB-CE1 3.94Å; V346-Y362 HydrophobicContact CB-CE2 3.67Å; V346-Y362 VanDerWaalsContact CB-CZ 3.45Å; V346-Y362 WeakPolarHBondContact CB-OH 3.28Å; V346-Y362 HydrophobicContact CG1-CE1 4.26Å; V346-Y362 HydrophobicContact CG2-CE2 3.69Å; V346-Y362 PolarHBondContact N-O 2.7Å; V346-Y362 PolarHBondContact O-N 2.93Å; V348-Y362 HydrophobicContact CG2-CE1 4.06Å; Y360-Y362 AromaticContact CD1-CD1 3.89Å; Y360-Y362 HydrophobicContact CD1-CD1 3.89Å; Y360-Y362 HydrophobicContact CE1-CD1 4.01Å
363	Y	97.8	Very high	95.1	Very high	10 Å²	10	23.8 Å²	23.8	4%	0.039	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	156.7	-177.7	59.1	-95.1	0	0	0	112.2	Y291 V344 L361 L372	Y291-Y363 WeakPolarHBondContact CB-O 3.16Å; Y291-Y363 HydrophobicContact CD2-CD1 4.22Å; Y291-Y363 HydrophobicContact CD2-CE1 4.24Å; Y291-Y363 HydrophobicContact CD2-CG 4.38Å; Y291-Y363 WeakPolarHBondContact CD2-O 3.02Å; Y291-Y363 AromaticContact CE2-CD1 3.94Å; Y291-Y363 HydrophobicContact CE2-CD1 3.94Å; Y291-Y363 AromaticContact CE2-CE1 3.65Å; Y291-Y363 HydrophobicContact CE2-CE1 3.65Å; Y291-Y363 AromaticContact CE2-CZ 4Å; V344-Y363 CarbonylContact O-C 3.54Å; V344-Y363 VanDerWaalsContact O-CA 3.29Å; V344-Y363 WeakPolarHBondContact O-CA 3.09Å; V344-Y363 WeakPolarHBondContact O-CB 3.45Å; L361-Y363 HydrophobicContact CD2-CD1 4.17Å; L361-Y363 HydrophobicContact CG-CD1 4.49Å; Y363-L372 HydrophobicContact CD1-CB 4.15Å; Y363-L372 HydrophobicContact CD2-CD1 3.99Å; Y363-L372 HydrophobicContact CG-CB 4.17Å; Y363-L372 HydrophobicContact CG-CD1 3.82Å
364	H	96.4	Very high	95	Very high	46 Å²	46	24.5 Å²	24.5	21%	0.213	14%	0.144	C	C	.	.			trans	-68.5	129.4	-178.9	-171.4	-75.7	0	0	0	110.1	V287 V344 D366 F367	V287-H364 HydrophobicContact CG1-CB 4.17Å; V344-H364 PolarHBondContact O-N 2.84Å; H364-D366 VanDerWaalsContact C-N 3.29Å; H364-D366 IonicContact CE1-OD1 3.18Å; H364-D366 PolarHBondContact CE1-OD1 3.03Å; H364-D366 IonicContact CE1-OD2 3.2Å; H364-D366 PolarHBondContact CE1-OD2 3.4Å; H364-D366 VanDerWaalsContact CE1-OD2 3.23Å; H364-D366 IonicContact ND1-OD1 3.9Å; H364-D366 IonicContact ND1-OD2 2.81Å; H364-D366 PolarHBondContact O-N 3.43Å; H364-D366 VanDerWaalsContact O-N 3.11Å; H364-F367 HydrophobicContact CB-CD2 3.78Å; H364-F367 HydrophobicContact CB-CE2 4.01Å; H364-F367 WeakPolarHBondContact O-CD2 3.39Å; H364-F367 PolarHBondContact O-N 3.33Å
365	P	94.6	Very high	94.9	Very high	30 Å²	30	23 Å²	23	20%	0.195	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-55.5	-34.4	-167.8	-30.7	37.3	0	0	0	115.8	L290 A294 F367 T368	L290-P365 HydrophobicContact CB-CG 4.34Å; A294-P365 HydrophobicContact CB-CB 3.87Å; A294-P365 HydrophobicContact CB-CG 3.41Å; A294-P365 VanDerWaalsContact CB-CG 3.41Å; P365-F367 PolarHBondContact O-N 3.5Å; P365-T368 VanDerWaalsContact O-CB 3.28Å; P365-T368 WeakPolarHBondContact O-CB 3.38Å; P365-T368 PolarHBondContact O-N 3.43Å; P365-T368 PolarHBondContact O-OG1 3.04Å
366	D	92.6	Very high	94.8	Very high	105 Å²	105	23.2 Å²	23.2	56%	0.561	14%	0.136	S	C	*	.	G	3₁₀ helix	trans	-53.7	-26.7	177.6	-56.3	6.7	0	0	0	113.5	H364	H364-D366 VanDerWaalsContact C-N 3.29Å; H364-D366 IonicContact CE1-OD1 3.18Å; H364-D366 PolarHBondContact CE1-OD1 3.03Å; H364-D366 IonicContact CE1-OD2 3.2Å; H364-D366 PolarHBondContact CE1-OD2 3.4Å; H364-D366 VanDerWaalsContact CE1-OD2 3.23Å; H364-D366 IonicContact ND1-OD1 3.9Å; H364-D366 IonicContact ND1-OD2 2.81Å; H364-D366 PolarHBondContact O-N 3.43Å; H364-D366 VanDerWaalsContact O-N 3.11Å
367	F	91.7	Very high	94.7	Very high	22 Å²	22	23.2 Å²	23.2	10%	0.096	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-93.6	8.1	-178.6	-55.9	-92	0	0	0	113.5	Y101 L339 V344 H364 P365 S369 L370 L372	Y101-F367 HydrophobicContact CE1-CD1 4.17Å; Y101-F367 AromaticContact CE1-CE1 3.83Å; Y101-F367 HydrophobicContact CE1-CE1 3.83Å; Y101-F367 AromaticContact CZ-CE1 3.86Å; Y101-F367 WeakPolarHBondContact OH-CE1 3.3Å; L339-F367 HydrophobicContact CD2-CE1 3.87Å; L339-F367 HydrophobicContact CD2-CZ 4.15Å; V344-F367 HydrophobicContact CB-CD2 4.1Å; V344-F367 HydrophobicContact CB-CE1 4.43Å; V344-F367 HydrophobicContact CB-CE2 3.9Å; V344-F367 HydrophobicContact CB-CG 4.45Å; V344-F367 HydrophobicContact CB-CZ 4.08Å; V344-F367 HydrophobicContact CG1-CD2 4.26Å; V344-F367 HydrophobicContact CG1-CE1 4.04Å; V344-F367 HydrophobicContact CG1-CE2 3.55Å; V344-F367 HydrophobicContact CG1-CZ 3.42Å; V344-F367 VanDerWaalsContact CG1-CZ 3.42Å; H364-F367 HydrophobicContact CB-CD2 3.78Å; H364-F367 HydrophobicContact CB-CE2 4.01Å; H364-F367 WeakPolarHBondContact O-CD2 3.39Å; H364-F367 PolarHBondContact O-N 3.33Å; P365-F367 PolarHBondContact O-N 3.5Å; F367-S369 PolarHBondContact O-N 2.92Å; F367-S369 VanDerWaalsContact O-N 3.14Å; F367-L370 HydrophobicContact CB-CD1 4.36Å; F367-L370 HydrophobicContact CD1-CD1 3.81Å; F367-L370 WeakPolarHBondContact O-CB 3.27Å; F367-L370 PolarHBondContact O-N 3.19Å; F367-L372 HydrophobicContact CB-CD1 3.5Å; F367-L372 HydrophobicContact CB-CG 4.43Å; F367-L372 HydrophobicContact CG-CD1 4.46Å
368	T	89.4	Confident	94.7	Very high	54 Å²	54	23.1 Å²	23.1	33%	0.331	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-51.1	-38.9	176.9	-63.4	0	0	0	0	111.7	P365 L370 S371	P365-T368 VanDerWaalsContact O-CB 3.28Å; P365-T368 WeakPolarHBondContact O-CB 3.38Å; P365-T368 PolarHBondContact O-N 3.43Å; P365-T368 PolarHBondContact O-OG1 3.04Å; T368-L370 PolarHBondContact O-N 3.41Å; T368-S371 PolarHBondContact O-N 2.83Å
369	S	89.3	Confident	94.7	Very high	25 Å²	25	24.5 Å²	24.5	18%	0.175	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-60.9	-26.1	178.4	73.1	0	0	0	0	113.2	K97 F367 S371	K97-S369 WeakPolarHBondContact CE-O 3.48Å; K97-S369 PolarHBondContact NZ-O 2.8Å; F367-S369 PolarHBondContact O-N 2.92Å; F367-S369 VanDerWaalsContact O-N 3.14Å; S369-S371 PolarHBondContact O-N 2.94Å
370	L	90.8	Very high	94.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-78.2	-3.6	-178.1	-57.5	-176.6	0	0	0	113.9	K97 M98 Y101 L107 P108 F367 T368 L372	K97-L370 HydrophobicContact CG-CD2 4.45Å; M98-L370 HydrophobicContact CE-CD1 4.45Å; M98-L370 HydrophobicContact SD-CB 4.32Å; M98-L370 HydrophobicContact SD-CD1 3.73Å; Y101-L370 HydrophobicContact CD1-CD1 3.48Å; Y101-L370 VanDerWaalsContact CD1-CD1 3.48Å; Y101-L370 HydrophobicContact CE1-CD1 3.92Å; Y101-L370 HydrophobicContact CG-CD1 3.87Å; Y101-L370 HydrophobicContact CG-CD2 4.08Å; L107-L370 HydrophobicContact CD2-CD1 4.33Å; L107-L370 HydrophobicContact CD2-CD2 4.24Å; L107-L370 HydrophobicContact CD2-CG 4.2Å; P108-L370 HydrophobicContact CG-CD2 4.4Å; F367-L370 HydrophobicContact CB-CD1 4.36Å; F367-L370 HydrophobicContact CD1-CD1 3.81Å; F367-L370 WeakPolarHBondContact O-CB 3.27Å; F367-L370 PolarHBondContact O-N 3.19Å; T368-L370 PolarHBondContact O-N 3.41Å; L370-L372 HydrophobicContact CB-CD2 4.26Å; L370-L372 HydrophobicContact CB-CG 4.26Å; L370-L372 PolarHBondContact O-N 3.03Å
371	S	92.6	Very high	94.9	Very high	42 Å²	42	21.7 Å²	21.7	29%	0.294	12%	0.123	S	C	.	.			trans	57.9	45.5	179.1	-50.5	0	0	0	0	112.6	T368 S369 G373 S374 Y375	T368-S371 PolarHBondContact O-N 2.83Å; S369-S371 PolarHBondContact O-N 2.94Å; S371-G373 PolarHBondContact O-N 2.92Å; S371-G373 VanDerWaalsContact O-N 3.11Å; S371-S374 PolarHBondContact O-N 3.45Å; S371-Y375 PolarHBondContact O-N 3.13Å; S371-Y375 VanDerWaalsContact O-N 3.17Å
372	L	93.2	Very high	94.9	Very high	6 Å²	6	21.5 Å²	21.5	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-55.9	-31.1	-171.7	-69.4	173.1	0	0	0	114.1	M98 A345 Y363 F367 L370 S374 Y375 S376	M98-L372 HydrophobicContact SD-CD2 4.38Å; A345-L372 HydrophobicContact CB-CD1 4.18Å; Y363-L372 HydrophobicContact CD1-CB 4.15Å; Y363-L372 HydrophobicContact CD2-CD1 3.99Å; Y363-L372 HydrophobicContact CG-CB 4.17Å; Y363-L372 HydrophobicContact CG-CD1 3.82Å; F367-L372 HydrophobicContact CB-CD1 3.5Å; F367-L372 HydrophobicContact CB-CG 4.43Å; F367-L372 HydrophobicContact CG-CD1 4.46Å; L370-L372 HydrophobicContact CB-CD2 4.26Å; L370-L372 HydrophobicContact CB-CG 4.26Å; L370-L372 PolarHBondContact O-N 3.03Å; L372-S374 VanDerWaalsContact C-N 3.28Å; L372-S374 PolarHBondContact O-N 3.13Å; L372-Y375 HydrophobicContact CD2-CD1 4.37Å; L372-Y375 PolarHBondContact O-N 3.31Å; L372-S376 PolarHBondContact O-N 3.03Å
373	G	92	Very high	94.9	Very high	11 Å²	11	22.8 Å²	22.8	11%	0.113	13%	0.13	C	C	.	.	H	α-helix	trans	-54.4	-38	170.9	0	0	0	0	0	115	S371	S371-G373 PolarHBondContact O-N 2.92Å; S371-G373 VanDerWaalsContact O-N 3.11Å
374	S	94.6	Very high	95	Very high	26 Å²	26	22.3 Å²	22.3	18%	0.182	13%	0.128	C	C	.	.	H	α-helix	trans	-89	-27.5	177.5	-61.3	0	0	0	0	112.2	S371 L372 L378 Y415	S371-S374 PolarHBondContact O-N 3.45Å; L372-S374 VanDerWaalsContact C-N 3.28Å; L372-S374 PolarHBondContact O-N 3.13Å; S374-L378 VanDerWaalsContact O-CG 3.29Å; S374-L378 WeakPolarHBondContact O-CG 3.47Å; S374-L378 PolarHBondContact O-N 2.96Å; S374-Y415 WeakPolarHBondContact CA-OH 3.47Å; S374-Y415 PolarHBondContact O-OH 2.84Å
375	Y	95.9	Very high	95	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	12%	0.124	C	C	.	.	H	α-helix	trans	-69.9	-43.6	175	-178.3	-102.9	0	0	0	111.9	L95 M98 L263 Y337 S371 L372 A377 L378 R379	L95-Y375 HydrophobicContact CD2-CD2 4.3Å; L95-Y375 HydrophobicContact CD2-CE2 4.1Å; M98-Y375 HydrophobicContact CB-CD2 3.92Å; M98-Y375 HydrophobicContact CB-CE2 3.75Å; M98-Y375 HydrophobicContact CE-CE1 4.33Å; M98-Y375 HydrophobicContact CG-CD1 4.5Å; M98-Y375 HydrophobicContact CG-CD2 4Å; M98-Y375 HydrophobicContact CG-CE1 4.14Å; M98-Y375 HydrophobicContact CG-CE2 3.59Å; M98-Y375 HydrophobicContact CG-CG 4.44Å; L263-Y375 HydrophobicContact CD2-CE1 4.36Å; Y337-Y375 HydrophobicContact CD1-CE1 4.21Å; Y337-Y375 HydrophobicContact CE1-CD1 4.09Å; Y337-Y375 AromaticContact CE1-CE1 3.82Å; Y337-Y375 HydrophobicContact CE1-CE1 3.82Å; S371-Y375 PolarHBondContact O-N 3.13Å; S371-Y375 VanDerWaalsContact O-N 3.17Å; L372-Y375 HydrophobicContact CD2-CD1 4.37Å; L372-Y375 PolarHBondContact O-N 3.31Å; Y375-A377 PolarHBondContact O-N 3.35Å; Y375-L378 WeakPolarHBondContact O-CB 3.45Å; Y375-L378 PolarHBondContact O-N 2.73Å; Y375-L378 VanDerWaalsContact O-N 3.12Å; Y375-R379 HydrophobicContact CD1-CG 4.08Å; Y375-R379 HydrophobicContact CE1-CG 3.63Å; Y375-R379 HydrophobicContact CE2-CG 4.34Å; Y375-R379 WeakPolarHBondContact O-CG 3.45Å; Y375-R379 PolarHBondContact O-N 3.07Å; Y375-R379 PolarHBondContact OH-NH1 2.83Å
376	S	96.8	Very high	95.2	Very high	5 Å²	5	26.9 Å²	26.9	4%	0.035	14%	0.143	C	C	.	.	H	α-helix	trans	-60.7	-46.9	178	90.5	0	0	0	0	110.4	Y337 L372 L378 R379 E380	Y337-S376 WeakPolarHBondContact OH-CA 3.49Å; L372-S376 PolarHBondContact O-N 3.03Å; S376-L378 PolarHBondContact O-N 2.76Å; S376-L378 VanDerWaalsContact O-N 3.14Å; S376-R379 CarbonylContact O-C 3.46Å; S376-R379 WeakPolarHBondContact O-CA 3.39Å; S376-R379 WeakPolarHBondContact O-CB 3.48Å; S376-R379 PolarHBondContact O-N 2.81Å; S376-E380 WeakPolarHBondContact CB-OE1 3.42Å; S376-E380 WeakPolarHBondContact O-CB 3.25Å; S376-E380 VanDerWaalsContact O-CG 3.31Å; S376-E380 WeakPolarHBondContact O-CG 3.39Å; S376-E380 PolarHBondContact O-N 3.02Å; S376-E380 PolarHBondContact OG-OE1 2.83Å
377	A	97.3	Very high	95.4	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.008	12%	0.117	C	C	.	.	H	α-helix	trans	-56.6	-33.9	175.8	0	0	0	0	0	113.6	Y375 I381 Y397 Y415	Y375-A377 PolarHBondContact O-N 3.35Å; A377-I381 WeakPolarHBondContact O-CD1 3.32Å; A377-I381 VanDerWaalsContact O-CG1 3.23Å; A377-I381 WeakPolarHBondContact O-CG1 3.28Å; A377-I381 PolarHBondContact O-N 3.34Å; A377-I381 VanDerWaalsContact O-N 3.08Å; A377-Y397 WeakPolarHBondContact CA-OH 3.1Å; A377-Y397 HydrophobicContact CB-CE1 3.98Å; A377-Y415 HydrophobicContact CB-CE1 3.84Å
378	L	97.9	Very high	95.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-72.5	-37.9	174.2	-67.8	168.1	0	0	0	112.1	F85 H91 L95 L247 S374 Y375 S376 A382 Y415	F85-L378 HydrophobicContact CE1-CD2 3.68Å; F85-L378 HydrophobicContact CZ-CD2 3.46Å; F85-L378 VanDerWaalsContact CZ-CD2 3.46Å; H91-L378 HydrophobicContact CB-CD1 3.98Å; H91-L378 HydrophobicContact CB-CD2 3.94Å; L95-L378 HydrophobicContact CD1-CD1 4.13Å; L95-L378 HydrophobicContact CD2-CD1 4.2Å; L95-L378 HydrophobicContact CG-CD1 3.91Å; L247-L378 HydrophobicContact CD1-CB 4.21Å; L247-L378 HydrophobicContact CD1-CD2 4.23Å; S374-L378 VanDerWaalsContact O-CG 3.29Å; S374-L378 WeakPolarHBondContact O-CG 3.47Å; S374-L378 PolarHBondContact O-N 2.96Å; Y375-L378 WeakPolarHBondContact O-CB 3.45Å; Y375-L378 PolarHBondContact O-N 2.73Å; Y375-L378 VanDerWaalsContact O-N 3.12Å; S376-L378 PolarHBondContact O-N 2.76Å; S376-L378 VanDerWaalsContact O-N 3.14Å; L378-A382 PolarHBondContact O-N 3.36Å; L378-A382 VanDerWaalsContact O-N 3.13Å; L378-Y415 HydrophobicContact CD2-CE1 4.07Å; L378-Y415 HydrophobicContact CG-CE1 4.34Å
