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Tubulin beta chain

Tubulin is the major constituent of microtubules, a cylinder consisting of laterally associated linear protofilaments composed of alpha- and beta-tubulin heterodimers. Microtubules grow by the addition of GTP-tubulin dimers to the microtubule end, where a stabilizing cap forms. Below the cap, tubulin dimers are in GDP-bound state, owing to GTPase activity of alpha-tubulin.

AlphaFold DB , UniProt , Accession A0A087X561, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 372 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	73.4	Confident	86.6	Confident	90 Å²	90	96.5 Å²	96.5	44%	0.443	54%	0.537	S	S	.	.				0	-45.5	0	-70.1	-51.5	-145.2	0	0	113.3	S3 V4 R5 F18 V19 F20	M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 2.94Å; M1-V4 WeakPolarHBondContact O-CB 2.86Å; M1-V4 PolarHBondContact O-N 3.2Å; M1-R5 PolarHBondContact O-N 3.19Å; M1-R5 VanDerWaalsContact O-N 3.11Å; M1-F18 HydrophobicContact CE-CB 3.97Å; M1-F18 HydrophobicContact CE-CD1 3.59Å; M1-F18 HydrophobicContact CE-CG 4.26Å; M1-F18 HydrophobicContact SD-CD1 3.69Å; M1-F18 HydrophobicContact SD-CE1 4.28Å; M1-V19 WeakPolarHBondContact CE-O 3.29Å; M1-F20 HydrophobicContact CE-CB 4.04Å; M1-F20 HydrophobicContact CE-CD1 4.3Å; M1-F20 HydrophobicContact CG-CB 3.93Å; M1-F20 HydrophobicContact CG-CD1 4.06Å; M1-F20 HydrophobicContact CG-CG 4.06Å
2	D	83.3	Confident	87.3	Confident	114 Å²	114	99.3 Å²	99.3	61%	0.61	55%	0.547	S	S	*	.	H	α-helix	trans	-63.5	-33.8	-175.1	-58.6	-29.4	0	0	0	113.8	V4 R5 S6	D2-V4 VanDerWaalsContact C-N 3.27Å; D2-V4 PolarHBondContact O-N 2.92Å; D2-R5 PolarHBondContact O-N 3.37Å; D2-R5 IonicContact OD1-CZ 2.86Å; D2-R5 IonicContact OD1-NE 2.75Å; D2-R5 PolarHBondContact OD1-NE 3.36Å; D2-R5 IonicContact OD1-NH2 3.94Å; D2-R5 PolarHBondContact OD1-NH2 3.47Å; D2-S6 WeakPolarHBondContact O-CB 3.25Å; D2-S6 PolarHBondContact O-N 3.5Å; D2-S6 PolarHBondContact O-OG 3.35Å; D2-S6 VanDerWaalsContact O-OG 3.04Å
3	S	86.2	Confident	87.7	Confident	103 Å²	103	100 Å²	100	72%	0.72	54%	0.542	S	S	*	.	H	α-helix	trans	-62.7	-29.7	172.4	-44.2	0	0	0	0	113.8	M1 S6 G7	M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 2.94Å; S3-S6 WeakPolarHBondContact CA-OG 3.29Å; S3-S6 PolarHBondContact O-OG 3.06Å; S3-G7 PolarHBondContact O-N 3.2Å
4	V	87.3	Confident	87.9	Confident	71 Å²	71	103.3 Å²	103.3	43%	0.43	54%	0.543	S	S	.	.	H	α-helix	trans	-77.1	-43.8	176.4	178.1	0	0	0	0	109.6	M1 D2 S6 G7 G10 F13 F18	M1-V4 WeakPolarHBondContact O-CB 2.86Å; M1-V4 PolarHBondContact O-N 3.2Å; D2-V4 VanDerWaalsContact C-N 3.27Å; D2-V4 PolarHBondContact O-N 2.92Å; V4-S6 VanDerWaalsContact C-N 3.33Å; V4-S6 PolarHBondContact O-N 3.16Å; V4-G7 PolarHBondContact O-N 2.81Å; V4-G7 VanDerWaalsContact O-N 3.11Å; V4-G10 WeakPolarHBondContact O-CA 3.45Å; V4-F13 HydrophobicContact CG1-CD2 4.46Å; V4-F13 HydrophobicContact CG1-CE2 4.3Å; V4-F18 HydrophobicContact CG1-CE1 4.24Å
5	R	85.9	Confident	88.1	Confident	95 Å²	95	103.4 Å²	103.4	36%	0.358	55%	0.552	S	S	.	*	H	α-helix	trans	-65.6	-33.7	179.1	-69.6	-169.2	-83	-148.9	-2.3	113.2	M1 D2 G7 Q11 F18	M1-R5 PolarHBondContact O-N 3.19Å; M1-R5 VanDerWaalsContact O-N 3.11Å; D2-R5 PolarHBondContact O-N 3.37Å; D2-R5 IonicContact OD1-CZ 2.86Å; D2-R5 IonicContact OD1-NE 2.75Å; D2-R5 PolarHBondContact OD1-NE 3.36Å; D2-R5 IonicContact OD1-NH2 3.94Å; D2-R5 PolarHBondContact OD1-NH2 3.47Å; R5-G7 VanDerWaalsContact C-N 3.31Å; R5-Q11 PolarHBondContact O-NE2 3.18Å; R5-F18 HydrophobicContact CG-CE1 4.25Å; R5-F18 HydrophobicContact CG-CZ 4.2Å
6	S	89.7	Confident	88.3	Confident	98 Å²	98	104.1 Å²	104.1	69%	0.685	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-8.7	174.7	66.7	0	0	0	0	113.7	D2 S3 V4	D2-S6 WeakPolarHBondContact O-CB 3.25Å; D2-S6 PolarHBondContact O-N 3.5Å; D2-S6 PolarHBondContact O-OG 3.35Å; D2-S6 VanDerWaalsContact O-OG 3.04Å; S3-S6 WeakPolarHBondContact CA-OG 3.29Å; S3-S6 PolarHBondContact O-OG 3.06Å; V4-S6 VanDerWaalsContact C-N 3.33Å; V4-S6 PolarHBondContact O-N 3.16Å
7	G	89.5	Confident	88.5	Confident	25 Å²	25	101.6 Å²	101.6	26%	0.258	54%	0.543	S	S	.	.	S	Bend	trans	-65.9	164.8	177.5	0	0	0	0	0	112.8	S3 V4 R5 F9 G10	S3-G7 PolarHBondContact O-N 3.2Å; V4-G7 PolarHBondContact O-N 2.81Å; V4-G7 VanDerWaalsContact O-N 3.11Å; R5-G7 VanDerWaalsContact C-N 3.31Å; G7-F9 PolarHBondContact O-N 3.16Å; G7-G10 PolarHBondContact O-N 3.44Å
8	P	90.6	Very high	88.7	Confident	135 Å²	135	97.9 Å²	97.9	88%	0.877	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.4	-174.3	-26.4	34.3	0	0	0	114.9
9	F	90.8	Very high	88.9	Confident	158 Å²	158	94.8 Å²	94.8	69%	0.693	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	16.3	178.6	-64.6	-77.7	0	0	0	112.6	G7 Q11 I12	G7-F9 PolarHBondContact O-N 3.16Å; F9-Q11 PolarHBondContact O-N 3.19Å; F9-Q11 VanDerWaalsContact O-N 3.09Å; F9-I12 HydrophobicContact CB-CG2 4.4Å; F9-I12 WeakPolarHBondContact O-CG2 3.42Å; F9-I12 PolarHBondContact O-N 2.85Å; F9-I12 VanDerWaalsContact O-N 3.07Å
10	G	86	Confident	89	Confident	4 Å²	4	96 Å²	96	4%	0.041	51%	0.507	C	S	.	.	G	3₁₀ helix	trans	-59.4	-26.8	-174.6	0	0	0	0	0	114.5	V4 G7 I12	V4-G10 WeakPolarHBondContact O-CA 3.45Å; G7-G10 PolarHBondContact O-N 3.44Å; G10-I12 VanDerWaalsContact C-N 3.33Å; G10-I12 PolarHBondContact O-N 2.7Å
11	Q	90.1	Very high	89	Confident	169 Å²	169	93.3 Å²	93.3	79%	0.79	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-81.2	-7.2	-179.2	-56.6	-59.3	-38.5	0	0	114.1	R5 F9	R5-Q11 PolarHBondContact O-NE2 3.18Å; F9-Q11 PolarHBondContact O-N 3.19Å; F9-Q11 VanDerWaalsContact O-N 3.09Å
12	I	94.7	Very high	89.5	Confident	129 Å²	129	99 Å²	99	66%	0.662	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-77.9	-24.8	178.4	-155.2	173.3	0	0	0	112.3	F9 G10	F9-I12 HydrophobicContact CB-CG2 4.4Å; F9-I12 WeakPolarHBondContact O-CG2 3.42Å; F9-I12 PolarHBondContact O-N 2.85Å; F9-I12 VanDerWaalsContact O-N 3.07Å; G10-I12 VanDerWaalsContact C-N 3.33Å; G10-I12 PolarHBondContact O-N 2.7Å
13	F	92.3	Very high	89.7	Confident	109 Å²	109	96.5 Å²	96.5	48%	0.478	52%	0.519	S	S	.	.	S	Bend	trans	-77.8	136.1	-175.7	-63.3	-74.1	0	0	0	110.5	V4 P15 F18	V4-F13 HydrophobicContact CG1-CD2 4.46Å; V4-F13 HydrophobicContact CG1-CE2 4.3Å; F13-P15 WeakPolarHBondContact O-CD 3.38Å; F13-F18 HydrophobicContact CB-CE2 3.46Å; F13-F18 VanDerWaalsContact CB-CE2 3.46Å; F13-F18 HydrophobicContact CB-CZ 3.48Å; F13-F18 VanDerWaalsContact CB-CZ 3.48Å; F13-F18 HydrophobicContact CD2-CZ 4.28Å; F13-F18 HydrophobicContact CG-CZ 4.09Å
14	R	91.5	Very high	89.6	Confident	146 Å²	146	94.1 Å²	94.1	55%	0.551	51%	0.51	S	S	*	.			trans	-61.5	125	174.4	-72.6	-177.6	179.6	161.1	0	109.5	D16 N17 F18 E51	R14-D16 PolarHBondContact O-N 3.27Å; R14-N17 HydrophobicContact CB-CB 4.35Å; R14-N17 PolarHBondContact O-N 3.17Å; R14-F18 VanDerWaalsContact O-CD2 3.29Å; R14-F18 WeakPolarHBondContact O-CD2 3.47Å; R14-E51 IonicContact CZ-OE1 3.84Å; R14-E51 IonicContact NH1-OE1 3.1Å; R14-E51 PolarHBondContact NH1-OE1 3.09Å; R14-E51 IonicContact NH1-OE2 3.27Å; R14-E51 PolarHBondContact NH1-OE2 3.29Å; R14-E51 VanDerWaalsContact NH1-OE2 3.1Å
15	P	90.2	Very high	89.6	Confident	105 Å²	105	90.9 Å²	90.9	68%	0.682	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-54.9	-36	178.2	-29	37	0	0	0	113.5	F13 N17 F18	F13-P15 WeakPolarHBondContact O-CD 3.38Å; P15-N17 PolarHBondContact O-N 3.12Å; P15-F18 WeakPolarHBondContact O-CB 3.44Å; P15-F18 PolarHBondContact O-N 2.98Å
16	D	90.9	Very high	89.7	Confident	115 Å²	115	89.2 Å²	89.2	62%	0.615	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-64.6	-22.4	179.3	-61.3	-5.5	0	0	0	113.2	R14 F18	R14-D16 PolarHBondContact O-N 3.27Å; D16-F18 VanDerWaalsContact C-N 3.28Å; D16-F18 PolarHBondContact O-N 3.09Å
17	N	93	Very high	89.8	Confident	62 Å²	62	87.8 Å²	87.8	33%	0.332	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-87.9	0.6	-178.1	-62.3	18.3	0	0	0	111.9	R14 P15 V19 V47 E51	R14-N17 HydrophobicContact CB-CB 4.35Å; R14-N17 PolarHBondContact O-N 3.17Å; P15-N17 PolarHBondContact O-N 3.12Å; N17-V19 PolarHBondContact O-N 2.88Å; N17-V47 HydrophobicContact CB-CG1 4.18Å; N17-E51 PolarHBondContact ND2-OE1 2.95Å; N17-E51 PolarHBondContact OD1-OE1 2.82Å
18	F	91.9	Very high	89.9	Confident	34 Å²	34	87 Å²	87	15%	0.149	48%	0.478	C	S	.	.			trans	-88.3	93.3	174.7	-71.8	-90.7	0	0	0	110.6	M1 V4 R5 F13 R14 P15 D16	M1-F18 HydrophobicContact CE-CB 3.97Å; M1-F18 HydrophobicContact CE-CD1 3.59Å; M1-F18 HydrophobicContact CE-CG 4.26Å; M1-F18 HydrophobicContact SD-CD1 3.69Å; M1-F18 HydrophobicContact SD-CE1 4.28Å; V4-F18 HydrophobicContact CG1-CE1 4.24Å; R5-F18 HydrophobicContact CG-CE1 4.25Å; R5-F18 HydrophobicContact CG-CZ 4.2Å; F13-F18 HydrophobicContact CB-CE2 3.46Å; F13-F18 VanDerWaalsContact CB-CE2 3.46Å; F13-F18 HydrophobicContact CB-CZ 3.48Å; F13-F18 VanDerWaalsContact CB-CZ 3.48Å; F13-F18 HydrophobicContact CD2-CZ 4.28Å; F13-F18 HydrophobicContact CG-CZ 4.09Å; R14-F18 VanDerWaalsContact O-CD2 3.29Å; R14-F18 WeakPolarHBondContact O-CD2 3.47Å; P15-F18 WeakPolarHBondContact O-CB 3.44Å; P15-F18 PolarHBondContact O-N 2.98Å; D16-F18 VanDerWaalsContact C-N 3.28Å; D16-F18 PolarHBondContact O-N 3.09Å
19	V	92.6	Very high	90.2	Very high	39 Å²	39	80.7 Å²	80.7	24%	0.236	44%	0.437	C	S	.	.			trans	-95.4	124.9	171.6	-174.9	0	0	0	0	109.2	M1 N17 L40 V44 V47	M1-V19 WeakPolarHBondContact CE-O 3.29Å; N17-V19 PolarHBondContact O-N 2.88Å; V19-L40 HydrophobicContact CG1-CD1 3.62Å; V19-L40 HydrophobicContact CG1-CD2 4.4Å; V19-L40 HydrophobicContact CG1-CG 3.93Å; V19-V44 HydrophobicContact CB-CG2 3.96Å; V19-V44 HydrophobicContact CG1-CG2 3.65Å; V19-V44 HydrophobicContact CG2-CG2 4.42Å; V19-V47 HydrophobicContact CG2-CG2 3.83Å
20	F	91.1	Very high	90.3	Very high	119 Å²	119	73.2 Å²	73.2	52%	0.522	40%	0.404	S	S	.	.			trans	-147.7	141.1	179	60.8	-85.3	0	0	0	111.5	M1	M1-F20 HydrophobicContact CE-CB 4.04Å; M1-F20 HydrophobicContact CE-CD1 4.3Å; M1-F20 HydrophobicContact CG-CB 3.93Å; M1-F20 HydrophobicContact CG-CD1 4.06Å; M1-F20 HydrophobicContact CG-CG 4.06Å
21	G	87.9	Confident	90.7	Very high	40 Å²	40	76.2 Å²	76.2	41%	0.412	42%	0.416	S	S	.	.			trans	-83.4	167.3	170.8	0	0	0	0	0	112.3
22	Q	84.4	Confident	90.8	Very high	210 Å²	210	68.2 Å²	68.2	98%	0.981	38%	0.379	S	S	*	.	S	Bend	trans	-85.5	-25.7	172.2	-62.9	-174.7	3.2	0	0	112.2
23	S	86.2	Confident	90.8	Very high	61 Å²	61	62.9 Å²	62.9	43%	0.427	35%	0.351	S	S	.	.	S	Bend	trans	-100.3	152.1	179.3	-168.1	0	0	0	0	110.6	E36	S23-E36 VanDerWaalsContact CB-CD 3.42Å; S23-E36 VanDerWaalsContact CB-OE1 3.25Å; S23-E36 WeakPolarHBondContact CB-OE1 3.48Å; S23-E36 VanDerWaalsContact CB-OE2 3.24Å; S23-E36 WeakPolarHBondContact CB-OE2 3.3Å; S23-E36 PolarHBondContact OG-OE1 3.41Å
24	G	86	Confident	90.8	Very high	52 Å²	52	62.4 Å²	62.4	54%	0.536	35%	0.347	S	S	.	.			trans	-110.3	148.7	175	0	0	0	0	0	110.8	G26	G24-G26 PolarHBondContact O-N 2.99Å; G24-G26 VanDerWaalsContact O-N 3.15Å
25	A	86.4	Confident	90.8	Very high	4 Å²	4	57.4 Å²	57.4	3%	0.033	33%	0.333	C	S	.	.			trans	-69.6	-10.3	-179.3	0	0	0	0	0	114.2	N27 N28 K31 T71	A25-N27 PolarHBondContact O-N 3.33Å; A25-N28 WeakPolarHBondContact O-CB 3.46Å; A25-N28 PolarHBondContact O-N 2.94Å; A25-K31 HydrophobicContact CB-CB 4.29Å; A25-T71 VanDerWaalsContact CB-OG1 3.3Å; A25-T71 WeakPolarHBondContact CB-OG1 3.45Å
26	G	88.3	Confident	90.8	Very high	60 Å²	60	55.9 Å²	55.9	62%	0.619	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	39.4	172.7	0	0	0	0	0	115	G24 N28	G24-G26 PolarHBondContact O-N 2.99Å; G24-G26 VanDerWaalsContact O-N 3.15Å; G26-N28 PolarHBondContact O-N 2.89Å
27	N	90.6	Very high	90.7	Very high	68 Å²	68	50.6 Å²	50.6	36%	0.364	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	25.9	-174.3	-63.3	-26	0	0	0	114.7	A25 T106 V108 N112	A25-N27 PolarHBondContact O-N 3.33Å; N27-T106 HydrophobicContact CB-CG2 4.02Å; N27-T106 PolarHBondContact ND2-OG1 3.46Å; N27-V108 HydrophobicContact CB-CG2 4.21Å; N27-V108 WeakPolarHBondContact O-CG2 3.28Å; N27-N112 PolarHBondContact O-ND2 3.39Å
28	N	92.9	Very high	90.6	Very high	7 Å²	7	49.4 Å²	49.4	4%	0.037	29%	0.288	C	S	.	.			trans	-110.6	115.6	175.2	-174.6	-22.8	0	0	0	110.1	A25 G26 A30 K31 G32 G70 W325 Y326	A25-N28 WeakPolarHBondContact O-CB 3.46Å; A25-N28 PolarHBondContact O-N 2.94Å; G26-N28 PolarHBondContact O-N 2.89Å; N28-A30 WeakPolarHBondContact OD1-CB 3.31Å; N28-A30 PolarHBondContact OD1-N 2.8Å; N28-K31 HydrophobicContact CB-CB 4.14Å; N28-K31 HydrophobicContact CB-CD 4.27Å; N28-K31 HydrophobicContact CB-CG 4.07Å; N28-K31 PolarHBondContact O-N 3.41Å; N28-K31 PolarHBondContact OD1-N 3.27Å; N28-G32 PolarHBondContact O-N 3.32Å; N28-G70 WeakPolarHBondContact O-CA 2.8Å; N28-W325 PolarHBondContact ND2-O 3.35Å; N28-Y326 WeakPolarHBondContact OD1-CD1 2.83Å
29	W	95.4	Very high	90.6	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.015	32%	0.315	C	S	.	.	H	α-helix	trans	-61.2	-42.5	176.9	-177	97.7	0	0	0	112.5	K31 G32 H33 Y34 G74 N112 L115 S116 Q119 Y326 M331	W29-K31 VanDerWaalsContact C-N 3.28Å; W29-K31 PolarHBondContact O-N 3.1Å; W29-G32 CarbonylContact O-C 3.25Å; W29-G32 WeakPolarHBondContact O-CA 3.25Å; W29-G32 PolarHBondContact O-N 3.21Å; W29-H33 HydrophobicContact CD2-CB 4.15Å; W29-H33 HydrophobicContact CE3-CB 3.95Å; W29-H33 HydrophobicContact CH2-CB 3.78Å; W29-H33 AromaticContact CH2-CD2 3.47Å; W29-H33 VanDerWaalsContact CH2-CD2 3.47Å; W29-H33 WeakPolarHBondContact CH2-CD2 3.39Å; W29-H33 AromaticContact CH2-CG 3.39Å; W29-H33 AromaticContact CH2-ND1 3.8Å; W29-H33 AromaticContact CH2-NE2 3.92Å; W29-H33 HydrophobicContact CZ2-CB 3.99Å; W29-H33 AromaticContact CZ2-CE1 3.97Å; W29-H33 AromaticContact CZ2-CG 3.59Å; W29-H33 AromaticContact CZ2-ND1 3.55Å; W29-H33 HydrophobicContact CZ3-CB 3.77Å; W29-H33 AromaticContact CZ3-CG 3.88Å; W29-H33 WeakPolarHBondContact O-CB 3.47Å; W29-H33 PolarHBondContact O-N 3.34Å; W29-Y34 HydrophobicContact CH2-CE2 4.48Å; W29-Y34 HydrophobicContact CZ3-CD2 4.42Å; W29-Y34 AromaticContact CZ3-CE2 3.82Å; W29-Y34 HydrophobicContact CZ3-CE2 3.82Å; W29-G74 VanDerWaalsContact CD1-CA 3.42Å; W29-G74 VanDerWaalsContact CD1-N 3.32Å; W29-N112 HydrophobicContact CB-CB 4.23Å; W29-N112 WeakPolarHBondContact CB-OD1 3.41Å; W29-N112 PolarHBondContact N-OD1 2.91Å; W29-L115 HydrophobicContact CB-CD1 4.27Å; W29-L115 HydrophobicContact CD2-CB 3.81Å; W29-L115 HydrophobicContact CD2-CD1 3.89Å; W29-L115 HydrophobicContact CD2-CG 4.5Å; W29-L115 HydrophobicContact CE3-CB 4.21Å; W29-L115 HydrophobicContact CE3-CD1 3.7Å; W29-L115 HydrophobicContact CG-CB 4.12Å; W29-L115 HydrophobicContact CG-CD1 4.15Å; W29-L115 HydrophobicContact CZ2-CB 4.19Å; W29-L115 HydrophobicContact CZ3-CD1 4.34Å; W29-S116 VanDerWaalsContact CD1-OG 3.28Å; W29-S116 PolarHBondContact NE1-OG 3.37Å; W29-Q119 HydrophobicContact CZ2-CG 4.18Å; W29-Y326 HydrophobicContact CB-CE1 4.09Å; W29-M331 HydrophobicContact CE3-SD 4.25Å; W29-M331 HydrophobicContact CZ3-CE 4.37Å; W29-M331 HydrophobicContact CZ3-SD 4.19Å
30	A	94.3	Very high	90.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62.8	-36.3	-178.9	0	0	0	0	0	111.7	N28 G32 H33 Y34 Y326 E329 M331	N28-A30 WeakPolarHBondContact OD1-CB 3.31Å; N28-A30 PolarHBondContact OD1-N 2.8Å; A30-G32 PolarHBondContact O-N 3.15Å; A30-H33 PolarHBondContact O-N 3.06Å; A30-Y34 HydrophobicContact CB-CD2 4.31Å; A30-Y34 WeakPolarHBondContact O-CB 3.43Å; A30-Y34 PolarHBondContact O-N 3.33Å; A30-Y326 HydrophobicContact CB-CD1 3.96Å; A30-E329 HydrophobicContact CB-CB 3.9Å; A30-E329 HydrophobicContact CB-CG 4.4Å; A30-M331 HydrophobicContact CB-CB 4.33Å; A30-M331 HydrophobicContact CB-SD 4.24Å
31	K	93.6	Very high	90.7	Very high	67 Å²	67	49.8 Å²	49.8	29%	0.291	29%	0.29	S	S	.	.	H	α-helix	trans	-62	-43.4	171.5	-75.9	-167.5	169.2	-168.4	0	113.1	A25 N28 W29 H33 T35 E36 G37 E329	A25-K31 HydrophobicContact CB-CB 4.29Å; N28-K31 HydrophobicContact CB-CB 4.14Å; N28-K31 HydrophobicContact CB-CD 4.27Å; N28-K31 HydrophobicContact CB-CG 4.07Å; N28-K31 PolarHBondContact O-N 3.41Å; N28-K31 PolarHBondContact OD1-N 3.27Å; W29-K31 VanDerWaalsContact C-N 3.28Å; W29-K31 PolarHBondContact O-N 3.1Å; K31-H33 VanDerWaalsContact C-N 3.3Å; K31-T35 VanDerWaalsContact CA-OG1 3.31Å; K31-T35 WeakPolarHBondContact CA-OG1 3.39Å; K31-T35 PolarHBondContact O-N 3.36Å; K31-T35 PolarHBondContact O-OG1 3.17Å; K31-E36 PolarHBondContact O-N 3.08Å; K31-G37 PolarHBondContact O-N 3.15Å; K31-E329 WeakPolarHBondContact CE-OE1 3.04Å; K31-E329 VanDerWaalsContact CG-CD 3.46Å; K31-E329 HydrophobicContact CG-CG 3.69Å; K31-E329 WeakPolarHBondContact CG-OE2 3.4Å; K31-E329 IonicContact NZ-OE1 3.7Å
32	G	93.1	Very high	91	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-67.2	-32.4	177.3	0	0	0	0	0	112.8	N28 W29 A30 G37 G74 M75	N28-G32 PolarHBondContact O-N 3.32Å; W29-G32 CarbonylContact O-C 3.25Å; W29-G32 WeakPolarHBondContact O-CA 3.25Å; W29-G32 PolarHBondContact O-N 3.21Å; A30-G32 PolarHBondContact O-N 3.15Å; G32-G37 VanDerWaalsContact O-CA 3.23Å; G32-G37 WeakPolarHBondContact O-CA 3.22Å; G32-G74 CarbonylContact O-C 3.4Å; G32-M75 WeakPolarHBondContact O-CA 3.34Å; G32-M75 WeakPolarHBondContact O-CB 3.38Å; G32-M75 PolarHBondContact O-N 2.85Å
33	H	94.1	Very high	91.4	Very high	18 Å²	18	45.4 Å²	45.4	8%	0.083	27%	0.269	C	S	.	.	H	α-helix	trans	-94.4	-40.3	-172.2	-159	79.3	0	0	0	113.7	W29 A30 K31 G74 T77 L78	W29-H33 HydrophobicContact CD2-CB 4.15Å; W29-H33 HydrophobicContact CE3-CB 3.95Å; W29-H33 HydrophobicContact CH2-CB 3.78Å; W29-H33 AromaticContact CH2-CD2 3.47Å; W29-H33 VanDerWaalsContact CH2-CD2 3.47Å; W29-H33 WeakPolarHBondContact CH2-CD2 3.39Å; W29-H33 AromaticContact CH2-CG 3.39Å; W29-H33 AromaticContact CH2-ND1 3.8Å; W29-H33 AromaticContact CH2-NE2 3.92Å; W29-H33 HydrophobicContact CZ2-CB 3.99Å; W29-H33 AromaticContact CZ2-CE1 3.97Å; W29-H33 AromaticContact CZ2-CG 3.59Å; W29-H33 AromaticContact CZ2-ND1 3.55Å; W29-H33 HydrophobicContact CZ3-CB 3.77Å; W29-H33 AromaticContact CZ3-CG 3.88Å; W29-H33 WeakPolarHBondContact O-CB 3.47Å; W29-H33 PolarHBondContact O-N 3.34Å; A30-H33 PolarHBondContact O-N 3.06Å; K31-H33 VanDerWaalsContact C-N 3.3Å; H33-G74 PolarHBondContact ND1-O 3.2Å; H33-T77 PolarHBondContact ND1-OG1 3.31Å; H33-L78 WeakPolarHBondContact O-CD2 3.4Å
34	Y	92.3	Very high	91.9	Very high	99 Å²	99	43.8 Å²	43.8	39%	0.388	26%	0.257	S	S	.	.	H	α-helix	trans	-109.5	-28	-170.8	-66.5	-59.8	0	0	0	114.7	W29 A30 M331 E335	W29-Y34 HydrophobicContact CH2-CE2 4.48Å; W29-Y34 HydrophobicContact CZ3-CD2 4.42Å; W29-Y34 AromaticContact CZ3-CE2 3.82Å; W29-Y34 HydrophobicContact CZ3-CE2 3.82Å; A30-Y34 HydrophobicContact CB-CD2 4.31Å; A30-Y34 WeakPolarHBondContact O-CB 3.43Å; A30-Y34 PolarHBondContact O-N 3.33Å; Y34-M331 HydrophobicContact CD2-CB 4.49Å; Y34-M331 HydrophobicContact CE2-CB 4.21Å; Y34-M331 HydrophobicContact CE2-CG 4.1Å; Y34-E335 PolarHBondContact OH-OE2 3.34Å
35	T	91.3	Very high	92.3	Very high	41 Å²	41	41.6 Å²	41.6	25%	0.252	23%	0.232	S	C	.	.	S	Bend	trans	-111.4	-95.4	-174.5	62.6	0	0	0	0	112	K31 G37 A38 E39 E329	K31-T35 VanDerWaalsContact CA-OG1 3.31Å; K31-T35 WeakPolarHBondContact CA-OG1 3.39Å; K31-T35 PolarHBondContact O-N 3.36Å; K31-T35 PolarHBondContact O-OG1 3.17Å; T35-G37 VanDerWaalsContact C-N 3.32Å; T35-G37 PolarHBondContact O-N 2.86Å; T35-A38 PolarHBondContact O-N 3.28Å; T35-A38 VanDerWaalsContact O-N 3.1Å; T35-E39 PolarHBondContact O-N 3.47Å; T35-E329 HydrophobicContact CG2-CB 4.27Å; T35-E329 VanDerWaalsContact CG2-OE2 3.27Å; T35-E329 WeakPolarHBondContact CG2-OE2 3.43Å; T35-E329 PolarHBondContact OG1-OE2 2.7Å
36	E	90.4	Very high	92.7	Very high	73 Å²	73	45.9 Å²	45.9	34%	0.341	26%	0.255	S	S	.	.	H	α-helix	trans	-59.6	-39.2	-172.7	-63.4	-79.8	-170.1	0	0	113.1	S23 K31 L40	S23-E36 VanDerWaalsContact CB-CD 3.42Å; S23-E36 VanDerWaalsContact CB-OE1 3.25Å; S23-E36 WeakPolarHBondContact CB-OE1 3.48Å; S23-E36 VanDerWaalsContact CB-OE2 3.24Å; S23-E36 WeakPolarHBondContact CB-OE2 3.3Å; S23-E36 PolarHBondContact OG-OE1 3.41Å; K31-E36 PolarHBondContact O-N 3.08Å; E36-L40 PolarHBondContact O-N 3Å
37	G	89.1	Confident	93.1	Very high	4 Å²	4	44.6 Å²	44.6	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-75.3	-28.5	178.9	0	0	0	0	0	113.4	K31 G32 T35 L40 V41	K31-G37 PolarHBondContact O-N 3.15Å; G32-G37 VanDerWaalsContact O-CA 3.23Å; G32-G37 WeakPolarHBondContact O-CA 3.22Å; T35-G37 VanDerWaalsContact C-N 3.32Å; T35-G37 PolarHBondContact O-N 2.86Å; G37-L40 PolarHBondContact O-N 3.13Å; G37-V41 WeakPolarHBondContact O-CB 3.31Å; G37-V41 PolarHBondContact O-N 3.12Å
38	A	90.9	Very high	93.3	Very high	37 Å²	37	42.8 Å²	42.8	31%	0.306	23%	0.226	S	C	.	.	H	α-helix	trans	-69.8	-32.7	175.7	0	0	0	0	0	112	T35 L40 V41 L78	T35-A38 PolarHBondContact O-N 3.28Å; T35-A38 VanDerWaalsContact O-N 3.1Å; A38-L40 VanDerWaalsContact C-N 3.32Å; A38-V41 WeakPolarHBondContact O-CG1 2.93Å; A38-L78 HydrophobicContact CB-CD2 4.17Å
39	E	91.4	Very high	93.4	Very high	156 Å²	156	46.1 Å²	46.1	73%	0.729	24%	0.238	S	C	*	.	H	α-helix	trans	-69.2	-31.3	172.8	-65.2	-174.6	179	0	0	112.5	T35	T35-E39 PolarHBondContact O-N 3.47Å
40	L	93.1	Very high	93.3	Very high	37 Å²	37	51.7 Å²	51.7	19%	0.194	26%	0.263	C	S	.	.	H	α-helix	trans	-90.8	-22.5	-175.8	-166.9	63.7	0	0	0	113.5	V19 E36 G37 A38 D42 S43 V44 M75	V19-L40 HydrophobicContact CG1-CD1 3.62Å; V19-L40 HydrophobicContact CG1-CD2 4.4Å; V19-L40 HydrophobicContact CG1-CG 3.93Å; E36-L40 PolarHBondContact O-N 3Å; G37-L40 PolarHBondContact O-N 3.13Å; A38-L40 VanDerWaalsContact C-N 3.32Å; L40-D42 VanDerWaalsContact C-N 3.32Å; L40-D42 PolarHBondContact O-N 2.77Å; L40-S43 WeakPolarHBondContact O-CB 3.29Å; L40-S43 PolarHBondContact O-N 3.22Å; L40-V44 PolarHBondContact O-N 3.43Å; L40-M75 HydrophobicContact CB-CE 3.81Å; L40-M75 HydrophobicContact CD2-CE 3.84Å; L40-M75 HydrophobicContact CD2-SD 4.21Å; L40-M75 HydrophobicContact CG-CE 3.84Å
41	V	93.6	Very high	93.4	Very high	6 Å²	6	54.2 Å²	54.2	4%	0.036	27%	0.274	C	S	.	.	H	α-helix	trans	-60.5	-38.9	-171.6	74.7	0	0	0	0	112.6	G37 A38 S43 V44 L45 L78 L79 K82	G37-V41 WeakPolarHBondContact O-CB 3.31Å; G37-V41 PolarHBondContact O-N 3.12Å; A38-V41 WeakPolarHBondContact O-CG1 2.93Å; V41-S43 VanDerWaalsContact C-N 3.31Å; V41-S43 PolarHBondContact O-N 3.17Å; V41-V44 WeakPolarHBondContact O-CA 3.49Å; V41-V44 WeakPolarHBondContact O-CB 3.16Å; V41-V44 PolarHBondContact O-N 3.26Å; V41-L45 HydrophobicContact CG2-CD1 4.22Å; V41-L45 HydrophobicContact CG2-CG 4.32Å; V41-L45 WeakPolarHBondContact O-CG 2.98Å; V41-L45 PolarHBondContact O-N 2.76Å; V41-L78 HydrophobicContact CB-CD2 4.04Å; V41-L78 HydrophobicContact CG1-CD2 4.08Å; V41-L78 HydrophobicContact CG2-CD2 4.24Å; V41-L78 HydrophobicContact CG2-CG 4.33Å; V41-L79 HydrophobicContact CG2-CD1 3.98Å; V41-K82 HydrophobicContact CG2-CG 4.49Å
42	D	93.3	Very high	93.4	Very high	99 Å²	99	51.7 Å²	51.7	53%	0.529	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-40.1	-179.6	-71.4	-26.1	0	0	0	111.7	L40 V44 L45 D46	L40-D42 VanDerWaalsContact C-N 3.32Å; L40-D42 PolarHBondContact O-N 2.77Å; D42-V44 VanDerWaalsContact C-N 3.29Å; D42-V44 PolarHBondContact O-N 3.49Å; D42-L45 PolarHBondContact O-N 2.95Å; D42-D46 PolarHBondContact O-N 3.02Å
43	S	94.2	Very high	93.4	Very high	60 Å²	60	59.8 Å²	59.8	42%	0.42	30%	0.303	S	S	.	.	H	α-helix	trans	-64.5	-35	175.3	-62.8	0	0	0	0	112.1	L40 V41	L40-S43 WeakPolarHBondContact O-CB 3.29Å; L40-S43 PolarHBondContact O-N 3.22Å; V41-S43 VanDerWaalsContact C-N 3.31Å; V41-S43 PolarHBondContact O-N 3.17Å
44	V	94.9	Very high	93.5	Very high	27 Å²	27	62.4 Å²	62.4	16%	0.164	32%	0.324	C	S	.	.	H	α-helix	trans	-70.3	-44.2	174.9	-179.6	0	0	0	0	110.4	V19 L40 V41 D42 D46 V47 V48 M75 L79	V19-V44 HydrophobicContact CB-CG2 3.96Å; V19-V44 HydrophobicContact CG1-CG2 3.65Å; V19-V44 HydrophobicContact CG2-CG2 4.42Å; L40-V44 PolarHBondContact O-N 3.43Å; V41-V44 WeakPolarHBondContact O-CA 3.49Å; V41-V44 WeakPolarHBondContact O-CB 3.16Å; V41-V44 PolarHBondContact O-N 3.26Å; D42-V44 VanDerWaalsContact C-N 3.29Å; D42-V44 PolarHBondContact O-N 3.49Å; V44-D46 VanDerWaalsContact C-N 3.31Å; V44-D46 PolarHBondContact O-N 2.77Å; V44-V47 PolarHBondContact O-N 3.35Å; V44-V47 VanDerWaalsContact O-N 3.14Å; V44-V48 HydrophobicContact CG1-CG2 4.26Å; V44-V48 WeakPolarHBondContact O-CG2 3.32Å; V44-V48 PolarHBondContact O-N 3.2Å; V44-M75 HydrophobicContact CG2-CE 3.72Å; V44-L79 HydrophobicContact CB-CD1 4.33Å; V44-L79 HydrophobicContact CG1-CD1 3.82Å; V44-L79 HydrophobicContact CG1-CD2 3.97Å
45	L	94.5	Very high	93.6	Very high	5 Å²	5	60.5 Å²	60.5	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-61.4	-37.9	179.6	-72.3	171.1	0	0	0	112.1	V41 D42 V47 V48 R49 L79 K82 I83	V41-L45 HydrophobicContact CG2-CD1 4.22Å; V41-L45 HydrophobicContact CG2-CG 4.32Å; V41-L45 WeakPolarHBondContact O-CG 2.98Å; V41-L45 PolarHBondContact O-N 2.76Å; D42-L45 PolarHBondContact O-N 2.95Å; L45-V47 VanDerWaalsContact C-N 3.32Å; L45-V47 PolarHBondContact O-N 3.02Å; L45-V48 PolarHBondContact O-N 2.84Å; L45-R49 WeakPolarHBondContact O-CB 3.5Å; L45-R49 WeakPolarHBondContact O-CG 3.47Å; L45-R49 PolarHBondContact O-N 2.83Å; L45-L79 HydrophobicContact CD2-CD1 3.86Å; L45-L79 HydrophobicContact CG-CD1 4.22Å; L45-K82 HydrophobicContact CD1-CB 3.83Å; L45-K82 HydrophobicContact CD1-CD 4.46Å; L45-K82 HydrophobicContact CD1-CG 4.22Å; L45-K82 HydrophobicContact CD2-CB 4.09Å; L45-I83 HydrophobicContact CD2-CG1 3.97Å
46	D	95.3	Very high	93.6	Very high	94 Å²	94	67 Å²	67	50%	0.503	36%	0.358	S	S	.	.	H	α-helix	trans	-61.6	-39.4	174.8	-76.1	-16.5	0	0	0	112.7	D42 V44 R49 K50	D42-D46 PolarHBondContact O-N 3.02Å; V44-D46 VanDerWaalsContact C-N 3.31Å; V44-D46 PolarHBondContact O-N 2.77Å; D46-R49 IonicContact OD1-CZ 3.32Å; D46-R49 IonicContact OD1-NH1 2.72Å; D46-R49 PolarHBondContact OD1-NH1 2.83Å; D46-K50 WeakPolarHBondContact O-CB 3.35Å; D46-K50 PolarHBondContact O-N 2.77Å; D46-K50 VanDerWaalsContact O-N 3.1Å
47	V	95.8	Very high	93.6	Very high	34 Å²	34	68.4 Å²	68.4	21%	0.206	37%	0.374	C	S	.	.	H	α-helix	trans	-68	-42.3	174.1	176.5	0	0	0	0	110.7	N17 V19 V44 L45 R49 K50 E51	N17-V47 HydrophobicContact CB-CG1 4.18Å; V19-V47 HydrophobicContact CG2-CG2 3.83Å; V44-V47 PolarHBondContact O-N 3.35Å; V44-V47 VanDerWaalsContact O-N 3.14Å; L45-V47 VanDerWaalsContact C-N 3.32Å; L45-V47 PolarHBondContact O-N 3.02Å; V47-R49 PolarHBondContact O-N 3.26Å; V47-K50 PolarHBondContact O-N 3.17Å; V47-E51 PolarHBondContact O-N 3.24Å
48	V	95	Very high	93.8	Very high	29 Å²	29	69.6 Å²	69.6	18%	0.176	38%	0.38	C	S	.	.	H	α-helix	trans	-60.5	-45.1	177.4	172.9	0	0	0	0	110.8	V44 L45 K50 E51 A52 F61 I83	V44-V48 HydrophobicContact CG1-CG2 4.26Å; V44-V48 WeakPolarHBondContact O-CG2 3.32Å; V44-V48 PolarHBondContact O-N 3.2Å; L45-V48 PolarHBondContact O-N 2.84Å; V48-K50 PolarHBondContact O-N 2.71Å; V48-E51 PolarHBondContact O-N 2.94Å; V48-A52 VanDerWaalsContact O-CB 3.29Å; V48-A52 WeakPolarHBondContact O-CB 3.49Å; V48-A52 PolarHBondContact O-N 2.95Å; V48-F61 HydrophobicContact CG1-CD1 4.27Å; V48-F61 HydrophobicContact CG1-CE1 3.54Å; V48-F61 HydrophobicContact CG1-CZ 4.24Å; V48-I83 HydrophobicContact CG1-CD1 4.44Å
49	R	94.9	Very high	93.7	Very high	77 Å²	77	72.6 Å²	72.6	29%	0.291	39%	0.387	S	S	.	.	H	α-helix	trans	-56.8	-49.6	174.6	-76.6	170.4	-163.9	135.4	5.4	111.9	L45 D46 V47 E51 A52 E53 E86	L45-R49 WeakPolarHBondContact O-CB 3.5Å; L45-R49 WeakPolarHBondContact O-CG 3.47Å; L45-R49 PolarHBondContact O-N 2.83Å; D46-R49 IonicContact OD1-CZ 3.32Å; D46-R49 IonicContact OD1-NH1 2.72Å; D46-R49 PolarHBondContact OD1-NH1 2.83Å; V47-R49 PolarHBondContact O-N 3.26Å; R49-E51 VanDerWaalsContact C-N 3.31Å; R49-E51 PolarHBondContact O-N 3.35Å; R49-A52 PolarHBondContact O-N 2.95Å; R49-A52 VanDerWaalsContact O-N 3.15Å; R49-E53 WeakPolarHBondContact O-CG 3.42Å; R49-E53 PolarHBondContact O-N 3.07Å; R49-E86 WeakPolarHBondContact CD-OE1 3.23Å; R49-E86 WeakPolarHBondContact CG-OE1 3.31Å; R49-E86 IonicContact CZ-OE1 3.88Å; R49-E86 IonicContact CZ-OE2 2.84Å; R49-E86 VanDerWaalsContact CZ-OE2 3.31Å; R49-E86 VanDerWaalsContact NE-CD 3.32Å; R49-E86 IonicContact NE-OE1 2.8Å; R49-E86 PolarHBondContact NE-OE1 2.94Å; R49-E86 IonicContact NE-OE2 3.9Å; R49-E86 PolarHBondContact NE-OE2 3.33Å; R49-E86 IonicContact NH2-OE2 3.27Å; R49-E86 PolarHBondContact NH2-OE2 3.37Å
50	K	95.3	Very high	93.7	Very high	122 Å²	122	66 Å²	66	53%	0.53	36%	0.361	S	S	.	.	H	α-helix	trans	-59.2	-41.5	-179.7	-174.5	-179.1	177.5	-174.6	0	112.3	D46 V47 V48 S54	D46-K50 WeakPolarHBondContact O-CB 3.35Å; D46-K50 PolarHBondContact O-N 2.77Å; D46-K50 VanDerWaalsContact O-N 3.1Å; V47-K50 PolarHBondContact O-N 3.17Å; V48-K50 PolarHBondContact O-N 2.71Å; K50-S54 PolarHBondContact O-N 3.4Å
51	E	95	Very high	93.8	Very high	53 Å²	53	65.7 Å²	65.7	25%	0.248	36%	0.358	C	S	.	.	H	α-helix	trans	-73.6	-36.8	176.9	-65.2	-67.2	166.3	0	0	111.5	R14 N17 V47 V48 R49 S54 C55	R14-E51 IonicContact CZ-OE1 3.84Å; R14-E51 IonicContact NH1-OE1 3.1Å; R14-E51 PolarHBondContact NH1-OE1 3.09Å; R14-E51 IonicContact NH1-OE2 3.27Å; R14-E51 PolarHBondContact NH1-OE2 3.29Å; R14-E51 VanDerWaalsContact NH1-OE2 3.1Å; N17-E51 PolarHBondContact ND2-OE1 2.95Å; N17-E51 PolarHBondContact OD1-OE1 2.82Å; V47-E51 PolarHBondContact O-N 3.24Å; V48-E51 PolarHBondContact O-N 2.94Å; R49-E51 VanDerWaalsContact C-N 3.31Å; R49-E51 PolarHBondContact O-N 3.35Å; E51-S54 PolarHBondContact O-N 3.17Å; E51-S54 PolarHBondContact O-OG 2.84Å; E51-C55 PolarHBondContact O-N 2.94Å; E51-C55 PolarHBondContact O-SG 3.35Å
52	A	93.6	Very high	93.8	Very high	14 Å²	14	69.9 Å²	69.9	12%	0.116	38%	0.378	C	S	.	.	H	α-helix	trans	-63.3	-44.3	176.3	0	0	0	0	0	112.3	V48 R49 S54 C55 L58 Y87	V48-A52 VanDerWaalsContact O-CB 3.29Å; V48-A52 WeakPolarHBondContact O-CB 3.49Å; V48-A52 PolarHBondContact O-N 2.95Å; R49-A52 PolarHBondContact O-N 2.95Å; R49-A52 VanDerWaalsContact O-N 3.15Å; A52-S54 PolarHBondContact O-N 2.74Å; A52-C55 WeakPolarHBondContact O-CB 3.1Å; A52-C55 PolarHBondContact O-N 3.03Å; A52-C55 VanDerWaalsContact O-N 3.16Å; A52-L58 HydrophobicContact CB-CD2 4.03Å; A52-Y87 HydrophobicContact CB-CE1 4.28Å
53	E	94.2	Very high	94	Very high	170 Å²	170	67 Å²	67	79%	0.794	36%	0.362	S	S	*	.	H	α-helix	trans	-64.8	-25.5	175.4	-72.6	-175.9	168.1	0	0	112.9	R49 C55	R49-E53 WeakPolarHBondContact O-CG 3.42Å; R49-E53 PolarHBondContact O-N 3.07Å; E53-C55 VanDerWaalsContact C-N 3.26Å; E53-C55 PolarHBondContact O-N 3.12Å
54	S	94.8	Very high	94.1	Very high	74 Å²	74	68.3 Å²	68.3	52%	0.517	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-6.1	177.1	80.2	0	0	0	0	114.1	K50 E51 A52	K50-S54 PolarHBondContact O-N 3.4Å; E51-S54 PolarHBondContact O-N 3.17Å; E51-S54 PolarHBondContact O-OG 2.84Å; A52-S54 PolarHBondContact O-N 2.74Å
55	C	94.2	Very high	94.1	Very high	58 Å²	58	67.7 Å²	67.7	39%	0.392	36%	0.363	S	S	.	.			trans	-94	133.4	179.8	-63.4	0	0	0	0	111.5	E51 A52 E53 L58	E51-C55 PolarHBondContact O-N 2.94Å; E51-C55 PolarHBondContact O-SG 3.35Å; A52-C55 WeakPolarHBondContact O-CB 3.1Å; A52-C55 PolarHBondContact O-N 3.03Å; A52-C55 VanDerWaalsContact O-N 3.16Å; E53-C55 VanDerWaalsContact C-N 3.26Å; E53-C55 PolarHBondContact O-N 3.12Å; C55-L58 HydrophobicContact CB-CB 4.37Å
56	D	93.1	Very high	94.1	Very high	178 Å²	178	69.9 Å²	69.9	95%	0.952	38%	0.378	S	S	*	.	S	Bend	trans	-63.7	-43.1	174.4	-63.4	-35.2	0	0	0	112.2
57	C	90.3	Very high	93.9	Very high	102 Å²	102	65.6 Å²	65.6	69%	0.689	36%	0.356	S	S	*	.	S	Bend	trans	-149.1	98	176.2	-172.2	0	0	0	0	110.6	Q59	C57-Q59 PolarHBondContact O-N 3.27Å
58	L	92.4	Very high	93.6	Very high	30 Å²	30	64.2 Å²	64.2	16%	0.157	35%	0.348	C	S	.	.			trans	-69.5	123.9	179	-178.3	65.7	0	0	0	111.1	A52 C55 F61 R90	A52-L58 HydrophobicContact CB-CD2 4.03Å; C55-L58 HydrophobicContact CB-CB 4.37Å; L58-F61 HydrophobicContact CD2-CE1 4.08Å; L58-F61 HydrophobicContact CD2-CE2 4.05Å; L58-F61 HydrophobicContact CD2-CZ 3.58Å; L58-R90 HydrophobicContact CD2-CG 4.43Å; L58-R90 WeakPolarHBondContact O-CD 3.33Å; L58-R90 VanDerWaalsContact O-CZ 3.31Å; L58-R90 PolarHBondContact O-NH1 3.35Å
59	Q	88.6	Confident	93.4	Very high	100 Å²	100	63.5 Å²	63.5	47%	0.467	35%	0.346	S	S	.	.			trans	-80.2	-41.3	175.7	-67	-166.1	15.8	0	0	112.7	C57 I91 L178	C57-Q59 PolarHBondContact O-N 3.27Å; Q59-I91 PolarHBondContact O-N 2.95Å; Q59-L178 HydrophobicContact CB-CD1 4.27Å
60	G	92.3	Very high	93.2	Very high	17 Å²	17	60 Å²	60	18%	0.175	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-174.1	-169.2	0	0	0	0	0	112.7	I91	G60-I91 CarbonylContact C-O 3.58Å; G60-I91 WeakPolarHBondContact CA-O 3.29Å
61	F	95.2	Very high	93.1	Very high	30 Å²	30	57.6 Å²	57.6	13%	0.132	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	145.3	179.8	-57.4	-86.2	0	0	0	110.1	V48 L58 I83 Y87 R90 I91 M92 N93	V48-F61 HydrophobicContact CG1-CD1 4.27Å; V48-F61 HydrophobicContact CG1-CE1 3.54Å; V48-F61 HydrophobicContact CG1-CZ 4.24Å; L58-F61 HydrophobicContact CD2-CE1 4.08Å; L58-F61 HydrophobicContact CD2-CE2 4.05Å; L58-F61 HydrophobicContact CD2-CZ 3.58Å; F61-I83 HydrophobicContact CD1-CD1 4.45Å; F61-I83 HydrophobicContact CD1-CG2 4.29Å; F61-I83 HydrophobicContact CD2-CG2 3.33Å; F61-I83 HydrophobicContact CE1-CG2 4.29Å; F61-I83 HydrophobicContact CE2-CG2 3.32Å; F61-I83 HydrophobicContact CG-CG2 3.82Å; F61-I83 HydrophobicContact CZ-CG2 3.82Å; F61-Y87 AromaticContact CE2-CD2 3.93Å; F61-Y87 HydrophobicContact CE2-CD2 3.93Å; F61-Y87 AromaticContact CE2-CG 3.83Å; F61-Y87 HydrophobicContact CE2-CG 3.83Å; F61-Y87 HydrophobicContact CZ-CD1 4.32Å; F61-Y87 AromaticContact CZ-CD2 3.68Å; F61-Y87 HydrophobicContact CZ-CD2 3.68Å; F61-Y87 HydrophobicContact CZ-CE2 4.08Å; F61-Y87 AromaticContact CZ-CG 3.84Å; F61-Y87 HydrophobicContact CZ-CG 3.84Å; F61-R90 HydrophobicContact CD2-CB 4.4Å; F61-R90 HydrophobicContact CE2-CB 4.08Å; F61-R90 HydrophobicContact CE2-CG 4.47Å; F61-I91 PolarHBondContact N-O 2.9Å; F61-M92 HydrophobicContact CB-CE 3.78Å; F61-M92 HydrophobicContact CB-SD 3.93Å; F61-M92 HydrophobicContact CD2-CE 4.07Å; F61-M92 HydrophobicContact CG-CE 4.19Å; F61-N93 PolarHBondContact O-N 2.85Å
62	Q	94.1	Very high	93	Very high	95 Å²	95	56.3 Å²	56.3	44%	0.444	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	112	176.3	-176	-178.1	-5.8	0	0	109	N93 F95	Q62-N93 CarbonylContact C-O 3.57Å; Q62-N93 VanDerWaalsContact CA-O 3.31Å; Q62-N93 WeakPolarHBondContact CA-O 3.45Å; Q62-F95 HydrophobicContact CG-CD2 3.79Å; Q62-F95 HydrophobicContact CG-CE2 3.69Å; Q62-F95 VanDerWaalsContact NE2-CD2 3.26Å
63	L	95.8	Very high	93	Very high	37 Å²	37	55.6 Å²	55.6	19%	0.194	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.9	176.4	-174.3	66.5	0	0	0	110.9	H65 I80 N93 T94 F95	L63-H65 HydrophobicContact CD2-CB 4.38Å; L63-H65 WeakPolarHBondContact CD2-ND1 3.24Å; L63-H65 HydrophobicContact CG-CB 4.31Å; L63-I80 HydrophobicContact CD2-CD1 3.68Å; L63-I80 HydrophobicContact CD2-CG1 3.67Å; L63-N93 PolarHBondContact N-O 3.34Å; L63-T94 HydrophobicContact CB-CG2 4.28Å; L63-T94 CarbonylContact O-C 3.57Å; L63-T94 WeakPolarHBondContact O-CA 3.36Å; L63-F95 PolarHBondContact O-N 3.26Å
64	T	96.3	Very high	92.9	Very high	88 Å²	88	47.5 Å²	47.5	54%	0.54	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	115.1	170.5	56	0	0	0	0	109	F95 M161	T64-F95 HydrophobicContact CG2-CB 4.14Å; T64-F95 HydrophobicContact CG2-CD2 4.49Å; T64-M161 HydrophobicContact CG2-CE 3.35Å; T64-M161 HydrophobicContact CG2-SD 4.33Å
65	H	95.6	Very high	93	Very high	15 Å²	15	45.1 Å²	45.1	7%	0.069	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	166.4	-175.4	69.7	172.3	0	0	0	112.8	L63 G72 F95 S96 V97	L63-H65 HydrophobicContact CD2-CB 4.38Å; L63-H65 WeakPolarHBondContact CD2-ND1 3.24Å; L63-H65 HydrophobicContact CG-CB 4.31Å; H65-G72 WeakPolarHBondContact CB-O 3.48Å; H65-G72 PolarHBondContact ND1-O 2.88Å; H65-F95 PolarHBondContact N-O 2.92Å; H65-F95 VanDerWaalsContact N-O 3.08Å; H65-S96 PolarHBondContact CD2-OG 3.28Å; H65-S96 PolarHBondContact NE2-OG 3.47Å; H65-V97 PolarHBondContact O-N 3.28Å
66	S	93.6	Very high	93	Very high	51 Å²	51	42.7 Å²	42.7	36%	0.357	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.3	174.6	63.6	0	0	0	0	110	G72 S73	S66-G72 CarbonylContact O-C 3.55Å; S66-S73 PolarHBondContact O-N 3.48Å
67	L	92.7	Very high	93.1	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	21%	0.208	C	C	.	.	S	Bend	trans	-80.1	-20.6	-179.5	-54.7	-179.2	0	0	0	113.2	S73 V97 V98 N112 A113 V117 L120	L67-S73 WeakPolarHBondContact O-CB 3.46Å; L67-V97 PolarHBondContact N-O 3.32Å; L67-V98 HydrophobicContact CD1-CG2 4.22Å; L67-N112 CarbonylContact O-C 3.58Å; L67-N112 VanDerWaalsContact O-C 3.25Å; L67-N112 VanDerWaalsContact O-CB 3.32Å; L67-N112 WeakPolarHBondContact O-CB 3.49Å; L67-A113 HydrophobicContact CB-CB 4.2Å; L67-A113 PolarHBondContact O-N 2.9Å; L67-V117 HydrophobicContact CD1-CG2 4.03Å; L67-L120 HydrophobicContact CD1-CD1 4.23Å; L67-L120 HydrophobicContact CD2-CD1 3.66Å
68	G	88	Confident	93.3	Very high	5 Å²	5	30.4 Å²	30.4	5%	0.052	18%	0.18	C	C	.	.	S	Bend	trans	-80.5	-20.5	-178.7	0	0	0	0	0	115.3	N112	G68-N112 PolarHBondContact O-ND2 3.46Å
69	G	90.6	Very high	93.5	Very high	13 Å²	13	30 Å²	30	13%	0.134	18%	0.178	C	C	.	.	S	Bend	trans	-76.6	-165.6	-178	0	0	0	0	0	113.3	S73 N112	G69-S73 WeakPolarHBondContact O-CB 3.49Å; G69-S73 PolarHBondContact O-OG 2.92Å; G69-N112 WeakPolarHBondContact O-CB 3.26Å; G69-N112 PolarHBondContact O-ND2 3.4Å
70	G	91.1	Very high	93.8	Very high	3 Å²	3	25.5 Å²	25.5	3%	0.031	16%	0.157	C	C	.	.	S	Bend	trans	-107.2	-43.1	169.7	0	0	0	0	0	113.3	N28 S73 G74	N28-G70 WeakPolarHBondContact O-CA 2.8Å; G70-S73 WeakPolarHBondContact CA-OG 3.41Å; G70-S73 PolarHBondContact O-OG 3.07Å; G70-G74 PolarHBondContact O-N 3.38Å
71	T	93.4	Very high	93.9	Very high	73 Å²	73	25.9 Å²	25.9	45%	0.448	16%	0.157	S	C	.	.	I	π-helix	trans	-76.9	-53.3	-179.6	-52.4	0	0	0	0	111.5	A25 S73 M75 G76	A25-T71 VanDerWaalsContact CB-OG1 3.3Å; A25-T71 WeakPolarHBondContact CB-OG1 3.45Å; T71-S73 PolarHBondContact O-N 3.35Å; T71-M75 HydrophobicContact CG2-CB 4.24Å; T71-M75 HydrophobicContact CG2-SD 4.13Å; T71-M75 WeakPolarHBondContact O-CA 3.12Å; T71-M75 WeakPolarHBondContact O-CB 3.26Å; T71-M75 PolarHBondContact O-N 3.5Å; T71-G76 PolarHBondContact O-N 3.47Å; T71-G76 VanDerWaalsContact O-N 3.15Å
72	G	92.6	Very high	93.9	Very high	25 Å²	25	27.8 Å²	27.8	26%	0.258	17%	0.165	S	C	.	.	I	π-helix	trans	-61.4	-34	-179.1	0	0	0	0	0	112.6	H65 S66 G76	H65-G72 WeakPolarHBondContact CB-O 3.48Å; H65-G72 PolarHBondContact ND1-O 2.88Å; S66-G72 CarbonylContact O-C 3.55Å; G72-G76 WeakPolarHBondContact O-CA 3.42Å
73	S	93.3	Very high	93.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.147	C	C	.	.	I	π-helix	trans	-80.2	-68.5	179.4	60.5	0	0	0	0	110.7	S66 L67 G69 G70 T71 G76 T77 S116	S66-S73 PolarHBondContact O-N 3.48Å; L67-S73 WeakPolarHBondContact O-CB 3.46Å; G69-S73 WeakPolarHBondContact O-CB 3.49Å; G69-S73 PolarHBondContact O-OG 2.92Å; G70-S73 WeakPolarHBondContact CA-OG 3.41Å; G70-S73 PolarHBondContact O-OG 3.07Å; T71-S73 PolarHBondContact O-N 3.35Å; S73-G76 PolarHBondContact O-N 2.85Å; S73-T77 WeakPolarHBondContact O-CB 3.5Å; S73-T77 VanDerWaalsContact O-CG2 3.25Å; S73-T77 WeakPolarHBondContact O-CG2 3.24Å; S73-T77 PolarHBondContact O-N 3.1Å; S73-T77 PolarHBondContact O-OG1 3.5Å; S73-S116 VanDerWaalsContact CB-OG 3.22Å; S73-S116 WeakPolarHBondContact CB-OG 3.39Å
74	G	93.9	Very high	93.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.15	C	C	.	.	I	π-helix	trans	-69	-51.1	-173.1	0	0	0	0	0	114.4	W29 G32 H33 G70 G76 T77 L78	W29-G74 VanDerWaalsContact CD1-CA 3.42Å; W29-G74 VanDerWaalsContact CD1-N 3.32Å; G32-G74 CarbonylContact O-C 3.4Å; H33-G74 PolarHBondContact ND1-O 3.2Å; G70-G74 PolarHBondContact O-N 3.38Å; G74-G76 VanDerWaalsContact C-N 3.32Å; G74-T77 PolarHBondContact O-OG1 2.93Å; G74-L78 WeakPolarHBondContact O-CB 3.33Å; G74-L78 PolarHBondContact O-N 3.19Å; G74-L78 VanDerWaalsContact O-N 3.07Å
75	M	95	Very high	93.7	Very high	23 Å²	23	27 Å²	27	11%	0.113	15%	0.152	C	C	.	.	I	π-helix	trans	-70.7	-34	177.2	-171.4	-170.2	176.2	0	0	110.7	G32 L40 V44 T71 L78 L79	G32-M75 WeakPolarHBondContact O-CA 3.34Å; G32-M75 WeakPolarHBondContact O-CB 3.38Å; G32-M75 PolarHBondContact O-N 2.85Å; L40-M75 HydrophobicContact CB-CE 3.81Å; L40-M75 HydrophobicContact CD2-CE 3.84Å; L40-M75 HydrophobicContact CD2-SD 4.21Å; L40-M75 HydrophobicContact CG-CE 3.84Å; V44-M75 HydrophobicContact CG2-CE 3.72Å; T71-M75 HydrophobicContact CG2-CB 4.24Å; T71-M75 HydrophobicContact CG2-SD 4.13Å; T71-M75 WeakPolarHBondContact O-CA 3.12Å; T71-M75 WeakPolarHBondContact O-CB 3.26Å; T71-M75 PolarHBondContact O-N 3.5Å; M75-L78 PolarHBondContact O-N 3.07Å; M75-L79 WeakPolarHBondContact O-CB 3.06Å; M75-L79 PolarHBondContact O-N 3.29Å
76	G	94.9	Very high	93.6	Very high	8 Å²	8	29.6 Å²	29.6	8%	0.082	16%	0.164	C	C	.	.	H	α-helix	trans	-59.7	-49.7	175	0	0	0	0	0	112	T71 G72 S73 G74 L79 I80	T71-G76 PolarHBondContact O-N 3.47Å; T71-G76 VanDerWaalsContact O-N 3.15Å; G72-G76 WeakPolarHBondContact O-CA 3.42Å; S73-G76 PolarHBondContact O-N 2.85Å; G74-G76 VanDerWaalsContact C-N 3.32Å; G76-L79 PolarHBondContact O-N 3.41Å; G76-I80 VanDerWaalsContact O-CG1 3.29Å; G76-I80 WeakPolarHBondContact O-CG1 3.13Å; G76-I80 PolarHBondContact O-N 3.25Å
77	T	94.8	Very high	93.7	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-67.6	-36.4	178.4	55.3	0	0	0	0	112.8	H33 S73 G74 L79 I80 S81 Q119	H33-T77 PolarHBondContact ND1-OG1 3.31Å; S73-T77 WeakPolarHBondContact O-CB 3.5Å; S73-T77 VanDerWaalsContact O-CG2 3.25Å; S73-T77 WeakPolarHBondContact O-CG2 3.24Å; S73-T77 PolarHBondContact O-N 3.1Å; S73-T77 PolarHBondContact O-OG1 3.5Å; G74-T77 PolarHBondContact O-OG1 2.93Å; T77-L79 VanDerWaalsContact C-N 3.33Å; T77-L79 PolarHBondContact O-N 2.74Å; T77-I80 PolarHBondContact O-N 3.42Å; T77-S81 PolarHBondContact O-N 3.1Å; T77-Q119 HydrophobicContact CG2-CB 3.75Å; T77-Q119 HydrophobicContact CG2-CG 4.4Å
78	L	95.1	Very high	93.6	Very high	21 Å²	21	32.7 Å²	32.7	11%	0.11	18%	0.178	C	C	.	.	H	α-helix	trans	-59.1	-46.1	172.4	-177.8	66.1	0	0	0	111.2	H33 A38 V41 G74 M75 I80 S81 K82	H33-L78 WeakPolarHBondContact O-CD2 3.4Å; A38-L78 HydrophobicContact CB-CD2 4.17Å; V41-L78 HydrophobicContact CB-CD2 4.04Å; V41-L78 HydrophobicContact CG1-CD2 4.08Å; V41-L78 HydrophobicContact CG2-CD2 4.24Å; V41-L78 HydrophobicContact CG2-CG 4.33Å; G74-L78 WeakPolarHBondContact O-CB 3.33Å; G74-L78 PolarHBondContact O-N 3.19Å; G74-L78 VanDerWaalsContact O-N 3.07Å; M75-L78 PolarHBondContact O-N 3.07Å; L78-I80 PolarHBondContact O-N 3.49Å; L78-S81 PolarHBondContact O-N 2.75Å; L78-K82 WeakPolarHBondContact O-CG 3.31Å; L78-K82 PolarHBondContact O-N 2.91Å