379	R	97.7	Very high	95.9	Very high	50 Å²	50	28.8 Å²	28.8	19%	0.189	14%	0.143	C	C	.	.	H	α-helix	trans	-68.7	-37.8	173.7	-67.5	-74.1	-64.3	-136	17.4	112	V265 Y337 Y375 S376 A382 F383	V265-R379 VanDerWaalsContact CG2-NH2 3.27Å; Y337-R379 HydrophobicContact CE1-CB 4.44Å; Y337-R379 HydrophobicContact CE1-CG 4.09Å; Y337-R379 VanDerWaalsContact OH-CB 3.31Å; Y337-R379 WeakPolarHBondContact OH-CB 3.1Å; Y375-R379 HydrophobicContact CD1-CG 4.08Å; Y375-R379 HydrophobicContact CE1-CG 3.63Å; Y375-R379 HydrophobicContact CE2-CG 4.34Å; Y375-R379 WeakPolarHBondContact O-CG 3.45Å; Y375-R379 PolarHBondContact O-N 3.07Å; Y375-R379 PolarHBondContact OH-NH1 2.83Å; S376-R379 CarbonylContact O-C 3.46Å; S376-R379 WeakPolarHBondContact O-CA 3.39Å; S376-R379 WeakPolarHBondContact O-CB 3.48Å; S376-R379 PolarHBondContact O-N 2.81Å; R379-A382 PolarHBondContact O-N 3.18Å; R379-F383 VanDerWaalsContact O-CB 3.27Å; R379-F383 WeakPolarHBondContact O-CB 3.41Å; R379-F383 PolarHBondContact O-N 3.45Å
380	E	98.4	Very high	96.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68	-36.2	176.8	-69.6	164.8	-112.9	0	0	111.3	I349 S358 S376 F383 T384 Y397	I349-E380 HydrophobicContact CG2-CG 4.37Å; I349-E380 WeakPolarHBondContact CG2-OE2 3.23Å; S358-E380 WeakPolarHBondContact CB-OE2 3.43Å; S358-E380 PolarHBondContact OG-OE2 2.95Å; S376-E380 WeakPolarHBondContact CB-OE1 3.42Å; S376-E380 WeakPolarHBondContact O-CB 3.25Å; S376-E380 VanDerWaalsContact O-CG 3.31Å; S376-E380 WeakPolarHBondContact O-CG 3.39Å; S376-E380 PolarHBondContact O-N 3.02Å; S376-E380 PolarHBondContact OG-OE1 2.83Å; E380-F383 PolarHBondContact O-N 2.82Å; E380-T384 WeakPolarHBondContact O-CB 3.32Å; E380-T384 PolarHBondContact O-N 2.95Å; E380-T384 PolarHBondContact O-OG1 3.28Å; E380-Y397 HydrophobicContact CB-CD2 3.98Å; E380-Y397 HydrophobicContact CB-CE1 4.47Å; E380-Y397 HydrophobicContact CB-CE2 3.42Å; E380-Y397 VanDerWaalsContact CB-CE2 3.42Å; E380-Y397 HydrophobicContact CG-CE2 4.25Å; E380-Y397 WeakPolarHBondContact OE2-CE2 3.48Å; E380-Y397 PolarHBondContact OE2-OH 2.88Å; E380-Y397 VanDerWaalsContact OE2-OH 3.13Å
381	I	98.4	Very high	96.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.3	-47.8	169.4	-70.1	164.8	0	0	0	111.5	A82 F85 L247 A377 F383 T384 R385 Y397 Y415	A82-I381 HydrophobicContact CB-CG2 4.2Å; F85-I381 HydrophobicContact CB-CG2 4.09Å; F85-I381 HydrophobicContact CD1-CD1 4.13Å; F85-I381 HydrophobicContact CD1-CG2 3.73Å; F85-I381 HydrophobicContact CD2-CD1 4.09Å; F85-I381 HydrophobicContact CE1-CD1 4.14Å; F85-I381 HydrophobicContact CE1-CG2 4.43Å; F85-I381 HydrophobicContact CE2-CD1 4.13Å; F85-I381 HydrophobicContact CG-CD1 4.08Å; F85-I381 HydrophobicContact CG-CG2 4.06Å; F85-I381 HydrophobicContact CZ-CD1 4.13Å; L247-I381 HydrophobicContact CD2-CB 4.2Å; L247-I381 HydrophobicContact CD2-CG2 3.77Å; A377-I381 WeakPolarHBondContact O-CD1 3.32Å; A377-I381 VanDerWaalsContact O-CG1 3.23Å; A377-I381 WeakPolarHBondContact O-CG1 3.28Å; A377-I381 PolarHBondContact O-N 3.34Å; A377-I381 VanDerWaalsContact O-N 3.08Å; I381-F383 VanDerWaalsContact C-N 3.27Å; I381-F383 PolarHBondContact O-N 2.95Å; I381-T384 WeakPolarHBondContact O-CB 3.37Å; I381-T384 PolarHBondContact O-N 3.4Å; I381-R385 WeakPolarHBondContact O-CG 3.27Å; I381-R385 PolarHBondContact O-N 3.18Å; I381-Y397 HydrophobicContact CD1-CD1 3.87Å; I381-Y397 HydrophobicContact CD1-CE1 4.3Å; I381-Y397 HydrophobicContact CG1-CD1 3.3Å; I381-Y397 HydrophobicContact CG1-CE1 3.95Å; I381-Y397 HydrophobicContact CG1-CG 3.83Å; I381-Y415 HydrophobicContact CD1-CD1 3.56Å; I381-Y415 HydrophobicContact CD1-CE1 4.18Å
382	A	98.1	Very high	96.5	Very high	17 Å²	17	34.7 Å²	34.7	14%	0.14	17%	0.171	C	C	.	.	H	α-helix	trans	-62	-36.8	176.7	0	0	0	0	0	112	L247 I251 L378 R379 R385 K386	L247-A382 HydrophobicContact CD2-CB 3.99Å; L247-A382 HydrophobicContact CG-CB 4.25Å; I251-A382 HydrophobicContact CD1-CB 3.5Å; I251-A382 VanDerWaalsContact CD1-CB 3.5Å; L378-A382 PolarHBondContact O-N 3.36Å; L378-A382 VanDerWaalsContact O-N 3.13Å; R379-A382 PolarHBondContact O-N 3.18Å; A382-R385 PolarHBondContact O-N 3.32Å; A382-K386 PolarHBondContact O-N 3.28Å
383	F	98.1	Very high	96.6	Very high	27 Å²	27	40.5 Å²	40.5	12%	0.118	20%	0.196	C	C	.	.	H	α-helix	trans	-66.6	-44.2	174.2	-178.9	-120.3	0	0	0	111.7	L267 I349 I351 V356 R379 E380 I381 R385 K386 L387	L267-F383 HydrophobicContact CD1-CE1 4.28Å; L267-F383 HydrophobicContact CD1-CZ 4.2Å; L267-F383 HydrophobicContact CD2-CE1 4.47Å; L267-F383 HydrophobicContact CD2-CE2 4.36Å; L267-F383 HydrophobicContact CD2-CZ 3.68Å; I349-F383 HydrophobicContact CD1-CD1 4.24Å; I349-F383 HydrophobicContact CD1-CE1 3.99Å; I351-F383 HydrophobicContact CD1-CE1 3.82Å; I351-F383 HydrophobicContact CD1-CZ 3.92Å; I351-F383 HydrophobicContact CG1-CE1 4.38Å; V356-F383 HydrophobicContact CG2-CD1 4.13Å; V356-F383 HydrophobicContact CG2-CE1 4.34Å; R379-F383 VanDerWaalsContact O-CB 3.27Å; R379-F383 WeakPolarHBondContact O-CB 3.41Å; R379-F383 PolarHBondContact O-N 3.45Å; E380-F383 PolarHBondContact O-N 2.82Å; I381-F383 VanDerWaalsContact C-N 3.27Å; I381-F383 PolarHBondContact O-N 2.95Å; F383-R385 VanDerWaalsContact C-N 3.3Å; F383-R385 PolarHBondContact O-N 3.49Å; F383-K386 WeakPolarHBondContact O-CA 3.44Å; F383-K386 WeakPolarHBondContact O-CB 3.2Å; F383-K386 PolarHBondContact O-N 3.27Å; F383-L387 HydrophobicContact CD1-CD1 4.33Å; F383-L387 HydrophobicContact CD2-CD2 4.45Å; F383-L387 HydrophobicContact CD2-CG 4.46Å; F383-L387 HydrophobicContact CE1-CD1 3.71Å; F383-L387 HydrophobicContact CE1-CG 4.19Å; F383-L387 HydrophobicContact CE2-CD1 4.4Å; F383-L387 HydrophobicContact CE2-CD2 3.72Å; F383-L387 HydrophobicContact CE2-CG 4.06Å; F383-L387 HydrophobicContact CZ-CD1 3.73Å; F383-L387 HydrophobicContact CZ-CD2 3.73Å; F383-L387 HydrophobicContact CZ-CG 3.9Å; F383-L387 WeakPolarHBondContact O-CG 3.45Å; F383-L387 PolarHBondContact O-N 3.37Å
384	T	98.5	Very high	96.9	Very high	1 Å²	1	40 Å²	40	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-54.1	-46.6	173.3	-54.3	0	0	0	0	110.8	A82 V356 E380 I381 K386 L387 Q388 L394 Y396	A82-T384 HydrophobicContact CB-CG2 3.54Å; V356-T384 HydrophobicContact CG2-CG2 4.43Å; V356-T384 WeakPolarHBondContact CG2-OG1 3.36Å; E380-T384 WeakPolarHBondContact O-CB 3.32Å; E380-T384 PolarHBondContact O-N 2.95Å; E380-T384 PolarHBondContact O-OG1 3.28Å; I381-T384 WeakPolarHBondContact O-CB 3.37Å; I381-T384 PolarHBondContact O-N 3.4Å; T384-K386 VanDerWaalsContact C-N 3.33Å; T384-K386 PolarHBondContact O-N 3.49Å; T384-L387 PolarHBondContact O-N 2.81Å; T384-Q388 PolarHBondContact O-N 3.35Å; T384-L394 HydrophobicContact CG2-CD2 3.7Å; T384-Y396 VanDerWaalsContact CG2-O 3.31Å; T384-Y396 WeakPolarHBondContact CG2-O 3.21Å
385	R	97.8	Very high	97	Very high	35 Å²	35	40.2 Å²	40.2	13%	0.132	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-35.5	174.9	-66.6	166.7	171.1	-159	-11.7	113.5	A82 L83 F85 E248 I381 A382 F383	A82-R385 HydrophobicContact CB-CG 4.35Å; A82-R385 PolarHBondContact O-NE 3.4Å; A82-R385 PolarHBondContact O-NH2 2.79Å; L83-R385 HydrophobicContact CD2-CG 4.27Å; L83-R385 PolarHBondContact O-NH2 3.33Å; F85-R385 PolarHBondContact O-NH2 3Å; E248-R385 WeakPolarHBondContact OE1-CD 3.5Å; E248-R385 IonicContact OE1-CZ 3.16Å; E248-R385 IonicContact OE1-NE 2.69Å; E248-R385 IonicContact OE1-NH1 3.13Å; E248-R385 PolarHBondContact OE1-NH1 3.02Å; E248-R385 IonicContact OE2-NH1 2.72Å; E248-R385 PolarHBondContact OE2-NH1 3.22Å; I381-R385 WeakPolarHBondContact O-CG 3.27Å; I381-R385 PolarHBondContact O-N 3.18Å; A382-R385 PolarHBondContact O-N 3.32Å; F383-R385 VanDerWaalsContact C-N 3.3Å; F383-R385 PolarHBondContact O-N 3.49Å
386	K	97	Very high	97.1	Very high	136 Å²	136	42.8 Å²	42.8	59%	0.591	20%	0.201	S	C	*	.	H	α-helix	trans	-64.7	-45.6	174.1	-175.9	-176.1	174.9	-176.3	0	110.5	A382 F383 T384 K389	A382-K386 PolarHBondContact O-N 3.28Å; F383-K386 WeakPolarHBondContact O-CA 3.44Å; F383-K386 WeakPolarHBondContact O-CB 3.2Å; F383-K386 PolarHBondContact O-N 3.27Å; T384-K386 VanDerWaalsContact C-N 3.33Å; T384-K386 PolarHBondContact O-N 3.49Å; K386-K389 WeakPolarHBondContact O-CB 3.33Å; K386-K389 PolarHBondContact O-N 2.74Å
387	L	97.4	Very high	97.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67.7	-34.6	178.9	-59.6	-169.6	0	0	0	112.7	P326 M328 I351 V356 F383 T384 K389 Q390 S391 L394	P326-L387 HydrophobicContact CB-CB 4.42Å; P326-L387 HydrophobicContact CB-CD1 4.47Å; P326-L387 HydrophobicContact CB-CD2 4.01Å; M328-L387 HydrophobicContact CE-CD2 3.93Å; M328-L387 HydrophobicContact SD-CD2 3.46Å; M328-L387 WeakPolarHBondContact SD-CD2 3.34Å; I351-L387 HydrophobicContact CD1-CD1 4.03Å; I351-L387 HydrophobicContact CG1-CD1 4.41Å; I351-L387 HydrophobicContact CG2-CD1 3.68Å; V356-L387 HydrophobicContact CG2-CD1 3.96Å; F383-L387 HydrophobicContact CD1-CD1 4.33Å; F383-L387 HydrophobicContact CD2-CD2 4.45Å; F383-L387 HydrophobicContact CD2-CG 4.46Å; F383-L387 HydrophobicContact CE1-CD1 3.71Å; F383-L387 HydrophobicContact CE1-CG 4.19Å; F383-L387 HydrophobicContact CE2-CD1 4.4Å; F383-L387 HydrophobicContact CE2-CD2 3.72Å; F383-L387 HydrophobicContact CE2-CG 4.06Å; F383-L387 HydrophobicContact CZ-CD1 3.73Å; F383-L387 HydrophobicContact CZ-CD2 3.73Å; F383-L387 HydrophobicContact CZ-CG 3.9Å; F383-L387 WeakPolarHBondContact O-CG 3.45Å; F383-L387 PolarHBondContact O-N 3.37Å; T384-L387 PolarHBondContact O-N 2.81Å; L387-K389 PolarHBondContact O-N 2.67Å; L387-K389 VanDerWaalsContact O-N 3.16Å; L387-Q390 WeakPolarHBondContact O-CA 3.44Å; L387-Q390 WeakPolarHBondContact O-CB 3.47Å; L387-Q390 PolarHBondContact O-N 2.86Å; L387-S391 PolarHBondContact O-N 2.79Å; L387-L394 HydrophobicContact CB-CD1 4Å; L387-L394 HydrophobicContact CB-CD2 4.4Å; L387-L394 HydrophobicContact CD1-CD1 3.92Å
388	Q	97.1	Very high	97.2	Very high	41 Å²	41	42.7 Å²	42.7	19%	0.192	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-28.7	179.4	-164.2	-84.1	-26	0	0	113	L83 T384 Q390 S391 T392 L394	L83-Q388 HydrophobicContact CD1-CG 4.07Å; L83-Q388 HydrophobicContact CD2-CB 4.11Å; L83-Q388 HydrophobicContact CD2-CG 3.91Å; L83-Q388 HydrophobicContact CG-CG 4.31Å; T384-Q388 PolarHBondContact O-N 3.35Å; Q388-Q390 PolarHBondContact O-N 2.58Å; Q388-S391 WeakPolarHBondContact CA-O 3.29Å; Q388-S391 CarbonylContact O-C 3.59Å; Q388-T392 PolarHBondContact NE2-O 3.22Å; Q388-L394 VanDerWaalsContact CB-O 3.27Å; Q388-L394 WeakPolarHBondContact CB-O 3.41Å; Q388-L394 WeakPolarHBondContact CG-O 3.2Å
389	K	95.8	Very high	97.2	Very high	180 Å²	180	43 Å²	43	78%	0.783	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-22	173.4	-61.6	179	-179.7	-175.1	0	113.6	K386 L387	K386-K389 WeakPolarHBondContact O-CB 3.33Å; K386-K389 PolarHBondContact O-N 2.74Å; L387-K389 PolarHBondContact O-N 2.67Å; L387-K389 VanDerWaalsContact O-N 3.16Å
390	Q	95.1	Very high	97.1	Very high	81 Å²	81	41.1 Å²	41.1	38%	0.379	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-40.3	175.3	-63.7	-179.6	-27.8	0	0	111	E327 L387 Q388	E327-Q390 PolarHBondContact OE2-NE2 3.48Å; L387-Q390 WeakPolarHBondContact O-CA 3.44Å; L387-Q390 WeakPolarHBondContact O-CB 3.47Å; L387-Q390 PolarHBondContact O-N 2.86Å; Q388-Q390 PolarHBondContact O-N 2.58Å
391	S	95.2	Very high	96.9	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.014	20%	0.201	C	C	.	.			trans	-124.5	105.9	179	-168.2	0	0	0	0	111.7	D324 Y330 L387 Q388 K393 L394	D324-S391 WeakPolarHBondContact O-CA 3.22Å; D324-S391 WeakPolarHBondContact O-CB 3.29Å; D324-S391 PolarHBondContact O-OG 3.13Å; Y330-S391 PolarHBondContact OH-OG 3.28Å; L387-S391 PolarHBondContact O-N 2.79Å; Q388-S391 WeakPolarHBondContact CA-O 3.29Å; Q388-S391 CarbonylContact O-C 3.59Å; S391-K393 PolarHBondContact O-N 3.11Å; S391-K393 VanDerWaalsContact O-N 3.1Å; S391-L394 WeakPolarHBondContact O-CB 3.27Å; S391-L394 PolarHBondContact O-N 2.87Å
392	T	94.4	Very high	96.9	Very high	109 Å²	109	41.8 Å²	41.8	67%	0.669	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.1	-172.3	55.4	0	0	0	0	114.4	Q388 C395	Q388-T392 PolarHBondContact NE2-O 3.22Å; T392-C395 PolarHBondContact O-SG 2.87Å
393	K	95.1	Very high	96.8	Very high	128 Å²	128	41 Å²	41	56%	0.557	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-24	176.8	-63.9	171.9	-175	165.3	0	112.6	P353 T354 S391 C395	P353-K393 WeakPolarHBondContact O-CB 3.08Å; T354-K393 WeakPolarHBondContact CA-O 3.4Å; S391-K393 PolarHBondContact O-N 3.11Å; S391-K393 VanDerWaalsContact O-N 3.1Å; K393-C395 VanDerWaalsContact C-N 3.31Å; K393-C395 PolarHBondContact O-N 3.05Å
394	L	97.1	Very high	96.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.193	C	C	.	.			trans	-82.7	70.3	-171.7	-152.7	169.9	0	0	0	111.6	P326 Y330 I351 T354 V356 T384 L387 Q388 S391	P326-L394 HydrophobicContact CG-CD1 4.39Å; Y330-L394 HydrophobicContact CE1-CD1 4.37Å; I351-L394 HydrophobicContact CG2-CD1 3.89Å; T354-L394 CarbonylContact O-C 3.56Å; T354-L394 WeakPolarHBondContact O-CA 3.32Å; V356-L394 HydrophobicContact CG2-CD2 4.11Å; T384-L394 HydrophobicContact CG2-CD2 3.7Å; L387-L394 HydrophobicContact CB-CD1 4Å; L387-L394 HydrophobicContact CB-CD2 4.4Å; L387-L394 HydrophobicContact CD1-CD1 3.92Å; Q388-L394 VanDerWaalsContact CB-O 3.27Å; Q388-L394 WeakPolarHBondContact CB-O 3.41Å; Q388-L394 WeakPolarHBondContact CG-O 3.2Å; S391-L394 WeakPolarHBondContact O-CB 3.27Å; S391-L394 PolarHBondContact O-N 2.87Å