79	L	95.8	Very high	93.7	Very high	22 Å²	22	38.5 Å²	38.5	12%	0.115	21%	0.208	C	C	.	.	H	α-helix	trans	-63.8	-41.2	178.9	-176.1	67.1	0	0	0	111.5	V41 V44 L45 M75 G76 T77 K82 I83	V41-L79 HydrophobicContact CG2-CD1 3.98Å; V44-L79 HydrophobicContact CB-CD1 4.33Å; V44-L79 HydrophobicContact CG1-CD1 3.82Å; V44-L79 HydrophobicContact CG1-CD2 3.97Å; L45-L79 HydrophobicContact CD2-CD1 3.86Å; L45-L79 HydrophobicContact CG-CD1 4.22Å; M75-L79 WeakPolarHBondContact O-CB 3.06Å; M75-L79 PolarHBondContact O-N 3.29Å; G76-L79 PolarHBondContact O-N 3.41Å; T77-L79 VanDerWaalsContact C-N 3.33Å; T77-L79 PolarHBondContact O-N 2.74Å; L79-K82 PolarHBondContact O-N 3.19Å; L79-I83 HydrophobicContact CD1-CD1 4.05Å; L79-I83 HydrophobicContact CD1-CG1 4.28Å; L79-I83 HydrophobicContact CD2-CD1 4.36Å; L79-I83 HydrophobicContact CG-CD1 3.78Å; L79-I83 HydrophobicContact CG-CG1 4.37Å; L79-I83 WeakPolarHBondContact O-CB 3.39Å; L79-I83 VanDerWaalsContact O-CG1 3.24Å; L79-I83 WeakPolarHBondContact O-CG1 3.4Å; L79-I83 PolarHBondContact O-N 3.12Å
80	I	95.8	Very high	93.8	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-57.9	-50.5	175.1	-67.5	169.9	0	0	0	110.2	L63 G76 T77 L78 K82 I83 R84 M92 T94 L120 N123 T124	L63-I80 HydrophobicContact CD2-CD1 3.68Å; L63-I80 HydrophobicContact CD2-CG1 3.67Å; G76-I80 VanDerWaalsContact O-CG1 3.29Å; G76-I80 WeakPolarHBondContact O-CG1 3.13Å; G76-I80 PolarHBondContact O-N 3.25Å; T77-I80 PolarHBondContact O-N 3.42Å; L78-I80 PolarHBondContact O-N 3.49Å; I80-K82 PolarHBondContact O-N 3.38Å; I80-I83 PolarHBondContact O-N 3.34Å; I80-R84 WeakPolarHBondContact O-CB 3.32Å; I80-R84 PolarHBondContact O-N 2.96Å; I80-M92 HydrophobicContact CG1-SD 4.35Å; I80-M92 HydrophobicContact CG2-CE 4.48Å; I80-M92 HydrophobicContact CG2-CG 3.91Å; I80-M92 HydrophobicContact CG2-SD 4.38Å; I80-T94 HydrophobicContact CD1-CG2 3.74Å; I80-L120 HydrophobicContact CD1-CD2 3.59Å; I80-N123 HydrophobicContact CG2-CB 3.57Å; I80-N123 WeakPolarHBondContact CG2-O 3.48Å; I80-T124 HydrophobicContact CD1-CG2 3.98Å; I80-T124 HydrophobicContact CG2-CG2 3.77Å
81	S	94.4	Very high	93.8	Very high	25 Å²	25	42.5 Å²	42.5	18%	0.175	22%	0.218	C	C	.	.	H	α-helix	trans	-58.7	-47.2	180	173.4	0	0	0	0	111.4	T77 L78 I83 R84 E85	T77-S81 PolarHBondContact O-N 3.1Å; L78-S81 PolarHBondContact O-N 2.75Å; S81-I83 PolarHBondContact O-N 3.47Å; S81-R84 PolarHBondContact O-N 3.35Å; S81-R84 VanDerWaalsContact O-N 3.15Å; S81-E85 WeakPolarHBondContact O-CG 3.18Å; S81-E85 PolarHBondContact O-N 2.77Å
82	K	94.9	Very high	93.9	Very high	70 Å²	70	39.2 Å²	39.2	30%	0.304	20%	0.198	S	C	.	.	H	α-helix	trans	-63.7	-40.6	177.8	-69.4	-73.9	154	-145.6	0	113.2	V41 L45 L78 L79 I80 R84 E85 E86	V41-K82 HydrophobicContact CG2-CG 4.49Å; L45-K82 HydrophobicContact CD1-CB 3.83Å; L45-K82 HydrophobicContact CD1-CD 4.46Å; L45-K82 HydrophobicContact CD1-CG 4.22Å; L45-K82 HydrophobicContact CD2-CB 4.09Å; L78-K82 WeakPolarHBondContact O-CG 3.31Å; L78-K82 PolarHBondContact O-N 2.91Å; L79-K82 PolarHBondContact O-N 3.19Å; I80-K82 PolarHBondContact O-N 3.38Å; K82-R84 VanDerWaalsContact C-N 3.31Å; K82-E85 IonicContact NZ-OE1 3.95Å; K82-E85 PolarHBondContact NZ-OE1 2.82Å; K82-E85 IonicContact NZ-OE2 3.94Å; K82-E85 PolarHBondContact NZ-OE2 3.02Å; K82-E85 PolarHBondContact O-N 3Å; K82-E86 PolarHBondContact O-N 2.88Å; K82-E86 VanDerWaalsContact O-N 3.08Å
83	I	95.1	Very high	93.9	Very high	11 Å²	11	38.3 Å²	38.3	6%	0.056	19%	0.187	C	C	.	.	H	α-helix	trans	-66.3	-36.9	175.2	-69.1	171.9	0	0	0	110.5	L45 V48 F61 L79 I80 S81 E86 Y87 M92	L45-I83 HydrophobicContact CD2-CG1 3.97Å; V48-I83 HydrophobicContact CG1-CD1 4.44Å; F61-I83 HydrophobicContact CD1-CD1 4.45Å; F61-I83 HydrophobicContact CD1-CG2 4.29Å; F61-I83 HydrophobicContact CD2-CG2 3.33Å; F61-I83 HydrophobicContact CE1-CG2 4.29Å; F61-I83 HydrophobicContact CE2-CG2 3.32Å; F61-I83 HydrophobicContact CG-CG2 3.82Å; F61-I83 HydrophobicContact CZ-CG2 3.82Å; L79-I83 HydrophobicContact CD1-CD1 4.05Å; L79-I83 HydrophobicContact CD1-CG1 4.28Å; L79-I83 HydrophobicContact CD2-CD1 4.36Å; L79-I83 HydrophobicContact CG-CD1 3.78Å; L79-I83 HydrophobicContact CG-CG1 4.37Å; L79-I83 WeakPolarHBondContact O-CB 3.39Å; L79-I83 VanDerWaalsContact O-CG1 3.24Å; L79-I83 WeakPolarHBondContact O-CG1 3.4Å; L79-I83 PolarHBondContact O-N 3.12Å; I80-I83 PolarHBondContact O-N 3.34Å; S81-I83 PolarHBondContact O-N 3.47Å; I83-E86 PolarHBondContact O-N 2.87Å; I83-Y87 HydrophobicContact CG2-CD2 4.11Å; I83-Y87 WeakPolarHBondContact O-CA 3.47Å; I83-Y87 WeakPolarHBondContact O-CB 3.21Å; I83-Y87 PolarHBondContact O-N 2.98Å; I83-M92 HydrophobicContact CB-CE 3.73Å; I83-M92 HydrophobicContact CD1-CE 4.28Å; I83-M92 HydrophobicContact CG2-CE 3.34Å
84	R	93.1	Very high	94	Very high	69 Å²	69	38.3 Å²	38.3	26%	0.26	19%	0.187	S	C	.	.	H	α-helix	trans	-67.9	-36.2	177.4	-169.7	59.1	168	-155.6	-13.3	112.1	I80 S81 K82 P88 R90 D125	I80-R84 WeakPolarHBondContact O-CB 3.32Å; I80-R84 PolarHBondContact O-N 2.96Å; S81-R84 PolarHBondContact O-N 3.35Å; S81-R84 VanDerWaalsContact O-N 3.15Å; K82-R84 VanDerWaalsContact C-N 3.31Å; R84-P88 WeakPolarHBondContact O-CA 3.33Å; R84-R90 PolarHBondContact NH1-O 2.78Å; R84-D125 IonicContact CZ-OD1 3Å; R84-D125 IonicContact CZ-OD2 2.88Å; R84-D125 IonicContact NH1-OD1 3.51Å; R84-D125 PolarHBondContact NH1-OD1 2.85Å; R84-D125 IonicContact NH1-OD2 3.14Å; R84-D125 PolarHBondContact NH1-OD2 3.35Å; R84-D125 IonicContact NH2-OD1 2.99Å; R84-D125 PolarHBondContact NH2-OD1 3.01Å; R84-D125 IonicContact NH2-OD2 2.72Å
85	E	93.8	Very high	94.1	Very high	125 Å²	125	38.5 Å²	38.5	58%	0.584	19%	0.188	S	C	*	.	H	α-helix	trans	-62.9	-44	171.6	-72.3	174.1	179.5	0	0	111.9	S81 K82	S81-E85 WeakPolarHBondContact O-CG 3.18Å; S81-E85 PolarHBondContact O-N 2.77Å; K82-E85 IonicContact NZ-OE1 3.95Å; K82-E85 PolarHBondContact NZ-OE1 2.82Å; K82-E85 IonicContact NZ-OE2 3.94Å; K82-E85 PolarHBondContact NZ-OE2 3.02Å; K82-E85 PolarHBondContact O-N 3Å
86	E	94.4	Very high	94.1	Very high	68 Å²	68	37.4 Å²	37.4	32%	0.318	18%	0.183	S	C	.	.	H	α-helix	trans	-81.9	-32.1	-175.8	-165.8	175.8	146.9	0	0	113.3	R49 K82 I83 P88	R49-E86 WeakPolarHBondContact CD-OE1 3.23Å; R49-E86 WeakPolarHBondContact CG-OE1 3.31Å; R49-E86 IonicContact CZ-OE1 3.88Å; R49-E86 IonicContact CZ-OE2 2.84Å; R49-E86 VanDerWaalsContact CZ-OE2 3.31Å; R49-E86 VanDerWaalsContact NE-CD 3.32Å; R49-E86 IonicContact NE-OE1 2.8Å; R49-E86 PolarHBondContact NE-OE1 2.94Å; R49-E86 IonicContact NE-OE2 3.9Å; R49-E86 PolarHBondContact NE-OE2 3.33Å; R49-E86 IonicContact NH2-OE2 3.27Å; R49-E86 PolarHBondContact NH2-OE2 3.37Å; K82-E86 PolarHBondContact O-N 2.88Å; K82-E86 VanDerWaalsContact O-N 3.08Å; I83-E86 PolarHBondContact O-N 2.87Å; E86-P88 VanDerWaalsContact C-CD 3.49Å
87	Y	94.3	Very high	94.1	Very high	45 Å²	45	38.6 Å²	38.6	18%	0.176	19%	0.188	C	C	.	.			trans	-129.3	62.9	-176.3	-57.4	-85	0	0	0	111.9	A52 F61 I83 D89 R90	A52-Y87 HydrophobicContact CB-CE1 4.28Å; F61-Y87 AromaticContact CE2-CD2 3.93Å; F61-Y87 HydrophobicContact CE2-CD2 3.93Å; F61-Y87 AromaticContact CE2-CG 3.83Å; F61-Y87 HydrophobicContact CE2-CG 3.83Å; F61-Y87 HydrophobicContact CZ-CD1 4.32Å; F61-Y87 AromaticContact CZ-CD2 3.68Å; F61-Y87 HydrophobicContact CZ-CD2 3.68Å; F61-Y87 HydrophobicContact CZ-CE2 4.08Å; F61-Y87 AromaticContact CZ-CG 3.84Å; F61-Y87 HydrophobicContact CZ-CG 3.84Å; I83-Y87 HydrophobicContact CG2-CD2 4.11Å; I83-Y87 WeakPolarHBondContact O-CA 3.47Å; I83-Y87 WeakPolarHBondContact O-CB 3.21Å; I83-Y87 PolarHBondContact O-N 2.98Å; Y87-D89 VanDerWaalsContact C-N 3.26Å; Y87-D89 PolarHBondContact O-N 3.19Å; Y87-R90 HydrophobicContact CD1-CG 4.42Å; Y87-R90 PolarHBondContact O-N 3.28Å; Y87-R90 VanDerWaalsContact O-N 3.17Å
88	P	92.1	Very high	93.8	Very high	75 Å²	75	38.7 Å²	38.7	49%	0.487	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.8	-175	25.2	-35.1	0	0	0	113.4	R84 E86 R90	R84-P88 WeakPolarHBondContact O-CA 3.33Å; E86-P88 VanDerWaalsContact C-CD 3.49Å; P88-R90 VanDerWaalsContact C-N 3.27Å; P88-R90 PolarHBondContact O-N 3.46Å
89	D	89.9	Confident	93.3	Very high	128 Å²	128	38.3 Å²	38.3	68%	0.684	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	1.6	-178.6	-62.8	-38.8	0	0	0	113.9	Y87 R179	Y87-D89 VanDerWaalsContact C-N 3.26Å; Y87-D89 PolarHBondContact O-N 3.19Å; D89-R179 PolarHBondContact O-NH2 3.02Å
90	R	92.3	Very high	92.5	Very high	92 Å²	92	37.3 Å²	37.3	35%	0.347	18%	0.182	S	C	.	.	S	Bend	trans	-104.6	143.1	-176.2	-57.8	-59	178.9	-171.2	-9	110.7	L58 F61 R84 Y87 P88	L58-R90 HydrophobicContact CD2-CG 4.43Å; L58-R90 WeakPolarHBondContact O-CD 3.33Å; L58-R90 VanDerWaalsContact O-CZ 3.31Å; L58-R90 PolarHBondContact O-NH1 3.35Å; F61-R90 HydrophobicContact CD2-CB 4.4Å; F61-R90 HydrophobicContact CE2-CB 4.08Å; F61-R90 HydrophobicContact CE2-CG 4.47Å; R84-R90 PolarHBondContact NH1-O 2.78Å; Y87-R90 HydrophobicContact CD1-CG 4.42Å; Y87-R90 PolarHBondContact O-N 3.28Å; Y87-R90 VanDerWaalsContact O-N 3.17Å; P88-R90 VanDerWaalsContact C-N 3.27Å; P88-R90 PolarHBondContact O-N 3.46Å
91	I	91.8	Very high	91.3	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.036	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	134	179.9	-66.4	-65.6	0	0	0	109.9	Q59 G60 F61 N93 D125 L178 R179 A182	Q59-I91 PolarHBondContact O-N 2.95Å; G60-I91 CarbonylContact C-O 3.58Å; G60-I91 WeakPolarHBondContact CA-O 3.29Å; F61-I91 PolarHBondContact N-O 2.9Å; I91-N93 WeakPolarHBondContact CG2-OD1 3.36Å; I91-D125 VanDerWaalsContact CA-OD2 3.31Å; I91-D125 WeakPolarHBondContact CA-OD2 3.2Å; I91-D125 HydrophobicContact CD1-CB 4.28Å; I91-D125 HydrophobicContact CG2-CB 4.31Å; I91-L178 HydrophobicContact CB-CB 4.36Å; I91-L178 HydrophobicContact CG1-CB 4.48Å; I91-L178 HydrophobicContact CG2-CB 4.13Å; I91-R179 HydrophobicContact CD1-CB 4.44Å; I91-R179 HydrophobicContact CG1-CB 4.21Å; I91-A182 HydrophobicContact CD1-CB 4.33Å
92	M	94.4	Very high	90.2	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.02	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	110.7	176.6	179.9	58.3	70.3	0	0	110.7	F61 I80 I83 T124 D125 E126	F61-M92 HydrophobicContact CB-CE 3.78Å; F61-M92 HydrophobicContact CB-SD 3.93Å; F61-M92 HydrophobicContact CD2-CE 4.07Å; F61-M92 HydrophobicContact CG-CE 4.19Å; I80-M92 HydrophobicContact CG1-SD 4.35Å; I80-M92 HydrophobicContact CG2-CE 4.48Å; I80-M92 HydrophobicContact CG2-CG 3.91Å; I80-M92 HydrophobicContact CG2-SD 4.38Å; I83-M92 HydrophobicContact CB-CE 3.73Å; I83-M92 HydrophobicContact CD1-CE 4.28Å; I83-M92 HydrophobicContact CG2-CE 3.34Å; M92-T124 HydrophobicContact CG-CG2 4.03Å; M92-D125 PolarHBondContact N-OD2 3.15Å; M92-D125 PolarHBondContact O-N 3.27Å; M92-E126 PolarHBondContact O-N 2.85Å
93	N	93.5	Very high	88.9	Confident	6 Å²	6	42.6 Å²	42.6	3%	0.032	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	137.6	-179.8	-77	16.8	0	0	0	111.2	F61 Q62 L63 I91 E126 L178	F61-N93 PolarHBondContact O-N 2.85Å; Q62-N93 CarbonylContact C-O 3.57Å; Q62-N93 VanDerWaalsContact CA-O 3.31Å; Q62-N93 WeakPolarHBondContact CA-O 3.45Å; L63-N93 PolarHBondContact N-O 3.34Å; I91-N93 WeakPolarHBondContact CG2-OD1 3.36Å; N93-E126 CarbonylContact C-O 3.57Å; N93-E126 WeakPolarHBondContact CA-O 3.45Å; N93-E126 PolarHBondContact ND2-OE2 2.75Å; N93-E126 WeakPolarHBondContact OD1-CB 3.33Å; N93-L178 WeakPolarHBondContact ND2-CD2 3.42Å
94	T	95.8	Very high	87.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.8	175.6	79	0	0	0	0	112.6	L63 I80 S96 L120 T124 E126 T127 Y128	L63-T94 HydrophobicContact CB-CG2 4.28Å; L63-T94 CarbonylContact O-C 3.57Å; L63-T94 WeakPolarHBondContact O-CA 3.36Å; I80-T94 HydrophobicContact CD1-CG2 3.74Å; T94-S96 PolarHBondContact OG1-OG 3.17Å; T94-L120 HydrophobicContact CG2-CD2 3.99Å; T94-T124 HydrophobicContact CG2-CG2 3.59Å; T94-E126 PolarHBondContact N-O 2.84Å; T94-T127 WeakPolarHBondContact OG1-CB 3.42Å; T94-T127 WeakPolarHBondContact OG1-CG2 3.44Å; T94-T127 PolarHBondContact OG1-OG1 3.42Å; T94-Y128 WeakPolarHBondContact O-CD2 3.39Å; T94-Y128 PolarHBondContact O-N 2.83Å
95	F	95.9	Very high	86.3	Confident	5 Å²	5	47.8 Å²	47.8	2%	0.022	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	97.9	165.1	-70.5	-92.7	0	0	0	106.7	Q62 L63 T64 H65 Y128 I130 M161 V164	Q62-F95 HydrophobicContact CG-CD2 3.79Å; Q62-F95 HydrophobicContact CG-CE2 3.69Å; Q62-F95 VanDerWaalsContact NE2-CD2 3.26Å; L63-F95 PolarHBondContact O-N 3.26Å; T64-F95 HydrophobicContact CG2-CB 4.14Å; T64-F95 HydrophobicContact CG2-CD2 4.49Å; H65-F95 PolarHBondContact N-O 2.92Å; H65-F95 VanDerWaalsContact N-O 3.08Å; F95-Y128 HydrophobicContact CD1-CD2 4.19Å; F95-Y128 HydrophobicContact CD1-CG 4.05Å; F95-Y128 HydrophobicContact CD2-CD2 4.43Å; F95-Y128 HydrophobicContact CE1-CD1 4.29Å; F95-Y128 AromaticContact CE1-CD2 3.78Å; F95-Y128 HydrophobicContact CE1-CD2 3.78Å; F95-Y128 HydrophobicContact CE1-CE2 4.47Å; F95-Y128 AromaticContact CE1-CG 3.71Å; F95-Y128 HydrophobicContact CE1-CG 3.71Å; F95-Y128 AromaticContact CE2-CD2 3.96Å; F95-Y128 HydrophobicContact CE2-CD2 3.96Å; F95-Y128 HydrophobicContact CE2-CE2 4.33Å; F95-Y128 AromaticContact CZ-CD2 3.66Å; F95-Y128 HydrophobicContact CZ-CD2 3.66Å; F95-Y128 HydrophobicContact CZ-CE2 4Å; F95-Y128 HydrophobicContact CZ-CG 4.07Å; F95-I130 HydrophobicContact CB-CD1 4.4Å; F95-I130 HydrophobicContact CD1-CD1 4.17Å; F95-M161 HydrophobicContact CD1-CG 3.62Å; F95-M161 HydrophobicContact CD1-SD 4.48Å; F95-M161 HydrophobicContact CD2-CE 4.22Å; F95-M161 HydrophobicContact CE1-CB 4.39Å; F95-M161 HydrophobicContact CE1-CG 3.7Å; F95-M161 HydrophobicContact CG-CE 4.21Å; F95-M161 HydrophobicContact CG-CG 4.15Å; F95-M161 HydrophobicContact CG-SD 4.5Å; F95-M161 HydrophobicContact CZ-CG 4.33Å; F95-V164 HydrophobicContact CE1-CG2 4.48Å; F95-V164 HydrophobicContact CZ-CB 4.35Å; F95-V164 HydrophobicContact CZ-CG1 4.1Å
96	S	95.1	Very high	85.7	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	110.3	-169.1	-69.1	0	0	0	0	110.1	H65 T94 V98 Y128 I130	H65-S96 PolarHBondContact CD2-OG 3.28Å; H65-S96 PolarHBondContact NE2-OG 3.47Å; T94-S96 PolarHBondContact OG1-OG 3.17Å; S96-V98 PolarHBondContact O-N 3.45Å; S96-Y128 PolarHBondContact N-O 3.41Å; S96-I130 PolarHBondContact O-N 2.87Å
97	V	93.3	Very high	85.3	Confident	33 Å²	33	44.4 Å²	44.4	20%	0.2	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	113.7	175.6	-174.6	0	0	0	0	109.4	H65 L67 I130 N132	H65-V97 PolarHBondContact O-N 3.28Å; L67-V97 PolarHBondContact N-O 3.32Å; V97-I130 CarbonylContact C-O 3.5Å; V97-I130 VanDerWaalsContact CA-O 3.26Å; V97-I130 WeakPolarHBondContact CA-O 3.42Å; V97-I130 HydrophobicContact CG2-CB 4.34Å; V97-I130 HydrophobicContact CG2-CG2 4.35Å; V97-N132 WeakPolarHBondContact CG1-ND2 3.05Å; V97-N132 WeakPolarHBondContact CG1-OD1 3.42Å
98	V	89.3	Confident	85.1	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.8	179.6	-178.4	0	0	0	0	109	L67 S96 I130 L305 I309	L67-V98 HydrophobicContact CD1-CG2 4.22Å; S96-V98 PolarHBondContact O-N 3.45Å; V98-I130 PolarHBondContact N-O 2.76Å; V98-L305 HydrophobicContact CB-CD1 4.3Å; V98-L305 HydrophobicContact CG1-CD1 4.13Å; V98-L305 HydrophobicContact CG1-CD2 3.98Å; V98-L305 HydrophobicContact CG1-CG 4.11Å; V98-L305 HydrophobicContact CG2-CD1 4.07Å; V98-L305 HydrophobicContact CG2-CD2 4.06Å; V98-I309 HydrophobicContact CG1-CD1 3.62Å; V98-I309 HydrophobicContact CG1-CG1 4.39Å
99	P	84.8	Confident	85.1	Confident	14 Å²	14	40 Å²	40	9%	0.091	21%	0.214	C	C	.	.			trans	-65.1	153.8	178.2	26	-33.8	0	0	0	112.4	E109 A113	P99-E109 HydrophobicContact CB-CB 3.72Å; P99-E109 HydrophobicContact CB-CG 4.21Å; P99-E109 WeakPolarHBondContact CB-OE2 3.33Å; P99-E109 HydrophobicContact CG-CB 4.02Å; P99-A113 HydrophobicContact CG-CB 3.9Å
100	S	79.3	Confident	85.2	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.			trans	-140.6	134.4	172	176.1	0	0	0	0	110.7	K102 V103 S104 E133	S100-K102 PolarHBondContact O-N 2.89Å; S100-K102 VanDerWaalsContact O-N 3.1Å; S100-K102 PolarHBondContact OG-N 2.8Å; S100-V103 PolarHBondContact O-N 2.84Å; S100-S104 PolarHBondContact O-N 3.17Å; S100-S104 VanDerWaalsContact O-N 3.13Å; S100-E133 VanDerWaalsContact OG-CB 3.28Å; S100-E133 WeakPolarHBondContact OG-CB 3.17Å; S100-E133 PolarHBondContact OG-OE2 3.08Å
101	P	69.4	Low	85.3	Confident	77 Å²	77	29.9 Å²	29.9	50%	0.5	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.6	178.2	26.9	-34.5	0	0	0	113.5
102	K	70.9	Confident	85.4	Confident	103 Å²	103	29.6 Å²	29.6	45%	0.448	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-21.5	173.9	-64.1	-171.3	-163.2	154.2	0	113.1	S100 E133 D137	S100-K102 PolarHBondContact O-N 2.89Å; S100-K102 VanDerWaalsContact O-N 3.1Å; S100-K102 PolarHBondContact OG-N 2.8Å; K102-E133 HydrophobicContact CD-CG 3.97Å; K102-E133 WeakPolarHBondContact CE-OE1 3.28Å; K102-E133 IonicContact NZ-OE1 2.7Å; K102-E133 PolarHBondContact NZ-OE1 3.4Å; K102-D137 IonicContact NZ-OD1 2.79Å; K102-D137 IonicContact NZ-OD2 3.25Å; K102-D137 PolarHBondContact NZ-OD2 2.75Å
103	V	68.4	Low	85.3	Confident	30 Å²	30	29.4 Å²	29.4	18%	0.182	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-26	-168.9	-178.9	0	0	0	0	112.1	S100 N132 Y136 Y150	S100-V103 PolarHBondContact O-N 2.84Å; V103-N132 HydrophobicContact CB-CB 4.13Å; V103-N132 HydrophobicContact CG1-CB 4.24Å; V103-N132 HydrophobicContact CG2-CB 4.03Å; V103-Y136 HydrophobicContact CG2-CD2 4.2Å; V103-Y136 HydrophobicContact CG2-CG 4.31Å; V103-Y150 HydrophobicContact CG1-CE1 3.9Å; V103-Y150 PolarHBondContact O-OH 2.81Å
104	S	67.7	Low	85.4	Confident	26 Å²	26	29.1 Å²	29.1	18%	0.182	16%	0.164	C	C	.	.			trans	-127.9	139.4	-179.7	-172.8	0	0	0	0	112.5	S100 T106 E109	S100-S104 PolarHBondContact O-N 3.17Å; S100-S104 VanDerWaalsContact O-N 3.13Å; S104-T106 VanDerWaalsContact C-N 3.34Å; S104-T106 PolarHBondContact OG-N 3.27Å; S104-E109 WeakPolarHBondContact CB-OE1 3.39Å; S104-E109 WeakPolarHBondContact CB-OE2 3.31Å; S104-E109 VanDerWaalsContact OG-CD 3.31Å; S104-E109 PolarHBondContact OG-OE1 2.86Å
105	D	66.9	Low	85.3	Confident	164 Å²	164	29.4 Å²	29.4	88%	0.877	17%	0.165	S	C	*	.			trans	-89.4	1	177.6	-64.4	-43.1	0	0	0	112.8	V107	D105-V107 PolarHBondContact O-N 3.5Å
106	T	81.3	Confident	85.3	Confident	39 Å²	39	29.1 Å²	29.1	24%	0.239	16%	0.164	C	C	.	.			trans	-78.2	118.1	-176.7	-59.1	0	0	0	0	110.5	N27 S104 V108 E109	N27-T106 HydrophobicContact CB-CG2 4.02Å; N27-T106 PolarHBondContact ND2-OG1 3.46Å; S104-T106 VanDerWaalsContact C-N 3.34Å; S104-T106 PolarHBondContact OG-N 3.27Å; T106-V108 VanDerWaalsContact C-N 3.34Å; T106-V108 HydrophobicContact CG2-CG2 3.61Å; T106-V108 PolarHBondContact O-N 2.81Å; T106-E109 HydrophobicContact CG2-CG 3.94Å; T106-E109 WeakPolarHBondContact O-CG 3.41Å
107	V	85	Confident	85.3	Confident	83 Å²	83	29.3 Å²	29.3	50%	0.503	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-22.6	-176.4	-62.1	0	0	0	0	114	D105 P110 M316 F322	D105-V107 PolarHBondContact O-N 3.5Å; V107-P110 WeakPolarHBondContact O-CD 3.2Å; V107-M316 WeakPolarHBondContact O-CE 3.39Å; V107-F322 HydrophobicContact CG2-CD2 4.08Å; V107-F322 HydrophobicContact CG2-CE2 3.53Å; V107-F322 HydrophobicContact CG2-CZ 3.83Å
108	V	90.7	Very high	85.3	Confident	4 Å²	4	29.4 Å²	29.4	2%	0.024	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-0.3	-174.8	-62.4	0	0	0	0	114.7	N27 T106 P110 Y111 N112 F322	N27-V108 HydrophobicContact CB-CG2 4.21Å; N27-V108 WeakPolarHBondContact O-CG2 3.28Å; T106-V108 VanDerWaalsContact C-N 3.34Å; T106-V108 HydrophobicContact CG2-CG2 3.61Å; T106-V108 PolarHBondContact O-N 2.81Å; V108-P110 VanDerWaalsContact C-CD 3.43Å; V108-Y111 WeakPolarHBondContact O-CB 3.5Å; V108-Y111 PolarHBondContact O-N 2.76Å; V108-Y111 VanDerWaalsContact O-N 3.12Å; V108-N112 PolarHBondContact O-N 3.11Å; V108-F322 HydrophobicContact CG1-CB 3.81Å; V108-F322 HydrophobicContact CG1-CD2 4.13Å; V108-F322 HydrophobicContact CG1-CG 3.9Å
109	E	90.8	Very high	85.5	Confident	22 Å²	22	31 Å²	31	10%	0.103	17%	0.171	C	C	.	.	H	α-helix	trans	-56.4	-37.7	-178.5	-63.6	-175.7	156.6	0	0	114.7	P99 S104 T106 Y111 N112 A113	P99-E109 HydrophobicContact CB-CB 3.72Å; P99-E109 HydrophobicContact CB-CG 4.21Å; P99-E109 WeakPolarHBondContact CB-OE2 3.33Å; P99-E109 HydrophobicContact CG-CB 4.02Å; S104-E109 WeakPolarHBondContact CB-OE1 3.39Å; S104-E109 WeakPolarHBondContact CB-OE2 3.31Å; S104-E109 VanDerWaalsContact OG-CD 3.31Å; S104-E109 PolarHBondContact OG-OE1 2.86Å; T106-E109 HydrophobicContact CG2-CG 3.94Å; T106-E109 WeakPolarHBondContact O-CG 3.41Å; E109-Y111 VanDerWaalsContact C-N 3.3Å; E109-Y111 PolarHBondContact O-N 3.37Å; E109-N112 PolarHBondContact O-N 2.86Å; E109-A113 WeakPolarHBondContact O-CB 3.49Å; E109-A113 PolarHBondContact O-N 2.99Å
110	P	92.3	Very high	86	Confident	9 Å²	9	30.4 Å²	30.4	6%	0.058	17%	0.167	C	C	.	.	H	α-helix	trans	-61.4	-36.4	176.7	-24.6	35.5	0	0	0	113	V107 V108 T114 Q312 F313 M316	V107-P110 WeakPolarHBondContact O-CD 3.2Å; V108-P110 VanDerWaalsContact C-CD 3.43Å; P110-T114 WeakPolarHBondContact O-CB 3.31Å; P110-T114 PolarHBondContact O-N 3.42Å; P110-T114 PolarHBondContact O-OG1 3.11Å; P110-T114 VanDerWaalsContact O-OG1 3.04Å; P110-Q312 HydrophobicContact CB-CB 3.93Å; P110-Q312 HydrophobicContact CG-CB 3.7Å; P110-F313 HydrophobicContact CB-CB 4.31Å; P110-M316 HydrophobicContact CB-CE 3.99Å; P110-M316 HydrophobicContact CG-CE 3.9Å
111	Y	93.9	Very high	86.7	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.1	-51.8	174.3	-72.3	-53.2	0	0	0	111.1	V108 E109 A113 T114 L115 F313 M316 F317 A321 Y326 F336	V108-Y111 WeakPolarHBondContact O-CB 3.5Å; V108-Y111 PolarHBondContact O-N 2.76Å; V108-Y111 VanDerWaalsContact O-N 3.12Å; E109-Y111 VanDerWaalsContact C-N 3.3Å; E109-Y111 PolarHBondContact O-N 3.37Å; Y111-A113 VanDerWaalsContact C-N 3.27Å; Y111-A113 PolarHBondContact O-N 3.31Å; Y111-T114 PolarHBondContact O-N 2.84Å; Y111-L115 VanDerWaalsContact O-CG 3.26Å; Y111-L115 WeakPolarHBondContact O-CG 3.39Å; Y111-L115 PolarHBondContact O-N 3.4Å; Y111-L115 VanDerWaalsContact O-N 3.09Å; Y111-F313 AromaticContact CD1-CD2 3.58Å; Y111-F313 HydrophobicContact CD1-CD2 3.58Å; Y111-F313 AromaticContact CD1-CE2 3.43Å; Y111-F313 HydrophobicContact CD1-CE2 3.43Å; Y111-F313 VanDerWaalsContact CD1-CE2 3.43Å; Y111-F313 HydrophobicContact CD1-CZ 4.21Å; Y111-F313 HydrophobicContact CE1-CD2 4.14Å; Y111-F313 AromaticContact CE1-CE2 3.98Å; Y111-F313 HydrophobicContact CE1-CE2 3.98Å; Y111-F313 HydrophobicContact CE1-CZ 4.35Å; Y111-F313 HydrophobicContact CG-CD2 4.5Å; Y111-M316 HydrophobicContact CD2-CE 3.55Å; Y111-M316 HydrophobicContact CE1-CB 4.44Å; Y111-M316 HydrophobicContact CE2-CB 4.02Å; Y111-M316 HydrophobicContact CE2-CE 3.62Å; Y111-M316 HydrophobicContact CE2-SD 4.23Å; Y111-M316 HydrophobicContact CG-CE 4.15Å; Y111-M316 PolarHBondContact OH-O 2.96Å; Y111-F317 HydrophobicContact CE1-CB 4.04Å; Y111-F317 HydrophobicContact CE1-CD2 4.12Å; Y111-F317 VanDerWaalsContact OH-CA 3.32Å; Y111-F317 WeakPolarHBondContact OH-CA 3.26Å; Y111-F317 PolarHBondContact OH-N 2.71Å; Y111-A321 VanDerWaalsContact CE2-O 3.25Å; Y111-A321 WeakPolarHBondContact CE2-O 3.5Å; Y111-A321 PolarHBondContact OH-O 2.98Å; Y111-Y326 WeakPolarHBondContact CB-OH 3.32Å; Y111-Y326 HydrophobicContact CD2-CE2 4.09Å; Y111-Y326 HydrophobicContact CG-CE2 4.45Å; Y111-F336 AromaticContact CD1-CD1 3.8Å; Y111-F336 HydrophobicContact CD1-CD1 3.8Å; Y111-F336 AromaticContact CD1-CE1 3.61Å; Y111-F336 HydrophobicContact CD1-CE1 3.61Å; Y111-F336 HydrophobicContact CE1-CD1 4.12Å; Y111-F336 HydrophobicContact CE1-CE1 4.15Å; Y111-F336 HydrophobicContact CG-CE1 4.07Å
112	N	94.3	Very high	87.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.5	-40.5	-179.8	-62	-29.6	0	0	0	111.6	N27 W29 L67 G68 G69 V108 E109 S116 Y326	N27-N112 PolarHBondContact O-ND2 3.39Å; W29-N112 HydrophobicContact CB-CB 4.23Å; W29-N112 WeakPolarHBondContact CB-OD1 3.41Å; W29-N112 PolarHBondContact N-OD1 2.91Å; L67-N112 CarbonylContact O-C 3.58Å; L67-N112 VanDerWaalsContact O-C 3.25Å; L67-N112 VanDerWaalsContact O-CB 3.32Å; L67-N112 WeakPolarHBondContact O-CB 3.49Å; G68-N112 PolarHBondContact O-ND2 3.46Å; G69-N112 WeakPolarHBondContact O-CB 3.26Å; G69-N112 PolarHBondContact O-ND2 3.4Å; V108-N112 PolarHBondContact O-N 3.11Å; E109-N112 PolarHBondContact O-N 2.86Å; N112-S116 VanDerWaalsContact O-CB 3.3Å; N112-S116 WeakPolarHBondContact O-CB 3.21Å; N112-S116 PolarHBondContact O-N 3.37Å; N112-S116 PolarHBondContact O-OG 3.09Å; N112-Y326 PolarHBondContact OD1-OH 3.15Å
113	A	93.6	Very high	88.8	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.5	-46.8	179.9	0	0	0	0	0	112.4	L67 P99 E109 Y111 L115 S116 V117 I309	L67-A113 HydrophobicContact CB-CB 4.2Å; L67-A113 PolarHBondContact O-N 2.9Å; P99-A113 HydrophobicContact CG-CB 3.9Å; E109-A113 WeakPolarHBondContact O-CB 3.49Å; E109-A113 PolarHBondContact O-N 2.99Å; Y111-A113 VanDerWaalsContact C-N 3.27Å; Y111-A113 PolarHBondContact O-N 3.31Å; A113-L115 PolarHBondContact O-N 2.93Å; A113-S116 PolarHBondContact O-N 3.32Å; A113-V117 VanDerWaalsContact O-CG2 3.31Å; A113-V117 WeakPolarHBondContact O-CG2 3.2Å; A113-V117 PolarHBondContact O-N 2.98Å; A113-I309 HydrophobicContact CB-CG2 3.96Å
114	T	94.4	Very high	90	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-60.5	-46.5	178.6	-61.7	0	0	0	0	111.6	P110 Y111 S116 V117 H118 F313 A339 M343	P110-T114 WeakPolarHBondContact O-CB 3.31Å; P110-T114 PolarHBondContact O-N 3.42Å; P110-T114 PolarHBondContact O-OG1 3.11Å; P110-T114 VanDerWaalsContact O-OG1 3.04Å; Y111-T114 PolarHBondContact O-N 2.84Å; T114-S116 VanDerWaalsContact C-N 3.3Å; T114-S116 PolarHBondContact O-N 3.44Å; T114-V117 PolarHBondContact O-N 3.05Å; T114-H118 PolarHBondContact O-N 3.06Å; T114-H118 VanDerWaalsContact O-N 3.11Å; T114-F313 HydrophobicContact CG2-CD2 3.85Å; T114-F313 HydrophobicContact CG2-CE2 3.79Å; T114-F313 HydrophobicContact CG2-CG 4.3Å; T114-F313 HydrophobicContact CG2-CZ 4.28Å; T114-F313 VanDerWaalsContact OG1-CD2 3.29Å; T114-F313 WeakPolarHBondContact OG1-CD2 3.1Å; T114-A339 HydrophobicContact CG2-CB 4.05Å; T114-M343 HydrophobicContact CG2-CE 4.25Å
115	L	95.1	Very high	91.2	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-63	-37.9	177.4	-63.9	172.6	0	0	0	112.1	W29 Y111 A113 Q119 Y326 M331 F336 A339	W29-L115 HydrophobicContact CB-CD1 4.27Å; W29-L115 HydrophobicContact CD2-CB 3.81Å; W29-L115 HydrophobicContact CD2-CD1 3.89Å; W29-L115 HydrophobicContact CD2-CG 4.5Å; W29-L115 HydrophobicContact CE3-CB 4.21Å; W29-L115 HydrophobicContact CE3-CD1 3.7Å; W29-L115 HydrophobicContact CG-CB 4.12Å; W29-L115 HydrophobicContact CG-CD1 4.15Å; W29-L115 HydrophobicContact CZ2-CB 4.19Å; W29-L115 HydrophobicContact CZ3-CD1 4.34Å; Y111-L115 VanDerWaalsContact O-CG 3.26Å; Y111-L115 WeakPolarHBondContact O-CG 3.39Å; Y111-L115 PolarHBondContact O-N 3.4Å; Y111-L115 VanDerWaalsContact O-N 3.09Å; A113-L115 PolarHBondContact O-N 2.93Å; L115-Q119 PolarHBondContact O-N 3.25Å; L115-Y326 HydrophobicContact CD1-CD1 4.42Å; L115-Y326 HydrophobicContact CD1-CE1 4.38Å; L115-M331 HydrophobicContact CD1-CE 3.63Å; L115-M331 HydrophobicContact CD1-SD 4.05Å; L115-M331 HydrophobicContact CD2-CE 3.38Å; L115-M331 HydrophobicContact CG-CE 4.13Å; L115-F336 HydrophobicContact CD1-CE1 3.91Å; L115-F336 HydrophobicContact CD1-CZ 4.1Å; L115-F336 HydrophobicContact CD2-CD1 4.43Å; L115-A339 HydrophobicContact CD2-CB 3.75Å
116	S	95.1	Very high	92.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-71.4	-42	178.9	-56.9	0	0	0	0	112.8	W29 S73 N112 A113 T114 H118 Q119 L120	W29-S116 VanDerWaalsContact CD1-OG 3.28Å; W29-S116 PolarHBondContact NE1-OG 3.37Å; S73-S116 VanDerWaalsContact CB-OG 3.22Å; S73-S116 WeakPolarHBondContact CB-OG 3.39Å; N112-S116 VanDerWaalsContact O-CB 3.3Å; N112-S116 WeakPolarHBondContact O-CB 3.21Å; N112-S116 PolarHBondContact O-N 3.37Å; N112-S116 PolarHBondContact O-OG 3.09Å; A113-S116 PolarHBondContact O-N 3.32Å; T114-S116 VanDerWaalsContact C-N 3.3Å; T114-S116 PolarHBondContact O-N 3.44Å; S116-H118 VanDerWaalsContact C-N 3.29Å; S116-H118 PolarHBondContact O-N 3.49Å; S116-Q119 PolarHBondContact O-N 3.2Å; S116-Q119 VanDerWaalsContact O-N 3.15Å; S116-L120 VanDerWaalsContact O-CG 3.31Å; S116-L120 WeakPolarHBondContact O-CG 3.4Å; S116-L120 PolarHBondContact O-N 3.34Å
117	V	94.1	Very high	93.1	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.018	10%	0.095	C	C	.	.	H	α-helix	trans	-63.2	-39.4	178.8	169.8	0	0	0	0	110.6	L67 A113 T114 Q119 L120 V121 F193 F306 M343 L346	L67-V117 HydrophobicContact CD1-CG2 4.03Å; A113-V117 VanDerWaalsContact O-CG2 3.31Å; A113-V117 WeakPolarHBondContact O-CG2 3.2Å; A113-V117 PolarHBondContact O-N 2.98Å; T114-V117 PolarHBondContact O-N 3.05Å; V117-Q119 PolarHBondContact O-N 3.03Å; V117-L120 PolarHBondContact O-N 3.3Å; V117-V121 HydrophobicContact CG1-CG2 4.12Å; V117-V121 VanDerWaalsContact O-CG2 3.26Å; V117-V121 WeakPolarHBondContact O-CG2 3.26Å; V117-V121 PolarHBondContact O-N 3.25Å; V117-F193 HydrophobicContact CG1-CZ 4.27Å; V117-F306 HydrophobicContact CG1-CD1 4.28Å; V117-F306 HydrophobicContact CG1-CE1 3.78Å; V117-F306 HydrophobicContact CG2-CE1 4.08Å; V117-M343 HydrophobicContact CB-CE 3.38Å; V117-M343 HydrophobicContact CB-SD 4.39Å; V117-M343 HydrophobicContact CG1-CE 3.4Å; V117-M343 HydrophobicContact CG1-SD 3.75Å; V117-M343 HydrophobicContact CG2-CE 3.87Å; V117-L346 HydrophobicContact CG1-CD2 4.39Å
118	H	94.3	Very high	93.6	Very high	36 Å²	36	14.3 Å²	14.3	17%	0.167	7%	0.071	C	C	.	.	H	α-helix	trans	-52.9	-44.7	173.6	167.3	48.9	0	0	0	111.8	T114 S116 E122 A339 N342	T114-H118 PolarHBondContact O-N 3.06Å; T114-H118 VanDerWaalsContact O-N 3.11Å; S116-H118 VanDerWaalsContact C-N 3.29Å; S116-H118 PolarHBondContact O-N 3.49Å; H118-E122 IonicContact CE1-OE1 2.75Å; H118-A339 HydrophobicContact CB-CB 3.93Å; H118-N342 PolarHBondContact ND1-ND2 3.22Å
119	Q	94.4	Very high	93.8	Very high	36 Å²	36	14.3 Å²	14.3	17%	0.168	7%	0.071	C	C	.	.	H	α-helix	trans	-70.8	-33.9	176.3	-64.8	-62.5	-39.1	0	0	113.5	W29 T77 L115 S116 V117 N123	W29-Q119 HydrophobicContact CZ2-CG 4.18Å; T77-Q119 HydrophobicContact CG2-CB 3.75Å; T77-Q119 HydrophobicContact CG2-CG 4.4Å; L115-Q119 PolarHBondContact O-N 3.25Å; S116-Q119 PolarHBondContact O-N 3.2Å; S116-Q119 VanDerWaalsContact O-N 3.15Å; V117-Q119 PolarHBondContact O-N 3.03Å; Q119-N123 WeakPolarHBondContact O-CB 3.31Å; Q119-N123 PolarHBondContact O-N 3.48Å; Q119-N123 VanDerWaalsContact O-N 3.16Å; Q119-N123 PolarHBondContact O-ND2 3.29Å; Q119-N123 PolarHBondContact OE1-ND2 2.75Å
120	L	94.5	Very high	93.9	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-68.8	-37.9	179.3	-69.5	171.9	0	0	0	112.3	L67 I80 T94 S116 V117 E122 N123 T124 T127 H192 F193	L67-L120 HydrophobicContact CD1-CD1 4.23Å; L67-L120 HydrophobicContact CD2-CD1 3.66Å; I80-L120 HydrophobicContact CD1-CD2 3.59Å; T94-L120 HydrophobicContact CG2-CD2 3.99Å; S116-L120 VanDerWaalsContact O-CG 3.31Å; S116-L120 WeakPolarHBondContact O-CG 3.4Å; S116-L120 PolarHBondContact O-N 3.34Å; V117-L120 PolarHBondContact O-N 3.3Å; L120-E122 PolarHBondContact O-N 2.77Å; L120-N123 PolarHBondContact O-N 3.15Å; L120-T124 HydrophobicContact CB-CG2 4.46Å; L120-T124 HydrophobicContact CD2-CG2 3.53Å; L120-T124 PolarHBondContact O-N 2.99Å; L120-T124 VanDerWaalsContact O-N 3.17Å; L120-T124 PolarHBondContact O-OG1 3.26Å; L120-T127 HydrophobicContact CD1-CG2 4.46Å; L120-H192 PolarHBondContact O-NE2 3.45Å; L120-F193 HydrophobicContact CB-CE1 4.28Å; L120-F193 HydrophobicContact CB-CZ 4.34Å
121	V	93.9	Very high	93.9	Very high	6 Å²	6	13 Å²	13	4%	0.036	6%	0.064	C	C	.	.	H	α-helix	trans	-57.6	-32.5	179.6	171.3	0	0	0	0	112	V117 R190 H192 F193 L346	V117-V121 HydrophobicContact CG1-CG2 4.12Å; V117-V121 VanDerWaalsContact O-CG2 3.26Å; V117-V121 WeakPolarHBondContact O-CG2 3.26Å; V117-V121 PolarHBondContact O-N 3.25Å; V121-R190 HydrophobicContact CG1-CB 4.28Å; V121-R190 HydrophobicContact CG1-CG 4.09Å; V121-H192 PolarHBondContact O-CE1 3.5Å; V121-F193 HydrophobicContact CG2-CE2 3.76Å; V121-F193 HydrophobicContact CG2-CZ 3.68Å; V121-L346 HydrophobicContact CG2-CD1 4.46Å; V121-L346 HydrophobicContact CG2-CD2 3.86Å
122	E	90.6	Very high	93.6	Very high	111 Å²	111	14.2 Å²	14.2	52%	0.519	7%	0.071	S	C	.	.	H	α-helix	trans	-98.7	-33.4	-175.9	-63.3	-176.7	178	0	0	113	H118 L120	H118-E122 IonicContact CE1-OE1 2.75Å; L120-E122 PolarHBondContact O-N 2.77Å
123	N	93.4	Very high	93.2	Very high	24 Å²	24	15.7 Å²	15.7	13%	0.128	8%	0.078	C	C	.	.	H	α-helix	trans	-106.1	-2.9	-166.8	-60.4	-65.5	0	0	0	114.7	I80 Q119 L120	I80-N123 HydrophobicContact CG2-CB 3.57Å; I80-N123 WeakPolarHBondContact CG2-O 3.48Å; Q119-N123 WeakPolarHBondContact O-CB 3.31Å; Q119-N123 PolarHBondContact O-N 3.48Å; Q119-N123 VanDerWaalsContact O-N 3.16Å; Q119-N123 PolarHBondContact O-ND2 3.29Å; Q119-N123 PolarHBondContact OE1-ND2 2.75Å; L120-N123 PolarHBondContact O-N 3.15Å
124	T	94.1	Very high	93	Very high	6 Å²	6	16.1 Å²	16.1	4%	0.037	8%	0.081	C	C	.	.			trans	-118.1	146.6	-179.4	71.4	0	0	0	0	112.7	I80 M92 T94 L120 T127 H192	I80-T124 HydrophobicContact CD1-CG2 3.98Å; I80-T124 HydrophobicContact CG2-CG2 3.77Å; M92-T124 HydrophobicContact CG-CG2 4.03Å; T94-T124 HydrophobicContact CG2-CG2 3.59Å; L120-T124 HydrophobicContact CB-CG2 4.46Å; L120-T124 HydrophobicContact CD2-CG2 3.53Å; L120-T124 PolarHBondContact O-N 2.99Å; L120-T124 VanDerWaalsContact O-N 3.17Å; L120-T124 PolarHBondContact O-OG1 3.26Å; T124-T127 PolarHBondContact OG1-OG1 3.14Å; T124-H192 PolarHBondContact O-CE1 3.39Å; T124-H192 PolarHBondContact O-NE2 3.4Å; T124-H192 PolarHBondContact OG1-CD2 2.97Å; T124-H192 PolarHBondContact OG1-NE2 3.42Å
125	D	93.3	Very high	92.8	Very high	35 Å²	35	16.1 Å²	16.1	19%	0.187	8%	0.081	C	C	.	.	S	Bend	trans	-93	-31.4	177.2	-56.9	-64.9	0	0	0	111.1	R84 I91 M92 H192	R84-D125 IonicContact CZ-OD1 3Å; R84-D125 IonicContact CZ-OD2 2.88Å; R84-D125 IonicContact NH1-OD1 3.51Å; R84-D125 PolarHBondContact NH1-OD1 2.85Å; R84-D125 IonicContact NH1-OD2 3.14Å; R84-D125 PolarHBondContact NH1-OD2 3.35Å; R84-D125 IonicContact NH2-OD1 2.99Å; R84-D125 PolarHBondContact NH2-OD1 3.01Å; R84-D125 IonicContact NH2-OD2 2.72Å; I91-D125 VanDerWaalsContact CA-OD2 3.31Å; I91-D125 WeakPolarHBondContact CA-OD2 3.2Å; I91-D125 HydrophobicContact CD1-CB 4.28Å; I91-D125 HydrophobicContact CG2-CB 4.31Å; M92-D125 PolarHBondContact N-OD2 3.15Å; M92-D125 PolarHBondContact O-N 3.27Å; D125-H192 WeakPolarHBondContact O-CB 3.42Å
126	E	93.1	Very high	92.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	128.4	175.6	-58.7	-178	175.3	0	0	111.3	M92 N93 T94 Y128 A182 F194	M92-E126 PolarHBondContact O-N 2.85Å; N93-E126 CarbonylContact C-O 3.57Å; N93-E126 WeakPolarHBondContact CA-O 3.45Å; N93-E126 PolarHBondContact ND2-OE2 2.75Å; N93-E126 WeakPolarHBondContact OD1-CB 3.33Å; T94-E126 PolarHBondContact N-O 2.84Å; E126-Y128 HydrophobicContact CB-CE2 4.22Å; E126-Y128 PolarHBondContact OE2-OH 3.39Å; E126-A182 HydrophobicContact CG-CB 4.15Å; E126-A182 WeakPolarHBondContact OE1-CA 3.36Å; E126-A182 VanDerWaalsContact OE1-CB 3.31Å; E126-A182 WeakPolarHBondContact OE1-CB 3.49Å; E126-A182 PolarHBondContact OE1-N 2.92Å; E126-F194 HydrophobicContact CB-CD2 4.38Å; E126-F194 HydrophobicContact CB-CE2 3.68Å; E126-F194 HydrophobicContact CB-CZ 4.43Å; E126-F194 HydrophobicContact CG-CE2 3.68Å; E126-F194 HydrophobicContact CG-CZ 4.14Å
127	T	95.3	Very high	92.2	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	115	174.4	-72.2	0	0	0	0	111	T94 L120 T124 C129 H192 F193 F194	T94-T127 WeakPolarHBondContact OG1-CB 3.42Å; T94-T127 WeakPolarHBondContact OG1-CG2 3.44Å; T94-T127 PolarHBondContact OG1-OG1 3.42Å; L120-T127 HydrophobicContact CD1-CG2 4.46Å; T124-T127 PolarHBondContact OG1-OG1 3.14Å; T127-C129 PolarHBondContact O-N 3.41Å; T127-H192 PolarHBondContact N-O 3.08Å; T127-F193 HydrophobicContact CG2-CD1 3.59Å; T127-F193 HydrophobicContact CG2-CE1 3.78Å; T127-F193 CarbonylContact O-C 3.47Å; T127-F193 WeakPolarHBondContact O-CA 3.48Å; T127-F194 PolarHBondContact O-N 3.38Å
128	Y	95.3	Very high	92	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	106.4	174	-62.1	-90	0	0	0	109.4	T94 F95 S96 E126 I130 V164 L181 F194 I296	T94-Y128 WeakPolarHBondContact O-CD2 3.39Å; T94-Y128 PolarHBondContact O-N 2.83Å; F95-Y128 HydrophobicContact CD1-CD2 4.19Å; F95-Y128 HydrophobicContact CD1-CG 4.05Å; F95-Y128 HydrophobicContact CD2-CD2 4.43Å; F95-Y128 HydrophobicContact CE1-CD1 4.29Å; F95-Y128 AromaticContact CE1-CD2 3.78Å; F95-Y128 HydrophobicContact CE1-CD2 3.78Å; F95-Y128 HydrophobicContact CE1-CE2 4.47Å; F95-Y128 AromaticContact CE1-CG 3.71Å; F95-Y128 HydrophobicContact CE1-CG 3.71Å; F95-Y128 AromaticContact CE2-CD2 3.96Å; F95-Y128 HydrophobicContact CE2-CD2 3.96Å; F95-Y128 HydrophobicContact CE2-CE2 4.33Å; F95-Y128 AromaticContact CZ-CD2 3.66Å; F95-Y128 HydrophobicContact CZ-CD2 3.66Å; F95-Y128 HydrophobicContact CZ-CE2 4Å; F95-Y128 HydrophobicContact CZ-CG 4.07Å; S96-Y128 PolarHBondContact N-O 3.41Å; E126-Y128 HydrophobicContact CB-CE2 4.22Å; E126-Y128 PolarHBondContact OE2-OH 3.39Å; Y128-I130 PolarHBondContact O-N 3.21Å; Y128-V164 HydrophobicContact CD1-CG1 4.43Å; Y128-V164 HydrophobicContact CD1-CG2 4.2Å; Y128-V164 HydrophobicContact CE1-CB 4.41Å; Y128-V164 HydrophobicContact CE1-CG1 3.58Å; Y128-V164 HydrophobicContact CE1-CG2 3.89Å; Y128-V164 HydrophobicContact CE2-CG1 4.14Å; Y128-V164 VanDerWaalsContact CZ-CG1 3.44Å; Y128-V164 WeakPolarHBondContact OH-CG1 3.23Å; Y128-L181 WeakPolarHBondContact OH-CD2 3.29Å; Y128-F194 HydrophobicContact CD1-CB 4.23Å; Y128-F194 HydrophobicContact CD1-CD2 4.1Å; Y128-F194 AromaticContact CE1-CD2 3.74Å; Y128-F194 HydrophobicContact CE1-CD2 3.74Å; Y128-F194 HydrophobicContact CE2-CD2 4.39Å; Y128-F194 AromaticContact CZ-CD2 3.85Å; Y128-I296 HydrophobicContact CD1-CG2 4.32Å; Y128-I296 HydrophobicContact CE1-CD1 4.08Å; Y128-I296 HydrophobicContact CE1-CG1 4.22Å; Y128-I296 HydrophobicContact CE1-CG2 3.7Å
129	C	94.3	Very high	91.7	Very high	4 Å²	4	19.1 Å²	19.1	3%	0.027	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	111.6	179.5	-67.7	0	0	0	0	110.4	T127 F194 P196 I302	T127-C129 PolarHBondContact O-N 3.41Å; C129-F194 WeakPolarHBondContact CB-O 3.3Å; C129-F194 PolarHBondContact N-O 2.89Å; C129-P196 WeakPolarHBondContact O-CD 3.37Å; C129-P196 WeakPolarHBondContact O-CG 3.48Å; C129-I302 HydrophobicContact CB-CD1 4Å
130	I	93.4	Very high	91.4	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.015	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.4	176.6	-63	175.5	0	0	0	107.8	F95 S96 V97 V98 Y128 L135 V157 P196	F95-I130 HydrophobicContact CB-CD1 4.4Å; F95-I130 HydrophobicContact CD1-CD1 4.17Å; S96-I130 PolarHBondContact O-N 2.87Å; V97-I130 CarbonylContact C-O 3.5Å; V97-I130 VanDerWaalsContact CA-O 3.26Å; V97-I130 WeakPolarHBondContact CA-O 3.42Å; V97-I130 HydrophobicContact CG2-CB 4.34Å; V97-I130 HydrophobicContact CG2-CG2 4.35Å; V98-I130 PolarHBondContact N-O 2.76Å; Y128-I130 PolarHBondContact O-N 3.21Å; I130-L135 HydrophobicContact CG2-CD1 3.55Å; I130-L135 HydrophobicContact CG2-CG 4.25Å; I130-V157 HydrophobicContact CD1-CG1 3.77Å; I130-V157 HydrophobicContact CD1-CG2 4.28Å; I130-V157 HydrophobicContact CG2-CG2 3.73Å; I130-P196 HydrophobicContact CG1-CG 4.23Å
131	D	91.1	Very high	91	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.8	-179.1	-168.6	-14.1	0	0	0	111	E133 A134 L135 M228 A230 L305 R308	D131-E133 PolarHBondContact O-N 2.85Å; D131-E133 VanDerWaalsContact OD1-CB 3.26Å; D131-E133 WeakPolarHBondContact OD1-CB 3.5Å; D131-E133 PolarHBondContact OD1-N 2.89Å; D131-A134 HydrophobicContact CB-CB 4.15Å; D131-A134 PolarHBondContact O-N 2.86Å; D131-L135 WeakPolarHBondContact O-CG 3.49Å; D131-L135 PolarHBondContact O-N 2.78Å; D131-M228 PolarHBondContact N-O 3.28Å; D131-A230 WeakPolarHBondContact OD2-CB 3.2Å; D131-A230 PolarHBondContact OD2-N 2.78Å; D131-L305 HydrophobicContact CB-CD1 4.2Å; D131-R308 IonicContact OD1-NH2 3.74Å; D131-R308 IonicContact OD2-CZ 3.96Å; D131-R308 VanDerWaalsContact OD2-CZ 3.32Å; D131-R308 IonicContact OD2-NH1 3.56Å; D131-R308 PolarHBondContact OD2-NH1 3.45Å; D131-R308 IonicContact OD2-NH2 3.83Å; D131-R308 PolarHBondContact OD2-NH2 3.3Å
132	N	87.6	Confident	90.6	Very high	26 Å²	26	31.2 Å²	31.2	14%	0.139	15%	0.145	C	C	.	.	H	α-helix	trans	-59.2	-29.5	173.9	-80.4	-24.1	0	0	0	112.4	V97 V103 Y136	V97-N132 WeakPolarHBondContact CG1-ND2 3.05Å; V97-N132 WeakPolarHBondContact CG1-OD1 3.42Å; V103-N132 HydrophobicContact CB-CB 4.13Å; V103-N132 HydrophobicContact CG1-CB 4.24Å; V103-N132 HydrophobicContact CG2-CB 4.03Å; N132-Y136 VanDerWaalsContact O-CB 3.29Å; N132-Y136 WeakPolarHBondContact O-CB 3.36Å; N132-Y136 PolarHBondContact O-N 2.81Å
133	E	86.9	Confident	90.3	Very high	32 Å²	32	27.3 Å²	27.3	15%	0.15	13%	0.127	C	C	.	.	H	α-helix	trans	-63.7	-48.9	175.5	-163.4	167	163.4	0	0	111.7	S100 K102 D131 Y136 D137 A230 R308	S100-E133 VanDerWaalsContact OG-CB 3.28Å; S100-E133 WeakPolarHBondContact OG-CB 3.17Å; S100-E133 PolarHBondContact OG-OE2 3.08Å; K102-E133 HydrophobicContact CD-CG 3.97Å; K102-E133 WeakPolarHBondContact CE-OE1 3.28Å; K102-E133 IonicContact NZ-OE1 2.7Å; K102-E133 PolarHBondContact NZ-OE1 3.4Å; D131-E133 PolarHBondContact O-N 2.85Å; D131-E133 VanDerWaalsContact OD1-CB 3.26Å; D131-E133 WeakPolarHBondContact OD1-CB 3.5Å; D131-E133 PolarHBondContact OD1-N 2.89Å; E133-Y136 PolarHBondContact O-N 2.88Å; E133-D137 WeakPolarHBondContact O-CB 3.29Å; E133-D137 PolarHBondContact O-N 3.43Å; E133-A230 HydrophobicContact CB-CB 4.07Å; E133-A230 HydrophobicContact CG-CB 4.38Å; E133-R308 IonicContact OE2-CZ 3.63Å; E133-R308 IonicContact OE2-NH1 3.43Å; E133-R308 PolarHBondContact OE2-NH1 2.79Å
134	A	89.4	Confident	90	Very high	8 Å²	8	33.5 Å²	33.5	7%	0.066	15%	0.153	C	C	.	.	H	α-helix	trans	-65.6	-43.4	179.6	0	0	0	0	0	111.3	D131 Y136 D137 I138 A230	D131-A134 HydrophobicContact CB-CB 4.15Å; D131-A134 PolarHBondContact O-N 2.86Å; A134-Y136 VanDerWaalsContact C-N 3.32Å; A134-Y136 PolarHBondContact O-N 2.82Å; A134-D137 PolarHBondContact O-N 3Å; A134-I138 WeakPolarHBondContact O-CB 3.35Å; A134-I138 VanDerWaalsContact O-CG1 3.29Å; A134-I138 WeakPolarHBondContact O-CG1 3.49Å; A134-I138 PolarHBondContact O-N 3.46Å; A134-A230 HydrophobicContact CB-CB 4.06Å