395	C	97.1	Very high	96.3	Very high	30 Å²	30	43.5 Å²	43.5	20%	0.203	21%	0.213	C	C	.	.			trans	-101.6	-13.1	-171.1	-71.6	0	0	0	0	114.8	A82 T354 T392 K393	A82-C395 WeakPolarHBondContact CB-O 3.45Å; A82-C395 PolarHBondContact N-O 3.2Å; T354-C395 PolarHBondContact O-N 2.9Å; T354-C395 VanDerWaalsContact O-N 3.13Å; T392-C395 PolarHBondContact O-SG 2.87Å; K393-C395 VanDerWaalsContact C-N 3.31Å; K393-C395 PolarHBondContact O-N 3.05Å
396	Y	98.5	Very high	96	Very high	55 Å²	55	42.3 Å²	42.3	22%	0.216	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.6	-168.3	-59.4	-74.1	0	0	0	113.5	R79 C80 H81 T354 C355 V356 T384 Y398	R79-Y396 HydrophobicContact CG-CD1 4.2Å; C80-Y396 WeakPolarHBondContact O-CA 3.43Å; H81-Y396 AromaticContact CE1-CE1 3.7Å; H81-Y396 AromaticContact ND1-CE1 3.7Å; T354-Y396 PolarHBondContact O-N 2.82Å; T354-Y396 VanDerWaalsContact O-N 3.15Å; C355-Y396 WeakPolarHBondContact CA-O 3.28Å; C355-Y396 WeakPolarHBondContact CB-O 3.15Å; V356-Y396 PolarHBondContact N-O 2.81Å; V356-Y396 VanDerWaalsContact N-O 3.1Å; T384-Y396 VanDerWaalsContact CG2-O 3.31Å; T384-Y396 WeakPolarHBondContact CG2-O 3.21Å; Y396-Y398 HydrophobicContact CG-CE1 4.28Å
397	Y	98.6	Very high	95.6	Very high	4 Å²	4	41 Å²	41	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	117.7	168.9	170.7	-120.8	0	0	0	109.5	R79 C80 V356 S358 A377 E380 I381 L399	R79-Y397 CarbonylContact C-O 3.49Å; R79-Y397 WeakPolarHBondContact CA-O 3.37Å; C80-Y397 HydrophobicContact CB-CD1 4.42Å; C80-Y397 PolarHBondContact N-O 3.08Å; C80-Y397 PolarHBondContact O-N 2.81Å; V356-Y397 HydrophobicContact CB-CD2 4.35Å; V356-Y397 CarbonylContact O-C 3.53Å; V356-Y397 WeakPolarHBondContact O-CA 3.43Å; V356-Y397 WeakPolarHBondContact O-CD2 2.93Å; S358-Y397 WeakPolarHBondContact CB-OH 3.27Å; S358-Y397 PolarHBondContact OG-OH 2.99Å; A377-Y397 WeakPolarHBondContact CA-OH 3.1Å; A377-Y397 HydrophobicContact CB-CE1 3.98Å; E380-Y397 HydrophobicContact CB-CD2 3.98Å; E380-Y397 HydrophobicContact CB-CE1 4.47Å; E380-Y397 HydrophobicContact CB-CE2 3.42Å; E380-Y397 VanDerWaalsContact CB-CE2 3.42Å; E380-Y397 HydrophobicContact CG-CE2 4.25Å; E380-Y397 WeakPolarHBondContact OE2-CE2 3.48Å; E380-Y397 PolarHBondContact OE2-OH 2.88Å; E380-Y397 VanDerWaalsContact OE2-OH 3.13Å; I381-Y397 HydrophobicContact CD1-CD1 3.87Å; I381-Y397 HydrophobicContact CD1-CE1 4.3Å; I381-Y397 HydrophobicContact CG1-CD1 3.3Å; I381-Y397 HydrophobicContact CG1-CE1 3.95Å; I381-Y397 HydrophobicContact CG1-CG 3.83Å; Y397-L399 HydrophobicContact CD1-CD1 3.97Å; Y397-L399 HydrophobicContact CD1-CD2 4.39Å; Y397-L399 HydrophobicContact CD1-CG 3.87Å; Y397-L399 HydrophobicContact CE1-CD1 4.11Å; Y397-L399 HydrophobicContact CE1-CD2 3.81Å; Y397-L399 HydrophobicContact CE1-CG 3.48Å; Y397-L399 VanDerWaalsContact CE1-CG 3.48Å
398	Y	98.6	Very high	95.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	118.9	-176.1	-79.2	49.5	0	0	0	109.3	I52 D53 T77 R79 C355 V356 S358 Y396 G400 W428	I52-Y398 HydrophobicContact CD1-CD2 3.72Å; I52-Y398 HydrophobicContact CD1-CE2 3.68Å; I52-Y398 HydrophobicContact CD1-CG 4.45Å; I52-Y398 HydrophobicContact CG1-CD2 4.42Å; I52-Y398 HydrophobicContact CG1-CE2 4.06Å; D53-Y398 WeakPolarHBondContact OD1-CE2 3.31Å; D53-Y398 VanDerWaalsContact OD1-CZ 3.24Å; D53-Y398 PolarHBondContact OD1-OH 3.06Å; T77-Y398 HydrophobicContact CG2-CD2 4.21Å; T77-Y398 HydrophobicContact CG2-CE2 4.24Å; R79-Y398 HydrophobicContact CB-CD1 3.61Å; R79-Y398 HydrophobicContact CB-CE1 3.63Å; R79-Y398 HydrophobicContact CB-CG 4.08Å; R79-Y398 HydrophobicContact CG-CE1 4.43Å; C355-Y398 HydrophobicContact CB-CD1 3.39Å; C355-Y398 HydrophobicContact CB-CE1 3.5Å; C355-Y398 VanDerWaalsContact CB-CE1 3.5Å; C355-Y398 HydrophobicContact CB-CG 4.3Å; V356-Y398 PolarHBondContact O-N 3.34Å; S358-Y398 PolarHBondContact N-O 3.04Å; Y396-Y398 HydrophobicContact CG-CE1 4.28Å; Y398-G400 PolarHBondContact O-N 3.28Å; Y398-W428 HydrophobicContact CD2-CH2 4.38Å; Y398-W428 AromaticContact CE2-CH2 3.6Å; Y398-W428 HydrophobicContact CE2-CH2 3.6Å; Y398-W428 AromaticContact CE2-CZ2 3.84Å; Y398-W428 HydrophobicContact CE2-CZ2 3.84Å; Y398-W428 AromaticContact CZ-CH2 3.76Å; Y398-W428 AromaticContact CZ-CZ2 3.76Å; Y398-W428 VanDerWaalsContact OH-CZ2 3.27Å; Y398-W428 WeakPolarHBondContact OH-CZ2 3.4Å
399	L	96.4	Very high	94.8	Very high	6 Å²	6	42 Å²	42	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	23.2	-175.9	-56.6	91.4	0	0	0	112.3	I78 C80 Y397 F401 K412 Y415	I78-L399 HydrophobicContact CG2-CB 4.03Å; I78-L399 PolarHBondContact O-N 2.89Å; I78-L399 VanDerWaalsContact O-N 3.14Å; C80-L399 HydrophobicContact CB-CD1 3.89Å; Y397-L399 HydrophobicContact CD1-CD1 3.97Å; Y397-L399 HydrophobicContact CD1-CD2 4.39Å; Y397-L399 HydrophobicContact CD1-CG 3.87Å; Y397-L399 HydrophobicContact CE1-CD1 4.11Å; Y397-L399 HydrophobicContact CE1-CD2 3.81Å; Y397-L399 HydrophobicContact CE1-CG 3.48Å; Y397-L399 VanDerWaalsContact CE1-CG 3.48Å; L399-F401 PolarHBondContact O-N 3.3Å; L399-K412 HydrophobicContact CB-CB 4.4Å; L399-K412 HydrophobicContact CB-CD 3.95Å; L399-K412 HydrophobicContact CB-CG 4.23Å; L399-K412 HydrophobicContact CD2-CB 4.23Å; L399-K412 HydrophobicContact CD2-CG 4.23Å; L399-K412 WeakPolarHBondContact O-CD 3.34Å; L399-K412 WeakPolarHBondContact O-CE 3.48Å; L399-K412 PolarHBondContact O-NZ 3.44Å; L399-Y415 HydrophobicContact CD2-CD1 4.38Å; L399-Y415 HydrophobicContact CD2-CD2 3.54Å; L399-Y415 HydrophobicContact CD2-CE2 3.89Å; L399-Y415 HydrophobicContact CD2-CG 3.81Å
400	G	95.3	Very high	94.6	Very high	11 Å²	11	38.4 Å²	38.4	11%	0.113	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.5	-122.5	-169.7	0	0	0	0	0	111.9	R57 I78 Y398	R57-G400 PolarHBondContact NH2-O 3.37Å; I78-G400 PolarHBondContact N-O 2.97Å; Y398-G400 PolarHBondContact O-N 3.28Å
401	F	95.7	Very high	94.5	Very high	12 Å²	12	36.4 Å²	36.4	5%	0.053	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	147.6	179.4	-65.3	-56.6	0	0	0	113.6	R57 Y64 P66 Q75 Y76 L399 M409 K412	R57-F401 HydrophobicContact CB-CE2 4.23Å; R57-F401 HydrophobicContact CB-CZ 4.08Å; R57-F401 HydrophobicContact CG-CD2 4.36Å; R57-F401 HydrophobicContact CG-CE1 3.85Å; R57-F401 HydrophobicContact CG-CE2 3.53Å; R57-F401 HydrophobicContact CG-CZ 3.24Å; Y64-F401 HydrophobicContact CE2-CE2 4.11Å; Y64-F401 HydrophobicContact CE2-CZ 4.49Å; P66-F401 HydrophobicContact CG-CE1 4.47Å; P66-F401 HydrophobicContact CG-CE2 4.22Å; P66-F401 HydrophobicContact CG-CZ 3.79Å; Q75-F401 HydrophobicContact CB-CB 4.12Å; Q75-F401 HydrophobicContact CB-CD1 3.8Å; Q75-F401 HydrophobicContact CB-CD2 4.01Å; Q75-F401 HydrophobicContact CB-CE1 4.1Å; Q75-F401 HydrophobicContact CB-CE2 4.29Å; Q75-F401 HydrophobicContact CB-CG 3.75Å; Q75-F401 HydrophobicContact CB-CZ 4.32Å; Q75-F401 VanDerWaalsContact O-CD1 3.25Å; Q75-F401 WeakPolarHBondContact O-CD1 3.37Å; Q75-F401 WeakPolarHBondContact O-CE1 3.5Å; Y76-F401 CarbonylContact O-C 3.43Å; Y76-F401 WeakPolarHBondContact O-CA 3.44Å; L399-F401 PolarHBondContact O-N 3.3Å; F401-M409 HydrophobicContact CB-CE 4.35Å; F401-M409 VanDerWaalsContact O-CE 3.26Å; F401-M409 WeakPolarHBondContact O-CE 3.34Å; F401-K412 WeakPolarHBondContact O-CD 3.42Å; F401-K412 PolarHBondContact O-NZ 3.35Å
402	Y	96.9	Very high	94.5	Very high	3 Å²	3	37 Å²	37	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127	164	172.8	-93.8	0	0	0	109.2	Y76 I78 H404 R410 K412 L420 L438	Y76-Y402 PolarHBondContact N-O 3.1Å; Y76-Y402 PolarHBondContact O-N 3.36Å; I78-Y402 HydrophobicContact CD1-CD2 4.22Å; I78-Y402 HydrophobicContact CD1-CG 4.41Å; Y402-H404 HydrophobicContact CE1-CB 3.84Å; Y402-H404 AromaticContact CZ-ND1 3.91Å; Y402-H404 PolarHBondContact OH-ND1 2.86Å; Y402-R410 HydrophobicContact CE2-CG 4.25Å; Y402-R410 WeakPolarHBondContact CE2-O 3.08Å; Y402-K412 HydrophobicContact CD2-CB 4.46Å; Y402-L420 HydrophobicContact CD1-CD1 3.76Å; Y402-L420 HydrophobicContact CD1-CD2 3.92Å; Y402-L420 HydrophobicContact CE1-CD1 3.96Å; Y402-L420 HydrophobicContact CG-CD2 3.96Å; Y402-L438 HydrophobicContact CE1-CD1 3.96Å
403	V	95.9	Very high	94.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.			trans	-122.8	106.1	178.8	179.2	0	0	0	0	107.7	Y25 C73 Q75 S405 C406 M409	Y25-V403 HydrophobicContact CD2-CG2 4.32Å; Y25-V403 HydrophobicContact CE1-CG2 4.26Å; Y25-V403 HydrophobicContact CE2-CG2 3.99Å; C73-V403 HydrophobicContact CB-CG1 3.75Å; Q75-V403 HydrophobicContact CB-CG2 4.48Å; Q75-V403 HydrophobicContact CG-CG2 4.12Å; V403-S405 VanDerWaalsContact C-N 3.29Å; V403-S405 PolarHBondContact O-N 3.15Å; V403-C406 HydrophobicContact CB-CB 3.98Å; V403-C406 HydrophobicContact CG1-CB 3.68Å; V403-C406 PolarHBondContact O-N 3.21Å; V403-C406 VanDerWaalsContact O-N 3.13Å; V403-M409 HydrophobicContact CB-CB 3.84Å; V403-M409 HydrophobicContact CB-CG 4.22Å; V403-M409 HydrophobicContact CG2-CB 4.31Å; V403-M409 HydrophobicContact CG2-CE 4.5Å; V403-M409 HydrophobicContact CG2-CG 4.34Å
404	H	95.3	Very high	94.4	Very high	20 Å²	20	30.9 Å²	30.9	9%	0.093	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-36	-171.2	-172.5	87.7	0	0	0	113.6	Y402 C406 R410 L438 N439	Y402-H404 HydrophobicContact CE1-CB 3.84Å; Y402-H404 AromaticContact CZ-ND1 3.91Å; Y402-H404 PolarHBondContact OH-ND1 2.86Å; H404-C406 VanDerWaalsContact C-N 3.32Å; H404-C406 PolarHBondContact O-N 2.94Å; H404-R410 PolarHBondContact CD2-NH1 2.87Å; H404-R410 PolarHBondContact CE1-NH1 2.84Å; H404-R410 PolarHBondContact CE1-NH2 3.38Å; H404-R410 PolarHBondContact NE2-NH1 2.95Å; H404-R410 PolarHBondContact NE2-NH2 3.26Å; H404-R410 PolarHBondContact O-NH1 3.32Å; H404-L438 HydrophobicContact CB-CB 4.04Å; H404-L438 HydrophobicContact CB-CD1 4.31Å; H404-L438 PolarHBondContact CD2-O 3.1Å; H404-L438 PolarHBondContact NE2-O 3.08Å; H404-N439 PolarHBondContact CE1-OD1 3.17Å; H404-N439 VanDerWaalsContact CE1-OD1 3.22Å; H404-N439 PolarHBondContact NE2-OD1 2.55Å; H404-N439 VanDerWaalsContact NE2-OD1 3.1Å
405	S	91.9	Very high	94.4	Very high	60 Å²	60	31 Å²	31	42%	0.42	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-6	179.8	54.9	0	0	0	0	114.4	V403	V403-S405 VanDerWaalsContact C-N 3.29Å; V403-S405 PolarHBondContact O-N 3.15Å
406	C	92.4	Very high	94.3	Very high	10 Å²	10	35.1 Å²	35.1	7%	0.068	17%	0.172	C	C	.	.			trans	-111.3	110.3	-179.5	-176.7	0	0	0	0	110.4	Y25 V403 H404 K408 M409 R410	Y25-C406 HydrophobicContact CD1-CB 4.47Å; V403-C406 HydrophobicContact CB-CB 3.98Å; V403-C406 HydrophobicContact CG1-CB 3.68Å; V403-C406 PolarHBondContact O-N 3.21Å; V403-C406 VanDerWaalsContact O-N 3.13Å; H404-C406 VanDerWaalsContact C-N 3.32Å; H404-C406 PolarHBondContact O-N 2.94Å; C406-K408 VanDerWaalsContact C-N 3.27Å; C406-K408 PolarHBondContact O-N 2.99Å; C406-M409 HydrophobicContact CB-CB 4.13Å; C406-M409 HydrophobicContact CB-CG 4.11Å; C406-M409 PolarHBondContact O-N 3.34Å; C406-R410 PolarHBondContact O-N 3.4Å
407	P	88.1	Confident	94.2	Very high	110 Å²	110	34.9 Å²	34.9	71%	0.714	18%	0.177	S	C	*	.	H	α-helix	trans	-53.4	-40.9	179.6	-29	36.3	0	0	0	113.7	M409 R410	P407-M409 PolarHBondContact O-N 2.78Å; P407-M409 VanDerWaalsContact O-N 3.14Å; P407-R410 PolarHBondContact O-N 2.87Å
408	K	86	Confident	94.2	Very high	49 Å²	49	34.8 Å²	34.8	21%	0.213	18%	0.177	C	C	.	.	H	α-helix	trans	-58.8	-23.6	176.2	-58.7	-166.4	-177.2	-156.9	0	113.9	E115 P116 D118 C406 Y411	E115-K408 WeakPolarHBondContact OE2-CE 3.18Å; E115-K408 IonicContact OE2-NZ 2.82Å; E115-K408 PolarHBondContact OE2-NZ 3.34Å; P116-K408 PolarHBondContact O-NZ 2.9Å; D118-K408 IonicContact OD2-NZ 2.66Å; D118-K408 PolarHBondContact OD2-NZ 3.03Å; C406-K408 VanDerWaalsContact C-N 3.27Å; C406-K408 PolarHBondContact O-N 2.99Å; K408-Y411 WeakPolarHBondContact O-CD1 3.47Å; K408-Y411 WeakPolarHBondContact O-CE1 3.5Å
409	M	91.6	Very high	94.2	Very high	13 Å²	13	35.6 Å²	35.6	6%	0.064	18%	0.181	C	C	.	.	H	α-helix	trans	-106.9	-22.1	-178.4	-60.1	-64	-81.3	0	0	112.7	Y25 F401 V403 C406 P407 Y411 K412	Y25-M409 HydrophobicContact CD1-CG 3.92Å; Y25-M409 HydrophobicContact CE1-CE 3.82Å; Y25-M409 HydrophobicContact CE1-CG 3.75Å; Y25-M409 HydrophobicContact CE1-SD 4.02Å; F401-M409 HydrophobicContact CB-CE 4.35Å; F401-M409 VanDerWaalsContact O-CE 3.26Å; F401-M409 WeakPolarHBondContact O-CE 3.34Å; V403-M409 HydrophobicContact CB-CB 3.84Å; V403-M409 HydrophobicContact CB-CG 4.22Å; V403-M409 HydrophobicContact CG2-CB 4.31Å; V403-M409 HydrophobicContact CG2-CE 4.5Å; V403-M409 HydrophobicContact CG2-CG 4.34Å; C406-M409 HydrophobicContact CB-CB 4.13Å; C406-M409 HydrophobicContact CB-CG 4.11Å; C406-M409 PolarHBondContact O-N 3.34Å; P407-M409 PolarHBondContact O-N 2.78Å; P407-M409 VanDerWaalsContact O-N 3.14Å; M409-Y411 VanDerWaalsContact C-N 3.26Å; M409-Y411 PolarHBondContact O-N 2.75Å; M409-K412 PolarHBondContact O-N 2.82Å
410	R	92.1	Very high	94.3	Very high	103 Å²	103	35.3 Å²	35.3	39%	0.389	18%	0.18	S	C	.	.	H	α-helix	trans	-65.6	-23.9	-177.6	-168.4	175.6	179.8	134.9	0.5	113.2	Y402 H404 C406 P407 K412 G413 N439	Y402-R410 HydrophobicContact CE2-CG 4.25Å; Y402-R410 WeakPolarHBondContact CE2-O 3.08Å; H404-R410 PolarHBondContact CD2-NH1 2.87Å; H404-R410 PolarHBondContact CE1-NH1 2.84Å; H404-R410 PolarHBondContact CE1-NH2 3.38Å; H404-R410 PolarHBondContact NE2-NH1 2.95Å; H404-R410 PolarHBondContact NE2-NH2 3.26Å; H404-R410 PolarHBondContact O-NH1 3.32Å; C406-R410 PolarHBondContact O-N 3.4Å; P407-R410 PolarHBondContact O-N 2.87Å; R410-K412 PolarHBondContact O-N 2.69Å; R410-G413 PolarHBondContact O-N 3.21Å; R410-N439 PolarHBondContact NH2-OD1 2.75Å