135	L	90.3	Very high	89.5	Confident	1 Å²	1	36 Å²	36	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-59.3	-43.4	175.4	-68.9	177.2	0	0	0	112	I130 D131 I138 C139 L153 L156 V157 M228	I130-L135 HydrophobicContact CG2-CD1 3.55Å; I130-L135 HydrophobicContact CG2-CG 4.25Å; D131-L135 WeakPolarHBondContact O-CG 3.49Å; D131-L135 PolarHBondContact O-N 2.78Å; L135-I138 PolarHBondContact O-N 3.41Å; L135-C139 WeakPolarHBondContact O-CB 3.4Å; L135-C139 PolarHBondContact O-N 2.86Å; L135-C139 PolarHBondContact O-SG 3.25Å; L135-C139 VanDerWaalsContact O-SG 3.36Å; L135-L153 HydrophobicContact CB-CB 4.45Å; L135-L153 HydrophobicContact CB-CD2 3.49Å; L135-L153 VanDerWaalsContact CB-CD2 3.49Å; L135-L153 HydrophobicContact CB-CG 3.93Å; L135-L153 HydrophobicContact CD1-CB 4.27Å; L135-L153 HydrophobicContact CD1-CD2 3.98Å; L135-L153 HydrophobicContact CG-CD2 4.41Å; L135-L156 HydrophobicContact CD2-CB 3.77Å; L135-L156 HydrophobicContact CD2-CD1 3.87Å; L135-L156 HydrophobicContact CD2-CG 4.49Å; L135-V157 HydrophobicContact CD1-CG2 3.63Å; L135-V157 HydrophobicContact CD2-CG2 4.33Å; L135-M228 HydrophobicContact CD2-SD 3.36Å; L135-M228 WeakPolarHBondContact CD2-SD 3.31Å
136	Y	88.8	Confident	89.1	Confident	70 Å²	70	39.7 Å²	39.7	28%	0.275	19%	0.19	S	C	.	.	H	α-helix	trans	-64.1	-46	176.9	-170.2	-87.5	0	0	0	111.4	V103 N132 E133 A134 I138 C139 F140 P148	V103-Y136 HydrophobicContact CG2-CD2 4.2Å; V103-Y136 HydrophobicContact CG2-CG 4.31Å; N132-Y136 VanDerWaalsContact O-CB 3.29Å; N132-Y136 WeakPolarHBondContact O-CB 3.36Å; N132-Y136 PolarHBondContact O-N 2.81Å; E133-Y136 PolarHBondContact O-N 2.88Å; A134-Y136 VanDerWaalsContact C-N 3.32Å; A134-Y136 PolarHBondContact O-N 2.82Å; Y136-I138 PolarHBondContact O-N 3.27Å; Y136-C139 PolarHBondContact O-N 2.96Å; Y136-F140 HydrophobicContact CE1-CB 4.33Å; Y136-F140 VanDerWaalsContact O-CB 3.32Å; Y136-F140 WeakPolarHBondContact O-CB 3.48Å; Y136-F140 PolarHBondContact O-N 3.4Å; Y136-P148 HydrophobicContact CD2-CB 4.02Å; Y136-P148 HydrophobicContact CD2-CG 4.05Å; Y136-P148 HydrophobicContact CE2-CB 3.96Å; Y136-P148 HydrophobicContact CE2-CG 3.75Å
137	D	89.1	Confident	88.7	Confident	35 Å²	35	44.9 Å²	44.9	19%	0.187	22%	0.222	C	C	.	.	H	α-helix	trans	-64.4	-37.5	179	-80.8	-25	0	0	0	112.1	K102 E133 A134 R141	K102-D137 IonicContact NZ-OD1 2.79Å; K102-D137 IonicContact NZ-OD2 3.25Å; K102-D137 PolarHBondContact NZ-OD2 2.75Å; E133-D137 WeakPolarHBondContact O-CB 3.29Å; E133-D137 PolarHBondContact O-N 3.43Å; A134-D137 PolarHBondContact O-N 3Å; D137-R141 WeakPolarHBondContact O-CB 3.41Å; D137-R141 WeakPolarHBondContact O-CG 3.33Å; D137-R141 PolarHBondContact O-N 3.43Å; D137-R141 IonicContact OD1-NE 3.42Å
138	I	89.3	Confident	88.3	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.015	23%	0.227	C	C	.	.	I	π-helix	trans	-61.7	-51.1	172.2	-73.5	166.2	0	0	0	110.7	A134 L135 Y136 F140 T142 L143 L156 L201 K225 M227 M228	A134-I138 WeakPolarHBondContact O-CB 3.35Å; A134-I138 VanDerWaalsContact O-CG1 3.29Å; A134-I138 WeakPolarHBondContact O-CG1 3.49Å; A134-I138 PolarHBondContact O-N 3.46Å; L135-I138 PolarHBondContact O-N 3.41Å; Y136-I138 PolarHBondContact O-N 3.27Å; I138-F140 VanDerWaalsContact C-N 3.33Å; I138-F140 PolarHBondContact O-N 2.93Å; I138-T142 WeakPolarHBondContact O-CA 3.37Å; I138-T142 VanDerWaalsContact O-CB 3.23Å; I138-T142 WeakPolarHBondContact O-CB 3.36Å; I138-T142 PolarHBondContact O-N 3.15Å; I138-L143 PolarHBondContact O-N 2.94Å; I138-L156 HydrophobicContact CB-CD1 4.21Å; I138-L156 HydrophobicContact CG2-CD1 3.68Å; I138-L201 HydrophobicContact CD1-CD1 4.11Å; I138-L201 HydrophobicContact CG1-CD1 4.35Å; I138-L201 HydrophobicContact CG2-CD1 3.79Å; I138-L201 HydrophobicContact CG2-CD2 4.3Å; I138-K225 VanDerWaalsContact CG1-O 3.27Å; I138-K225 WeakPolarHBondContact CG1-O 3.16Å; I138-M227 WeakPolarHBondContact CD1-O 3.24Å; I138-M228 HydrophobicContact CD1-CE 4.29Å; I138-M228 HydrophobicContact CD1-SD 3.68Å
139	C	88.8	Confident	87.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.25	C	C	.	.	I	π-helix	trans	-60.5	-44.5	-179.4	-76	0	0	0	0	111.7	L135 Y136 L143 K144 L145 P148	L135-C139 WeakPolarHBondContact O-CB 3.4Å; L135-C139 PolarHBondContact O-N 2.86Å; L135-C139 PolarHBondContact O-SG 3.25Å; L135-C139 VanDerWaalsContact O-SG 3.36Å; Y136-C139 PolarHBondContact O-N 2.96Å; C139-L143 CarbonylContact O-C 3.58Å; C139-L143 WeakPolarHBondContact O-CB 3.39Å; C139-K144 PolarHBondContact O-N 3.17Å; C139-L145 HydrophobicContact CB-CD1 4.33Å; C139-L145 WeakPolarHBondContact O-CB 3.11Å; C139-L145 PolarHBondContact O-N 2.8Å; C139-P148 HydrophobicContact CB-CB 3.72Å; C139-P148 HydrophobicContact CB-CG 3.77Å
140	F	87.6	Confident	87.6	Confident	98 Å²	98	55.5 Å²	55.5	43%	0.43	27%	0.273	S	S	.	.	I	π-helix	trans	-74.4	-51	-177	-173.3	-103.4	0	0	0	112.5	Y136 I138 K144 L145 P148	Y136-F140 HydrophobicContact CE1-CB 4.33Å; Y136-F140 VanDerWaalsContact O-CB 3.32Å; Y136-F140 WeakPolarHBondContact O-CB 3.48Å; Y136-F140 PolarHBondContact O-N 3.4Å; I138-F140 VanDerWaalsContact C-N 3.33Å; I138-F140 PolarHBondContact O-N 2.93Å; F140-K144 WeakPolarHBondContact O-CA 3.44Å; F140-L145 WeakPolarHBondContact CA-O 3.36Å; F140-L145 WeakPolarHBondContact CD2-O 3.46Å; F140-P148 HydrophobicContact CB-CG 4.25Å
141	R	85.5	Confident	87.4	Confident	157 Å²	157	57.6 Å²	57.6	59%	0.592	30%	0.295	S	S	*	.	I	π-helix	trans	-86.1	-42.1	-172.2	-60.2	-179.9	177.7	-178.7	-0.5	113	D137 K144	D137-R141 WeakPolarHBondContact O-CB 3.41Å; D137-R141 WeakPolarHBondContact O-CG 3.33Å; D137-R141 PolarHBondContact O-N 3.43Å; D137-R141 IonicContact OD1-NE 3.42Å; R141-K144 WeakPolarHBondContact O-CD 3.35Å; R141-K144 WeakPolarHBondContact O-CE 3.35Å; R141-K144 PolarHBondContact O-NZ 2.97Å
142	T	84.6	Confident	87.2	Confident	42 Å²	42	59.5 Å²	59.5	26%	0.258	31%	0.306	S	S	.	.	I	π-helix	trans	-90.6	-49.6	-173.4	-55.7	0	0	0	0	111.2	I138 K144 L201	I138-T142 WeakPolarHBondContact O-CA 3.37Å; I138-T142 VanDerWaalsContact O-CB 3.23Å; I138-T142 WeakPolarHBondContact O-CB 3.36Å; I138-T142 PolarHBondContact O-N 3.15Å; T142-K144 VanDerWaalsContact C-N 3.31Å; T142-K144 PolarHBondContact O-N 2.93Å; T142-L201 HydrophobicContact CG2-CB 4.02Å
143	L	84.9	Confident	87.3	Confident	28 Å²	28	58.5 Å²	58.5	15%	0.147	30%	0.3	C	S	.	.	S	Bend	trans	-81.9	-9.7	180	-58	179.7	0	0	0	113.7	I138 C139 L145 L156 T202 S203	I138-L143 PolarHBondContact O-N 2.94Å; C139-L143 CarbonylContact O-C 3.58Å; C139-L143 WeakPolarHBondContact O-CB 3.39Å; L143-L145 VanDerWaalsContact C-N 3.27Å; L143-L145 HydrophobicContact CB-CD1 4.33Å; L143-L145 HydrophobicContact CB-CG 4.11Å; L143-L145 PolarHBondContact O-N 2.81Å; L143-L156 HydrophobicContact CD1-CD2 4.36Å; L143-T202 WeakPolarHBondContact CD2-O 3.29Å; L143-S203 WeakPolarHBondContact O-CB 3.5Å
144	K	86.7	Confident	87.6	Confident	154 Å²	154	61.7 Å²	61.7	67%	0.67	32%	0.318	S	S	*	.			trans	59.9	34	179.9	-54.6	-59.8	-175	-165.2	0	113.2	C139 F140 R141 T142	C139-K144 PolarHBondContact O-N 3.17Å; F140-K144 WeakPolarHBondContact O-CA 3.44Å; R141-K144 WeakPolarHBondContact O-CD 3.35Å; R141-K144 WeakPolarHBondContact O-CE 3.35Å; R141-K144 PolarHBondContact O-NZ 2.97Å; T142-K144 VanDerWaalsContact C-N 3.31Å; T142-K144 PolarHBondContact O-N 2.93Å
145	L	85.2	Confident	87.6	Confident	59 Å²	59	67.2 Å²	67.2	31%	0.309	34%	0.342	S	S	.	.			trans	-84.2	116.5	172.7	-59.8	177.6	0	0	0	108.9	C139 F140 L143 T147 P148 D152	C139-L145 HydrophobicContact CB-CD1 4.33Å; C139-L145 WeakPolarHBondContact O-CB 3.11Å; C139-L145 PolarHBondContact O-N 2.8Å; F140-L145 WeakPolarHBondContact CA-O 3.36Å; F140-L145 WeakPolarHBondContact CD2-O 3.46Å; L143-L145 VanDerWaalsContact C-N 3.27Å; L143-L145 HydrophobicContact CB-CD1 4.33Å; L143-L145 HydrophobicContact CB-CG 4.11Å; L143-L145 PolarHBondContact O-N 2.81Å; L145-T147 VanDerWaalsContact C-N 3.3Å; L145-T147 PolarHBondContact O-N 2.79Å; L145-P148 HydrophobicContact CB-CG 4.5Å; L145-D152 HydrophobicContact CD1-CB 4.03Å
146	T	83.7	Confident	87.6	Confident	113 Å²	113	67.5 Å²	67.5	69%	0.693	34%	0.344	S	S	*	.	S	Bend	trans	-68	-30.1	-178.1	48.3	0	0	0	0	113
147	T	84.7	Confident	87.8	Confident	109 Å²	109	65.1 Å²	65.1	67%	0.669	34%	0.336	S	S	*	.	S	Bend	trans	-135.1	83	179.2	43.3	0	0	0	0	109.6	L145 T149	L145-T147 VanDerWaalsContact C-N 3.3Å; L145-T147 PolarHBondContact O-N 2.79Å; T147-T149 PolarHBondContact O-N 2.98Å
148	P	86.4	Confident	87.9	Confident	19 Å²	19	66.3 Å²	66.3	12%	0.123	35%	0.348	C	S	.	.			trans	-60.2	129.3	176.8	-22.6	34.2	0	0	0	111.4	Y136 C139 F140 L145 L153	Y136-P148 HydrophobicContact CD2-CB 4.02Å; Y136-P148 HydrophobicContact CD2-CG 4.05Å; Y136-P148 HydrophobicContact CE2-CB 3.96Å; Y136-P148 HydrophobicContact CE2-CG 3.75Å; C139-P148 HydrophobicContact CB-CB 3.72Å; C139-P148 HydrophobicContact CB-CG 3.77Å; F140-P148 HydrophobicContact CB-CG 4.25Å; L145-P148 HydrophobicContact CB-CG 4.5Å; P148-L153 HydrophobicContact CB-CD1 4.44Å
149	T	88.8	Confident	88	Confident	77 Å²	77	67.3 Å²	67.3	47%	0.472	36%	0.356	S	S	.	.			trans	-101.5	160.8	174.2	69.3	0	0	0	0	110.8	T147 G151 D152 L153	T147-T149 PolarHBondContact O-N 2.98Å; T149-G151 PolarHBondContact O-N 3.29Å; T149-G151 PolarHBondContact OG1-N 2.81Å; T149-D152 PolarHBondContact N-OD2 3.47Å; T149-D152 WeakPolarHBondContact O-CA 3.46Å; T149-D152 WeakPolarHBondContact O-CB 3.42Å; T149-D152 PolarHBondContact O-N 3Å; T149-D152 PolarHBondContact OG1-OD2 3.33Å; T149-L153 WeakPolarHBondContact O-CD1 3.46Å; T149-L153 PolarHBondContact O-N 3.45Å
150	Y	86.7	Confident	88.1	Confident	131 Å²	131	67.4 Å²	67.4	51%	0.514	36%	0.357	S	S	.	.	H	α-helix	trans	-54.7	-28.1	172.6	-78.1	-66.9	0	0	0	113.3	V103 D152 L153 N154	V103-Y150 HydrophobicContact CG1-CE1 3.9Å; V103-Y150 PolarHBondContact O-OH 2.81Å; Y150-D152 VanDerWaalsContact C-N 3.3Å; Y150-D152 PolarHBondContact O-N 3.14Å; Y150-L153 PolarHBondContact O-N 3.33Å; Y150-N154 VanDerWaalsContact O-CB 3.23Å; Y150-N154 WeakPolarHBondContact O-CB 3.5Å; Y150-N154 PolarHBondContact O-N 2.75Å; Y150-N154 PolarHBondContact O-ND2 2.79Å
151	G	88.4	Confident	88.4	Confident	47 Å²	47	64.8 Å²	64.8	49%	0.485	35%	0.347	S	S	.	.	H	α-helix	trans	-62.6	-36.6	172.9	0	0	0	0	0	113.1	T149 H155	T149-G151 PolarHBondContact O-N 3.29Å; T149-G151 PolarHBondContact OG1-N 2.81Å; G151-H155 PolarHBondContact O-N 3.45Å
152	D	88.5	Confident	88.7	Confident	41 Å²	41	59.3 Å²	59.3	22%	0.219	33%	0.332	C	S	.	.	H	α-helix	trans	-73.9	-42.4	178	-55.8	-59.5	0	0	0	111.4	L145 T149 Y150 H155 L156	L145-D152 HydrophobicContact CD1-CB 4.03Å; T149-D152 PolarHBondContact N-OD2 3.47Å; T149-D152 WeakPolarHBondContact O-CA 3.46Å; T149-D152 WeakPolarHBondContact O-CB 3.42Å; T149-D152 PolarHBondContact O-N 3Å; T149-D152 PolarHBondContact OG1-OD2 3.33Å; Y150-D152 VanDerWaalsContact C-N 3.3Å; Y150-D152 PolarHBondContact O-N 3.14Å; D152-H155 WeakPolarHBondContact O-CB 3.06Å; D152-H155 PolarHBondContact O-N 3.07Å; D152-L156 PolarHBondContact O-N 3.09Å
153	L	89.6	Confident	88.9	Confident	5 Å²	5	57.3 Å²	57.3	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-59.5	-47.7	172.6	-75.7	97.7	0	0	0	110.9	L135 P148 T149 Y150 H155 L156 V157	L135-L153 HydrophobicContact CB-CB 4.45Å; L135-L153 HydrophobicContact CB-CD2 3.49Å; L135-L153 VanDerWaalsContact CB-CD2 3.49Å; L135-L153 HydrophobicContact CB-CG 3.93Å; L135-L153 HydrophobicContact CD1-CB 4.27Å; L135-L153 HydrophobicContact CD1-CD2 3.98Å; L135-L153 HydrophobicContact CG-CD2 4.41Å; P148-L153 HydrophobicContact CB-CD1 4.44Å; T149-L153 WeakPolarHBondContact O-CD1 3.46Å; T149-L153 PolarHBondContact O-N 3.45Å; Y150-L153 PolarHBondContact O-N 3.33Å; L153-H155 PolarHBondContact O-N 3.18Å; L153-L156 WeakPolarHBondContact O-CB 3.45Å; L153-L156 PolarHBondContact O-N 2.87Å; L153-L156 VanDerWaalsContact O-N 3.09Å; L153-V157 WeakPolarHBondContact O-CG2 3.41Å; L153-V157 PolarHBondContact O-N 3.41Å
154	N	91.8	Very high	89	Confident	98 Å²	98	56.5 Å²	56.5	52%	0.524	32%	0.316	S	S	.	.	H	α-helix	trans	-63.9	-28.5	179.3	-70.7	-16.8	0	0	0	112.5	Y150 V157 S158	Y150-N154 VanDerWaalsContact O-CB 3.23Å; Y150-N154 WeakPolarHBondContact O-CB 3.5Å; Y150-N154 PolarHBondContact O-N 2.75Å; Y150-N154 PolarHBondContact O-ND2 2.79Å; N154-V157 PolarHBondContact O-N 3.27Å; N154-S158 VanDerWaalsContact O-CB 3.28Å; N154-S158 WeakPolarHBondContact O-CB 3.49Å; N154-S158 PolarHBondContact O-N 3.08Å; N154-S158 PolarHBondContact O-OG 3.42Å
155	H	90	Very high	89.2	Confident	125 Å²	125	50 Å²	50	58%	0.579	29%	0.289	S	S	*	.	H	α-helix	trans	-62.3	-46	173.2	-176.1	58.3	0	0	0	111.4	G151 D152 L153 S158 A159	G151-H155 PolarHBondContact O-N 3.45Å; D152-H155 WeakPolarHBondContact O-CB 3.06Å; D152-H155 PolarHBondContact O-N 3.07Å; L153-H155 PolarHBondContact O-N 3.18Å; H155-S158 PolarHBondContact O-N 3.45Å; H155-S158 PolarHBondContact O-OG 2.9Å; H155-A159 PolarHBondContact O-N 3.45Å; H155-A159 VanDerWaalsContact O-N 3.08Å
156	L	90.1	Very high	89.3	Confident	6 Å²	6	47.2 Å²	47.2	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-47	176.2	-65	179	0	0	0	111.7	L135 I138 L143 D152 L153 S158 A159 T160 L201 M228	L135-L156 HydrophobicContact CD2-CB 3.77Å; L135-L156 HydrophobicContact CD2-CD1 3.87Å; L135-L156 HydrophobicContact CD2-CG 4.49Å; I138-L156 HydrophobicContact CB-CD1 4.21Å; I138-L156 HydrophobicContact CG2-CD1 3.68Å; L143-L156 HydrophobicContact CD1-CD2 4.36Å; D152-L156 PolarHBondContact O-N 3.09Å; L153-L156 WeakPolarHBondContact O-CB 3.45Å; L153-L156 PolarHBondContact O-N 2.87Å; L153-L156 VanDerWaalsContact O-N 3.09Å; L156-S158 VanDerWaalsContact C-N 3.33Å; L156-S158 PolarHBondContact O-N 2.76Å; L156-A159 WeakPolarHBondContact O-CB 3.44Å; L156-A159 PolarHBondContact O-N 3.11Å; L156-A159 VanDerWaalsContact O-N 3.15Å; L156-T160 PolarHBondContact O-N 2.98Å; L156-T160 PolarHBondContact O-OG1 3.1Å; L156-L201 HydrophobicContact CD2-CD2 3.52Å; L156-M228 HydrophobicContact CB-CE 4.08Å; L156-M228 HydrophobicContact CB-SD 4.33Å; L156-M228 HydrophobicContact CD2-CE 4.32Å
157	V	92.7	Very high	89.1	Confident	20 Å²	20	43.3 Å²	43.3	12%	0.121	25%	0.252	C	S	.	.	H	α-helix	trans	-57.7	-46.3	177.2	173.3	0	0	0	0	111.1	I130 L135 L153 N154 A159 T160 M161	I130-V157 HydrophobicContact CD1-CG1 3.77Å; I130-V157 HydrophobicContact CD1-CG2 4.28Å; I130-V157 HydrophobicContact CG2-CG2 3.73Å; L135-V157 HydrophobicContact CD1-CG2 3.63Å; L135-V157 HydrophobicContact CD2-CG2 4.33Å; L153-V157 WeakPolarHBondContact O-CG2 3.41Å; L153-V157 PolarHBondContact O-N 3.41Å; N154-V157 PolarHBondContact O-N 3.27Å; V157-A159 VanDerWaalsContact C-N 3.29Å; V157-A159 PolarHBondContact O-N 3.38Å; V157-T160 PolarHBondContact O-N 3.29Å; V157-M161 HydrophobicContact CG1-CG 4.22Å; V157-M161 HydrophobicContact CG1-SD 3.82Å; V157-M161 WeakPolarHBondContact O-CB 3.11Å; V157-M161 VanDerWaalsContact O-CG 3.31Å; V157-M161 WeakPolarHBondContact O-CG 3.29Å; V157-M161 PolarHBondContact O-N 3.07Å
158	S	92.8	Very high	89.1	Confident	61 Å²	61	41.2 Å²	41.2	43%	0.427	24%	0.236	S	C	.	.	H	α-helix	trans	-63	-35	178.9	75.1	0	0	0	0	113	N154 H155 L156 S162	N154-S158 VanDerWaalsContact O-CB 3.28Å; N154-S158 WeakPolarHBondContact O-CB 3.49Å; N154-S158 PolarHBondContact O-N 3.08Å; N154-S158 PolarHBondContact O-OG 3.42Å; H155-S158 PolarHBondContact O-N 3.45Å; H155-S158 PolarHBondContact O-OG 2.9Å; L156-S158 VanDerWaalsContact C-N 3.33Å; L156-S158 PolarHBondContact O-N 2.76Å; S158-S162 VanDerWaalsContact O-CB 3.24Å; S158-S162 WeakPolarHBondContact O-CB 3.4Å; S158-S162 PolarHBondContact O-N 3.05Å
159	A	91	Very high	89.1	Confident	23 Å²	23	45.8 Å²	45.8	19%	0.19	25%	0.251	C	S	.	.	H	α-helix	trans	-67.7	-45.2	176.8	0	0	0	0	0	111	H155 L156 V157 S162 G163 F198	H155-A159 PolarHBondContact O-N 3.45Å; H155-A159 VanDerWaalsContact O-N 3.08Å; L156-A159 WeakPolarHBondContact O-CB 3.44Å; L156-A159 PolarHBondContact O-N 3.11Å; L156-A159 VanDerWaalsContact O-N 3.15Å; V157-A159 VanDerWaalsContact C-N 3.29Å; V157-A159 PolarHBondContact O-N 3.38Å; A159-S162 PolarHBondContact O-N 3.26Å; A159-G163 PolarHBondContact O-N 3.11Å; A159-F198 HydrophobicContact CB-CD1 4.46Å; A159-F198 HydrophobicContact CB-CD2 4.24Å; A159-F198 HydrophobicContact CB-CE1 4.33Å; A159-F198 HydrophobicContact CB-CE2 4.1Å; A159-F198 HydrophobicContact CB-CG 4.42Å; A159-F198 HydrophobicContact CB-CZ 4.14Å
160	T	91.2	Very high	89	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.012	24%	0.24	C	C	.	.	H	α-helix	trans	-60.4	-51.4	174.5	-60.8	0	0	0	0	111.5	L156 V157 S162 G163 V164 P196	L156-T160 PolarHBondContact O-N 2.98Å; L156-T160 PolarHBondContact O-OG1 3.1Å; V157-T160 PolarHBondContact O-N 3.29Å; T160-S162 VanDerWaalsContact C-N 3.31Å; T160-S162 PolarHBondContact O-N 3.24Å; T160-G163 CarbonylContact O-C 3.59Å; T160-G163 WeakPolarHBondContact O-CA 3.46Å; T160-G163 PolarHBondContact O-N 3.28Å; T160-V164 HydrophobicContact CG2-CG2 4.33Å; T160-V164 WeakPolarHBondContact O-CG2 3.38Å; T160-V164 PolarHBondContact O-N 3.04Å; T160-P196 HydrophobicContact CG2-CB 3.47Å; T160-P196 VanDerWaalsContact CG2-CB 3.47Å; T160-P196 HydrophobicContact CG2-CG 4.26Å
161	M	92.6	Very high	88.3	Confident	44 Å²	44	43.8 Å²	43.8	22%	0.217	25%	0.25	C	C	.	.	H	α-helix	trans	-59.5	-41.4	178.7	-71.2	178.4	74	0	0	112.2	T64 F95 V157 G163 T165	T64-M161 HydrophobicContact CG2-CE 3.35Å; T64-M161 HydrophobicContact CG2-SD 4.33Å; F95-M161 HydrophobicContact CD1-CG 3.62Å; F95-M161 HydrophobicContact CD1-SD 4.48Å; F95-M161 HydrophobicContact CD2-CE 4.22Å; F95-M161 HydrophobicContact CE1-CB 4.39Å; F95-M161 HydrophobicContact CE1-CG 3.7Å; F95-M161 HydrophobicContact CG-CE 4.21Å; F95-M161 HydrophobicContact CG-CG 4.15Å; F95-M161 HydrophobicContact CG-SD 4.5Å; F95-M161 HydrophobicContact CZ-CG 4.33Å; V157-M161 HydrophobicContact CG1-CG 4.22Å; V157-M161 HydrophobicContact CG1-SD 3.82Å; V157-M161 WeakPolarHBondContact O-CB 3.11Å; V157-M161 VanDerWaalsContact O-CG 3.31Å; V157-M161 WeakPolarHBondContact O-CG 3.29Å; V157-M161 PolarHBondContact O-N 3.07Å; M161-G163 VanDerWaalsContact C-N 3.29Å; M161-G163 PolarHBondContact O-N 3.08Å; M161-T165 WeakPolarHBondContact O-CB 3.39Å; M161-T165 WeakPolarHBondContact O-CG2 3.41Å; M161-T165 PolarHBondContact O-N 3.2Å; M161-T165 VanDerWaalsContact O-N 3.12Å; M161-T165 PolarHBondContact O-OG1 3.31Å
162	S	92.1	Very high	87.3	Confident	41 Å²	41	42.5 Å²	42.5	29%	0.287	24%	0.237	S	C	.	.	H	α-helix	trans	-62	-40.4	173.5	-177.6	0	0	0	0	111.1	S158 A159 T160 T165 T166 R169 R246	S158-S162 VanDerWaalsContact O-CB 3.24Å; S158-S162 WeakPolarHBondContact O-CB 3.4Å; S158-S162 PolarHBondContact O-N 3.05Å; A159-S162 PolarHBondContact O-N 3.26Å; T160-S162 VanDerWaalsContact C-N 3.31Å; T160-S162 PolarHBondContact O-N 3.24Å; S162-T165 PolarHBondContact O-OG1 3.5Å; S162-T166 PolarHBondContact O-N 3.37Å; S162-T166 PolarHBondContact O-OG1 3.11Å; S162-R169 PolarHBondContact O-NH2 3.32Å; S162-R169 PolarHBondContact OG-NH2 2.99Å; S162-R169 VanDerWaalsContact OG-NH2 3.13Å; S162-R246 PolarHBondContact O-NH1 3.24Å; S162-R246 PolarHBondContact OG-NH1 3.2Å
163	G	88.8	Confident	85.9	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-59	-59	175.3	0	0	0	0	0	113.3	A159 T160 M161 T165 T166 T294	A159-G163 PolarHBondContact O-N 3.11Å; T160-G163 CarbonylContact O-C 3.59Å; T160-G163 WeakPolarHBondContact O-CA 3.46Å; T160-G163 PolarHBondContact O-N 3.28Å; M161-G163 VanDerWaalsContact C-N 3.29Å; M161-G163 PolarHBondContact O-N 3.08Å; G163-T165 VanDerWaalsContact C-N 3.32Å; G163-T165 PolarHBondContact O-N 3.28Å; G163-T166 WeakPolarHBondContact CA-OG1 3.48Å; G163-T166 WeakPolarHBondContact O-CB 3.39Å; G163-T166 PolarHBondContact O-N 3.06Å; G163-T166 PolarHBondContact O-OG1 3.09Å; G163-T294 WeakPolarHBondContact CA-OG1 3.41Å
164	V	87.8	Confident	84.5	Confident	10 Å²	10	52 Å²	52	6%	0.061	28%	0.282	C	S	.	.	H	α-helix	trans	-55.7	-45.6	-179.4	174.7	0	0	0	0	111.3	F95 Y128 T160 T166 T294 I296	F95-V164 HydrophobicContact CE1-CG2 4.48Å; F95-V164 HydrophobicContact CZ-CB 4.35Å; F95-V164 HydrophobicContact CZ-CG1 4.1Å; Y128-V164 HydrophobicContact CD1-CG1 4.43Å; Y128-V164 HydrophobicContact CD1-CG2 4.2Å; Y128-V164 HydrophobicContact CE1-CB 4.41Å; Y128-V164 HydrophobicContact CE1-CG1 3.58Å; Y128-V164 HydrophobicContact CE1-CG2 3.89Å; Y128-V164 HydrophobicContact CE2-CG1 4.14Å; Y128-V164 VanDerWaalsContact CZ-CG1 3.44Å; Y128-V164 WeakPolarHBondContact OH-CG1 3.23Å; T160-V164 HydrophobicContact CG2-CG2 4.33Å; T160-V164 WeakPolarHBondContact O-CG2 3.38Å; T160-V164 PolarHBondContact O-N 3.04Å; V164-T166 PolarHBondContact O-N 3.36Å; V164-T294 HydrophobicContact CG2-CG2 4.11Å; V164-I296 HydrophobicContact CB-CD1 4.32Å; V164-I296 HydrophobicContact CG1-CD1 4.03Å; V164-I296 HydrophobicContact CG2-CD1 3.89Å; V164-I296 HydrophobicContact CG2-CG1 4.01Å