411	Y	91.6	Very high	94.4	Very high	39 Å²	39	35.1 Å²	35.1	15%	0.153	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-60.6	-26.8	177.8	84.3	-75.2	0	0	0	113.4	M117 K408 M409 G413 Q414 Y415	M117-Y411 HydrophobicContact CE-CE1 4.05Å; M117-Y411 VanDerWaalsContact CE-OH 3.26Å; M117-Y411 WeakPolarHBondContact CE-OH 3.23Å; M117-Y411 HydrophobicContact SD-CD1 4.47Å; M117-Y411 HydrophobicContact SD-CE1 3.48Å; M117-Y411 WeakPolarHBondContact SD-CE1 3.29Å; K408-Y411 WeakPolarHBondContact O-CD1 3.47Å; K408-Y411 WeakPolarHBondContact O-CE1 3.5Å; M409-Y411 VanDerWaalsContact C-N 3.26Å; M409-Y411 PolarHBondContact O-N 2.75Å; Y411-G413 PolarHBondContact O-N 3.08Å; Y411-Q414 WeakPolarHBondContact O-CB 3.49Å; Y411-Q414 VanDerWaalsContact O-CG 3.26Å; Y411-Q414 WeakPolarHBondContact O-CG 3.34Å; Y411-Q414 PolarHBondContact O-N 2.73Å; Y411-Y415 AromaticContact CD2-CE2 3.77Å; Y411-Y415 HydrophobicContact CD2-CE2 3.77Å; Y411-Y415 AromaticContact CE2-CE2 3.69Å; Y411-Y415 HydrophobicContact CE2-CE2 3.69Å
412	K	95.1	Very high	94.5	Very high	16 Å²	16	34.5 Å²	34.5	7%	0.07	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-61.5	-27.1	-178.9	-62.8	176	-178.9	-174.4	0	113.1	I78 L399 F401 Y402 M409 R410 Q414 Y415	I78-K412 HydrophobicContact CD1-CB 4.05Å; I78-K412 WeakPolarHBondContact CD1-O 3.48Å; I78-K412 HydrophobicContact CG2-CB 4.34Å; I78-K412 HydrophobicContact CG2-CD 4.39Å; L399-K412 HydrophobicContact CB-CB 4.4Å; L399-K412 HydrophobicContact CB-CD 3.95Å; L399-K412 HydrophobicContact CB-CG 4.23Å; L399-K412 HydrophobicContact CD2-CB 4.23Å; L399-K412 HydrophobicContact CD2-CG 4.23Å; L399-K412 WeakPolarHBondContact O-CD 3.34Å; L399-K412 WeakPolarHBondContact O-CE 3.48Å; L399-K412 PolarHBondContact O-NZ 3.44Å; F401-K412 WeakPolarHBondContact O-CD 3.42Å; F401-K412 PolarHBondContact O-NZ 3.35Å; Y402-K412 HydrophobicContact CD2-CB 4.46Å; M409-K412 PolarHBondContact O-N 2.82Å; R410-K412 PolarHBondContact O-N 2.69Å; K412-Q414 PolarHBondContact O-N 2.86Å; K412-Q414 VanDerWaalsContact O-N 3.13Å; K412-Y415 WeakPolarHBondContact O-CD2 3.36Å; K412-Y415 PolarHBondContact O-N 2.78Å
413	G	94.6	Very high	94.4	Very high	6 Å²	6	35.6 Å²	35.6	6%	0.062	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-68.3	-2	172.2	0	0	0	0	0	115	R410 Y411 R416	R410-G413 PolarHBondContact O-N 3.21Å; Y411-G413 PolarHBondContact O-N 3.08Å; G413-R416 PolarHBondContact O-NE 2.65Å
414	Q	94.3	Very high	94.3	Very high	102 Å²	102	38.7 Å²	38.7	48%	0.477	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-89.5	-10.8	176	-57	178	20.3	0	0	113.1	Y411 K412 R416	Y411-Q414 WeakPolarHBondContact O-CB 3.49Å; Y411-Q414 VanDerWaalsContact O-CG 3.26Å; Y411-Q414 WeakPolarHBondContact O-CG 3.34Å; Y411-Q414 PolarHBondContact O-N 2.73Å; K412-Q414 PolarHBondContact O-N 2.86Å; K412-Q414 VanDerWaalsContact O-N 3.13Å; Q414-R416 VanDerWaalsContact C-N 3.27Å; Q414-R416 PolarHBondContact O-N 2.92Å
415	Y	96.1	Very high	94.3	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	19%	0.191	C	C	.	.	S	Bend	trans	-82.8	68.8	-179.8	-68.6	-95.2	0	0	0	111.4	C80 F85 S374 A377 L378 I381 L399 Y411 K412 A418	C80-Y415 PolarHBondContact SG-O 3.19Å; F85-Y415 AromaticContact CE2-CD1 3.8Å; F85-Y415 HydrophobicContact CE2-CD1 3.8Å; F85-Y415 HydrophobicContact CE2-CG 4.39Å; F85-Y415 HydrophobicContact CZ-CD1 4.11Å; S374-Y415 WeakPolarHBondContact CA-OH 3.47Å; S374-Y415 PolarHBondContact O-OH 2.84Å; A377-Y415 HydrophobicContact CB-CE1 3.84Å; L378-Y415 HydrophobicContact CD2-CE1 4.07Å; L378-Y415 HydrophobicContact CG-CE1 4.34Å; I381-Y415 HydrophobicContact CD1-CD1 3.56Å; I381-Y415 HydrophobicContact CD1-CE1 4.18Å; L399-Y415 HydrophobicContact CD2-CD1 4.38Å; L399-Y415 HydrophobicContact CD2-CD2 3.54Å; L399-Y415 HydrophobicContact CD2-CE2 3.89Å; L399-Y415 HydrophobicContact CD2-CG 3.81Å; Y411-Y415 AromaticContact CD2-CE2 3.77Å; Y411-Y415 HydrophobicContact CD2-CE2 3.77Å; Y411-Y415 AromaticContact CE2-CE2 3.69Å; Y411-Y415 HydrophobicContact CE2-CE2 3.69Å; K412-Y415 WeakPolarHBondContact O-CD2 3.36Å; K412-Y415 PolarHBondContact O-N 2.78Å; Y415-A418 WeakPolarHBondContact O-CB 3.4Å
416	R	94.8	Very high	94.5	Very high	117 Å²	117	37 Å²	37	44%	0.442	18%	0.18	S	C	.	.	S	Bend	trans	-88.9	147.8	-168.8	-70	171	174	-179.6	-13.7	113.7	F85 G413 Q414 E432	F85-R416 WeakPolarHBondContact CA-O 3.39Å; F85-R416 WeakPolarHBondContact CD2-O 3.04Å; G413-R416 PolarHBondContact O-NE 2.65Å; Q414-R416 VanDerWaalsContact C-N 3.27Å; Q414-R416 PolarHBondContact O-N 2.92Å; R416-E432 WeakPolarHBondContact CD-OE1 3.47Å; R416-E432 IonicContact CZ-OE1 3.57Å; R416-E432 IonicContact NE-OE1 2.98Å; R416-E432 PolarHBondContact NE-OE1 3.29Å; R416-E432 IonicContact NH2-OE1 3.23Å; R416-E432 PolarHBondContact NH2-OE1 3.28Å
417	P	97.6	Very high	94.7	Very high	51 Å²	51	39.1 Å²	39.1	33%	0.331	19%	0.192	S	C	.	.	S	Bend	cis	-75.3	142.5	-3	20.8	-16.1	0	0	0	112.2	H81 N84	H81-P417 HydrophobicContact CB-CG 4.05Å; H81-P417 PolarHBondContact CD2-O 3.37Å; H81-P417 PolarHBondContact N-O 2.92Å; N84-P417 HydrophobicContact CB-CG 3.63Å; N84-P417 WeakPolarHBondContact O-CD 3.37Å
418	A	97.5	Very high	95.2	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	150.5	-176.3	0	0	0	0	0	111.7	I78 R79 Y415 V431	I78-A418 HydrophobicContact CD1-CB 4.49Å; R79-A418 CarbonylContact O-C 3.51Å; R79-A418 WeakPolarHBondContact O-CA 3.47Å; R79-A418 VanDerWaalsContact O-CB 3.23Å; R79-A418 WeakPolarHBondContact O-CB 3.19Å; Y415-A418 WeakPolarHBondContact O-CB 3.4Å; A418-V431 HydrophobicContact CB-CG2 3.81Å; A418-V431 WeakPolarHBondContact O-CG2 3.46Å; A418-V431 PolarHBondContact O-N 2.7Å
419	D	98.5	Very high	95.8	Very high	17 Å²	17	34.9 Å²	34.9	9%	0.091	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	146.9	179	-47.8	-32.8	0	0	0	110.2	I78 R79 H81 W428 V429	I78-D419 WeakPolarHBondContact CA-O 3.29Å; R79-D419 HydrophobicContact CG-CB 4.14Å; R79-D419 IonicContact CZ-OD2 3.81Å; R79-D419 VanDerWaalsContact CZ-OD2 3.29Å; R79-D419 PolarHBondContact N-O 3.03Å; R79-D419 IonicContact NE-OD2 3.93Å; R79-D419 PolarHBondContact NE-OD2 3.01Å; R79-D419 IonicContact NH2-OD2 3.32Å; R79-D419 PolarHBondContact NH2-OD2 2.9Å; R79-D419 PolarHBondContact O-N 2.89Å; H81-D419 IonicContact CD2-OD1 3.08Å; H81-D419 IonicContact CD2-OD2 2.79Å; H81-D419 IonicContact CE1-OD2 3.03Å; H81-D419 VanDerWaalsContact NE2-CG 3.31Å; H81-D419 IonicContact NE2-OD1 3.8Å; H81-D419 PolarHBondContact NE2-OD1 3.15Å; H81-D419 IonicContact NE2-OD2 2.69Å; H81-D419 PolarHBondContact NE2-OD2 2.84Å; D419-W428 HydrophobicContact CB-CB 4Å; D419-W428 HydrophobicContact CB-CD2 4.43Å; D419-W428 HydrophobicContact CB-CE3 3.73Å; D419-V429 CarbonylContact C-O 3.55Å; D419-V429 VanDerWaalsContact CA-O 3.28Å; D419-V429 WeakPolarHBondContact CA-O 3.4Å
420	L	98.5	Very high	96.1	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	145.1	161.6	-59.9	-171.7	0	0	0	109.9	Y76 T77 I78 Y402 V429 V431 C434 L438 L446	Y76-L420 HydrophobicContact CG-CD1 4.49Å; T77-L420 WeakPolarHBondContact O-CA 3.41Å; I78-L420 HydrophobicContact CB-CD2 3.66Å; I78-L420 HydrophobicContact CD1-CD2 3.88Å; I78-L420 HydrophobicContact CG1-CD2 3.84Å; Y402-L420 HydrophobicContact CD1-CD1 3.76Å; Y402-L420 HydrophobicContact CD1-CD2 3.92Å; Y402-L420 HydrophobicContact CE1-CD1 3.96Å; Y402-L420 HydrophobicContact CG-CD2 3.96Å; L420-V429 PolarHBondContact N-O 2.89Å; L420-V429 PolarHBondContact O-N 2.78Å; L420-V431 HydrophobicContact CD2-CG2 3.96Å; L420-V431 HydrophobicContact CG-CG2 3.89Å; L420-C434 HydrophobicContact CD1-CB 3.74Å; L420-C434 HydrophobicContact CG-CB 4.35Å; L420-L438 HydrophobicContact CD1-CD1 3.71Å; L420-L446 HydrophobicContact CB-CD1 3.57Å; L420-L446 HydrophobicContact CD1-CD1 4.18Å
421	L	98.1	Very high	96.3	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.031	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	126.3	172.8	-172.8	69.7	0	0	0	110.6	D53 T77 Y426 W428	D53-L421 VanDerWaalsContact O-CD1 3.29Å; D53-L421 WeakPolarHBondContact O-CD1 3.36Å; D53-L421 VanDerWaalsContact O-CD2 3.22Å; D53-L421 WeakPolarHBondContact O-CD2 3.43Å; T77-L421 HydrophobicContact CG2-CB 4.16Å; T77-L421 HydrophobicContact CG2-CD2 4.43Å; T77-L421 PolarHBondContact O-N 3.47Å; L421-Y426 VanDerWaalsContact CD1-O 3.29Å; L421-Y426 WeakPolarHBondContact CD1-O 3.36Å; L421-Y426 HydrophobicContact CD2-CD1 4.4Å; L421-W428 HydrophobicContact CB-CE3 4.16Å; L421-W428 HydrophobicContact CB-CH2 4.35Å; L421-W428 HydrophobicContact CB-CZ3 4.02Å; L421-W428 HydrophobicContact CD1-CD2 4.02Å; L421-W428 HydrophobicContact CD1-CE3 4.38Å; L421-W428 HydrophobicContact CD1-CZ2 4.07Å
422	C	97.4	Very high	96.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-64.5	125.2	171.3	-175.9	0	0	0	0	110.1	E424 S425 Y426 T427 L446 N447	C422-E424 PolarHBondContact O-N 3.3Å; C422-S425 WeakPolarHBondContact CB-OG 3.37Å; C422-S425 PolarHBondContact SG-OG 3.02Å; C422-Y426 WeakPolarHBondContact O-CA 3.17Å; C422-Y426 PolarHBondContact O-N 3.39Å; C422-Y426 VanDerWaalsContact O-N 3.08Å; C422-T427 VanDerWaalsContact CB-O 3.32Å; C422-T427 WeakPolarHBondContact CB-O 3.46Å; C422-T427 PolarHBondContact N-O 2.91Å; C422-L446 HydrophobicContact CB-CB 4.12Å; C422-L446 PolarHBondContact SG-N 3.38Å; C422-N447 HydrophobicContact CB-CB 4.32Å; C422-N447 PolarHBondContact SG-N 3.35Å; C422-N447 VanDerWaalsContact SG-N 3.41Å
423	P	94.4	Very high	96.6	Very high	26 Å²	26	36.9 Å²	36.9	17%	0.169	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-5.7	-174.1	30.3	-37.3	0	0	0	114.7	M68 Y76 Y443	M68-P423 HydrophobicContact CB-CB 4.29Å; M68-P423 HydrophobicContact CE-CB 4.44Å; M68-P423 HydrophobicContact CG-CB 4.06Å; Y76-P423 HydrophobicContact CE1-CG 4.02Å; P423-Y443 HydrophobicContact CB-CE2 4.15Å; P423-Y443 HydrophobicContact CG-CE2 3.65Å
424	E	94.1	Very high	96.8	Very high	64 Å²	64	36.6 Å²	36.6	30%	0.299	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-44.1	-177.7	-57.3	-168.5	157	0	0	112.9	K69 C422 Y443 R445	K69-E424 WeakPolarHBondContact CE-OE1 3.27Å; K69-E424 IonicContact NZ-OE1 3.37Å; K69-E424 PolarHBondContact NZ-OE1 3.08Å; C422-E424 PolarHBondContact O-N 3.3Å; E424-Y443 VanDerWaalsContact CG-OH 3.23Å; E424-Y443 WeakPolarHBondContact CG-OH 3.5Å; E424-Y443 PolarHBondContact OE1-OH 3.36Å; E424-R445 HydrophobicContact CB-CG 4.45Å; E424-R445 HydrophobicContact CG-CG 4.39Å; E424-R445 WeakPolarHBondContact OE2-CD 3.48Å; E424-R445 WeakPolarHBondContact OE2-CG 3.28Å; E424-R445 IonicContact OE2-NE 3.66Å; E424-R445 PolarHBondContact OE2-NE 2.92Å
425	S	96	Very high	96.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-6.3	-179.9	59.7	0	0	0	0	114.3	C422 T427 N447 A452 G453	C422-S425 WeakPolarHBondContact CB-OG 3.37Å; C422-S425 PolarHBondContact SG-OG 3.02Å; S425-T427 PolarHBondContact O-N 3.04Å; S425-T427 PolarHBondContact OG-OG1 3.13Å; S425-N447 WeakPolarHBondContact OG-CB 3.43Å; S425-N447 PolarHBondContact OG-ND2 3.38Å; S425-A452 WeakPolarHBondContact CB-O 3.39Å; S425-G453 WeakPolarHBondContact CA-O 3.04Å; S425-G453 WeakPolarHBondContact CB-O 3.42Å
426	Y	96.4	Very high	96.9	Very high	45 Å²	45	37 Å²	37	18%	0.176	19%	0.186	C	C	.	.			trans	52.2	24.8	-174.2	-49.6	-70.2	0	0	0	114.6	R54 K65 L421 C422 D454	R54-Y426 HydrophobicContact CB-CD1 4.09Å; R54-Y426 HydrophobicContact CB-CE1 4.15Å; R54-Y426 HydrophobicContact CG-CD1 4.3Å; R54-Y426 HydrophobicContact CG-CG 4.24Å; R54-Y426 VanDerWaalsContact NH1-CD2 3.29Å; R54-Y426 WeakPolarHBondContact O-CE1 3.32Å; K65-Y426 PolarHBondContact NZ-OH 3.16Å; L421-Y426 VanDerWaalsContact CD1-O 3.29Å; L421-Y426 WeakPolarHBondContact CD1-O 3.36Å; L421-Y426 HydrophobicContact CD2-CD1 4.4Å; C422-Y426 WeakPolarHBondContact O-CA 3.17Å; C422-Y426 PolarHBondContact O-N 3.39Å; C422-Y426 VanDerWaalsContact O-N 3.08Å; Y426-D454 HydrophobicContact CD2-CB 3.92Å; Y426-D454 VanDerWaalsContact CD2-CG 3.5Å; Y426-D454 WeakPolarHBondContact CD2-OD1 3.34Å; Y426-D454 HydrophobicContact CE2-CB 3.93Å; Y426-D454 WeakPolarHBondContact CE2-OD2 3.4Å
427	T	97	Very high	96.9	Very high	54 Å²	54	34.3 Å²	34.3	33%	0.331	18%	0.18	S	C	.	.			trans	-89.7	148.2	173.6	53	0	0	0	0	110.8	C422 S425 N447	C422-T427 VanDerWaalsContact CB-O 3.32Å; C422-T427 WeakPolarHBondContact CB-O 3.46Å; C422-T427 PolarHBondContact N-O 2.91Å; S425-T427 PolarHBondContact O-N 3.04Å; S425-T427 PolarHBondContact OG-OG1 3.13Å; T427-N447 PolarHBondContact OG1-ND2 2.97Å
428	W	97.9	Very high	96.9	Very high	58 Å²	58	32.1 Å²	32.1	22%	0.22	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.5	178.1	-65.8	96.9	0	0	0	110.8	D53 T77 R79 Y398 D419 L421	D53-W428 WeakPolarHBondContact OD1-CZ2 3.46Å; T77-W428 HydrophobicContact CG2-CH2 3.31Å; T77-W428 HydrophobicContact CG2-CZ2 4.31Å; T77-W428 HydrophobicContact CG2-CZ3 3.75Å; R79-W428 HydrophobicContact CB-CH2 4.04Å; R79-W428 HydrophobicContact CB-CZ3 3.95Å; R79-W428 HydrophobicContact CG-CD2 4.43Å; R79-W428 HydrophobicContact CG-CE3 3.81Å; R79-W428 HydrophobicContact CG-CH2 3.88Å; R79-W428 HydrophobicContact CG-CZ3 3.49Å; R79-W428 VanDerWaalsContact CG-CZ3 3.49Å; R79-W428 VanDerWaalsContact CZ-CD2 3.47Å; Y398-W428 HydrophobicContact CD2-CH2 4.38Å; Y398-W428 AromaticContact CE2-CH2 3.6Å; Y398-W428 HydrophobicContact CE2-CH2 3.6Å; Y398-W428 AromaticContact CE2-CZ2 3.84Å; Y398-W428 HydrophobicContact CE2-CZ2 3.84Å; Y398-W428 AromaticContact CZ-CH2 3.76Å; Y398-W428 AromaticContact CZ-CZ2 3.76Å; Y398-W428 VanDerWaalsContact OH-CZ2 3.27Å; Y398-W428 WeakPolarHBondContact OH-CZ2 3.4Å; D419-W428 HydrophobicContact CB-CB 4Å; D419-W428 HydrophobicContact CB-CD2 4.43Å; D419-W428 HydrophobicContact CB-CE3 3.73Å; L421-W428 HydrophobicContact CB-CE3 4.16Å; L421-W428 HydrophobicContact CB-CH2 4.35Å; L421-W428 HydrophobicContact CB-CZ3 4.02Å; L421-W428 HydrophobicContact CD1-CD2 4.02Å; L421-W428 HydrophobicContact CD1-CE3 4.38Å; L421-W428 HydrophobicContact CD1-CZ2 4.07Å
429	V	98.2	Very high	96.8	Very high	12 Å²	12	36.5 Å²	36.5	7%	0.073	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.9	-177.5	-175.3	0	0	0	0	108.7	D419 L420 Q433 L446	D419-V429 CarbonylContact C-O 3.55Å; D419-V429 VanDerWaalsContact CA-O 3.28Å; D419-V429 WeakPolarHBondContact CA-O 3.4Å; L420-V429 PolarHBondContact N-O 2.89Å; L420-V429 PolarHBondContact O-N 2.78Å; V429-Q433 HydrophobicContact CG1-CB 4.02Å; V429-L446 HydrophobicContact CB-CB 4.33Å; V429-L446 HydrophobicContact CG2-CB 4.22Å
430	S	98	Very high	96.6	Very high	30 Å²	30	42.6 Å²	42.6	21%	0.21	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	142.5	-175	65	0	0	0	0	112	E432 Q433 C434	S430-E432 PolarHBondContact O-N 3Å; S430-E432 VanDerWaalsContact O-N 3.15Å; S430-Q433 PolarHBondContact O-N 3.12Å; S430-Q433 WeakPolarHBondContact OG-CG 3.39Å; S430-C434 PolarHBondContact O-N 2.98Å; S430-C434 VanDerWaalsContact O-N 3.09Å; S430-C434 PolarHBondContact O-SG 3.08Å
431	V	96.9	Very high	96.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-55.1	-35	179.9	165.8	0	0	0	0	111.2	I78 A418 L420 C434 I435	I78-V431 HydrophobicContact CD1-CG2 4.1Å; A418-V431 HydrophobicContact CB-CG2 3.81Å; A418-V431 WeakPolarHBondContact O-CG2 3.46Å; A418-V431 PolarHBondContact O-N 2.7Å; L420-V431 HydrophobicContact CD2-CG2 3.96Å; L420-V431 HydrophobicContact CG-CG2 3.89Å; V431-C434 PolarHBondContact O-N 3.43Å; V431-I435 HydrophobicContact CG1-CD1 3.68Å; V431-I435 HydrophobicContact CG1-CG1 4.18Å; V431-I435 VanDerWaalsContact O-CG1 3.28Å; V431-I435 WeakPolarHBondContact O-CG1 3.35Å; V431-I435 PolarHBondContact O-N 3.39Å
432	E	96.1	Very high	95.9	Very high	80 Å²	80	52.9 Å²	52.9	37%	0.374	27%	0.269	S	S	.	.	H	α-helix	trans	-60.1	-42.7	176.5	-68.7	65.3	-142.2	0	0	112.7	R416 S430 P436	R416-E432 WeakPolarHBondContact CD-OE1 3.47Å; R416-E432 IonicContact CZ-OE1 3.57Å; R416-E432 IonicContact NE-OE1 2.98Å; R416-E432 PolarHBondContact NE-OE1 3.29Å; R416-E432 IonicContact NH2-OE1 3.23Å; R416-E432 PolarHBondContact NH2-OE1 3.28Å; S430-E432 PolarHBondContact O-N 3Å; S430-E432 VanDerWaalsContact O-N 3.15Å; E432-P436 VanDerWaalsContact O-CD 3.27Å; E432-P436 WeakPolarHBondContact O-CD 3.27Å
433	Q	96.9	Very high	95.8	Very high	103 Å²	103	55.1 Å²	55.1	48%	0.481	28%	0.278	S	S	.	.	H	α-helix	trans	-74.2	-30.4	177.1	-69.6	172	2.3	0	0	112.1	V429 S430	V429-Q433 HydrophobicContact CG1-CB 4.02Å; S430-Q433 PolarHBondContact O-N 3.12Å; S430-Q433 WeakPolarHBondContact OG-CG 3.39Å
434	C	97.4	Very high	95.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-76.3	-34.7	-178.8	-60.6	0	0	0	0	113.5	L420 S430 V431 L437 L438 L446	L420-C434 HydrophobicContact CD1-CB 3.74Å; L420-C434 HydrophobicContact CG-CB 4.35Å; S430-C434 PolarHBondContact O-N 2.98Å; S430-C434 VanDerWaalsContact O-N 3.09Å; S430-C434 PolarHBondContact O-SG 3.08Å; V431-C434 PolarHBondContact O-N 3.43Å; C434-L437 PolarHBondContact O-N 3.04Å; C434-L438 HydrophobicContact CB-CD1 4.26Å; C434-L438 WeakPolarHBondContact O-CG 3.46Å; C434-L438 PolarHBondContact O-N 3.37Å; C434-L446 HydrophobicContact CB-CD1 4.49Å; C434-L446 HydrophobicContact CB-CD2 4.03Å
435	I	96.1	Very high	95.9	Very high	42 Å²	42	54.1 Å²	54.1	22%	0.215	27%	0.27	C	S	.	.	H	α-helix	trans	-56.3	-46.1	-174.2	-78.8	163	0	0	0	113.5	V431 L437 L438 N439	V431-I435 HydrophobicContact CG1-CD1 3.68Å; V431-I435 HydrophobicContact CG1-CG1 4.18Å; V431-I435 VanDerWaalsContact O-CG1 3.28Å; V431-I435 WeakPolarHBondContact O-CG1 3.35Å; V431-I435 PolarHBondContact O-N 3.39Å; I435-L437 VanDerWaalsContact C-N 3.33Å; I435-L437 PolarHBondContact O-N 3.33Å; I435-L438 PolarHBondContact O-N 2.94Å; I435-N439 PolarHBondContact O-N 2.81Å; I435-N439 PolarHBondContact O-ND2 3.28Å
436	P	96.8	Very high	95.9	Very high	69 Å²	69	54 Å²	54	45%	0.448	27%	0.27	S	S	.	.	H	α-helix	trans	-57.4	-41.8	176.7	-27.2	35.7	0	0	0	113.5	E432 N439 N440	E432-P436 VanDerWaalsContact O-CD 3.27Å; E432-P436 WeakPolarHBondContact O-CD 3.27Å; P436-N439 PolarHBondContact O-N 2.88Å; P436-N440 PolarHBondContact O-N 3.21Å
437	L	96.4	Very high	95.9	Very high	61 Å²	61	53.6 Å²	53.6	32%	0.319	27%	0.271	S	S	.	.	H	α-helix	trans	-64.3	-43.6	177.5	-56.1	176.3	0	0	0	111.3	C434 I435 N440 S441 A444 L446	C434-L437 PolarHBondContact O-N 3.04Å; I435-L437 VanDerWaalsContact C-N 3.33Å; I435-L437 PolarHBondContact O-N 3.33Å; L437-N440 PolarHBondContact O-N 3.37Å; L437-S441 PolarHBondContact O-N 3.4Å; L437-S441 VanDerWaalsContact O-N 3.09Å; L437-A444 HydrophobicContact CB-CB 3.88Å; L437-L446 HydrophobicContact CD1-CD2 4.46Å
438	L	95.8	Very high	95.6	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-76.9	-19.8	-177.5	-63.2	174.9	0	0	0	114.1	Y76 Y402 H404 L420 C434 I435 N440 S441 A444 L446	Y76-L438 HydrophobicContact CD2-CD1 4.48Å; Y76-L438 HydrophobicContact CE1-CD2 4.38Å; Y76-L438 HydrophobicContact CE2-CD1 4.31Å; Y76-L438 HydrophobicContact CE2-CD2 3.59Å; Y76-L438 VanDerWaalsContact OH-CD2 3.32Å; Y76-L438 WeakPolarHBondContact OH-CD2 3.45Å; Y402-L438 HydrophobicContact CE1-CD1 3.96Å; H404-L438 HydrophobicContact CB-CB 4.04Å; H404-L438 HydrophobicContact CB-CD1 4.31Å; H404-L438 PolarHBondContact CD2-O 3.1Å; H404-L438 PolarHBondContact NE2-O 3.08Å; L420-L438 HydrophobicContact CD1-CD1 3.71Å; C434-L438 HydrophobicContact CB-CD1 4.26Å; C434-L438 WeakPolarHBondContact O-CG 3.46Å; C434-L438 PolarHBondContact O-N 3.37Å; I435-L438 PolarHBondContact O-N 2.94Å; L438-N440 VanDerWaalsContact C-N 3.34Å; L438-S441 CarbonylContact C-O 3.6Å; L438-S441 WeakPolarHBondContact CA-O 3.38Å; L438-A444 HydrophobicContact CD2-CB 3.93Å; L438-L446 HydrophobicContact CD1-CD2 4.43Å; L438-L446 HydrophobicContact CD2-CD2 4.24Å; L438-L446 HydrophobicContact CG-CD2 4.28Å
439	N	95.5	Very high	95.4	Very high	92 Å²	92	58.7 Å²	58.7	49%	0.492	30%	0.296	S	S	.	.	H	α-helix	trans	-69.8	-33.7	167.2	-68.8	-31.2	0	0	0	111.1	H404 R410 I435 P436	H404-N439 PolarHBondContact CE1-OD1 3.17Å; H404-N439 VanDerWaalsContact CE1-OD1 3.22Å; H404-N439 PolarHBondContact NE2-OD1 2.55Å; H404-N439 VanDerWaalsContact NE2-OD1 3.1Å; R410-N439 PolarHBondContact NH2-OD1 2.75Å; I435-N439 PolarHBondContact O-N 2.81Å; I435-N439 PolarHBondContact O-ND2 3.28Å; P436-N439 PolarHBondContact O-N 2.88Å
440	N	94.3	Very high	95	Very high	146 Å²	146	63 Å²	63	78%	0.781	32%	0.324	S	S	*	.	H	α-helix	trans	-84.4	-30.9	-176.8	-67.2	-11.2	0	0	0	113.1	P436 L437 L438	P436-N440 PolarHBondContact O-N 3.21Å; L437-N440 PolarHBondContact O-N 3.37Å; L438-N440 VanDerWaalsContact C-N 3.34Å
441	S	93.1	Very high	94.7	Very high	58 Å²	58	68.7 Å²	68.7	41%	0.406	35%	0.352	S	S	.	.			trans	-145.7	145.3	179	177.4	0	0	0	0	112.1	L437 L438 Y443	L437-S441 PolarHBondContact O-N 3.4Å; L437-S441 VanDerWaalsContact O-N 3.09Å; L438-S441 CarbonylContact C-O 3.6Å; L438-S441 WeakPolarHBondContact CA-O 3.38Å; S441-Y443 VanDerWaalsContact C-N 3.29Å; S441-Y443 VanDerWaalsContact CB-O 3.29Å; S441-Y443 WeakPolarHBondContact CB-O 3.39Å; S441-Y443 PolarHBondContact O-N 3.42Å; S441-Y443 PolarHBondContact OG-N 3Å; S441-Y443 PolarHBondContact OG-O 2.98Å
442	R	89.8	Confident	94.5	Very high	164 Å²	164	69.7 Å²	69.7	62%	0.619	36%	0.361	S	S	*	.	S	Bend	trans	-59.9	-40.9	174	-64.9	-175.2	-71.2	175.3	-4.3	111.9	P74 Y76	P74-R442 WeakPolarHBondContact CG-O 3.2Å; Y76-R442 PolarHBondContact OH-O 2.83Å
443	Y	94.8	Very high	94.3	Very high	48 Å²	48	68.4 Å²	68.4	19%	0.188	37%	0.368	C	S	.	.	S	Bend	trans	-110	130.3	174.5	176.5	-95.4	0	0	0	110	M68 K69 Y76 P423 E424 S441	M68-Y443 HydrophobicContact CB-CD2 3.83Å; M68-Y443 HydrophobicContact CB-CE2 3.57Å; M68-Y443 VanDerWaalsContact O-CD2 3.28Å; M68-Y443 WeakPolarHBondContact O-CD2 3.47Å; K69-Y443 HydrophobicContact CD-CE1 4.26Å; K69-Y443 VanDerWaalsContact CE-CZ 3.49Å; K69-Y443 WeakPolarHBondContact CE-OH 3.48Å; K69-Y443 HydrophobicContact CG-CD1 4.13Å; K69-Y443 HydrophobicContact CG-CD2 4.2Å; K69-Y443 HydrophobicContact CG-CE1 3.79Å; K69-Y443 HydrophobicContact CG-CE2 3.85Å; K69-Y443 HydrophobicContact CG-CG 4.32Å; Y76-Y443 WeakPolarHBondContact OH-CA 3.45Å; P423-Y443 HydrophobicContact CB-CE2 4.15Å; P423-Y443 HydrophobicContact CG-CE2 3.65Å; E424-Y443 VanDerWaalsContact CG-OH 3.23Å; E424-Y443 WeakPolarHBondContact CG-OH 3.5Å; E424-Y443 PolarHBondContact OE1-OH 3.36Å; S441-Y443 VanDerWaalsContact C-N 3.29Å; S441-Y443 VanDerWaalsContact CB-O 3.29Å; S441-Y443 WeakPolarHBondContact CB-O 3.39Å; S441-Y443 PolarHBondContact O-N 3.42Å; S441-Y443 PolarHBondContact OG-N 3Å; S441-Y443 PolarHBondContact OG-O 2.98Å
444	A	95.1	Very high	94.1	Very high	12 Å²	12	65 Å²	65	10%	0.099	35%	0.353	C	S	.	.			trans	-140.3	138.6	173	0	0	0	0	0	110.4	Y76 L437 L438 L446	Y76-A444 PolarHBondContact OH-N 2.69Å; L437-A444 HydrophobicContact CB-CB 3.88Å; L438-A444 HydrophobicContact CD2-CB 3.93Å; A444-L446 HydrophobicContact CB-CD2 4.15Å; A444-L446 PolarHBondContact O-N 2.69Å
445	R	94.9	Very high	94	Very high	56 Å²	56	70.2 Å²	70.2	21%	0.211	39%	0.39	C	S	.	.			trans	-68.5	124.5	157.8	-173.7	-175.9	-173.3	-95.9	9.6	107.2	E424 N447 D449 P450 A452	E424-R445 HydrophobicContact CB-CG 4.45Å; E424-R445 HydrophobicContact CG-CG 4.39Å; E424-R445 WeakPolarHBondContact OE2-CD 3.48Å; E424-R445 WeakPolarHBondContact OE2-CG 3.28Å; E424-R445 IonicContact OE2-NE 3.66Å; E424-R445 PolarHBondContact OE2-NE 2.92Å; R445-N447 PolarHBondContact NH1-O 3.32Å; R445-D449 PolarHBondContact NH1-O 3.3Å; R445-D449 PolarHBondContact NH2-O 3.12Å; R445-P450 PolarHBondContact NH2-O 2.79Å; R445-A452 PolarHBondContact NH2-O 3.03Å
446	L	96.6	Very high	93.9	Very high	0 Å²	0	71 Å²	71	0%	0	39%	0.393	C	S	.	.			trans	-91.7	-28.6	-170.4	-57.8	-177.9	0	0	0	113	Y76 L420 C422 V429 C434 L437 L438 A444	Y76-L446 HydrophobicContact CD1-CD1 3.66Å; Y76-L446 HydrophobicContact CD1-CG 4.35Å; Y76-L446 HydrophobicContact CE1-CD1 3.94Å; Y76-L446 HydrophobicContact CE1-CD2 4.28Å; Y76-L446 HydrophobicContact CE1-CG 4.12Å; L420-L446 HydrophobicContact CB-CD1 3.57Å; L420-L446 HydrophobicContact CD1-CD1 4.18Å; C422-L446 HydrophobicContact CB-CB 4.12Å; C422-L446 PolarHBondContact SG-N 3.38Å; V429-L446 HydrophobicContact CB-CB 4.33Å; V429-L446 HydrophobicContact CG2-CB 4.22Å; C434-L446 HydrophobicContact CB-CD1 4.49Å; C434-L446 HydrophobicContact CB-CD2 4.03Å; L437-L446 HydrophobicContact CD1-CD2 4.46Å; L438-L446 HydrophobicContact CD1-CD2 4.43Å; L438-L446 HydrophobicContact CD2-CD2 4.24Å; L438-L446 HydrophobicContact CG-CD2 4.28Å; A444-L446 HydrophobicContact CB-CD2 4.15Å; A444-L446 PolarHBondContact O-N 2.69Å
447	N	95.5	Very high	93.8	Very high	35 Å²	35	70 Å²	70	19%	0.187	39%	0.39	C	S	.	.			trans	-69.6	137.9	172.2	-165.6	-6	0	0	0	109.8	C422 S425 T427 R445 D449 A452	C422-N447 HydrophobicContact CB-CB 4.32Å; C422-N447 PolarHBondContact SG-N 3.35Å; C422-N447 VanDerWaalsContact SG-N 3.41Å; S425-N447 WeakPolarHBondContact OG-CB 3.43Å; S425-N447 PolarHBondContact OG-ND2 3.38Å; T427-N447 PolarHBondContact OG1-ND2 2.97Å; R445-N447 PolarHBondContact NH1-O 3.32Å; N447-D449 PolarHBondContact OD1-N 2.83Å; N447-A452 WeakPolarHBondContact ND2-CB 3.17Å
448	Q	91.8	Very high	93.7	Very high	140 Å²	140	68.5 Å²	68.5	65%	0.654	38%	0.384	S	S	*	.	S	Bend	trans	-90.4	-26.7	-176.3	-61.8	-175.2	18.5	0	0	113	P450	Q448-P450 WeakPolarHBondContact O-CD 3.36Å
449	D	93.7	Very high	93.6	Very high	80 Å²	80	77.6 Å²	77.6	43%	0.428	42%	0.423	S	S	.	.			trans	-69.2	112.2	172.9	171	-1.5	0	0	0	109	R445 N447 D451 A452	R445-D449 PolarHBondContact NH1-O 3.3Å; R445-D449 PolarHBondContact NH2-O 3.12Å; N447-D449 PolarHBondContact OD1-N 2.83Å; D449-D451 VanDerWaalsContact C-N 3.28Å; D449-D451 PolarHBondContact O-N 3.25Å; D449-D451 PolarHBondContact OD1-N 3.02Å; D449-A452 HydrophobicContact CB-CB 3.99Å; D449-A452 PolarHBondContact O-N 3.21Å; D449-A452 PolarHBondContact OD1-N 3.36Å
450	P	89.5	Confident	93.5	Very high	103 Å²	103	76.8 Å²	76.8	67%	0.669	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-27.6	-175.4	29.6	-35.4	0	0	0	113.1	R445 Q448	R445-P450 PolarHBondContact NH2-O 2.79Å; Q448-P450 WeakPolarHBondContact O-CD 3.36Å
451	D	92	Very high	93.4	Very high	148 Å²	148	70.6 Å²	70.6	79%	0.791	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-13.8	-175	-60.7	-49.3	0	0	0	112.3	D449 G453	D449-D451 VanDerWaalsContact C-N 3.28Å; D449-D451 PolarHBondContact O-N 3.25Å; D449-D451 PolarHBondContact OD1-N 3.02Å; D451-G453 PolarHBondContact O-N 2.79Å