165	T	89.8	Confident	82.8	Confident	18 Å²	18	52 Å²	52	11%	0.11	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	4.1	-179	61.2	0	0	0	0	114	M161 S162 G163 C167 L168 R169	M161-T165 WeakPolarHBondContact O-CB 3.39Å; M161-T165 WeakPolarHBondContact O-CG2 3.41Å; M161-T165 PolarHBondContact O-N 3.2Å; M161-T165 VanDerWaalsContact O-N 3.12Å; M161-T165 PolarHBondContact O-OG1 3.31Å; S162-T165 PolarHBondContact O-OG1 3.5Å; G163-T165 VanDerWaalsContact C-N 3.32Å; G163-T165 PolarHBondContact O-N 3.28Å; T165-C167 VanDerWaalsContact C-N 3.33Å; T165-C167 PolarHBondContact O-N 3.04Å; T165-L168 HydrophobicContact CG2-CD1 4.47Å; T165-L168 PolarHBondContact O-N 2.93Å; T165-R169 WeakPolarHBondContact O-CG 3.43Å; T165-R169 PolarHBondContact O-N 3.45Å; T165-R169 PolarHBondContact O-NE 3.32Å; T165-R169 PolarHBondContact OG1-NE 3.5Å; T165-R169 VanDerWaalsContact OG1-NE 3.08Å
166	T	88.3	Confident	81.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-43.2	-177.8	-59.1	0	0	0	0	111.3	S162 G163 V164 L168 R169 F170 V244 R246 C282	S162-T166 PolarHBondContact O-N 3.37Å; S162-T166 PolarHBondContact O-OG1 3.11Å; G163-T166 WeakPolarHBondContact CA-OG1 3.48Å; G163-T166 WeakPolarHBondContact O-CB 3.39Å; G163-T166 PolarHBondContact O-N 3.06Å; G163-T166 PolarHBondContact O-OG1 3.09Å; V164-T166 PolarHBondContact O-N 3.36Å; T166-L168 PolarHBondContact O-N 2.94Å; T166-L168 VanDerWaalsContact O-N 3.17Å; T166-R169 PolarHBondContact O-N 3.08Å; T166-F170 HydrophobicContact CG2-CD2 3.95Å; T166-F170 PolarHBondContact O-N 3.48Å; T166-V244 HydrophobicContact CG2-CG1 4.45Å; T166-R246 HydrophobicContact CG2-CG 4.02Å; T166-R246 VanDerWaalsContact OG1-CD 3.3Å; T166-R246 WeakPolarHBondContact OG1-CD 3.2Å; T166-R246 PolarHBondContact OG1-NE 2.93Å; T166-R246 PolarHBondContact OG1-NH1 3.03Å; T166-C282 HydrophobicContact CG2-CB 3.7Å
167	C	79.3	Confident	80.6	Confident	31 Å²	31	50 Å²	50	21%	0.209	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-21.1	-179.1	-58.5	0	0	0	0	113.1	T165	T165-C167 VanDerWaalsContact C-N 3.33Å; T165-C167 PolarHBondContact O-N 3.04Å
168	L	83.8	Confident	79.8	Confident	66 Å²	66	50.1 Å²	50.1	35%	0.346	28%	0.278	S	S	.	.	H	α-helix	trans	-89.6	-34.4	178.2	-52.5	173.1	0	0	0	112.2	T165 T166 L178	T165-L168 HydrophobicContact CG2-CD1 4.47Å; T165-L168 PolarHBondContact O-N 2.93Å; T166-L168 PolarHBondContact O-N 2.94Å; T166-L168 VanDerWaalsContact O-N 3.17Å; L168-L178 HydrophobicContact CD1-CD1 4.34Å; L168-L178 HydrophobicContact CD1-CD2 3.47Å; L168-L178 VanDerWaalsContact CD1-CD2 3.47Å; L168-L178 HydrophobicContact CD1-CG 3.76Å; L168-L178 HydrophobicContact CD2-CD2 4.07Å; L168-L178 HydrophobicContact CD2-CG 3.85Å; L168-L178 HydrophobicContact CG-CD2 4.32Å; L168-L178 HydrophobicContact CG-CG 4.46Å
169	R	87.7	Confident	79.3	Confident	114 Å²	114	53.1 Å²	53.1	43%	0.43	28%	0.28	S	S	.	.	H	α-helix	trans	-91.6	-25.4	-170.6	-66.6	-177.5	-60.9	105.6	-2.7	113.7	S162 T165 T166	S162-R169 PolarHBondContact O-NH2 3.32Å; S162-R169 PolarHBondContact OG-NH2 2.99Å; S162-R169 VanDerWaalsContact OG-NH2 3.13Å; T165-R169 WeakPolarHBondContact O-CG 3.43Å; T165-R169 PolarHBondContact O-N 3.45Å; T165-R169 PolarHBondContact O-NE 3.32Å; T165-R169 PolarHBondContact OG1-NE 3.5Å; T165-R169 VanDerWaalsContact OG1-NE 3.08Å; T166-R169 PolarHBondContact O-N 3.08Å
170	F	85.4	Confident	78.9	Confident	55 Å²	55	57.1 Å²	57.1	24%	0.241	29%	0.293	C	S	.	.	S	Bend	trans	-125.3	139.6	-178	-62.1	-69.2	0	0	0	110.5	T166 G172 I284	T166-F170 HydrophobicContact CG2-CD2 3.95Å; T166-F170 PolarHBondContact O-N 3.48Å; F170-G172 PolarHBondContact O-N 3.27Å; F170-I284 HydrophobicContact CB-CD1 4.35Å; F170-I284 HydrophobicContact CD1-CD1 3.3Å; F170-I284 HydrophobicContact CD1-CG1 4.46Å; F170-I284 HydrophobicContact CE1-CD1 3.67Å; F170-I284 HydrophobicContact CE1-CG2 4.15Å; F170-I284 HydrophobicContact CE2-CG2 4.43Å; F170-I284 HydrophobicContact CG-CD1 3.93Å; F170-I284 HydrophobicContact CZ-CG2 4.06Å
171	P	72.4	Confident	78.5	Confident	111 Å²	111	58.5 Å²	58.5	72%	0.721	30%	0.3	S	S	*	.			trans	-63.4	122.3	170.9	27.7	-32.7	0	0	0	108.7
172	G	67.2	Low	78.2	Confident	20 Å²	20	56.9 Å²	56.9	21%	0.206	29%	0.294	C	S	.	.			trans	-115.6	165	172.7	0	0	0	0	0	110.5	F170 L174 N175	F170-G172 PolarHBondContact O-N 3.27Å; G172-L174 PolarHBondContact O-N 3.07Å; G172-N175 PolarHBondContact N-OD1 2.82Å; G172-N175 VanDerWaalsContact O-CG 3.25Å; G172-N175 PolarHBondContact O-ND2 3.03Å; G172-N175 PolarHBondContact O-OD1 3.38Å
173	Q	59	Low	77.9	Confident	154 Å²	154	60.1 Å²	60.1	72%	0.72	31%	0.312	S	S	*	.	S	Bend	trans	-67.8	-25	173.3	-64.7	-167.6	4.3	0	0	111.7	M251	Q173-M251 HydrophobicContact CB-CE 4.01Å; Q173-M251 HydrophobicContact CG-CE 3.76Å; Q173-M251 PolarHBondContact OE1-SD 2.95Å
174	L	61.4	Low	77.9	Confident	91 Å²	91	63 Å²	63	48%	0.476	33%	0.327	S	S	.	.	S	Bend	trans	-110	77.8	171.3	-151.1	105	0	0	0	109.5	G172 A176 A280	G172-L174 PolarHBondContact O-N 3.07Å; L174-A176 PolarHBondContact O-N 2.98Å; L174-A176 VanDerWaalsContact O-N 3.17Å; L174-A280 HydrophobicContact CD2-CB 4.4Å
175	N	55.5	Low	77.9	Confident	99 Å²	99	62.5 Å²	62.5	53%	0.529	32%	0.324	S	S	.	.			trans	-69.9	109.8	174	-68.6	-37.8	0	0	0	109	G172	G172-N175 PolarHBondContact N-OD1 2.82Å; G172-N175 VanDerWaalsContact O-CG 3.25Å; G172-N175 PolarHBondContact O-ND2 3.03Å; G172-N175 PolarHBondContact O-OD1 3.38Å
176	A	63.3	Low	78	Confident	17 Å²	17	63 Å²	63	14%	0.14	33%	0.327	C	S	.	.			trans	-112.3	117.8	169.8	0	0	0	0	0	108	L174 K180	L174-A176 PolarHBondContact O-N 2.98Å; L174-A176 VanDerWaalsContact O-N 3.17Å; A176-K180 HydrophobicContact CB-CB 4.42Å; A176-K180 HydrophobicContact CB-CD 4.31Å; A176-K180 HydrophobicContact CB-CG 4.48Å
177	D	70.7	Confident	77.9	Confident	73 Å²	73	65.3 Å²	65.3	39%	0.39	34%	0.342	S	S	.	.			trans	-67	167	163.3	58.3	-6.4	0	0	0	109.8	R179 K180 L181	D177-R179 PolarHBondContact O-N 2.88Å; D177-K180 PolarHBondContact O-N 3.36Å; D177-K180 WeakPolarHBondContact OD1-CA 3.49Å; D177-K180 WeakPolarHBondContact OD1-CB 3.45Å; D177-K180 PolarHBondContact OD1-N 3.39Å; D177-L181 PolarHBondContact O-N 2.92Å
178	L	75.6	Confident	78.5	Confident	22 Å²	22	66.6 Å²	66.6	12%	0.115	34%	0.344	C	S	.	.	H	α-helix	trans	-54.6	-40.1	177.2	-77.3	178.1	0	0	0	111.9	Q59 I91 N93 L168 L181 A182	Q59-L178 HydrophobicContact CB-CD1 4.27Å; I91-L178 HydrophobicContact CB-CB 4.36Å; I91-L178 HydrophobicContact CG1-CB 4.48Å; I91-L178 HydrophobicContact CG2-CB 4.13Å; N93-L178 WeakPolarHBondContact ND2-CD2 3.42Å; L168-L178 HydrophobicContact CD1-CD1 4.34Å; L168-L178 HydrophobicContact CD1-CD2 3.47Å; L168-L178 VanDerWaalsContact CD1-CD2 3.47Å; L168-L178 HydrophobicContact CD1-CG 3.76Å; L168-L178 HydrophobicContact CD2-CD2 4.07Å; L168-L178 HydrophobicContact CD2-CG 3.85Å; L168-L178 HydrophobicContact CG-CD2 4.32Å; L168-L178 HydrophobicContact CG-CG 4.46Å; L178-L181 PolarHBondContact O-N 3.42Å; L178-A182 PolarHBondContact O-N 2.97Å
179	R	82.3	Confident	78.7	Confident	124 Å²	124	68.7 Å²	68.7	47%	0.468	36%	0.362	S	S	.	.	H	α-helix	trans	-64.7	-42.9	179.7	-175.8	171.9	-68.9	-77.4	0.3	112.4	D89 I91 D177 L181 A182 V183	D89-R179 PolarHBondContact O-NH2 3.02Å; I91-R179 HydrophobicContact CD1-CB 4.44Å; I91-R179 HydrophobicContact CG1-CB 4.21Å; D177-R179 PolarHBondContact O-N 2.88Å; R179-L181 VanDerWaalsContact C-N 3.33Å; R179-A182 PolarHBondContact O-N 3.43Å; R179-V183 HydrophobicContact CG-CG2 4.47Å; R179-V183 WeakPolarHBondContact O-CB 3.43Å; R179-V183 VanDerWaalsContact O-CG2 3.23Å; R179-V183 WeakPolarHBondContact O-CG2 3.36Å; R179-V183 PolarHBondContact O-N 2.82Å
180	K	83.8	Confident	78.8	Confident	107 Å²	107	66.8 Å²	66.8	47%	0.465	35%	0.354	S	S	.	.	H	α-helix	trans	-70.4	-31.1	176.9	-171.8	177.8	-168.9	178.4	0	111.8	A176 D177 N184	A176-K180 HydrophobicContact CB-CB 4.42Å; A176-K180 HydrophobicContact CB-CD 4.31Å; A176-K180 HydrophobicContact CB-CG 4.48Å; D177-K180 PolarHBondContact O-N 3.36Å; D177-K180 WeakPolarHBondContact OD1-CA 3.49Å; D177-K180 WeakPolarHBondContact OD1-CB 3.45Å; D177-K180 PolarHBondContact OD1-N 3.39Å; K180-N184 WeakPolarHBondContact O-CB 3.37Å; K180-N184 PolarHBondContact O-N 3.29Å; K180-N184 VanDerWaalsContact O-N 3.17Å; K180-N184 PolarHBondContact O-ND2 2.99Å
181	L	82.1	Confident	79.2	Confident	30 Å²	30	64.1 Å²	64.1	16%	0.157	34%	0.343	C	S	.	.	H	α-helix	trans	-62.2	-51.2	170.3	-174	65.5	0	0	0	110.1	Y128 D177 L178 R179 V183 N184 M185 A242	Y128-L181 WeakPolarHBondContact OH-CD2 3.29Å; D177-L181 PolarHBondContact O-N 2.92Å; L178-L181 PolarHBondContact O-N 3.42Å; R179-L181 VanDerWaalsContact C-N 3.33Å; L181-V183 PolarHBondContact O-N 3.07Å; L181-N184 PolarHBondContact O-N 3.43Å; L181-N184 VanDerWaalsContact O-N 3.12Å; L181-M185 HydrophobicContact CD1-CG 3.82Å; L181-M185 HydrophobicContact CG-CG 4.21Å; L181-M185 WeakPolarHBondContact O-CB 3.34Å; L181-M185 VanDerWaalsContact O-CG 3.29Å; L181-M185 WeakPolarHBondContact O-CG 3.44Å; L181-M185 PolarHBondContact O-N 3.32Å; L181-A242 HydrophobicContact CD1-CB 4.22Å
182	A	85.3	Confident	80.2	Confident	11 Å²	11	58.9 Å²	58.9	9%	0.091	31%	0.309	C	S	.	.	H	α-helix	trans	-56.4	-49.8	179.3	0	0	0	0	0	111.8	I91 E126 L178 R179 N184 M185 V186	I91-A182 HydrophobicContact CD1-CB 4.33Å; E126-A182 HydrophobicContact CG-CB 4.15Å; E126-A182 WeakPolarHBondContact OE1-CA 3.36Å; E126-A182 VanDerWaalsContact OE1-CB 3.31Å; E126-A182 WeakPolarHBondContact OE1-CB 3.49Å; E126-A182 PolarHBondContact OE1-N 2.92Å; L178-A182 PolarHBondContact O-N 2.97Å; R179-A182 PolarHBondContact O-N 3.43Å; A182-N184 VanDerWaalsContact C-N 3.27Å; A182-N184 PolarHBondContact O-N 3.5Å; A182-M185 PolarHBondContact O-N 3.22Å; A182-M185 VanDerWaalsContact O-N 3.11Å; A182-V186 WeakPolarHBondContact O-CB 3.29Å; A182-V186 PolarHBondContact O-N 3.16Å
183	V	87.1	Confident	81.6	Confident	109 Å²	109	58 Å²	58	66%	0.661	30%	0.299	S	S	*	.	H	α-helix	trans	-61.2	-33	179.6	171	0	0	0	0	112.7	R179 L181	R179-V183 HydrophobicContact CG-CG2 4.47Å; R179-V183 WeakPolarHBondContact O-CB 3.43Å; R179-V183 VanDerWaalsContact O-CG2 3.23Å; R179-V183 WeakPolarHBondContact O-CG2 3.36Å; R179-V183 PolarHBondContact O-N 2.82Å; L181-V183 PolarHBondContact O-N 3.07Å
184	N	87.8	Confident	83.3	Confident	61 Å²	61	50.7 Å²	50.7	33%	0.326	27%	0.265	S	S	.	.	H	α-helix	trans	-83.3	-23.7	177.7	-77.1	-65.9	0	0	0	113.3	K180 L181 A182 T240 K278	K180-N184 WeakPolarHBondContact O-CB 3.37Å; K180-N184 PolarHBondContact O-N 3.29Å; K180-N184 VanDerWaalsContact O-N 3.17Å; K180-N184 PolarHBondContact O-ND2 2.99Å; L181-N184 PolarHBondContact O-N 3.43Å; L181-N184 VanDerWaalsContact O-N 3.12Å; A182-N184 VanDerWaalsContact C-N 3.27Å; A182-N184 PolarHBondContact O-N 3.5Å; N184-T240 WeakPolarHBondContact O-CG2 3.44Å; N184-K278 HydrophobicContact CB-CG 4.29Å; N184-K278 WeakPolarHBondContact OD1-CE 3.44Å
185	M	87.8	Confident	84.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-103	-24.4	-171.3	-69	-60.4	-62.6	0	0	113.5	L181 A182 P187 F194 T240 A242 I296 N298	L181-M185 HydrophobicContact CD1-CG 3.82Å; L181-M185 HydrophobicContact CG-CG 4.21Å; L181-M185 WeakPolarHBondContact O-CB 3.34Å; L181-M185 VanDerWaalsContact O-CG 3.29Å; L181-M185 WeakPolarHBondContact O-CG 3.44Å; L181-M185 PolarHBondContact O-N 3.32Å; A182-M185 PolarHBondContact O-N 3.22Å; A182-M185 VanDerWaalsContact O-N 3.11Å; M185-P187 WeakPolarHBondContact O-CD 3.4Å; M185-F194 HydrophobicContact CB-CE1 3.78Å; M185-F194 HydrophobicContact CB-CE2 4.3Å; M185-F194 HydrophobicContact CB-CZ 3.47Å; M185-F194 VanDerWaalsContact CB-CZ 3.47Å; M185-F194 HydrophobicContact CE-CD1 4.42Å; M185-F194 HydrophobicContact CE-CE1 4.35Å; M185-F194 HydrophobicContact CG-CZ 4.44Å; M185-T240 WeakPolarHBondContact CA-OG1 3.27Å; M185-T240 PolarHBondContact O-OG1 3.18Å; M185-A242 HydrophobicContact CE-CB 4.15Å; M185-A242 HydrophobicContact CG-CB 4.37Å; M185-A242 HydrophobicContact SD-CB 3.49Å; M185-A242 WeakPolarHBondContact SD-CB 3.37Å; M185-A242 PolarHBondContact SD-N 3.04Å; M185-I296 HydrophobicContact CE-CB 4.31Å; M185-I296 HydrophobicContact CE-CG2 3.95Å; M185-I296 VanDerWaalsContact CE-O 3.26Å; M185-I296 WeakPolarHBondContact CE-O 3.31Å; M185-N298 HydrophobicContact CE-CB 4.48Å; M185-N298 PolarHBondContact O-ND2 2.95Å
186	V	91.2	Very high	86.6	Confident	29 Å²	29	41.7 Å²	41.7	18%	0.176	22%	0.217	C	C	.	.			trans	-111.6	92.6	-175.4	-173.9	0	0	0	0	109.3	A182 F188 H192 F194	A182-V186 WeakPolarHBondContact O-CB 3.29Å; A182-V186 PolarHBondContact O-N 3.16Å; V186-F188 VanDerWaalsContact C-N 3.35Å; V186-F188 WeakPolarHBondContact CG1-O 3.35Å; V186-H192 HydrophobicContact CG1-CB 3.9Å; V186-H192 HydrophobicContact CG2-CB 3.81Å; V186-F194 HydrophobicContact CG2-CE1 4.1Å; V186-F194 HydrophobicContact CG2-CZ 3.63Å
187	P	88	Confident	88	Confident	48 Å²	48	41 Å²	41	31%	0.312	21%	0.211	S	C	.	.	S	Bend	trans	-71.3	-32.4	175.7	28	-33.2	0	0	0	112	M185 L239 I273	M185-P187 WeakPolarHBondContact O-CD 3.4Å; P187-L239 HydrophobicContact CG-CB 4.29Å; P187-L239 HydrophobicContact CG-CD1 4.22Å; P187-I273 HydrophobicContact CB-CD1 3.98Å; P187-I273 HydrophobicContact CG-CD1 4.15Å
188	F	90.6	Very high	89	Confident	58 Å²	58	38.2 Å²	38.2	25%	0.254	20%	0.196	S	C	.	.	S	Bend	trans	-127	134.6	-179.4	-59	-70.5	0	0	0	110.2	V186 R190 L191 W272 Y353	V186-F188 VanDerWaalsContact C-N 3.35Å; V186-F188 WeakPolarHBondContact CG1-O 3.35Å; F188-R190 VanDerWaalsContact C-N 3.28Å; F188-R190 PolarHBondContact O-N 2.95Å; F188-R190 VanDerWaalsContact O-N 3.14Å; F188-L191 HydrophobicContact CB-CB 4.32Å; F188-L191 HydrophobicContact CB-CD1 4.35Å; F188-L191 HydrophobicContact CB-CG 4.17Å; F188-L191 HydrophobicContact CD2-CD1 4.01Å; F188-L191 PolarHBondContact O-N 3.25Å; F188-W272 AromaticContact CE2-CH2 3.49Å; F188-W272 HydrophobicContact CE2-CH2 3.49Å; F188-W272 VanDerWaalsContact CE2-CH2 3.49Å; F188-W272 HydrophobicContact CE2-CZ2 4.35Å; F188-W272 HydrophobicContact CE2-CZ3 4.06Å; F188-W272 AromaticContact CZ-CH2 3.93Å; F188-W272 HydrophobicContact CZ-CH2 3.93Å; F188-W272 HydrophobicContact CZ-CZ3 4.06Å; F188-Y353 HydrophobicContact CD2-CD1 4.46Å; F188-Y353 HydrophobicContact CD2-CD2 4.28Å; F188-Y353 HydrophobicContact CD2-CE1 4.04Å; F188-Y353 AromaticContact CD2-CE2 3.82Å; F188-Y353 HydrophobicContact CD2-CE2 3.82Å; F188-Y353 AromaticContact CD2-CZ 3.68Å; F188-Y353 AromaticContact CE1-CE1 3.98Å; F188-Y353 HydrophobicContact CE1-CE1 3.98Å; F188-Y353 AromaticContact CE1-CZ 3.84Å; F188-Y353 WeakPolarHBondContact CE1-OH 3.5Å; F188-Y353 AromaticContact CE2-CD1 3.6Å; F188-Y353 HydrophobicContact CE2-CD1 3.6Å; F188-Y353 HydrophobicContact CE2-CD2 4.2Å; F188-Y353 AromaticContact CE2-CE1 3.22Å; F188-Y353 HydrophobicContact CE2-CE1 3.22Å; F188-Y353 AromaticContact CE2-CE2 3.86Å; F188-Y353 HydrophobicContact CE2-CE2 3.86Å; F188-Y353 HydrophobicContact CE2-CG 4.08Å; F188-Y353 AromaticContact CE2-CZ 3.35Å; F188-Y353 HydrophobicContact CG-CE2 4.28Å; F188-Y353 AromaticContact CZ-CD1 3.97Å; F188-Y353 HydrophobicContact CZ-CD1 3.97Å; F188-Y353 AromaticContact CZ-CE1 3.21Å; F188-Y353 HydrophobicContact CZ-CE1 3.21Å; F188-Y353 HydrophobicContact CZ-CE2 4.4Å; F188-Y353 AromaticContact CZ-CZ 3.46Å; F188-Y353 VanDerWaalsContact CZ-CZ 3.46Å; F188-Y353 WeakPolarHBondContact CZ-OH 3.5Å
189	P	87.4	Confident	89.8	Confident	110 Å²	110	37.1 Å²	37.1	71%	0.714	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-36.3	-172.1	-28.7	34.9	0	0	0	115	H192	P189-H192 PolarHBondContact O-ND1 2.99Å
190	R	91.4	Very high	90.1	Very high	73 Å²	73	31.5 Å²	31.5	28%	0.275	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-21.2	-179.6	-68.4	170.6	61.7	105.1	-1.8	113.4	V121 F188 H192 N342 L346 E349	V121-R190 HydrophobicContact CG1-CB 4.28Å; V121-R190 HydrophobicContact CG1-CG 4.09Å; F188-R190 VanDerWaalsContact C-N 3.28Å; F188-R190 PolarHBondContact O-N 2.95Å; F188-R190 VanDerWaalsContact O-N 3.14Å; R190-H192 PolarHBondContact O-N 3.42Å; R190-N342 PolarHBondContact NH1-OD1 3.17Å; R190-N342 PolarHBondContact NH2-OD1 2.97Å; R190-L346 HydrophobicContact CB-CD1 4.48Å; R190-L346 WeakPolarHBondContact O-CD1 3.04Å; R190-E349 WeakPolarHBondContact CB-OE2 3.25Å; R190-E349 IonicContact CZ-OE1 3.31Å; R190-E349 VanDerWaalsContact CZ-OE1 3.23Å; R190-E349 IonicContact NE-OE1 2.76Å; R190-E349 PolarHBondContact NE-OE1 3.18Å; R190-E349 IonicContact NE-OE2 2.73Å; R190-E349 PolarHBondContact NE-OE2 3.42Å; R190-E349 IonicContact NH2-OE1 3.92Å; R190-E349 PolarHBondContact NH2-OE1 3.16Å; R190-E349 VanDerWaalsContact NH2-OE1 3.14Å
191	L	93.3	Very high	90.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.15	C	C	.	.			trans	-98.1	58.9	-175.7	-53.3	-171.2	0	0	0	111.6	F188 L239 N298 L346 E349 Y350 Y353	F188-L191 HydrophobicContact CB-CB 4.32Å; F188-L191 HydrophobicContact CB-CD1 4.35Å; F188-L191 HydrophobicContact CB-CG 4.17Å; F188-L191 HydrophobicContact CD2-CD1 4.01Å; F188-L191 PolarHBondContact O-N 3.25Å; L191-L239 HydrophobicContact CD1-CD1 4.1Å; L191-N298 PolarHBondContact O-ND2 2.98Å; L191-L346 HydrophobicContact CD2-CD1 3.79Å; L191-E349 HydrophobicContact CD2-CB 4.11Å; L191-Y350 HydrophobicContact CB-CE1 4.04Å; L191-Y350 HydrophobicContact CD1-CD1 4.23Å; L191-Y350 HydrophobicContact CD1-CE1 4.22Å; L191-Y350 HydrophobicContact CD2-CD1 4.01Å; L191-Y350 HydrophobicContact CD2-CD2 3.92Å; L191-Y350 HydrophobicContact CD2-CE1 3.81Å; L191-Y350 HydrophobicContact CD2-CE2 3.69Å; L191-Y350 HydrophobicContact CD2-CG 4.08Å; L191-Y350 HydrophobicContact CG-CE1 4.25Å; L191-Y353 HydrophobicContact CD1-CD2 3.4Å; L191-Y353 VanDerWaalsContact CD1-CD2 3.4Å; L191-Y353 HydrophobicContact CD1-CE2 3.63Å; L191-Y353 HydrophobicContact CD1-CG 4.41Å
192	H	94.3	Very high	89.7	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.005	15%	0.149	C	C	.	.			trans	-109.4	18.8	-178.1	59.6	-98.2	0	0	0	113.8	L120 V121 T124 D125 T127 V186 P189 R190	L120-H192 PolarHBondContact O-NE2 3.45Å; V121-H192 PolarHBondContact O-CE1 3.5Å; T124-H192 PolarHBondContact O-CE1 3.39Å; T124-H192 PolarHBondContact O-NE2 3.4Å; T124-H192 PolarHBondContact OG1-CD2 2.97Å; T124-H192 PolarHBondContact OG1-NE2 3.42Å; D125-H192 WeakPolarHBondContact O-CB 3.42Å; T127-H192 PolarHBondContact N-O 3.08Å; V186-H192 HydrophobicContact CG1-CB 3.9Å; V186-H192 HydrophobicContact CG2-CB 3.81Å; P189-H192 PolarHBondContact O-ND1 2.99Å; R190-H192 PolarHBondContact O-N 3.42Å
193	F	95.2	Very high	89.1	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.009	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	115.8	176.1	-60.9	-85.1	0	0	0	110.9	V117 L120 V121 T127 I302 F306 L346	V117-F193 HydrophobicContact CG1-CZ 4.27Å; L120-F193 HydrophobicContact CB-CE1 4.28Å; L120-F193 HydrophobicContact CB-CZ 4.34Å; V121-F193 HydrophobicContact CG2-CE2 3.76Å; V121-F193 HydrophobicContact CG2-CZ 3.68Å; T127-F193 HydrophobicContact CG2-CD1 3.59Å; T127-F193 HydrophobicContact CG2-CE1 3.78Å; T127-F193 CarbonylContact O-C 3.47Å; T127-F193 WeakPolarHBondContact O-CA 3.48Å; F193-I302 HydrophobicContact CB-CG1 4.35Å; F193-F306 HydrophobicContact CB-CE2 4.29Å; F193-F306 HydrophobicContact CB-CZ 4.12Å; F193-F306 AromaticContact CD1-CZ 3.73Å; F193-F306 HydrophobicContact CD1-CZ 3.73Å; F193-F306 HydrophobicContact CD2-CE2 4.18Å; F193-F306 AromaticContact CD2-CZ 3.87Å; F193-F306 HydrophobicContact CD2-CZ 3.87Å; F193-F306 HydrophobicContact CE1-CZ 4.08Å; F193-F306 HydrophobicContact CE2-CZ 4.23Å; F193-F306 HydrophobicContact CG-CE2 4.12Å; F193-F306 AromaticContact CG-CZ 3.61Å; F193-F306 HydrophobicContact CG-CZ 3.61Å; F193-F306 HydrophobicContact CZ-CZ 4.33Å; F193-L346 HydrophobicContact CD2-CD2 4.14Å; F193-L346 HydrophobicContact CE2-CD1 4.27Å; F193-L346 HydrophobicContact CE2-CD2 3.7Å; F193-L346 HydrophobicContact CZ-CD2 4.38Å
194	F	94.9	Very high	88.1	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	145.4	-177.8	-55.2	-38.4	0	0	0	112.3	E126 T127 Y128 C129 M185 V186 P196 I296 G297 N298	E126-F194 HydrophobicContact CB-CD2 4.38Å; E126-F194 HydrophobicContact CB-CE2 3.68Å; E126-F194 HydrophobicContact CB-CZ 4.43Å; E126-F194 HydrophobicContact CG-CE2 3.68Å; E126-F194 HydrophobicContact CG-CZ 4.14Å; T127-F194 PolarHBondContact O-N 3.38Å; Y128-F194 HydrophobicContact CD1-CB 4.23Å; Y128-F194 HydrophobicContact CD1-CD2 4.1Å; Y128-F194 AromaticContact CE1-CD2 3.74Å; Y128-F194 HydrophobicContact CE1-CD2 3.74Å; Y128-F194 HydrophobicContact CE2-CD2 4.39Å; Y128-F194 AromaticContact CZ-CD2 3.85Å; C129-F194 WeakPolarHBondContact CB-O 3.3Å; C129-F194 PolarHBondContact N-O 2.89Å; M185-F194 HydrophobicContact CB-CE1 3.78Å; M185-F194 HydrophobicContact CB-CE2 4.3Å; M185-F194 HydrophobicContact CB-CZ 3.47Å; M185-F194 VanDerWaalsContact CB-CZ 3.47Å; M185-F194 HydrophobicContact CE-CD1 4.42Å; M185-F194 HydrophobicContact CE-CE1 4.35Å; M185-F194 HydrophobicContact CG-CZ 4.44Å; V186-F194 HydrophobicContact CG2-CE1 4.1Å; V186-F194 HydrophobicContact CG2-CZ 3.63Å; F194-P196 VanDerWaalsContact O-CD 3.3Å; F194-P196 WeakPolarHBondContact O-CD 3.31Å; F194-I296 HydrophobicContact CB-CG2 3.72Å; F194-I296 HydrophobicContact CD1-CG2 4.5Å; F194-I296 HydrophobicContact CD2-CG2 3.82Å; F194-I296 HydrophobicContact CG-CG2 3.77Å; F194-G297 WeakPolarHBondContact CA-O 3.37Å; F194-N298 HydrophobicContact CD1-CB 3.88Å; F194-N298 HydrophobicContact CE1-CB 4.01Å
195	M	93.5	Very high	87	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	104.2	167.1	-64.7	179.6	69.3	0	0	109	M227 A229 C231 P233 G297 A301 I302	M195-M227 HydrophobicContact CE-CB 4.36Å; M195-M227 HydrophobicContact CE-CG 4.36Å; M195-A229 HydrophobicContact CB-CB 4.37Å; M195-A229 HydrophobicContact CE-CB 4.05Å; M195-A229 HydrophobicContact CG-CB 4.04Å; M195-C231 HydrophobicContact CE-CB 3.61Å; M195-C231 HydrophobicContact SD-CB 4.34Å; M195-P233 HydrophobicContact CE-CG 4.36Å; M195-G297 PolarHBondContact N-O 3.01Å; M195-G297 PolarHBondContact O-N 3.3Å; M195-A301 HydrophobicContact SD-CB 4.49Å; M195-I302 HydrophobicContact CG-CB 4.36Å; M195-I302 HydrophobicContact CG-CD1 3.56Å; M195-I302 HydrophobicContact CG-CG1 4.46Å; M195-I302 HydrophobicContact SD-CB 4.44Å; M195-I302 HydrophobicContact SD-CD1 4.37Å
196	P	93.7	Very high	86.1	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	150.8	174.1	22	-16.6	0	0	0	111	C129 I130 T160 F194 M228 F295	C129-P196 WeakPolarHBondContact O-CD 3.37Å; C129-P196 WeakPolarHBondContact O-CG 3.48Å; I130-P196 HydrophobicContact CG1-CG 4.23Å; T160-P196 HydrophobicContact CG2-CB 3.47Å; T160-P196 VanDerWaalsContact CG2-CB 3.47Å; T160-P196 HydrophobicContact CG2-CG 4.26Å; F194-P196 VanDerWaalsContact O-CD 3.3Å; F194-P196 WeakPolarHBondContact O-CD 3.31Å; P196-M228 HydrophobicContact CG-CB 4.06Å; P196-M228 VanDerWaalsContact O-CB 3.29Å; P196-M228 WeakPolarHBondContact O-CB 3.31Å; P196-M228 WeakPolarHBondContact O-CG 3.39Å; P196-M228 PolarHBondContact O-N 3.42Å; P196-F295 CarbonylContact C-O 3.52Å; P196-F295 WeakPolarHBondContact CA-O 3.3Å
197	G	92.4	Very high	84.9	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	156.1	170.5	0	0	0	0	0	110.5	F295	G197-F295 PolarHBondContact N-O 2.88Å; G197-F295 PolarHBondContact O-N 3.45Å
198	F	92	Very high	83.7	Confident	15 Å²	15	43.7 Å²	43.7	7%	0.066	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	136.1	177.3	-175.7	-94.4	0	0	0	110.3	A159 L201 M228 L289 A292	A159-F198 HydrophobicContact CB-CD1 4.46Å; A159-F198 HydrophobicContact CB-CD2 4.24Å; A159-F198 HydrophobicContact CB-CE1 4.33Å; A159-F198 HydrophobicContact CB-CE2 4.1Å; A159-F198 HydrophobicContact CB-CG 4.42Å; A159-F198 HydrophobicContact CB-CZ 4.14Å; F198-L201 HydrophobicContact CD1-CD2 4.1Å; F198-L201 WeakPolarHBondContact O-CG 3.46Å; F198-M228 HydrophobicContact CB-CE 3.75Å; F198-L289 HydrophobicContact CE1-CD1 4.31Å; F198-L289 HydrophobicContact CZ-CD1 4.09Å; F198-A292 HydrophobicContact CE2-CB 4.17Å; F198-A292 HydrophobicContact CZ-CB 3.93Å
199	A	91.1	Very high	82.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	141.8	171.2	0	0	0	0	0	109.6	L217 Q220 M221 A292 A293	A199-L217 HydrophobicContact CB-CD2 4.09Å; A199-Q220 HydrophobicContact CB-CB 3.93Å; A199-M221 HydrophobicContact CB-CG 3.93Å; A199-A292 CarbonylContact O-C 3.51Å; A199-A292 WeakPolarHBondContact O-CA 3.25Å; A199-A293 PolarHBondContact N-O 3.36Å; A199-A293 PolarHBondContact O-N 3.43Å; A199-A293 VanDerWaalsContact O-O 3.09Å
200	P	89.6	Confident	81.5	Confident	6 Å²	6	51 Å²	51	4%	0.039	24%	0.24	C	C	.	.			cis	-89	146.6	1.9	35.5	-35	0	0	0	113.4	T202 L212 L217 L289	P200-T202 HydrophobicContact CB-CG2 4.26Å; P200-L212 HydrophobicContact CB-CD1 4.41Å; P200-L212 HydrophobicContact CB-CD2 3.39Å; P200-L212 HydrophobicContact CG-CD1 3.81Å; P200-L212 HydrophobicContact CG-CD2 3.65Å; P200-L212 HydrophobicContact CG-CG 4.39Å; P200-L217 HydrophobicContact CB-CD2 4.2Å; P200-L217 HydrophobicContact CG-CD2 4.34Å; P200-L289 HydrophobicContact CG-CD1 4.4Å; P200-L289 HydrophobicContact CG-CD2 4.12Å
201	L	84.1	Confident	80.3	Confident	8 Å²	8	51.9 Å²	51.9	4%	0.042	26%	0.258	C	S	.	.			trans	-102.1	90.7	168	-64.5	170.6	0	0	0	108.6	I138 T142 L156 F198 N226 M228	I138-L201 HydrophobicContact CD1-CD1 4.11Å; I138-L201 HydrophobicContact CG1-CD1 4.35Å; I138-L201 HydrophobicContact CG2-CD1 3.79Å; I138-L201 HydrophobicContact CG2-CD2 4.3Å; T142-L201 HydrophobicContact CG2-CB 4.02Å; L156-L201 HydrophobicContact CD2-CD2 3.52Å; F198-L201 HydrophobicContact CD1-CD2 4.1Å; F198-L201 WeakPolarHBondContact O-CG 3.46Å; L201-N226 HydrophobicContact CD1-CB 3.88Å; L201-M228 HydrophobicContact CD2-CE 4.24Å
202	T	72.8	Confident	79.7	Confident	24 Å²	24	53.9 Å²	53.9	15%	0.147	27%	0.268	C	S	.	.			trans	-116.3	138.3	179.6	51.9	0	0	0	0	111.1	L143 P200	L143-T202 WeakPolarHBondContact CD2-O 3.29Å; P200-T202 HydrophobicContact CB-CG2 4.26Å
203	S	72.2	Confident	79.4	Confident	23 Å²	23	55.7 Å²	55.7	16%	0.161	28%	0.281	C	S	.	.			trans	-65.4	151.5	171	75	0	0	0	0	110	L143 G205 S206 Q207	L143-S203 WeakPolarHBondContact O-CB 3.5Å; S203-G205 PolarHBondContact O-N 2.72Å; S203-G205 VanDerWaalsContact O-N 3.08Å; S203-S206 PolarHBondContact O-N 3.27Å; S203-S206 WeakPolarHBondContact OG-CB 3.26Å; S203-S206 PolarHBondContact OG-N 3.14Å; S203-S206 PolarHBondContact OG-OG 2.86Å; S203-S206 VanDerWaalsContact OG-OG 3.11Å; S203-Q207 PolarHBondContact O-N 3.42Å; S203-Q207 VanDerWaalsContact O-N 3.15Å
204	R	67.4	Low	79.2	Confident	221 Å²	221	55.8 Å²	55.8	83%	0.834	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-30.4	179.3	-64.7	-177.5	-178.1	176.7	4	113.1
205	G	63.2	Low	79	Confident	55 Å²	55	57.8 Å²	57.8	57%	0.567	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-28	178.7	0	0	0	0	0	114.6	S203	S203-G205 PolarHBondContact O-N 2.72Å; S203-G205 VanDerWaalsContact O-N 3.08Å
206	S	69.1	Low	78.8	Confident	64 Å²	64	60.4 Å²	60.4	45%	0.448	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-10.8	-178.2	-59	0	0	0	0	113.5	S203 Q208 Y209 R210	S203-S206 PolarHBondContact O-N 3.27Å; S203-S206 WeakPolarHBondContact OG-CB 3.26Å; S203-S206 PolarHBondContact OG-N 3.14Å; S203-S206 PolarHBondContact OG-OG 2.86Å; S203-S206 VanDerWaalsContact OG-OG 3.11Å; S206-Q208 VanDerWaalsContact C-N 3.29Å; S206-Q208 PolarHBondContact O-N 3.09Å; S206-Y209 PolarHBondContact O-N 3.09Å; S206-R210 PolarHBondContact O-N 2.73Å
207	Q	67.3	Low	78.7	Confident	80 Å²	80	60.4 Å²	60.4	37%	0.374	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-31.6	-175.7	-166.8	178.6	-1.5	0	0	113.7	S203 G288	S203-Q207 PolarHBondContact O-N 3.42Å; S203-Q207 VanDerWaalsContact O-N 3.15Å; Q207-G288 PolarHBondContact NE2-O 3.28Å; Q207-G288 VanDerWaalsContact NE2-O 3.1Å
208	Q	62.1	Low	78.6	Confident	175 Å²	175	60.4 Å²	60.4	82%	0.818	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-23	-179.7	-67.3	-178	2	0	0	113.8	S206	S206-Q208 VanDerWaalsContact C-N 3.29Å; S206-Q208 PolarHBondContact O-N 3.09Å
209	Y	64.4	Low	78.5	Confident	204 Å²	204	66.7 Å²	66.7	80%	0.8	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-11.5	-173.1	-62.8	-78.7	0	0	0	113.5	S206	S206-Y209 PolarHBondContact O-N 3.09Å
210	R	68.2	Low	78.4	Confident	117 Å²	117	67.5 Å²	67.5	44%	0.442	34%	0.34	S	S	.	.			trans	-100.6	115	-175.6	-156.5	173.5	-171.6	171.1	5.5	110.9	S206 L212 E216	S206-R210 PolarHBondContact O-N 2.73Å; R210-L212 PolarHBondContact O-N 3.32Å; R210-E216 IonicContact NE-OE2 3.77Å
211	S	65.6	Low	78.4	Confident	93 Å²	93	67.3 Å²	67.3	65%	0.65	34%	0.339	S	S	*	.			trans	-76.9	97.2	170.9	53.4	0	0	0	0	109.9	S213	S211-S213 PolarHBondContact O-N 2.93Å
212	L	80.8	Confident	78.6	Confident	41 Å²	41	68.1 Å²	68.1	22%	0.215	34%	0.342	C	S	.	.			trans	-66.5	126.4	175.2	-71.2	154	0	0	0	110.1	P200 R210 L217 M291	P200-L212 HydrophobicContact CB-CD1 4.41Å; P200-L212 HydrophobicContact CB-CD2 3.39Å; P200-L212 HydrophobicContact CG-CD1 3.81Å; P200-L212 HydrophobicContact CG-CD2 3.65Å; P200-L212 HydrophobicContact CG-CG 4.39Å; R210-L212 PolarHBondContact O-N 3.32Å; L212-L217 HydrophobicContact CD2-CD2 4.06Å; L212-M291 HydrophobicContact CB-CE 4.18Å; L212-M291 WeakPolarHBondContact O-CE 3.24Å
213	S	89	Confident	79.4	Confident	39 Å²	39	69.5 Å²	69.5	27%	0.273	35%	0.348	S	S	.	.			trans	-125.9	163	173.7	65.6	0	0	0	0	110.4	S211 E216 L217	S211-S213 PolarHBondContact O-N 2.93Å; S213-E216 PolarHBondContact O-N 3.12Å; S213-E216 WeakPolarHBondContact OG-CG 3.28Å; S213-E216 PolarHBondContact OG-N 3.2Å; S213-L217 WeakPolarHBondContact O-CG 3.3Å; S213-L217 PolarHBondContact O-N 2.92Å
214	V	89.6	Confident	80.1	Confident	4 Å²	4	69.7 Å²	69.7	2%	0.024	35%	0.351	C	S	.	.	H	α-helix	trans	-58.6	-46.3	177.7	177.6	0	0	0	0	111.6	E216 L217 T218 F245 M249 E253 V254 Q257	V214-E216 VanDerWaalsContact C-N 3.32Å; V214-E216 PolarHBondContact O-N 3.41Å; V214-L217 PolarHBondContact O-N 3.35Å; V214-T218 PolarHBondContact O-N 3.15Å; V214-T218 PolarHBondContact O-OG1 3.21Å; V214-T218 VanDerWaalsContact O-OG1 3.07Å; V214-F245 HydrophobicContact CG1-CE1 4.43Å; V214-M249 HydrophobicContact CG2-CB 3.9Å; V214-M249 HydrophobicContact CG2-SD 4.11Å; V214-E253 HydrophobicContact CB-CG 4.1Å; V214-E253 HydrophobicContact CG1-CG 4.3Å; V214-V254 HydrophobicContact CG1-CB 4.39Å; V214-V254 HydrophobicContact CG1-CG2 3.76Å; V214-V254 HydrophobicContact CG2-CG2 4.44Å; V214-Q257 HydrophobicContact CG1-CG 4.24Å
215	P	91.4	Very high	80.9	Confident	42 Å²	42	66 Å²	66	27%	0.273	34%	0.341	S	S	.	.	H	α-helix	trans	-58.7	-39.9	176.4	-23.5	33	0	0	0	113.6	T218 Q219 Q257	P215-T218 PolarHBondContact O-N 3.28Å; P215-Q219 WeakPolarHBondContact O-CB 3.26Å; P215-Q219 PolarHBondContact O-N 3.46Å; P215-Q257 HydrophobicContact CB-CG 4.19Å; P215-Q257 HydrophobicContact CG-CG 3.91Å
216	E	89.2	Confident	82	Confident	57 Å²	57	63.8 Å²	63.8	27%	0.266	32%	0.316	S	S	.	.	H	α-helix	trans	-67.6	-38	177.6	-76.2	-176.6	-160.8	0	0	112.8	R210 S213 V214 Q220	R210-E216 IonicContact NE-OE2 3.77Å; S213-E216 PolarHBondContact O-N 3.12Å; S213-E216 WeakPolarHBondContact OG-CG 3.28Å; S213-E216 PolarHBondContact OG-N 3.2Å; V214-E216 VanDerWaalsContact C-N 3.32Å; V214-E216 PolarHBondContact O-N 3.41Å; E216-Q220 WeakPolarHBondContact O-CB 3.46Å; E216-Q220 WeakPolarHBondContact O-CG 3.42Å; E216-Q220 PolarHBondContact O-N 3.44Å
217	L	90.8	Very high	83	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-49.1	174.7	-72.7	173.9	0	0	0	110.1	A199 P200 L212 S213 V214 Q219 Q220 M221 F245 M291 A293	A199-L217 HydrophobicContact CB-CD2 4.09Å; P200-L217 HydrophobicContact CB-CD2 4.2Å; P200-L217 HydrophobicContact CG-CD2 4.34Å; L212-L217 HydrophobicContact CD2-CD2 4.06Å; S213-L217 WeakPolarHBondContact O-CG 3.3Å; S213-L217 PolarHBondContact O-N 2.92Å; V214-L217 PolarHBondContact O-N 3.35Å; L217-Q219 VanDerWaalsContact C-N 3.34Å; L217-Q219 PolarHBondContact O-N 2.86Å; L217-Q220 PolarHBondContact O-N 2.84Å; L217-Q220 VanDerWaalsContact O-N 3.17Å; L217-M221 VanDerWaalsContact O-CG 3.28Å; L217-M221 WeakPolarHBondContact O-CG 3.35Å; L217-M221 PolarHBondContact O-N 3.08Å; L217-F245 HydrophobicContact CB-CE1 4.38Å; L217-M291 HydrophobicContact CD1-CB 3.83Å; L217-A293 HydrophobicContact CB-CB 4.32Å
218	T	91.1	Very high	84	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-59.5	-45.3	178.7	-55.9	0	0	0	0	111.2	V214 P215 Q220 M221 F222 Q257 M258 V261	V214-T218 PolarHBondContact O-N 3.15Å; V214-T218 PolarHBondContact O-OG1 3.21Å; V214-T218 VanDerWaalsContact O-OG1 3.07Å; P215-T218 PolarHBondContact O-N 3.28Å; T218-Q220 VanDerWaalsContact C-N 3.33Å; T218-Q220 PolarHBondContact O-N 3.35Å; T218-M221 PolarHBondContact O-N 3.04Å; T218-F222 HydrophobicContact CG2-CD2 4.42Å; T218-F222 HydrophobicContact CG2-CE2 4.38Å; T218-F222 WeakPolarHBondContact O-CD2 3.45Å; T218-F222 PolarHBondContact O-N 3.32Å; T218-Q257 HydrophobicContact CG2-CB 4.25Å; T218-M258 HydrophobicContact CG2-SD 3.64Å; T218-V261 HydrophobicContact CG2-CG2 3.69Å
219	Q	89.1	Confident	85.2	Confident	147 Å²	147	48.9 Å²	48.9	69%	0.687	24%	0.24	S	C	*	.	H	α-helix	trans	-63.2	-39.4	177.3	-171.2	178.2	12	0	0	112.4	P215 L217 D223	P215-Q219 WeakPolarHBondContact O-CB 3.26Å; P215-Q219 PolarHBondContact O-N 3.46Å; L217-Q219 VanDerWaalsContact C-N 3.34Å; L217-Q219 PolarHBondContact O-N 2.86Å; Q219-D223 PolarHBondContact O-N 3.07Å
220	Q	89.1	Confident	86.2	Confident	17 Å²	17	40.7 Å²	40.7	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-68.6	-34.3	177.1	-83.7	179.3	56.2	0	0	112.8	A199 E216 L217 T218 F222 D223 N226	A199-Q220 HydrophobicContact CB-CB 3.93Å; E216-Q220 WeakPolarHBondContact O-CB 3.46Å; E216-Q220 WeakPolarHBondContact O-CG 3.42Å; E216-Q220 PolarHBondContact O-N 3.44Å; L217-Q220 PolarHBondContact O-N 2.84Å; L217-Q220 VanDerWaalsContact O-N 3.17Å; T218-Q220 VanDerWaalsContact C-N 3.33Å; T218-Q220 PolarHBondContact O-N 3.35Å; Q220-F222 VanDerWaalsContact C-N 3.3Å; Q220-F222 PolarHBondContact O-N 3.45Å; Q220-D223 PolarHBondContact O-N 2.89Å; Q220-N226 WeakPolarHBondContact CB-ND2 3.42Å; Q220-N226 WeakPolarHBondContact O-CB 3.28Å; Q220-N226 PolarHBondContact O-ND2 2.94Å
221	M	89.9	Confident	87.1	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-37.8	178.9	-73.7	170.4	72.2	0	0	112.5	A199 L217 T218 D223 M227 A243 F245 A293 T294 F295	A199-M221 HydrophobicContact CB-CG 3.93Å; L217-M221 VanDerWaalsContact O-CG 3.28Å; L217-M221 WeakPolarHBondContact O-CG 3.35Å; L217-M221 PolarHBondContact O-N 3.08Å; T218-M221 PolarHBondContact O-N 3.04Å; M221-D223 VanDerWaalsContact C-N 3.35Å; M221-M227 WeakPolarHBondContact O-CE 3.48Å; M221-A243 HydrophobicContact CE-CB 3.53Å; M221-F245 HydrophobicContact SD-CE1 4.13Å; M221-F245 HydrophobicContact SD-CE2 4.47Å; M221-F245 HydrophobicContact SD-CZ 3.86Å; M221-A293 HydrophobicContact CE-CB 4.15Å; M221-A293 HydrophobicContact CG-CB 3.99Å; M221-A293 HydrophobicContact SD-CB 3.21Å; M221-A293 WeakPolarHBondContact SD-CB 3.3Å; M221-T294 WeakPolarHBondContact CE-O 3.32Å; M221-F295 HydrophobicContact CB-CB 4.28Å; M221-F295 HydrophobicContact CB-CD2 4.32Å; M221-F295 HydrophobicContact CE-CB 3.76Å; M221-F295 HydrophobicContact CE-CD2 3.97Å; M221-F295 HydrophobicContact CE-CG 4.39Å; M221-F295 HydrophobicContact CG-CB 4.44Å
222	F	89.1	Confident	88.1	Confident	26 Å²	26	33.2 Å²	33.2	11%	0.114	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	4.9	179.6	-72.3	-86	0	0	0	113.5	T218 Q220 Y238 V241 M258 V261 F269 F295	T218-F222 HydrophobicContact CG2-CD2 4.42Å; T218-F222 HydrophobicContact CG2-CE2 4.38Å; T218-F222 WeakPolarHBondContact O-CD2 3.45Å; T218-F222 PolarHBondContact O-N 3.32Å; Q220-F222 VanDerWaalsContact C-N 3.3Å; Q220-F222 PolarHBondContact O-N 3.45Å; F222-Y238 HydrophobicContact CD1-CE2 4.11Å; F222-Y238 HydrophobicContact CE1-CE2 4.25Å; F222-V241 HydrophobicContact CZ-CG1 4.22Å; F222-M258 HydrophobicContact CE2-CE 3.83Å; F222-M258 HydrophobicContact CE2-SD 4.1Å; F222-M258 HydrophobicContact CZ-CE 3.91Å; F222-V261 HydrophobicContact CD1-CG1 4.24Å; F222-V261 HydrophobicContact CD2-CG1 3.78Å; F222-V261 HydrophobicContact CD2-CG2 4.47Å; F222-V261 HydrophobicContact CE1-CG1 4.3Å; F222-V261 HydrophobicContact CE2-CB 4.43Å; F222-V261 HydrophobicContact CE2-CG1 3.85Å; F222-V261 HydrophobicContact CG-CG1 3.98Å; F222-V261 HydrophobicContact CZ-CG1 4.11Å; F222-F269 HydrophobicContact CE1-CE1 4.26Å; F222-F269 AromaticContact CE1-CZ 3.75Å; F222-F269 HydrophobicContact CE1-CZ 3.75Å; F222-F269 HydrophobicContact CZ-CZ 4.21Å; F222-F295 HydrophobicContact CD1-CE2 4.08Å; F222-F295 HydrophobicContact CD1-CZ 4.5Å; F222-F295 AromaticContact CE1-CE2 3.68Å; F222-F295 HydrophobicContact CE1-CE2 3.68Å; F222-F295 HydrophobicContact CE1-CZ 4.26Å; F222-F295 HydrophobicContact CE2-CE2 4.49Å; F222-F295 AromaticContact CZ-CE2 3.91Å; F222-F295 HydrophobicContact CZ-CE2 3.91Å
223	D	89.3	Confident	88.4	Confident	53 Å²	53	31.5 Å²	31.5	28%	0.283	17%	0.168	S	C	.	.			trans	-79.4	129.6	173.7	-167.1	5.2	0	0	0	110	Q219 Q220 M221 K225 N226	Q219-D223 PolarHBondContact O-N 3.07Å; Q220-D223 PolarHBondContact O-N 2.89Å; M221-D223 VanDerWaalsContact C-N 3.35Å; D223-K225 PolarHBondContact O-N 3.48Å; D223-N226 PolarHBondContact O-N 2.76Å
224	A	86.4	Confident	88.3	Confident	27 Å²	27	36.7 Å²	36.7	22%	0.223	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-55.9	-29.7	179.6	0	0	0	0	0	112.1	N226 M227	A224-N226 PolarHBondContact O-N 3.19Å; A224-M227 PolarHBondContact O-N 2.99Å
225	K	85.4	Confident	88.3	Confident	143 Å²	143	41.8 Å²	41.8	62%	0.622	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-69.7	-16.4	179.8	-63.7	175.6	-174.9	168.2	0	114.5	I138 D223	I138-K225 VanDerWaalsContact CG1-O 3.27Å; I138-K225 WeakPolarHBondContact CG1-O 3.16Å; D223-K225 PolarHBondContact O-N 3.48Å
226	N	85.6	Confident	88.3	Confident	8 Å²	8	40 Å²	40	4%	0.043	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-105.2	2.4	-177.5	-66	-8.3	0	0	0	112.5	L201 Q220 D223 A224	L201-N226 HydrophobicContact CD1-CB 3.88Å; Q220-N226 WeakPolarHBondContact CB-ND2 3.42Å; Q220-N226 WeakPolarHBondContact O-CB 3.28Å; Q220-N226 PolarHBondContact O-ND2 2.94Å; D223-N226 PolarHBondContact O-N 2.76Å; A224-N226 PolarHBondContact O-N 3.19Å
227	M	88.9	Confident	88.4	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.015	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-74.2	136.9	172.3	-63.4	-59.4	169.4	0	0	109.8	I138 M195 M221 A224 A229 P233 Y238 F295	I138-M227 WeakPolarHBondContact CD1-O 3.24Å; M195-M227 HydrophobicContact CE-CB 4.36Å; M195-M227 HydrophobicContact CE-CG 4.36Å; M221-M227 WeakPolarHBondContact O-CE 3.48Å; A224-M227 PolarHBondContact O-N 2.99Å; M227-A229 VanDerWaalsContact C-N 3.25Å; M227-P233 HydrophobicContact CE-CG 3.91Å; M227-P233 HydrophobicContact CG-CG 3.83Å; M227-P233 HydrophobicContact SD-CG 4.47Å; M227-Y238 WeakPolarHBondContact CE-OH 3.41Å; M227-F295 HydrophobicContact CE-CD1 3.71Å; M227-F295 HydrophobicContact CE-CE1 3.48Å; M227-F295 VanDerWaalsContact CE-CE1 3.48Å; M227-F295 HydrophobicContact CE-CG 4.43Å; M227-F295 HydrophobicContact CE-CZ 4.05Å; M227-F295 HydrophobicContact SD-CD1 3.73Å; M227-F295 HydrophobicContact SD-CE1 3.81Å
228	M	88.4	Confident	88.5	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.01	20%	0.196	C	C	.	.	S	Bend	trans	-87.5	2	177.3	-57.5	-69.1	179.4	0	0	112	D131 L135 I138 L156 P196 F198 L201	D131-M228 PolarHBondContact N-O 3.28Å; L135-M228 HydrophobicContact CD2-SD 3.36Å; L135-M228 WeakPolarHBondContact CD2-SD 3.31Å; I138-M228 HydrophobicContact CD1-CE 4.29Å; I138-M228 HydrophobicContact CD1-SD 3.68Å; L156-M228 HydrophobicContact CB-CE 4.08Å; L156-M228 HydrophobicContact CB-SD 4.33Å; L156-M228 HydrophobicContact CD2-CE 4.32Å; P196-M228 HydrophobicContact CG-CB 4.06Å; P196-M228 VanDerWaalsContact O-CB 3.29Å; P196-M228 WeakPolarHBondContact O-CB 3.31Å; P196-M228 WeakPolarHBondContact O-CG 3.39Å; P196-M228 PolarHBondContact O-N 3.42Å; F198-M228 HydrophobicContact CB-CE 3.75Å; L201-M228 HydrophobicContact CD2-CE 4.24Å
229	A	88.1	Confident	88.6	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.008	20%	0.196	C	C	.	.	S	Bend	trans	-113.9	135.9	168.9	0	0	0	0	0	108.4	M195 M227 C231 I302 L305	M195-A229 HydrophobicContact CB-CB 4.37Å; M195-A229 HydrophobicContact CE-CB 4.05Å; M195-A229 HydrophobicContact CG-CB 4.04Å; M227-A229 VanDerWaalsContact C-N 3.25Å; A229-C231 PolarHBondContact O-N 3.46Å; A229-I302 HydrophobicContact CB-CD1 4.21Å; A229-L305 HydrophobicContact CB-CD1 4.44Å
230	A	86.4	Confident	88.8	Confident	32 Å²	32	34.4 Å²	34.4	26%	0.264	16%	0.164	S	C	.	.	S	Bend	trans	-81.6	65.1	-176.2	0	0	0	0	0	111.2	D131 E133 A134	D131-A230 WeakPolarHBondContact OD2-CB 3.2Å; D131-A230 PolarHBondContact OD2-N 2.78Å; E133-A230 HydrophobicContact CB-CB 4.07Å; E133-A230 HydrophobicContact CG-CB 4.38Å; A134-A230 HydrophobicContact CB-CB 4.06Å
231	C	86.1	Confident	89	Confident	7 Å²	7	33.6 Å²	33.6	5%	0.047	16%	0.161	C	C	.	.	S	Bend	trans	-131.4	144.4	173	-40.9	0	0	0	0	108.5	M195 A229 P233 A301 E304	M195-C231 HydrophobicContact CE-CB 3.61Å; M195-C231 HydrophobicContact SD-CB 4.34Å; A229-C231 PolarHBondContact O-N 3.46Å; C231-P233 VanDerWaalsContact O-CD 3.29Å; C231-P233 WeakPolarHBondContact O-CD 3.5Å; C231-A301 HydrophobicContact CB-CB 4.36Å; C231-A301 WeakPolarHBondContact CB-O 3.48Å; C231-E304 WeakPolarHBondContact CA-OE2 3.46Å; C231-E304 HydrophobicContact CB-CB 4.28Å
232	D	86.9	Confident	89	Confident	47 Å²	47	33.8 Å²	33.8	25%	0.251	16%	0.163	S	C	.	.			trans	-84.5	113.7	171.6	-166.6	-25.5	0	0	0	109.1	R234 H235 A301 E304	D232-R234 PolarHBondContact O-N 3.02Å; D232-R234 VanDerWaalsContact OD1-CB 3.28Å; D232-R234 WeakPolarHBondContact OD1-CB 3.41Å; D232-R234 VanDerWaalsContact OD1-CG 3.3Å; D232-R234 WeakPolarHBondContact OD1-CG 3.5Å; D232-R234 PolarHBondContact OD1-N 2.98Å; D232-H235 PolarHBondContact O-N 3.26Å; D232-A301 WeakPolarHBondContact O-CB 3.5Å; D232-E304 PolarHBondContact N-OE2 3.36Å; D232-E304 VanDerWaalsContact N-OE2 3.14Å
233	P	86.2	Confident	89.1	Confident	5 Å²	5	32.6 Å²	32.6	3%	0.032	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-62	-15.1	-179.8	-18.7	31.4	0	0	0	113.8	M195 M227 C231 H235 G236 Y238	M195-P233 HydrophobicContact CE-CG 4.36Å; M227-P233 HydrophobicContact CE-CG 3.91Å; M227-P233 HydrophobicContact CG-CG 3.83Å; M227-P233 HydrophobicContact SD-CG 4.47Å; C231-P233 VanDerWaalsContact O-CD 3.29Å; C231-P233 WeakPolarHBondContact O-CD 3.5Å; P233-H235 VanDerWaalsContact C-N 3.32Å; P233-G236 PolarHBondContact O-N 3.49Å; P233-Y238 HydrophobicContact CB-CE1 4.32Å; P233-Y238 HydrophobicContact CB-CE2 4.18Å; P233-Y238 WeakPolarHBondContact CB-OH 3.49Å; P233-Y238 WeakPolarHBondContact CG-OH 3.47Å