452	A	92.1	Very high	93.5	Very high	22 Å²	22	68 Å²	68	18%	0.182	37%	0.369	C	S	.	.			trans	-62.7	100.3	175.8	0	0	0	0	0	113	S425 R445 N447 D449	S425-A452 WeakPolarHBondContact CB-O 3.39Å; R445-A452 PolarHBondContact NH2-O 3.03Å; N447-A452 WeakPolarHBondContact ND2-CB 3.17Å; D449-A452 HydrophobicContact CB-CB 3.99Å; D449-A452 PolarHBondContact O-N 3.21Å; D449-A452 PolarHBondContact OD1-N 3.36Å
453	G	91.7	Very high	93.8	Very high	52 Å²	52	66.6 Å²	66.6	54%	0.536	36%	0.363	S	S	.	.			trans	-80.1	-170.6	169.5	0	0	0	0	0	113.9	S425 D451 S455	S425-G453 WeakPolarHBondContact CA-O 3.04Å; S425-G453 WeakPolarHBondContact CB-O 3.42Å; D451-G453 PolarHBondContact O-N 2.79Å; G453-S455 PolarHBondContact O-N 2.9Å
454	D	94.4	Very high	93.9	Very high	32 Å²	32	64.3 Å²	64.3	17%	0.171	36%	0.355	C	S	.	.			trans	-73.3	115.9	164.9	172.7	16.5	0	0	0	109.6	R54 Y426 Q456 A457	R54-D454 IonicContact CZ-OD1 3.25Å; R54-D454 IonicContact CZ-OD2 3.68Å; R54-D454 VanDerWaalsContact CZ-OD2 3.32Å; R54-D454 VanDerWaalsContact NH1-CG 3.25Å; R54-D454 IonicContact NH1-OD1 3.44Å; R54-D454 PolarHBondContact NH1-OD1 3.13Å; R54-D454 IonicContact NH1-OD2 3.74Å; R54-D454 PolarHBondContact NH1-OD2 3.01Å; R54-D454 IonicContact NH2-OD1 2.67Å; R54-D454 IonicContact NH2-OD2 3.09Å; R54-D454 PolarHBondContact NH2-OD2 3.23Å; Y426-D454 HydrophobicContact CD2-CB 3.92Å; Y426-D454 VanDerWaalsContact CD2-CG 3.5Å; Y426-D454 WeakPolarHBondContact CD2-OD1 3.34Å; Y426-D454 HydrophobicContact CE2-CB 3.93Å; Y426-D454 WeakPolarHBondContact CE2-OD2 3.4Å; D454-Q456 PolarHBondContact O-N 3.16Å; D454-Q456 WeakPolarHBondContact OD1-CA 3.44Å; D454-Q456 WeakPolarHBondContact OD1-CB 3.47Å; D454-Q456 PolarHBondContact OD1-N 2.95Å; D454-A457 HydrophobicContact CB-CB 4.15Å; D454-A457 VanDerWaalsContact CG-N 3.34Å; D454-A457 VanDerWaalsContact O-CB 3.24Å; D454-A457 WeakPolarHBondContact O-CB 3.38Å; D454-A457 PolarHBondContact O-N 2.87Å; D454-A457 VanDerWaalsContact O-N 3.08Å; D454-A457 PolarHBondContact OD2-N 3.1Å
455	S	93.6	Very high	94	Very high	109 Å²	109	65.5 Å²	65.5	76%	0.762	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.6	178.1	57.7	0	0	0	0	113.3	G453	G453-S455 PolarHBondContact O-N 2.9Å
456	Q	94.1	Very high	94.1	Very high	59 Å²	59	62.8 Å²	62.8	28%	0.276	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	21	178.4	-72	-69.4	-15.9	0	0	112	D454 V458 G499 Q500 D501	D454-Q456 PolarHBondContact O-N 3.16Å; D454-Q456 WeakPolarHBondContact OD1-CA 3.44Å; D454-Q456 WeakPolarHBondContact OD1-CB 3.47Å; D454-Q456 PolarHBondContact OD1-N 2.95Å; Q456-V458 PolarHBondContact O-N 2.95Å; Q456-G499 CarbonylContact O-C 3.53Å; Q456-G499 VanDerWaalsContact O-CA 3.25Å; Q456-G499 WeakPolarHBondContact O-CA 3.34Å; Q456-Q500 PolarHBondContact O-N 3.09Å; Q456-D501 PolarHBondContact NE2-OD2 3.45Å; Q456-D501 PolarHBondContact OE1-OD1 3.35Å; Q456-D501 PolarHBondContact OE1-OD2 2.89Å
457	A	94.8	Very high	94	Very high	47 Å²	47	64 Å²	64	39%	0.388	36%	0.355	S	S	.	.			trans	-57.9	136.4	175	0	0	0	0	0	111.4	D454 K459	D454-A457 HydrophobicContact CB-CB 4.15Å; D454-A457 VanDerWaalsContact CG-N 3.34Å; D454-A457 VanDerWaalsContact O-CB 3.24Å; D454-A457 WeakPolarHBondContact O-CB 3.38Å; D454-A457 PolarHBondContact O-N 2.87Å; D454-A457 VanDerWaalsContact O-N 3.08Å; D454-A457 PolarHBondContact OD2-N 3.1Å; A457-K459 PolarHBondContact O-N 3.48Å
458	V	94.3	Very high	93.9	Very high	31 Å²	31	62.6 Å²	62.6	19%	0.188	35%	0.347	C	S	.	.			trans	-71.3	122.1	-176.6	176.1	0	0	0	0	111.2	Q456 A495 Q500	Q456-V458 PolarHBondContact O-N 2.95Å; V458-A495 HydrophobicContact CG1-CB 4.28Å; V458-A495 VanDerWaalsContact CG2-C 3.47Å; V458-A495 HydrophobicContact CG2-CB 3.94Å; V458-A495 WeakPolarHBondContact CG2-O 3.36Å; V458-Q500 VanDerWaalsContact CA-OE1 3.23Å
459	K	93.4	Very high	93.9	Very high	195 Å²	195	63 Å²	63	85%	0.848	35%	0.347	S	S	*	.	S	Bend	trans	-92.9	-36.5	179.1	-59.4	178.2	-174.6	173.7	0	112.1	A457	A457-K459 PolarHBondContact O-N 3.48Å
460	D	93.1	Very high	93.8	Very high	75 Å²	75	68.3 Å²	68.3	40%	0.401	36%	0.361	S	S	.	.			trans	-142.6	109.7	176.7	-179	14.8	0	0	0	111	G462 R463	D460-G462 PolarHBondContact O-N 3.31Å; D460-G462 WeakPolarHBondContact OD1-CA 3.39Å; D460-G462 PolarHBondContact OD1-N 3.29Å; D460-R463 HydrophobicContact CB-CG 4.25Å; D460-R463 PolarHBondContact O-N 2.72Å
461	V	93.9	Very high	94	Very high	16 Å²	16	67 Å²	67	10%	0.097	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-65.9	-22.9	174.5	69	0	0	0	0	112.3	R463 A464 Y475 V491 Q492 A495	V461-R463 PolarHBondContact O-N 3.26Å; V461-A464 WeakPolarHBondContact O-CB 3.22Å; V461-A464 PolarHBondContact O-N 3.49Å; V461-A464 VanDerWaalsContact O-N 3.13Å; V461-Y475 HydrophobicContact CG2-CD1 4.44Å; V461-Y475 WeakPolarHBondContact O-CB 3.36Å; V461-V491 HydrophobicContact CG2-CB 4.47Å; V461-V491 HydrophobicContact CG2-CG1 3.8Å; V461-Q492 HydrophobicContact CG2-CB 4.4Å; V461-A495 HydrophobicContact CG2-CB 4.38Å
462	G	94.9	Very high	94.1	Very high	5 Å²	5	63.1 Å²	63.1	5%	0.052	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-61.8	-23.8	176.5	0	0	0	0	0	113.9	D460 P474 Y475 I476	D460-G462 PolarHBondContact O-N 3.31Å; D460-G462 WeakPolarHBondContact OD1-CA 3.39Å; D460-G462 PolarHBondContact OD1-N 3.29Å; G462-P474 CarbonylContact O-C 3.6Å; G462-P474 WeakPolarHBondContact O-CB 3.3Å; G462-Y475 PolarHBondContact O-N 2.99Å; G462-Y475 VanDerWaalsContact O-N 3.09Å; G462-I476 WeakPolarHBondContact O-CG2 3.36Å; G462-I476 PolarHBondContact O-N 2.79Å
463	R	96	Very high	94.3	Very high	133 Å²	133	62.9 Å²	62.9	50%	0.502	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-81.9	-14.5	176.9	-62.7	-176.7	69.3	-165.9	-3.8	114.2	D460 V461 L465 E504	D460-R463 HydrophobicContact CB-CG 4.25Å; D460-R463 PolarHBondContact O-N 2.72Å; V461-R463 PolarHBondContact O-N 3.26Å; R463-L465 PolarHBondContact O-N 2.71Å; R463-E504 HydrophobicContact CB-CG 4.08Å; R463-E504 IonicContact CZ-OE1 3.27Å; R463-E504 IonicContact CZ-OE2 3.93Å; R463-E504 IonicContact NE-OE1 3.86Å; R463-E504 PolarHBondContact NE-OE1 2.99Å; R463-E504 VanDerWaalsContact NE-OE1 3.14Å; R463-E504 IonicContact NE-OE2 2.65Å; R463-E504 IonicContact NH1-OE1 3.15Å; R463-E504 PolarHBondContact NH1-OE1 2.7Å; R463-E504 IonicContact NH1-OE2 3.52Å; R463-E504 VanDerWaalsContact NH2-CD 3.31Å; R463-E504 IonicContact NH2-OE1 3.56Å; R463-E504 PolarHBondContact NH2-OE1 3.07Å; R463-E504 IonicContact NH2-OE2 2.63Å; R463-E504 PolarHBondContact NH2-OE2 3.27Å
464	A	96.6	Very high	94.5	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.008	32%	0.318	C	S	.	.	S	Bend	trans	-59.1	134	-179.8	0	0	0	0	0	111.1	V461 P474 Y475 V491 A503	V461-A464 WeakPolarHBondContact O-CB 3.22Å; V461-A464 PolarHBondContact O-N 3.49Å; V461-A464 VanDerWaalsContact O-N 3.13Å; A464-P474 CarbonylContact O-C 3.56Å; A464-P474 WeakPolarHBondContact O-CA 3.39Å; A464-Y475 PolarHBondContact O-N 2.85Å; A464-V491 HydrophobicContact CB-CG1 4.41Å; A464-A503 CarbonylContact C-O 3.57Å; A464-A503 VanDerWaalsContact CA-O 3.27Å; A464-A503 WeakPolarHBondContact CA-O 3.16Å; A464-A503 HydrophobicContact CB-CB 4.23Å
465	L	97	Very high	94.6	Very high	36 Å²	36	61.7 Å²	61.7	19%	0.188	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	127.6	-176.9	-69.4	-172.8	0	0	0	112	R463 V472 A503 E504 L507 L508	R463-L465 PolarHBondContact O-N 2.71Å; L465-V472 HydrophobicContact CD1-CG1 4.44Å; L465-V472 HydrophobicContact CD2-CG1 4.35Å; L465-A503 PolarHBondContact N-O 3.18Å; L465-E504 WeakPolarHBondContact CD1-O 3.23Å; L465-E504 WeakPolarHBondContact CG-O 3.39Å; L465-L507 HydrophobicContact CB-CD2 3.86Å; L465-L507 HydrophobicContact CD1-CD2 3.78Å; L465-L507 HydrophobicContact CG-CD2 4.48Å; L465-L508 WeakPolarHBondContact O-CB 3.44Å; L465-L508 PolarHBondContact O-N 3.12Å
466	V	96.2	Very high	94.7	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.7	176.2	174.7	0	0	0	0	110.6	H468 V472 M473 Y475 Y478 L508 R510	V466-H468 HydrophobicContact CG1-CB 4.33Å; V466-V472 WeakPolarHBondContact O-CA 3.46Å; V466-M473 PolarHBondContact N-O 3.3Å; V466-M473 PolarHBondContact O-N 2.92Å; V466-Y475 HydrophobicContact CG2-CD2 4Å; V466-Y478 HydrophobicContact CB-CG 4.46Å; V466-Y478 HydrophobicContact CG1-CD2 3.8Å; V466-Y478 HydrophobicContact CG1-CE2 4.15Å; V466-Y478 HydrophobicContact CG1-CG 4.03Å; V466-L508 CarbonylContact C-O 3.59Å; V466-L508 WeakPolarHBondContact CA-O 3.33Å; V466-R510 HydrophobicContact CG1-CB 3.94Å; V466-R510 HydrophobicContact CG1-CG 3.67Å
467	L	96.3	Very high	94.7	Very high	26 Å²	26	60.8 Å²	60.8	14%	0.136	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	106.1	168.5	175.9	63.7	0	0	0	109.4	I11 V472 L507 L508 Y509 R510	I11-L467 HydrophobicContact CD1-CD2 4.14Å; I11-L467 HydrophobicContact CG1-CD2 4.48Å; I11-L467 HydrophobicContact CG2-CD2 3.89Å; L467-V472 HydrophobicContact CD1-CG2 3.95Å; L467-L507 HydrophobicContact CB-CB 4.16Å; L467-L508 PolarHBondContact N-O 3.24Å; L467-Y509 HydrophobicContact CD2-CD2 4.44Å; L467-Y509 HydrophobicContact CG-CD2 4.45Å; L467-R510 PolarHBondContact O-N 3.12Å
468	H	93.4	Very high	94.6	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.019	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.8	175.7	-178.9	69.8	0	0	0	110.4	V466 R470 T471 Y478 F482 R510 S511	V466-H468 HydrophobicContact CG1-CB 4.33Å; H468-R470 PolarHBondContact O-N 2.68Å; H468-R470 VanDerWaalsContact O-N 3.13Å; H468-T471 PolarHBondContact N-O 2.81Å; H468-T471 PolarHBondContact O-N 3.26Å; H468-Y478 HydrophobicContact CB-CD2 4Å; H468-Y478 HydrophobicContact CB-CE2 4Å; H468-Y478 AromaticContact CG-CE2 3.97Å; H468-F482 AromaticContact CD2-CE2 3.49Å; H468-F482 VanDerWaalsContact CD2-CE2 3.49Å; H468-F482 WeakPolarHBondContact CD2-CE2 3.26Å; H468-F482 AromaticContact CD2-CZ 3.4Å; H468-F482 WeakPolarHBondContact CD2-CZ 3.45Å; H468-F482 AromaticContact NE2-CE1 3.82Å; H468-F482 AromaticContact NE2-CZ 3.65Å; H468-R510 PolarHBondContact ND1-O 2.89Å; H468-S511 VanDerWaalsContact CE1-C 3.47Å; H468-S511 PolarHBondContact CE1-O 2.92Å; H468-S511 PolarHBondContact CE1-OXT 2.63Å; H468-S511 VanDerWaalsContact CE1-OXT 3.29Å; H468-S511 PolarHBondContact ND1-O 3.1Å
469	K	91.1	Very high	94.5	Very high	150 Å²	150	59.1 Å²	59.1	65%	0.652	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	42.5	179.6	-68.8	175.2	-176.1	164.4	0	114.6	T471	K469-T471 PolarHBondContact O-N 2.66Å
470	R	90.9	Very high	94.4	Very high	190 Å²	190	53.6 Å²	53.6	72%	0.717	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	7	-176.4	-50.2	177.1	178.8	170.1	-0.1	115.6	M3 H468	M3-R470 WeakPolarHBondContact CE-O 3.33Å; H468-R470 PolarHBondContact O-N 2.68Å; H468-R470 VanDerWaalsContact O-N 3.13Å
471	T	93.3	Very high	94.2	Very high	76 Å²	76	56.5 Å²	56.5	47%	0.466	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.5	171.8	-47	0	0	0	0	110.1	H468 K469 M473	H468-T471 PolarHBondContact N-O 2.81Å; H468-T471 PolarHBondContact O-N 3.26Å; K469-T471 PolarHBondContact O-N 2.66Å; T471-M473 HydrophobicContact CG2-CE 3.66Å
472	V	95.8	Very high	93.7	Very high	67 Å²	67	59.1 Å²	59.1	41%	0.406	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	132.4	169	177.1	0	0	0	0	108.9	L465 V466 L467 L507	L465-V472 HydrophobicContact CD1-CG1 4.44Å; L465-V472 HydrophobicContact CD2-CG1 4.35Å; V466-V472 WeakPolarHBondContact O-CA 3.46Å; L467-V472 HydrophobicContact CD1-CG2 3.95Å; V472-L507 HydrophobicContact CG1-CD2 3.68Å; V472-L507 HydrophobicContact CG2-CD1 3.8Å; V472-L507 HydrophobicContact CG2-CD2 4.02Å
473	M	95.8	Very high	92.3	Very high	17 Å²	17	67.4 Å²	67.4	8%	0.084	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	155.3	173	68.4	-162.9	81.8	0	0	111.8	V466 T471 V477 K481	V466-M473 PolarHBondContact N-O 3.3Å; V466-M473 PolarHBondContact O-N 2.92Å; T471-M473 HydrophobicContact CG2-CE 3.66Å; M473-V477 HydrophobicContact CB-CB 4.23Å; M473-V477 HydrophobicContact CB-CG1 4.29Å; M473-V477 HydrophobicContact CG-CB 4.32Å; M473-V477 HydrophobicContact CG-CG1 4.43Å; M473-V477 HydrophobicContact SD-CB 4.43Å; M473-V477 HydrophobicContact SD-CG1 4.04Å; M473-K481 HydrophobicContact SD-CD 4.26Å
474	P	96.4	Very high	90.6	Very high	49 Å²	49	65 Å²	65	32%	0.318	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	148.2	169.9	-22.9	34.6	0	0	0	112.1	G462 A464 I476 V477 Y478	G462-P474 CarbonylContact O-C 3.6Å; G462-P474 WeakPolarHBondContact O-CB 3.3Å; A464-P474 CarbonylContact O-C 3.56Å; A464-P474 WeakPolarHBondContact O-CA 3.39Å; P474-I476 HydrophobicContact CB-CG2 4.18Å; P474-I476 PolarHBondContact O-N 3.07Å; P474-I476 VanDerWaalsContact O-N 3.16Å; P474-V477 WeakPolarHBondContact O-CB 3.17Å; P474-V477 PolarHBondContact O-N 2.9Å; P474-Y478 PolarHBondContact O-N 2.81Å; P474-Y478 VanDerWaalsContact O-N 3.12Å
475	Y	95.8	Very high	89.2	Confident	9 Å²	9	70.6 Å²	70.6	4%	0.035	36%	0.364	C	S	.	.	H	α-helix	trans	-57	-32	-178.2	-178.5	-110.1	0	0	0	113.4	V461 G462 A464 V466 V477 Y478 S479 D487 K488 V491	V461-Y475 HydrophobicContact CG2-CD1 4.44Å; V461-Y475 WeakPolarHBondContact O-CB 3.36Å; G462-Y475 PolarHBondContact O-N 2.99Å; G462-Y475 VanDerWaalsContact O-N 3.09Å; A464-Y475 PolarHBondContact O-N 2.85Å; V466-Y475 HydrophobicContact CG2-CD2 4Å; Y475-V477 VanDerWaalsContact C-N 3.29Å; Y475-V477 PolarHBondContact O-N 3.32Å; Y475-Y478 AromaticContact CD2-CD1 3.65Å; Y475-Y478 HydrophobicContact CD2-CD1 3.65Å; Y475-Y478 HydrophobicContact CD2-CE1 4.21Å; Y475-Y478 AromaticContact CE2-CD1 3.59Å; Y475-Y478 HydrophobicContact CE2-CD1 3.59Å; Y475-Y478 AromaticContact CE2-CE1 3.77Å; Y475-Y478 HydrophobicContact CE2-CE1 3.77Å; Y475-Y478 PolarHBondContact O-N 2.95Å; Y475-S479 WeakPolarHBondContact O-CB 3.38Å; Y475-S479 PolarHBondContact O-N 3.22Å; Y475-S479 PolarHBondContact O-OG 3.34Å; Y475-D487 WeakPolarHBondContact CE2-OD1 3.42Å; Y475-D487 PolarHBondContact OH-OD1 2.75Å; Y475-K488 HydrophobicContact CE1-CB 4.43Å; Y475-K488 HydrophobicContact CE1-CG 4.24Å; Y475-K488 WeakPolarHBondContact OH-CA 3.18Å; Y475-K488 WeakPolarHBondContact OH-CB 3.48Å; Y475-K488 PolarHBondContact OH-N 2.66Å; Y475-V491 HydrophobicContact CD1-CG1 4.2Å; Y475-V491 HydrophobicContact CD2-CB 4.38Å; Y475-V491 HydrophobicContact CD2-CG1 3.96Å; Y475-V491 HydrophobicContact CD2-CG2 4.01Å; Y475-V491 HydrophobicContact CE2-CB 4.21Å; Y475-V491 HydrophobicContact CE2-CG1 4.29Å; Y475-V491 HydrophobicContact CE2-CG2 3.71Å; Y475-V491 HydrophobicContact CG-CG1 3.93Å
476	I	94.8	Very high	88	Confident	96 Å²	96	74.8 Å²	74.8	49%	0.492	40%	0.397	S	S	.	.	H	α-helix	trans	-62.2	-35.4	174.2	-167.8	169.8	0	0	0	112.4	G462 P474 S479 C480	G462-I476 WeakPolarHBondContact O-CG2 3.36Å; G462-I476 PolarHBondContact O-N 2.79Å; P474-I476 HydrophobicContact CB-CG2 4.18Å; P474-I476 PolarHBondContact O-N 3.07Å; P474-I476 VanDerWaalsContact O-N 3.16Å; I476-S479 PolarHBondContact O-OG 2.91Å; I476-C480 WeakPolarHBondContact O-CB 3.35Å; I476-C480 PolarHBondContact O-N 2.87Å; I476-C480 PolarHBondContact O-SG 2.54Å
477	V	94.6	Very high	87.6	Confident	54 Å²	54	75.6 Å²	75.6	33%	0.327	40%	0.401	S	S	.	.	H	α-helix	trans	-76.1	-42.2	177.1	-178.6	0	0	0	0	110.5	M473 P474 Y475 K481	M473-V477 HydrophobicContact CB-CB 4.23Å; M473-V477 HydrophobicContact CB-CG1 4.29Å; M473-V477 HydrophobicContact CG-CB 4.32Å; M473-V477 HydrophobicContact CG-CG1 4.43Å; M473-V477 HydrophobicContact SD-CB 4.43Å; M473-V477 HydrophobicContact SD-CG1 4.04Å; P474-V477 WeakPolarHBondContact O-CB 3.17Å; P474-V477 PolarHBondContact O-N 2.9Å; Y475-V477 VanDerWaalsContact C-N 3.29Å; Y475-V477 PolarHBondContact O-N 3.32Å; V477-K481 HydrophobicContact CG1-CD 4.11Å; V477-K481 WeakPolarHBondContact O-CB 3.29Å; V477-K481 WeakPolarHBondContact O-CG 3.34Å; V477-K481 PolarHBondContact O-N 3.35Å; V477-K481 VanDerWaalsContact O-N 3.09Å
478	Y	93.9	Very high	87.2	Confident	1 Å²	1	80.7 Å²	80.7	0%	0.004	42%	0.422	C	S	.	.	H	α-helix	trans	-61.6	-50.3	177.1	164.1	-89	0	0	0	111.5	V466 H468 P474 Y475 C480 K481 F482 R485 D487 R510	V466-Y478 HydrophobicContact CB-CG 4.46Å; V466-Y478 HydrophobicContact CG1-CD2 3.8Å; V466-Y478 HydrophobicContact CG1-CE2 4.15Å; V466-Y478 HydrophobicContact CG1-CG 4.03Å; H468-Y478 HydrophobicContact CB-CD2 4Å; H468-Y478 HydrophobicContact CB-CE2 4Å; H468-Y478 AromaticContact CG-CE2 3.97Å; P474-Y478 PolarHBondContact O-N 2.81Å; P474-Y478 VanDerWaalsContact O-N 3.12Å; Y475-Y478 AromaticContact CD2-CD1 3.65Å; Y475-Y478 HydrophobicContact CD2-CD1 3.65Å; Y475-Y478 HydrophobicContact CD2-CE1 4.21Å; Y475-Y478 AromaticContact CE2-CD1 3.59Å; Y475-Y478 HydrophobicContact CE2-CD1 3.59Å; Y475-Y478 AromaticContact CE2-CE1 3.77Å; Y475-Y478 HydrophobicContact CE2-CE1 3.77Å; Y475-Y478 PolarHBondContact O-N 2.95Å; Y478-C480 VanDerWaalsContact C-N 3.34Å; Y478-C480 PolarHBondContact O-N 2.88Å; Y478-K481 PolarHBondContact O-N 3.12Å; Y478-K481 VanDerWaalsContact O-N 3.12Å; Y478-F482 AromaticContact CD2-CD2 3.53Å; Y478-F482 HydrophobicContact CD2-CD2 3.53Å; Y478-F482 HydrophobicContact CD2-CE2 4.01Å; Y478-F482 AromaticContact CE2-CD2 3.8Å; Y478-F482 HydrophobicContact CE2-CD2 3.8Å; Y478-F482 HydrophobicContact CE2-CE2 4.44Å; Y478-F482 HydrophobicContact CE2-CG 4.44Å; Y478-F482 HydrophobicContact CG-CD2 4.19Å; Y478-F482 WeakPolarHBondContact O-CD2 3.39Å; Y478-F482 PolarHBondContact O-N 2.88Å; Y478-R485 VanDerWaalsContact OH-CD 3.28Å; Y478-R485 WeakPolarHBondContact OH-CD 3.47Å; Y478-R485 PolarHBondContact OH-NH1 3.35Å; Y478-D487 WeakPolarHBondContact CE1-OD2 3.24Å; Y478-D487 PolarHBondContact OH-OD2 2.71Å; Y478-R510 HydrophobicContact CE2-CB 4.09Å
479	S	92.4	Very high	87.1	Confident	41 Å²	41	84.2 Å²	84.2	29%	0.287	45%	0.452	S	S	.	.	H	α-helix	trans	-65.3	-33.8	-179.9	55.5	0	0	0	0	113.1	Y475 I476	Y475-S479 WeakPolarHBondContact O-CB 3.38Å; Y475-S479 PolarHBondContact O-N 3.22Å; Y475-S479 PolarHBondContact O-OG 3.34Å; I476-S479 PolarHBondContact O-OG 2.91Å
480	C	90.6	Very high	87.1	Confident	79 Å²	79	79.8 Å²	79.8	53%	0.534	43%	0.433	S	S	.	.	H	α-helix	trans	-67.4	-35	171.7	-73.9	0	0	0	0	113.5	I476 Y478 K483	I476-C480 WeakPolarHBondContact O-CB 3.35Å; I476-C480 PolarHBondContact O-N 2.87Å; I476-C480 PolarHBondContact O-SG 2.54Å; Y478-C480 VanDerWaalsContact C-N 3.34Å; Y478-C480 PolarHBondContact O-N 2.88Å; C480-K483 WeakPolarHBondContact O-CE 3.25Å; C480-K483 WeakPolarHBondContact O-CG 3.49Å
481	K	88	Confident	87.2	Confident	137 Å²	137	70.7 Å²	70.7	60%	0.596	40%	0.399	S	S	*	.	H	α-helix	trans	-80.9	-37	-179.6	-75.1	178.5	178.8	-179.7	0	113.1	M473 V477 Y478	M473-K481 HydrophobicContact SD-CD 4.26Å; V477-K481 HydrophobicContact CG1-CD 4.11Å; V477-K481 WeakPolarHBondContact O-CB 3.29Å; V477-K481 WeakPolarHBondContact O-CG 3.34Å; V477-K481 PolarHBondContact O-N 3.35Å; V477-K481 VanDerWaalsContact O-N 3.09Å; Y478-K481 PolarHBondContact O-N 3.12Å; Y478-K481 VanDerWaalsContact O-N 3.12Å
482	F	83.2	Confident	87.2	Confident	71 Å²	71	70.9 Å²	70.9	31%	0.311	40%	0.395	S	S	.	.	S	Bend	trans	-111.3	50.2	-173.8	-58.1	-70.7	0	0	0	111.8	H468 Y478 G484	H468-F482 AromaticContact CD2-CE2 3.49Å; H468-F482 VanDerWaalsContact CD2-CE2 3.49Å; H468-F482 WeakPolarHBondContact CD2-CE2 3.26Å; H468-F482 AromaticContact CD2-CZ 3.4Å; H468-F482 WeakPolarHBondContact CD2-CZ 3.45Å; H468-F482 AromaticContact NE2-CE1 3.82Å; H468-F482 AromaticContact NE2-CZ 3.65Å; Y478-F482 AromaticContact CD2-CD2 3.53Å; Y478-F482 HydrophobicContact CD2-CD2 3.53Å; Y478-F482 HydrophobicContact CD2-CE2 4.01Å; Y478-F482 AromaticContact CE2-CD2 3.8Å; Y478-F482 HydrophobicContact CE2-CD2 3.8Å; Y478-F482 HydrophobicContact CE2-CE2 4.44Å; Y478-F482 HydrophobicContact CE2-CG 4.44Å; Y478-F482 HydrophobicContact CG-CD2 4.19Å; Y478-F482 WeakPolarHBondContact O-CD2 3.39Å; Y478-F482 PolarHBondContact O-N 2.88Å; F482-G484 PolarHBondContact O-N 3.19Å
483	K	65.4	Low	87.1	Confident	179 Å²	179	70.3 Å²	70.3	78%	0.778	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	131.2	178.7	-64.9	-178.3	-178.3	-178.9	0	110.9	C480	C480-K483 WeakPolarHBondContact O-CE 3.25Å; C480-K483 WeakPolarHBondContact O-CG 3.49Å
484	G	61.8	Low	87.1	Confident	83 Å²	83	69.5 Å²	69.5	86%	0.856	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.2	-11	177.6	0	0	0	0	0	115.3	F482	F482-G484 PolarHBondContact O-N 3.19Å
485	R	66.6	Low	87	Confident	118 Å²	118	67.2 Å²	67.2	45%	0.445	37%	0.368	S	S	.	.			trans	-80.2	130.1	169.6	-75.9	-174	167.1	-177.3	-4.8	111.5	Y478 D487 S511	Y478-R485 VanDerWaalsContact OH-CD 3.28Å; Y478-R485 WeakPolarHBondContact OH-CD 3.47Å; Y478-R485 PolarHBondContact OH-NH1 3.35Å; R485-D487 PolarHBondContact O-N 2.82Å; R485-S511 PolarHBondContact NH1-O 2.98Å; R485-S511 PolarHBondContact NH2-O 3.16Å
486	S	71.7	Confident	86.9	Confident	124 Å²	124	69.2 Å²	69.2	87%	0.867	38%	0.384	S	S	*	.			trans	-89.4	41	175.1	-153.6	0	0	0	0	112.2
487	D	86.9	Confident	86.9	Confident	16 Å²	16	65.2 Å²	65.2	9%	0.086	36%	0.363	C	S	.	.			trans	-88.8	-4.3	-176.5	61	20.8	0	0	0	113.9	Y475 Y478 R485 A489 E490 V491	Y475-D487 WeakPolarHBondContact CE2-OD1 3.42Å; Y475-D487 PolarHBondContact OH-OD1 2.75Å; Y478-D487 WeakPolarHBondContact CE1-OD2 3.24Å; Y478-D487 PolarHBondContact OH-OD2 2.71Å; R485-D487 PolarHBondContact O-N 2.82Å; D487-A489 VanDerWaalsContact C-N 3.32Å; D487-A489 PolarHBondContact O-N 3.39Å; D487-E490 PolarHBondContact O-N 3.48Å; D487-E490 VanDerWaalsContact O-N 3.15Å; D487-V491 WeakPolarHBondContact O-CG2 3.32Å; D487-V491 PolarHBondContact O-N 3.35Å
488	K	89.3	Confident	87	Confident	133 Å²	133	62.7 Å²	62.7	58%	0.578	35%	0.348	S	S	*	.	H	α-helix	trans	-57.9	-40	-177.7	-174.5	176.1	178.8	-178	0	113.4	Y475 Q492	Y475-K488 HydrophobicContact CE1-CB 4.43Å; Y475-K488 HydrophobicContact CE1-CG 4.24Å; Y475-K488 WeakPolarHBondContact OH-CA 3.18Å; Y475-K488 WeakPolarHBondContact OH-CB 3.48Å; Y475-K488 PolarHBondContact OH-N 2.66Å; K488-Q492 VanDerWaalsContact O-CB 3.22Å; K488-Q492 WeakPolarHBondContact O-CB 3.4Å; K488-Q492 PolarHBondContact O-N 3.01Å
489	A	90.3	Very high	87.1	Confident	78 Å²	78	62.7 Å²	62.7	65%	0.645	35%	0.348	S	S	*	.	H	α-helix	trans	-65	-43.8	178.5	0	0	0	0	0	111.4	D487 Q492 E493	D487-A489 VanDerWaalsContact C-N 3.32Å; D487-A489 PolarHBondContact O-N 3.39Å; A489-Q492 PolarHBondContact O-N 3.34Å; A489-E493 PolarHBondContact O-N 3.33Å
490	E	91.2	Very high	87.3	Confident	57 Å²	57	61.5 Å²	61.5	27%	0.266	34%	0.339	S	S	.	.	H	α-helix	trans	-67.7	-41.2	179	-163.3	-157.2	117.9	0	0	111.9	Y14 D487 Q492 E493 Y494 R510	Y14-E490 HydrophobicContact CD1-CG 3.76Å; Y14-E490 HydrophobicContact CE1-CG 3.85Å; D487-E490 PolarHBondContact O-N 3.48Å; D487-E490 VanDerWaalsContact O-N 3.15Å; E490-Q492 VanDerWaalsContact C-N 3.34Å; E490-E493 PolarHBondContact O-N 2.85Å; E490-Y494 WeakPolarHBondContact O-CB 3.49Å; E490-Y494 PolarHBondContact O-N 2.69Å; E490-R510 IonicContact OE1-CZ 2.75Å; E490-R510 IonicContact OE1-NH1 2.71Å; E490-R510 PolarHBondContact OE1-NH1 3.28Å; E490-R510 IonicContact OE1-NH2 3.16Å; E490-R510 PolarHBondContact OE1-NH2 2.79Å
491	V	93.1	Very high	87.6	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-66.8	-36.6	175.1	-179.6	0	0	0	0	111.2	V461 A464 Y475 D487 A495 L508	V461-V491 HydrophobicContact CG2-CB 4.47Å; V461-V491 HydrophobicContact CG2-CG1 3.8Å; A464-V491 HydrophobicContact CB-CG1 4.41Å; Y475-V491 HydrophobicContact CD1-CG1 4.2Å; Y475-V491 HydrophobicContact CD2-CB 4.38Å; Y475-V491 HydrophobicContact CD2-CG1 3.96Å; Y475-V491 HydrophobicContact CD2-CG2 4.01Å; Y475-V491 HydrophobicContact CE2-CB 4.21Å; Y475-V491 HydrophobicContact CE2-CG1 4.29Å; Y475-V491 HydrophobicContact CE2-CG2 3.71Å; Y475-V491 HydrophobicContact CG-CG1 3.93Å; D487-V491 WeakPolarHBondContact O-CG2 3.32Å; D487-V491 PolarHBondContact O-N 3.35Å; V491-A495 WeakPolarHBondContact O-CB 3.35Å; V491-A495 PolarHBondContact O-N 3.13Å; V491-L508 HydrophobicContact CG1-CD2 4.18Å; V491-L508 HydrophobicContact CG2-CD2 3.94Å
492	Q	93.8	Very high	88	Confident	80 Å²	80	55.6 Å²	55.6	37%	0.374	31%	0.308	S	S	.	.	H	α-helix	trans	-65.7	-42.4	174.1	-177.3	67.9	60.4	0	0	112	V461 K488 A489 E490 S496	V461-Q492 HydrophobicContact CG2-CB 4.4Å; K488-Q492 VanDerWaalsContact O-CB 3.22Å; K488-Q492 WeakPolarHBondContact O-CB 3.4Å; K488-Q492 PolarHBondContact O-N 3.01Å; A489-Q492 PolarHBondContact O-N 3.34Å; E490-Q492 VanDerWaalsContact C-N 3.34Å; Q492-S496 WeakPolarHBondContact O-CB 3.35Å; Q492-S496 PolarHBondContact O-N 2.91Å; Q492-S496 PolarHBondContact O-OG 3.48Å
493	E	93.4	Very high	88.6	Confident	55 Å²	55	52.3 Å²	52.3	26%	0.257	29%	0.294	S	S	.	.	H	α-helix	trans	-61.3	-57.6	174	-176.6	176	-165.8	0	0	110.7	Y14 H35 A489 E490 A495 S496 L497	Y14-E493 WeakPolarHBondContact OH-CG 3.29Å; Y14-E493 PolarHBondContact OH-OE1 3.2Å; Y14-E493 PolarHBondContact OH-OE2 2.72Å; H35-E493 IonicContact ND1-OE1 2.87Å; A489-E493 PolarHBondContact O-N 3.33Å; E490-E493 PolarHBondContact O-N 2.85Å; E493-A495 VanDerWaalsContact C-N 3.33Å; E493-A495 PolarHBondContact O-N 3.39Å; E493-S496 PolarHBondContact O-N 3.08Å; E493-S496 VanDerWaalsContact O-N 3.12Å; E493-S496 PolarHBondContact O-OG 3.42Å; E493-L497 HydrophobicContact CG-CD1 3.91Å; E493-L497 HydrophobicContact CG-CG 4.42Å; E493-L497 WeakPolarHBondContact O-CG 3.34Å; E493-L497 PolarHBondContact O-N 3.34Å
494	Y	95.1	Very high	90.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-46.7	-54.9	175.2	163.1	-98.5	0	0	0	111.8	V12 Y14 M38 E490 S496 L497 V498 I506 L508	V12-Y494 HydrophobicContact CG2-CE2 3.87Å; Y14-Y494 HydrophobicContact CD2-CD2 4.07Å; Y14-Y494 HydrophobicContact CG-CD2 4.04Å; Y14-Y494 HydrophobicContact CG-CG 4.47Å; M38-Y494 HydrophobicContact CE-CD2 4.19Å; M38-Y494 HydrophobicContact CE-CE2 3.92Å; M38-Y494 HydrophobicContact SD-CE2 4.47Å; E490-Y494 WeakPolarHBondContact O-CB 3.49Å; E490-Y494 PolarHBondContact O-N 2.69Å; Y494-S496 VanDerWaalsContact C-N 3.33Å; Y494-S496 PolarHBondContact O-N 3.18Å; Y494-L497 PolarHBondContact O-N 2.66Å; Y494-L497 VanDerWaalsContact O-N 3.13Å; Y494-V498 HydrophobicContact CD2-CG1 4.08Å; Y494-V498 HydrophobicContact CE1-CG2 4.07Å; Y494-V498 HydrophobicContact CE2-CG1 3.69Å; Y494-V498 HydrophobicContact CE2-CG2 4.29Å; Y494-V498 WeakPolarHBondContact O-CG2 3.48Å; Y494-V498 PolarHBondContact O-N 3.01Å; Y494-I506 WeakPolarHBondContact OH-CB 3.47Å; Y494-I506 VanDerWaalsContact OH-CG2 3.23Å; Y494-I506 WeakPolarHBondContact OH-CG2 3.08Å; Y494-L508 HydrophobicContact CD1-CD1 4.25Å; Y494-L508 HydrophobicContact CD1-CD2 3.67Å; Y494-L508 HydrophobicContact CD1-CG 4.42Å; Y494-L508 HydrophobicContact CD2-CD1 4.08Å; Y494-L508 HydrophobicContact CE1-CB 4.12Å; Y494-L508 HydrophobicContact CE1-CD1 4.27Å; Y494-L508 HydrophobicContact CE1-CD2 3.97Å; Y494-L508 HydrophobicContact CE1-CG 4.36Å; Y494-L508 HydrophobicContact CE2-CD1 4.09Å; Y494-L508 HydrophobicContact CG-CD1 4.16Å; Y494-L508 HydrophobicContact CG-CD2 4.16Å
495	A	95.8	Very high	91.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.7	-43.7	-176.6	0	0	0	0	0	110.8	V458 V461 V491 E493 L497 V498 G499 A503	V458-A495 HydrophobicContact CG1-CB 4.28Å; V458-A495 VanDerWaalsContact CG2-C 3.47Å; V458-A495 HydrophobicContact CG2-CB 3.94Å; V458-A495 WeakPolarHBondContact CG2-O 3.36Å; V461-A495 HydrophobicContact CG2-CB 4.38Å; V491-A495 WeakPolarHBondContact O-CB 3.35Å; V491-A495 PolarHBondContact O-N 3.13Å; E493-A495 VanDerWaalsContact C-N 3.33Å; E493-A495 PolarHBondContact O-N 3.39Å; A495-L497 VanDerWaalsContact C-N 3.33Å; A495-L497 PolarHBondContact O-N 2.75Å; A495-V498 PolarHBondContact O-N 2.85Å; A495-G499 WeakPolarHBondContact O-CA 3.39Å; A495-G499 PolarHBondContact O-N 2.95Å; A495-A503 HydrophobicContact CB-CB 4.07Å
496	S	94.3	Very high	93.3	Very high	52 Å²	52	41.1 Å²	41.1	36%	0.364	22%	0.224	S	C	.	.	H	α-helix	trans	-61.6	-38.3	176.8	75.5	0	0	0	0	113	R54 Q492 E493 Y494	R54-S496 PolarHBondContact NH2-O 3.29Å; Q492-S496 WeakPolarHBondContact O-CB 3.35Å; Q492-S496 PolarHBondContact O-N 2.91Å; Q492-S496 PolarHBondContact O-OG 3.48Å; E493-S496 PolarHBondContact O-N 3.08Å; E493-S496 VanDerWaalsContact O-N 3.12Å; E493-S496 PolarHBondContact O-OG 3.42Å; Y494-S496 VanDerWaalsContact C-N 3.33Å; Y494-S496 PolarHBondContact O-N 3.18Å
497	L	94.7	Very high	94.5	Very high	11 Å²	11	35.5 Å²	35.5	6%	0.058	18%	0.184	C	C	.	.	H	α-helix	trans	-73.5	-34.7	-178.7	-66.3	171.5	0	0	0	112.7	Y14 H35 R54 W56 K65 E493 Y494 A495	Y14-L497 HydrophobicContact CE2-CD1 4.23Å; H35-L497 HydrophobicContact CB-CD1 3.84Å; R54-L497 PolarHBondContact NE-O 3.39Å; W56-L497 HydrophobicContact CH2-CB 4.43Å; W56-L497 HydrophobicContact CH2-CD1 4.43Å; W56-L497 HydrophobicContact CZ2-CB 3.58Å; W56-L497 HydrophobicContact CZ2-CD1 4.36Å; W56-L497 PolarHBondContact NE1-O 3.05Å; K65-L497 HydrophobicContact CD-CD2 4.27Å; K65-L497 PolarHBondContact NZ-O 3.36Å; K65-L497 VanDerWaalsContact NZ-O 3.08Å; E493-L497 HydrophobicContact CG-CD1 3.91Å; E493-L497 HydrophobicContact CG-CG 4.42Å; E493-L497 WeakPolarHBondContact O-CG 3.34Å; E493-L497 PolarHBondContact O-N 3.34Å; Y494-L497 PolarHBondContact O-N 2.66Å; Y494-L497 VanDerWaalsContact O-N 3.13Å; A495-L497 VanDerWaalsContact C-N 3.33Å; A495-L497 PolarHBondContact O-N 2.75Å
498	V	96.2	Very high	95	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-89.1	-22.8	178.2	-53.3	0	0	0	0	114.1	M38 L51 R54 W56 Y494 A495 C502 A503	M38-V498 HydrophobicContact CE-CG1 3.75Å; L51-V498 HydrophobicContact CD2-CB 3.9Å; L51-V498 HydrophobicContact CD2-CG1 3.73Å; R54-V498 WeakPolarHBondContact CD-O 3.27Å; R54-V498 PolarHBondContact NE-O 2.8Å; W56-V498 HydrophobicContact CZ2-CG1 3.96Å; Y494-V498 HydrophobicContact CD2-CG1 4.08Å; Y494-V498 HydrophobicContact CE1-CG2 4.07Å; Y494-V498 HydrophobicContact CE2-CG1 3.69Å; Y494-V498 HydrophobicContact CE2-CG2 4.29Å; Y494-V498 WeakPolarHBondContact O-CG2 3.48Å; Y494-V498 PolarHBondContact O-N 3.01Å; A495-V498 PolarHBondContact O-N 2.85Å; V498-C502 HydrophobicContact CB-CB 3.83Å; V498-C502 HydrophobicContact CG2-CB 3.95Å; V498-C502 WeakPolarHBondContact O-CB 3.33Å; V498-A503 HydrophobicContact CG2-CB 4.03Å
499	G	96.5	Very high	95.3	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.01	17%	0.167	C	C	.	.			trans	84.7	163.1	-178	0	0	0	0	0	113.6	Q456 A495 D501 C502 A503	Q456-G499 CarbonylContact O-C 3.53Å; Q456-G499 VanDerWaalsContact O-CA 3.25Å; Q456-G499 WeakPolarHBondContact O-CA 3.34Å; A495-G499 WeakPolarHBondContact O-CA 3.39Å; A495-G499 PolarHBondContact O-N 2.95Å; G499-D501 PolarHBondContact O-N 2.87Å; G499-C502 PolarHBondContact O-N 3.42Å; G499-A503 WeakPolarHBondContact O-CB 3.39Å; G499-A503 PolarHBondContact O-N 3.23Å
500	Q	96	Very high	95.2	Very high	17 Å²	17	29.5 Å²	29.5	8%	0.079	14%	0.14	C	C	.	.	H	α-helix	trans	-56.8	-53.6	-171.9	-171.1	74.3	50.9	0	0	112.7	Q456 V458 C502 A503 E504	Q456-Q500 PolarHBondContact O-N 3.09Å; V458-Q500 VanDerWaalsContact CA-OE1 3.23Å; Q500-C502 VanDerWaalsContact C-N 3.33Å; Q500-C502 PolarHBondContact O-N 2.94Å; Q500-A503 PolarHBondContact O-N 3.36Å; Q500-A503 VanDerWaalsContact O-N 3.12Å; Q500-E504 PolarHBondContact NE2-OE1 3.14Å; Q500-E504 PolarHBondContact O-N 3.24Å
501	D	95.7	Very high	94.7	Very high	88 Å²	88	31 Å²	31	47%	0.471	16%	0.157	S	C	.	.	H	α-helix	trans	-60.2	-40.5	-176.8	-71.2	-10	0	0	0	112.6	Q456 G499 R505	Q456-D501 PolarHBondContact NE2-OD2 3.45Å; Q456-D501 PolarHBondContact OE1-OD1 3.35Å; Q456-D501 PolarHBondContact OE1-OD2 2.89Å; G499-D501 PolarHBondContact O-N 2.87Å; D501-R505 WeakPolarHBondContact O-CB 3.48Å; D501-R505 PolarHBondContact O-N 3.26Å
502	C	96.8	Very high	94.8	Very high	4 Å²	4	32.5 Å²	32.5	3%	0.027	16%	0.164	C	C	.	.	H	α-helix	trans	-71	-39.1	175	-74.8	0	0	0	0	112.1	V498 G499 Q500 E504 R505 I506	V498-C502 HydrophobicContact CB-CB 3.83Å; V498-C502 HydrophobicContact CG2-CB 3.95Å; V498-C502 WeakPolarHBondContact O-CB 3.33Å; G499-C502 PolarHBondContact O-N 3.42Å; Q500-C502 VanDerWaalsContact C-N 3.33Å; Q500-C502 PolarHBondContact O-N 2.94Å; C502-E504 PolarHBondContact O-N 2.78Å; C502-R505 PolarHBondContact O-N 3.37Å; C502-I506 HydrophobicContact CB-CD1 3.9Å; C502-I506 HydrophobicContact CB-CG1 4.41Å; C502-I506 VanDerWaalsContact O-CB 3.26Å; C502-I506 WeakPolarHBondContact O-CB 3.49Å; C502-I506 WeakPolarHBondContact O-CG1 3.13Å; C502-I506 PolarHBondContact O-N 3.13Å
503	A	97.2	Very high	94.8	Very high	1 Å²	1	30 Å²	30	1%	0.008	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-31.8	177.6	0	0	0	0	0	112.3	A464 L465 A495 V498 G499 Q500	A464-A503 CarbonylContact C-O 3.57Å; A464-A503 VanDerWaalsContact CA-O 3.27Å; A464-A503 WeakPolarHBondContact CA-O 3.16Å; A464-A503 HydrophobicContact CB-CB 4.23Å; L465-A503 PolarHBondContact N-O 3.18Å; A495-A503 HydrophobicContact CB-CB 4.07Å; V498-A503 HydrophobicContact CG2-CB 4.03Å; G499-A503 WeakPolarHBondContact O-CB 3.39Å; G499-A503 PolarHBondContact O-N 3.23Å; Q500-A503 PolarHBondContact O-N 3.36Å; Q500-A503 VanDerWaalsContact O-N 3.12Å
504	E	96.5	Very high	94.9	Very high	55 Å²	55	28.6 Å²	28.6	26%	0.257	15%	0.148	S	C	.	.	H	α-helix	trans	-84.4	-11.2	176.3	-69.1	-169	-154.6	0	0	114.7	R463 L465 Q500 C502	R463-E504 HydrophobicContact CB-CG 4.08Å; R463-E504 IonicContact CZ-OE1 3.27Å; R463-E504 IonicContact CZ-OE2 3.93Å; R463-E504 IonicContact NE-OE1 3.86Å; R463-E504 PolarHBondContact NE-OE1 2.99Å; R463-E504 VanDerWaalsContact NE-OE1 3.14Å; R463-E504 IonicContact NE-OE2 2.65Å; R463-E504 IonicContact NH1-OE1 3.15Å; R463-E504 PolarHBondContact NH1-OE1 2.7Å; R463-E504 IonicContact NH1-OE2 3.52Å; R463-E504 VanDerWaalsContact NH2-CD 3.31Å; R463-E504 IonicContact NH2-OE1 3.56Å; R463-E504 PolarHBondContact NH2-OE1 3.07Å; R463-E504 IonicContact NH2-OE2 2.63Å; R463-E504 PolarHBondContact NH2-OE2 3.27Å; L465-E504 WeakPolarHBondContact CD1-O 3.23Å; L465-E504 WeakPolarHBondContact CG-O 3.39Å; Q500-E504 PolarHBondContact NE2-OE1 3.14Å; Q500-E504 PolarHBondContact O-N 3.24Å; C502-E504 PolarHBondContact O-N 2.78Å
505	R	96.4	Very high	94.9	Very high	91 Å²	91	30.3 Å²	30.3	34%	0.343	16%	0.156	S	C	.	.	H	α-helix	trans	-113	-37.2	-177.6	-167.5	172.8	65.9	-150.8	-8.5	113.6	D47 D50 D501 C502	D47-R505 IonicContact OD1-CZ 3.28Å; D47-R505 IonicContact OD1-NE 2.69Å; D47-R505 PolarHBondContact OD1-NE 3Å; D47-R505 IonicContact OD1-NH2 2.89Å; D47-R505 PolarHBondContact OD1-NH2 2.88Å; D47-R505 IonicContact OD2-NE 3.07Å; D50-R505 IonicContact OD2-CZ 2.59Å; D50-R505 IonicContact OD2-NH1 3.14Å; D50-R505 PolarHBondContact OD2-NH1 3.16Å; D50-R505 IonicContact OD2-NH2 2.76Å; D50-R505 PolarHBondContact OD2-NH2 2.86Å; D501-R505 WeakPolarHBondContact O-CB 3.48Å; D501-R505 PolarHBondContact O-N 3.26Å; C502-R505 PolarHBondContact O-N 3.37Å
506	I	97.6	Very high	94.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-81.9	130.8	-179.8	-60.7	178.7	0	0	0	110.1	T10 V12 D47 L51 Y494 C502 L508	T10-I506 HydrophobicContact CG2-CB 4.29Å; T10-I506 HydrophobicContact CG2-CD1 4.08Å; T10-I506 HydrophobicContact CG2-CG1 3.85Å; T10-I506 HydrophobicContact CG2-CG2 3.71Å; V12-I506 HydrophobicContact CB-CG2 4.34Å; V12-I506 HydrophobicContact CG1-CG2 3.91Å; V12-I506 HydrophobicContact CG2-CG2 3.54Å; D47-I506 HydrophobicContact CB-CD1 4.19Å; D47-I506 HydrophobicContact CB-CG1 4.26Å; D47-I506 VanDerWaalsContact OD1-CG1 3.29Å; D47-I506 WeakPolarHBondContact OD1-CG1 3.36Å; L51-I506 HydrophobicContact CD1-CD1 4.06Å; L51-I506 HydrophobicContact CG-CD1 4.44Å; Y494-I506 WeakPolarHBondContact OH-CB 3.47Å; Y494-I506 VanDerWaalsContact OH-CG2 3.23Å; Y494-I506 WeakPolarHBondContact OH-CG2 3.08Å; C502-I506 HydrophobicContact CB-CD1 3.9Å; C502-I506 HydrophobicContact CB-CG1 4.41Å; C502-I506 VanDerWaalsContact O-CB 3.26Å; C502-I506 WeakPolarHBondContact O-CB 3.49Å; C502-I506 WeakPolarHBondContact O-CG1 3.13Å; C502-I506 PolarHBondContact O-N 3.13Å; I506-L508 PolarHBondContact O-N 3.09Å
507	L	97.9	Very high	94.9	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	105.1	177.5	-55.1	-174.2	0	0	0	110.6	Y9 T10 I11 V12 L465 L467 V472 Y509	Y9-L507 HydrophobicContact CD1-CD1 3.84Å; Y9-L507 HydrophobicContact CD1-CD2 4.32Å; Y9-L507 HydrophobicContact CD1-CG 4.07Å; Y9-L507 HydrophobicContact CG-CD1 3.84Å; Y9-L507 HydrophobicContact CG-CG 4.44Å; T10-L507 WeakPolarHBondContact O-CB 3.33Å; T10-L507 PolarHBondContact O-N 3.34Å; I11-L507 WeakPolarHBondContact CA-O 3.35Å; I11-L507 HydrophobicContact CG1-CB 4.25Å; I11-L507 HydrophobicContact CG1-CD1 4.2Å; V12-L507 PolarHBondContact N-O 2.89Å; V12-L507 VanDerWaalsContact N-O 3.07Å; L465-L507 HydrophobicContact CB-CD2 3.86Å; L465-L507 HydrophobicContact CD1-CD2 3.78Å; L465-L507 HydrophobicContact CG-CD2 4.48Å; L467-L507 HydrophobicContact CB-CB 4.16Å; V472-L507 HydrophobicContact CG1-CD2 3.68Å; V472-L507 HydrophobicContact CG2-CD1 3.8Å; V472-L507 HydrophobicContact CG2-CD2 4.02Å; L507-Y509 PolarHBondContact O-N 3.35Å
508	L	96.8	Very high	94.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	111.5	173.4	-178.1	61.9	0	0	0	110	V12 L465 V466 L467 V491 Y494 I506	V12-L508 HydrophobicContact CG2-CD1 4.31Å; L465-L508 WeakPolarHBondContact O-CB 3.44Å; L465-L508 PolarHBondContact O-N 3.12Å; V466-L508 CarbonylContact C-O 3.59Å; V466-L508 WeakPolarHBondContact CA-O 3.33Å; L467-L508 PolarHBondContact N-O 3.24Å; V491-L508 HydrophobicContact CG1-CD2 4.18Å; V491-L508 HydrophobicContact CG2-CD2 3.94Å; Y494-L508 HydrophobicContact CD1-CD1 4.25Å; Y494-L508 HydrophobicContact CD1-CD2 3.67Å; Y494-L508 HydrophobicContact CD1-CG 4.42Å; Y494-L508 HydrophobicContact CD2-CD1 4.08Å; Y494-L508 HydrophobicContact CE1-CB 4.12Å; Y494-L508 HydrophobicContact CE1-CD1 4.27Å; Y494-L508 HydrophobicContact CE1-CD2 3.97Å; Y494-L508 HydrophobicContact CE1-CG 4.36Å; Y494-L508 HydrophobicContact CE2-CD1 4.09Å; Y494-L508 HydrophobicContact CG-CD1 4.16Å; Y494-L508 HydrophobicContact CG-CD2 4.16Å; I506-L508 PolarHBondContact O-N 3.09Å
509	Y	95.5	Very high	94.8	Very high	81 Å²	81	34.7 Å²	34.7	32%	0.318	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	132.2	178.4	179.3	-110.8	0	0	0	111.2	V12 E13 L467 L507	V12-Y509 WeakPolarHBondContact O-CB 3.46Å; V12-Y509 PolarHBondContact O-N 3.4Å; E13-Y509 HydrophobicContact CB-CD1 4.23Å; E13-Y509 HydrophobicContact CG-CD1 4.1Å; L467-Y509 HydrophobicContact CD2-CD2 4.44Å; L467-Y509 HydrophobicContact CG-CD2 4.45Å; L507-Y509 PolarHBondContact O-N 3.35Å
510	R	89.8	Confident	94.7	Very high	20 Å²	20	37.5 Å²	37.5	8%	0.075	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	120.2	173.3	-64.6	-62.6	-178	-147.1	18.6	109.5	V466 L467 H468 Y478 E490	V466-R510 HydrophobicContact CG1-CB 3.94Å; V466-R510 HydrophobicContact CG1-CG 3.67Å; L467-R510 PolarHBondContact O-N 3.12Å; H468-R510 PolarHBondContact ND1-O 2.89Å; Y478-R510 HydrophobicContact CE2-CB 4.09Å; E490-R510 IonicContact OE1-CZ 2.75Å; E490-R510 IonicContact OE1-NH1 2.71Å; E490-R510 PolarHBondContact OE1-NH1 3.28Å; E490-R510 IonicContact OE1-NH2 3.16Å; E490-R510 PolarHBondContact OE1-NH2 2.79Å
511	S	79.9	Confident	94.6	Very high	88 Å²	88	39.4 Å²	39.4	62%	0.615	20%	0.195	S	C	*	.			trans	-66	0	-179.4	50.1	0	0	0	0	113.9	H468 R485	H468-S511 VanDerWaalsContact CE1-C 3.47Å; H468-S511 PolarHBondContact CE1-O 2.92Å; H468-S511 PolarHBondContact CE1-OXT 2.63Å; H468-S511 VanDerWaalsContact CE1-OXT 3.29Å; H468-S511 PolarHBondContact ND1-O 3.1Å; R485-S511 PolarHBondContact NH1-O 2.98Å; R485-S511 PolarHBondContact NH2-O 3.16Å

Retrieved 511 of 511 residues in 326.4 ms (Link to these results)

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