234	R	87.8	Confident	89.2	Confident	147 Å²	147	30.4 Å²	30.4	56%	0.555	15%	0.146	S	C	*	.	G	3₁₀ helix	trans	-76.2	-18.2	177	-60.1	171.9	-177.8	-176.3	2.5	113.4	D232 Y268	D232-R234 PolarHBondContact O-N 3.02Å; D232-R234 VanDerWaalsContact OD1-CB 3.28Å; D232-R234 WeakPolarHBondContact OD1-CB 3.41Å; D232-R234 VanDerWaalsContact OD1-CG 3.3Å; D232-R234 WeakPolarHBondContact OD1-CG 3.5Å; D232-R234 PolarHBondContact OD1-N 2.98Å; R234-Y268 HydrophobicContact CB-CE1 4.03Å; R234-Y268 HydrophobicContact CG-CE1 4.47Å; R234-Y268 WeakPolarHBondContact O-CE1 3.38Å
235	H	89.9	Confident	89.4	Confident	111 Å²	111	29.1 Å²	29.1	51%	0.514	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-81.9	-5.1	175.6	-65.2	166	0	0	0	113	D232 P233 E304 Q354	D232-H235 PolarHBondContact O-N 3.26Å; P233-H235 VanDerWaalsContact C-N 3.32Å; H235-E304 IonicContact CE1-OE1 3.78Å; H235-E304 IonicContact CG-OE1 2.76Å; H235-E304 IonicContact ND1-OE1 3.49Å; H235-E304 PolarHBondContact ND1-OE1 3.27Å; H235-Q354 PolarHBondContact O-NE2 2.99Å
236	G	89.9	Confident	89.7	Confident	4 Å²	4	22.8 Å²	22.8	4%	0.041	11%	0.108	C	C	.	.	S	Bend	trans	-135.6	-165	177.4	0	0	0	0	0	112.8	P233 T300	P233-G236 PolarHBondContact O-N 3.49Å; G236-T300 VanDerWaalsContact CA-OG1 3.31Å; G236-T300 WeakPolarHBondContact CA-OG1 3.29Å
237	R	92.8	Very high	89.8	Confident	74 Å²	74	22.4 Å²	22.4	28%	0.279	11%	0.105	S	C	.	.			trans	-125.6	142.9	176.3	-64.7	-178.9	174.8	172	-0.8	109.8	L239 Y268 V270 S299 T300 Q354 A356	R237-L239 PolarHBondContact O-N 3.22Å; R237-Y268 CarbonylContact C-O 3.49Å; R237-Y268 VanDerWaalsContact CA-O 3.29Å; R237-Y268 WeakPolarHBondContact CA-O 3.19Å; R237-V270 HydrophobicContact CB-CG1 3.92Å; R237-S299 WeakPolarHBondContact O-CA 3.4Å; R237-S299 PolarHBondContact O-OG 2.98Å; R237-T300 PolarHBondContact N-OG1 3.31Å; R237-T300 PolarHBondContact O-N 3.21Å; R237-T300 PolarHBondContact O-OG1 3.43Å; R237-Q354 PolarHBondContact NH1-O 2.92Å; R237-A356 PolarHBondContact NH1-O 2.78Å
238	Y	93.3	Very high	89.7	Confident	9 Å²	9	33 Å²	33	4%	0.035	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120.6	171.7	-69.7	-70.1	0	0	0	109.8	F222 M227 P233 V241 Y268 F269 V270 N276 F295	F222-Y238 HydrophobicContact CD1-CE2 4.11Å; F222-Y238 HydrophobicContact CE1-CE2 4.25Å; M227-Y238 WeakPolarHBondContact CE-OH 3.41Å; P233-Y238 HydrophobicContact CB-CE1 4.32Å; P233-Y238 HydrophobicContact CB-CE2 4.18Å; P233-Y238 WeakPolarHBondContact CB-OH 3.49Å; P233-Y238 WeakPolarHBondContact CG-OH 3.47Å; Y238-V241 HydrophobicContact CD1-CG2 3.72Å; Y238-V241 HydrophobicContact CD2-CG2 4.48Å; Y238-V241 HydrophobicContact CE1-CG2 4.4Å; Y238-V241 HydrophobicContact CG-CG2 3.76Å; Y238-Y268 PolarHBondContact N-O 3.49Å; Y238-F269 HydrophobicContact CD2-CD1 4.35Å; Y238-F269 HydrophobicContact CD2-CE1 4.03Å; Y238-F269 HydrophobicContact CD2-CZ 4.29Å; Y238-F269 HydrophobicContact CG-CE1 4.34Å; Y238-V270 WeakPolarHBondContact O-CG2 3.42Å; Y238-V270 PolarHBondContact O-N 3.03Å; Y238-V270 VanDerWaalsContact O-N 3.09Å; Y238-N276 PolarHBondContact O-ND2 2.84Å; Y238-F295 HydrophobicContact CD1-CZ 4.25Å; Y238-F295 AromaticContact CE1-CE1 3.98Å; Y238-F295 HydrophobicContact CE1-CE1 3.98Å; Y238-F295 AromaticContact CE1-CZ 3.5Å; Y238-F295 HydrophobicContact CE1-CZ 3.5Å; Y238-F295 VanDerWaalsContact CE1-CZ 3.5Å; Y238-F295 AromaticContact CZ-CZ 3.76Å
239	L	92.9	Very high	89.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-57.1	167.6	-59.8	-178.9	0	0	0	108.9	P187 L191 R237 V270 W272 I273 N276 N298 T300	P187-L239 HydrophobicContact CG-CB 4.29Å; P187-L239 HydrophobicContact CG-CD1 4.22Å; L191-L239 HydrophobicContact CD1-CD1 4.1Å; R237-L239 PolarHBondContact O-N 3.22Å; L239-V270 HydrophobicContact CD2-CG1 3.81Å; L239-V270 HydrophobicContact CD2-CG2 4.41Å; L239-W272 HydrophobicContact CD2-CH2 4.15Å; L239-W272 HydrophobicContact CD2-CZ2 3.76Å; L239-I273 HydrophobicContact CB-CD1 4.49Å; L239-N276 WeakPolarHBondContact O-CB 3.44Å; L239-N276 PolarHBondContact O-ND2 3.1Å; L239-N276 VanDerWaalsContact O-ND2 3.11Å; L239-N298 HydrophobicContact CB-CB 4.39Å; L239-N298 PolarHBondContact N-O 3.29Å; L239-T300 HydrophobicContact CD2-CG2 4.15Å; L239-T300 HydrophobicContact CG-CG2 4.3Å
240	T	92.8	Very high	89.7	Confident	5 Å²	5	37.2 Å²	37.2	3%	0.031	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	152.2	-179.4	62.6	0	0	0	0	110.3	N184 M185 I273 N276 N298	N184-T240 WeakPolarHBondContact O-CG2 3.44Å; M185-T240 WeakPolarHBondContact CA-OG1 3.27Å; M185-T240 PolarHBondContact O-OG1 3.18Å; T240-I273 HydrophobicContact CG2-CD1 4.32Å; T240-N276 WeakPolarHBondContact CA-O 3.46Å; T240-N298 PolarHBondContact N-O 3.2Å; T240-N298 PolarHBondContact O-N 3.15Å; T240-N298 WeakPolarHBondContact OG1-CB 3.44Å
241	V	93.1	Very high	89.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	131.5	178.6	174.2	0	0	0	0	109.7	F222 Y238 F269 N276 V277 K278 F295 I296	F222-V241 HydrophobicContact CZ-CG1 4.22Å; Y238-V241 HydrophobicContact CD1-CG2 3.72Å; Y238-V241 HydrophobicContact CD2-CG2 4.48Å; Y238-V241 HydrophobicContact CE1-CG2 4.4Å; Y238-V241 HydrophobicContact CG-CG2 3.76Å; V241-F269 HydrophobicContact CG2-CE1 4.04Å; V241-N276 PolarHBondContact N-O 3.47Å; V241-V277 HydrophobicContact CB-CB 4.46Å; V241-V277 HydrophobicContact CB-CG1 4.22Å; V241-V277 HydrophobicContact CB-CG2 4.15Å; V241-V277 HydrophobicContact CG1-CG1 4.17Å; V241-V277 CarbonylContact O-C 3.59Å; V241-V277 VanDerWaalsContact O-CA 3.31Å; V241-V277 WeakPolarHBondContact O-CA 3.23Å; V241-K278 PolarHBondContact O-N 3.5Å; V241-F295 HydrophobicContact CB-CE2 4.42Å; V241-F295 HydrophobicContact CG1-CD2 3.97Å; V241-F295 HydrophobicContact CG1-CE2 3.32Å; V241-F295 HydrophobicContact CG1-CZ 3.98Å; V241-F295 HydrophobicContact CG2-CE2 4.24Å; V241-F295 HydrophobicContact CG2-CZ 4.17Å; V241-I296 WeakPolarHBondContact CA-O 3.45Å
242	A	90.7	Very high	89.8	Confident	6 Å²	6	45 Å²	45	5%	0.05	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.3	165	0	0	0	0	0	110.5	L181 M185 K278 I296	L181-A242 HydrophobicContact CD1-CB 4.22Å; M185-A242 HydrophobicContact CE-CB 4.15Å; M185-A242 HydrophobicContact CG-CB 4.37Å; M185-A242 HydrophobicContact SD-CB 3.49Å; M185-A242 WeakPolarHBondContact SD-CB 3.37Å; M185-A242 PolarHBondContact SD-N 3.04Å; A242-K278 CarbonylContact C-O 3.55Å; A242-K278 WeakPolarHBondContact CA-O 3.28Å; A242-I296 HydrophobicContact CB-CB 4.26Å; A242-I296 HydrophobicContact CB-CD1 4.43Å; A242-I296 PolarHBondContact N-O 3.27Å; A242-I296 PolarHBondContact O-N 2.82Å
243	A	91	Very high	90	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	112.2	178.5	0	0	0	0	0	109.5	M221 F245 M258 K278 T279 A280 T294	M221-A243 HydrophobicContact CE-CB 3.53Å; A243-F245 HydrophobicContact CB-CD2 4.33Å; A243-F245 HydrophobicContact CB-CE2 3.77Å; A243-M258 HydrophobicContact CB-CE 3.87Å; A243-M258 HydrophobicContact CB-SD 4.31Å; A243-K278 PolarHBondContact N-O 3.04Å; A243-T279 HydrophobicContact CB-CG2 4.41Å; A243-T279 CarbonylContact O-C 3.56Å; A243-T279 WeakPolarHBondContact O-CA 3.39Å; A243-A280 PolarHBondContact O-N 3.39Å; A243-T294 WeakPolarHBondContact CA-O 3.22Å
244	V	90.7	Very high	90.2	Very high	6 Å²	6	46 Å²	46	4%	0.036	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	102.1	179.4	-174.3	0	0	0	0	109.6	T166 R246 A280 A293 T294	T166-V244 HydrophobicContact CG2-CG1 4.45Å; V244-R246 HydrophobicContact CG1-CG 4.49Å; V244-A280 CarbonylContact C-O 3.52Å; V244-A280 WeakPolarHBondContact CA-O 3.46Å; V244-A280 HydrophobicContact CG2-CB 4.42Å; V244-A293 CarbonylContact O-C 3.6Å; V244-A293 WeakPolarHBondContact O-CA 3.23Å; V244-T294 PolarHBondContact N-O 3.06Å; V244-T294 PolarHBondContact O-N 3.27Å
245	F	91.4	Very high	90.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.6	175.4	-70.4	-93	0	0	0	111.4	V214 L217 M221 A243 M249 V254 M258 A280 V281 C282 A293	V214-F245 HydrophobicContact CG1-CE1 4.43Å; L217-F245 HydrophobicContact CB-CE1 4.38Å; M221-F245 HydrophobicContact SD-CE1 4.13Å; M221-F245 HydrophobicContact SD-CE2 4.47Å; M221-F245 HydrophobicContact SD-CZ 3.86Å; A243-F245 HydrophobicContact CB-CD2 4.33Å; A243-F245 HydrophobicContact CB-CE2 3.77Å; F245-M249 HydrophobicContact CB-CE 3.82Å; F245-M249 HydrophobicContact CB-SD 3.54Å; F245-M249 VanDerWaalsContact CB-SD 3.54Å; F245-M249 HydrophobicContact CD1-CE 4.37Å; F245-M249 HydrophobicContact CD1-SD 3.75Å; F245-M249 HydrophobicContact CG-SD 3.94Å; F245-V254 HydrophobicContact CD1-CG2 4.39Å; F245-V254 HydrophobicContact CD2-CG1 3.56Å; F245-V254 HydrophobicContact CE2-CG1 3.48Å; F245-V254 VanDerWaalsContact CE2-CG1 3.48Å; F245-V254 HydrophobicContact CG-CG1 4.15Å; F245-V254 HydrophobicContact CG-CG2 4.33Å; F245-V254 HydrophobicContact CZ-CG1 4.01Å; F245-M258 HydrophobicContact CE2-CG 4.31Å; F245-M258 HydrophobicContact CE2-SD 4.12Å; F245-M258 HydrophobicContact CZ-CG 4.48Å; F245-M258 HydrophobicContact CZ-SD 4.07Å; F245-A280 PolarHBondContact N-O 3.25Å; F245-V281 HydrophobicContact CB-CG2 4.3Å; F245-V281 CarbonylContact O-C 3.52Å; F245-V281 WeakPolarHBondContact O-CA 3.38Å; F245-C282 PolarHBondContact O-N 3.45Å; F245-A293 HydrophobicContact CD1-CB 3.65Å; F245-A293 HydrophobicContact CE1-CB 3.75Å; F245-A293 HydrophobicContact CG-CB 4.24Å; F245-A293 HydrophobicContact CZ-CB 4.41Å
246	R	90.4	Very high	90.3	Very high	10 Å²	10	42.3 Å²	42.3	4%	0.038	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	133.9	-177.7	-60.7	-173.4	65.3	177.5	-9.8	111.4	S162 T166 V244 M249 C282 I284 M291 A292	S162-R246 PolarHBondContact O-NH1 3.24Å; S162-R246 PolarHBondContact OG-NH1 3.2Å; T166-R246 HydrophobicContact CG2-CG 4.02Å; T166-R246 VanDerWaalsContact OG1-CD 3.3Å; T166-R246 WeakPolarHBondContact OG1-CD 3.2Å; T166-R246 PolarHBondContact OG1-NE 2.93Å; T166-R246 PolarHBondContact OG1-NH1 3.03Å; V244-R246 HydrophobicContact CG1-CG 4.49Å; R246-M249 VanDerWaalsContact C-CE 3.5Å; R246-M249 VanDerWaalsContact O-CE 3.31Å; R246-M249 WeakPolarHBondContact O-CE 3.39Å; R246-C282 CarbonylContact C-O 3.5Å; R246-C282 VanDerWaalsContact CA-O 3.29Å; R246-C282 WeakPolarHBondContact CA-O 3.43Å; R246-C282 HydrophobicContact CG-CB 4.37Å; R246-I284 PolarHBondContact NE-O 3.04Å; R246-I284 VanDerWaalsContact NE-O 3.12Å; R246-I284 PolarHBondContact NH2-O 3.43Å; R246-I284 VanDerWaalsContact NH2-O 3.15Å; R246-M291 CarbonylContact O-C 3.57Å; R246-M291 WeakPolarHBondContact O-CA 3.47Å; R246-A292 PolarHBondContact N-O 2.93Å; R246-A292 PolarHBondContact O-N 3.39Å
247	G	89.1	Confident	90.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	111.5	170.3	-177.4	0	0	0	0	0	112.4	M249 C282	G247-M249 WeakPolarHBondContact O-CE 3.22Å; G247-M249 PolarHBondContact O-N 3.34Å; G247-M249 VanDerWaalsContact O-N 3.16Å; G247-C282 PolarHBondContact N-O 2.9Å
248	R	86.5	Confident	90.4	Very high	226 Å²	226	40.8 Å²	40.8	85%	0.853	19%	0.191	S	C	*	.	S	Bend	trans	-73.8	107.8	-178.7	-65.1	-176.4	-175.6	-169.7	-0	110.3
249	M	87.4	Confident	90.2	Very high	29 Å²	29	44.8 Å²	44.8	14%	0.143	21%	0.212	C	C	.	.			trans	-144.9	161.8	178.2	64.5	-169.4	83.2	0	0	111.5	V214 F245 R246 G247 V254 V281 M291	V214-M249 HydrophobicContact CG2-CB 3.9Å; V214-M249 HydrophobicContact CG2-SD 4.11Å; F245-M249 HydrophobicContact CB-CE 3.82Å; F245-M249 HydrophobicContact CB-SD 3.54Å; F245-M249 VanDerWaalsContact CB-SD 3.54Å; F245-M249 HydrophobicContact CD1-CE 4.37Å; F245-M249 HydrophobicContact CD1-SD 3.75Å; F245-M249 HydrophobicContact CG-SD 3.94Å; R246-M249 VanDerWaalsContact C-CE 3.5Å; R246-M249 VanDerWaalsContact O-CE 3.31Å; R246-M249 WeakPolarHBondContact O-CE 3.39Å; G247-M249 WeakPolarHBondContact O-CE 3.22Å; G247-M249 PolarHBondContact O-N 3.34Å; G247-M249 VanDerWaalsContact O-N 3.16Å; M249-V254 HydrophobicContact CG-CG2 3.94Å; M249-V254 HydrophobicContact SD-CG2 3.58Å; M249-V254 VanDerWaalsContact SD-CG2 3.58Å; M249-V281 HydrophobicContact CG-CG1 4.01Å; M249-M291 HydrophobicContact CB-SD 4.43Å; M249-M291 HydrophobicContact CE-CB 4.42Å; M249-M291 HydrophobicContact CE-CG 4.35Å
250	S	88.3	Confident	90.2	Very high	63 Å²	63	47.5 Å²	47.5	44%	0.441	23%	0.226	S	C	.	.			trans	-80.1	122.5	177	-179.8	0	0	0	0	110.1	K252 E253 V254	S250-K252 VanDerWaalsContact C-N 3.25Å; S250-K252 PolarHBondContact O-N 3.28Å; S250-E253 WeakPolarHBondContact O-CB 3.35Å; S250-E253 PolarHBondContact O-N 2.86Å; S250-E253 VanDerWaalsContact O-N 3.09Å; S250-V254 PolarHBondContact O-N 3.02Å; S250-V254 VanDerWaalsContact O-N 3.12Å
251	M	85.7	Confident	90.1	Very high	58 Å²	58	48.1 Å²	48.1	29%	0.286	23%	0.23	S	C	.	.	H	α-helix	trans	-60.2	-39.2	176.9	-63.8	-168.5	-177.1	0	0	112	Q173 E253 V254 D255 V281	Q173-M251 HydrophobicContact CB-CE 4.01Å; Q173-M251 HydrophobicContact CG-CE 3.76Å; Q173-M251 PolarHBondContact OE1-SD 2.95Å; M251-E253 PolarHBondContact O-N 3.02Å; M251-V254 WeakPolarHBondContact O-CB 3.29Å; M251-V254 PolarHBondContact O-N 2.92Å; M251-V254 VanDerWaalsContact O-N 3.09Å; M251-D255 PolarHBondContact O-N 2.96Å; M251-V281 HydrophobicContact CE-CB 4.09Å; M251-V281 HydrophobicContact CE-CG1 4.31Å; M251-V281 HydrophobicContact CG-CG2 4.28Å
252	K	89.3	Confident	89.9	Confident	143 Å²	143	50.1 Å²	50.1	62%	0.622	24%	0.24	S	C	*	.	H	α-helix	trans	-56.3	-41.4	175.5	-178.5	178.8	171.1	179.3	0	111.7	S250 E256	S250-K252 VanDerWaalsContact C-N 3.25Å; S250-K252 PolarHBondContact O-N 3.28Å; K252-E256 WeakPolarHBondContact CE-OE1 3.2Å; K252-E256 IonicContact NZ-OE1 3.23Å; K252-E256 WeakPolarHBondContact O-CB 3.46Å; K252-E256 VanDerWaalsContact O-CG 3.25Å; K252-E256 WeakPolarHBondContact O-CG 3.49Å; K252-E256 PolarHBondContact O-N 2.89Å
253	E	90.9	Very high	89.8	Confident	73 Å²	73	55.2 Å²	55.2	34%	0.341	27%	0.266	S	S	.	.	H	α-helix	trans	-69.1	-40.3	178.7	-170.6	-179.6	-178	0	0	111.2	V214 S250 M251 Q257	V214-E253 HydrophobicContact CB-CG 4.1Å; V214-E253 HydrophobicContact CG1-CG 4.3Å; S250-E253 WeakPolarHBondContact O-CB 3.35Å; S250-E253 PolarHBondContact O-N 2.86Å; S250-E253 VanDerWaalsContact O-N 3.09Å; M251-E253 PolarHBondContact O-N 3.02Å; E253-Q257 WeakPolarHBondContact O-CB 3.26Å; E253-Q257 VanDerWaalsContact O-CG 3.29Å; E253-Q257 WeakPolarHBondContact O-CG 3.34Å; E253-Q257 PolarHBondContact O-N 3.31Å
254	V	90.1	Very high	89.8	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.9	-49.7	175.1	174	0	0	0	0	110.7	V214 F245 M249 S250 M251 Q257 M258 T279 V281	V214-V254 HydrophobicContact CG1-CB 4.39Å; V214-V254 HydrophobicContact CG1-CG2 3.76Å; V214-V254 HydrophobicContact CG2-CG2 4.44Å; F245-V254 HydrophobicContact CD1-CG2 4.39Å; F245-V254 HydrophobicContact CD2-CG1 3.56Å; F245-V254 HydrophobicContact CE2-CG1 3.48Å; F245-V254 VanDerWaalsContact CE2-CG1 3.48Å; F245-V254 HydrophobicContact CG-CG1 4.15Å; F245-V254 HydrophobicContact CG-CG2 4.33Å; F245-V254 HydrophobicContact CZ-CG1 4.01Å; M249-V254 HydrophobicContact CG-CG2 3.94Å; M249-V254 HydrophobicContact SD-CG2 3.58Å; M249-V254 VanDerWaalsContact SD-CG2 3.58Å; S250-V254 PolarHBondContact O-N 3.02Å; S250-V254 VanDerWaalsContact O-N 3.12Å; M251-V254 WeakPolarHBondContact O-CB 3.29Å; M251-V254 PolarHBondContact O-N 2.92Å; M251-V254 VanDerWaalsContact O-N 3.09Å; V254-Q257 PolarHBondContact O-N 2.8Å; V254-M258 HydrophobicContact CG1-CG 4.35Å; V254-M258 WeakPolarHBondContact O-CB 3.46Å; V254-M258 VanDerWaalsContact O-CG 3.24Å; V254-M258 WeakPolarHBondContact O-CG 3.49Å; V254-M258 PolarHBondContact O-N 3.33Å; V254-T279 HydrophobicContact CG1-CG2 4.38Å; V254-V281 HydrophobicContact CG1-CG2 4.43Å; V254-V281 HydrophobicContact CG2-CG2 4.41Å
255	D	88.8	Confident	89.7	Confident	81 Å²	81	64.7 Å²	64.7	43%	0.433	31%	0.309	S	S	.	.	H	α-helix	trans	-65	-42.3	-178.2	-65.6	-25.6	0	0	0	111.6	M251 Q257 M258 L259 T279	M251-D255 PolarHBondContact O-N 2.96Å; D255-Q257 PolarHBondContact O-N 2.92Å; D255-M258 PolarHBondContact O-N 2.66Å; D255-L259 VanDerWaalsContact O-CB 3.31Å; D255-L259 WeakPolarHBondContact O-CB 3.46Å; D255-L259 PolarHBondContact O-N 3.23Å; D255-T279 PolarHBondContact OD1-OG1 3.38Å
256	E	92.1	Very high	89.4	Confident	101 Å²	101	68 Å²	68	47%	0.472	33%	0.333	S	S	.	.	H	α-helix	trans	-60.7	-42.5	174.6	-77.7	175.8	-177	0	0	112.1	K252 N260	K252-E256 WeakPolarHBondContact CE-OE1 3.2Å; K252-E256 IonicContact NZ-OE1 3.23Å; K252-E256 WeakPolarHBondContact O-CB 3.46Å; K252-E256 VanDerWaalsContact O-CG 3.25Å; K252-E256 WeakPolarHBondContact O-CG 3.49Å; K252-E256 PolarHBondContact O-N 2.89Å; E256-N260 VanDerWaalsContact O-CB 3.26Å; E256-N260 WeakPolarHBondContact O-CB 3.44Å; E256-N260 PolarHBondContact O-N 2.78Å
257	Q	92.5	Very high	89.3	Confident	42 Å²	42	70.9 Å²	70.9	20%	0.196	35%	0.354	C	S	.	.	H	α-helix	trans	-69.8	-38.8	178.7	-69.6	-48.3	-52.6	0	0	112.6	V214 P215 T218 E253 V254 D255 N260 V261	V214-Q257 HydrophobicContact CG1-CG 4.24Å; P215-Q257 HydrophobicContact CB-CG 4.19Å; P215-Q257 HydrophobicContact CG-CG 3.91Å; T218-Q257 HydrophobicContact CG2-CB 4.25Å; E253-Q257 WeakPolarHBondContact O-CB 3.26Å; E253-Q257 VanDerWaalsContact O-CG 3.29Å; E253-Q257 WeakPolarHBondContact O-CG 3.34Å; E253-Q257 PolarHBondContact O-N 3.31Å; V254-Q257 PolarHBondContact O-N 2.8Å; D255-Q257 PolarHBondContact O-N 2.92Å; Q257-N260 WeakPolarHBondContact O-CB 3.45Å; Q257-N260 PolarHBondContact O-N 2.99Å; Q257-V261 PolarHBondContact O-N 2.72Å
258	M	90.6	Very high	89.4	Confident	4 Å²	4	74.9 Å²	74.9	2%	0.02	37%	0.37	C	S	.	.	H	α-helix	trans	-68.7	-39.8	178.6	-68.5	-65.5	-56.8	0	0	111.3	T218 F222 A243 F245 V254 D255 V261 Q262 V277 T279	T218-M258 HydrophobicContact CG2-SD 3.64Å; F222-M258 HydrophobicContact CE2-CE 3.83Å; F222-M258 HydrophobicContact CE2-SD 4.1Å; F222-M258 HydrophobicContact CZ-CE 3.91Å; A243-M258 HydrophobicContact CB-CE 3.87Å; A243-M258 HydrophobicContact CB-SD 4.31Å; F245-M258 HydrophobicContact CE2-CG 4.31Å; F245-M258 HydrophobicContact CE2-SD 4.12Å; F245-M258 HydrophobicContact CZ-CG 4.48Å; F245-M258 HydrophobicContact CZ-SD 4.07Å; V254-M258 HydrophobicContact CG1-CG 4.35Å; V254-M258 WeakPolarHBondContact O-CB 3.46Å; V254-M258 VanDerWaalsContact O-CG 3.24Å; V254-M258 WeakPolarHBondContact O-CG 3.49Å; V254-M258 PolarHBondContact O-N 3.33Å; D255-M258 PolarHBondContact O-N 2.66Å; M258-V261 PolarHBondContact O-N 2.88Å; M258-Q262 WeakPolarHBondContact O-CG 3.08Å; M258-Q262 PolarHBondContact O-N 3.15Å; M258-Q262 VanDerWaalsContact O-N 3.07Å; M258-V277 HydrophobicContact CE-CG1 3.32Å; M258-T279 HydrophobicContact CB-CG2 4.05Å; M258-T279 HydrophobicContact CE-CG2 4.18Å; M258-T279 HydrophobicContact CG-CG2 3.59Å; M258-T279 HydrophobicContact SD-CG2 4.47Å
259	L	90.3	Very high	89.6	Confident	93 Å²	93	64.8 Å²	64.8	49%	0.487	33%	0.332	S	S	.	.	H	α-helix	trans	-64.3	-40.1	172.5	-175.1	64.3	0	0	0	111.8	D255 V261 Q262 N263	D255-L259 VanDerWaalsContact O-CB 3.31Å; D255-L259 WeakPolarHBondContact O-CB 3.46Å; D255-L259 PolarHBondContact O-N 3.23Å; L259-V261 VanDerWaalsContact C-N 3.34Å; L259-V261 PolarHBondContact O-N 3.47Å; L259-Q262 PolarHBondContact O-N 3.27Å; L259-N263 WeakPolarHBondContact O-CB 3.22Å; L259-N263 VanDerWaalsContact O-CG 3.3Å; L259-N263 PolarHBondContact O-N 3.39Å; L259-N263 PolarHBondContact O-ND2 2.88Å
260	N	92.6	Very high	89.7	Confident	56 Å²	56	63.7 Å²	63.7	30%	0.299	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-40.5	176.4	-173.7	24.3	0	0	0	112.2	E256 Q257 K264	E256-N260 VanDerWaalsContact O-CB 3.26Å; E256-N260 WeakPolarHBondContact O-CB 3.44Å; E256-N260 PolarHBondContact O-N 2.78Å; Q257-N260 WeakPolarHBondContact O-CB 3.45Å; Q257-N260 PolarHBondContact O-N 2.99Å; N260-K264 PolarHBondContact ND2-NZ 3.14Å; N260-K264 WeakPolarHBondContact O-CB 3.47Å; N260-K264 VanDerWaalsContact O-CG 3.31Å; N260-K264 WeakPolarHBondContact O-CG 3.31Å; N260-K264 PolarHBondContact O-N 3.44Å; N260-K264 WeakPolarHBondContact OD1-CE 3.3Å; N260-K264 PolarHBondContact OD1-NZ 3.05Å
261	V	90.6	Very high	89.5	Confident	18 Å²	18	67.5 Å²	67.5	11%	0.109	34%	0.338	C	S	.	.	H	α-helix	trans	-66.1	-45.7	175.2	172.2	0	0	0	0	111	T218 F222 Q257 M258 L259 N263 K264 N265	T218-V261 HydrophobicContact CG2-CG2 3.69Å; F222-V261 HydrophobicContact CD1-CG1 4.24Å; F222-V261 HydrophobicContact CD2-CG1 3.78Å; F222-V261 HydrophobicContact CD2-CG2 4.47Å; F222-V261 HydrophobicContact CE1-CG1 4.3Å; F222-V261 HydrophobicContact CE2-CB 4.43Å; F222-V261 HydrophobicContact CE2-CG1 3.85Å; F222-V261 HydrophobicContact CG-CG1 3.98Å; F222-V261 HydrophobicContact CZ-CG1 4.11Å; Q257-V261 PolarHBondContact O-N 2.72Å; M258-V261 PolarHBondContact O-N 2.88Å; L259-V261 VanDerWaalsContact C-N 3.34Å; L259-V261 PolarHBondContact O-N 3.47Å; V261-N263 VanDerWaalsContact C-N 3.34Å; V261-N263 PolarHBondContact O-N 3.03Å; V261-K264 PolarHBondContact O-N 3.44Å; V261-N265 VanDerWaalsContact O-CB 3.26Å; V261-N265 WeakPolarHBondContact O-CB 3.25Å; V261-N265 PolarHBondContact O-N 3.01Å
262	Q	88.5	Confident	89.6	Confident	43 Å²	43	68.6 Å²	68.6	20%	0.201	34%	0.339	C	S	.	.	H	α-helix	trans	-57.3	-47	176.7	-73.8	171.1	40.8	0	0	111.8	M258 L259 K264 N265 S266 F269 V277	M258-Q262 WeakPolarHBondContact O-CG 3.08Å; M258-Q262 PolarHBondContact O-N 3.15Å; M258-Q262 VanDerWaalsContact O-N 3.07Å; L259-Q262 PolarHBondContact O-N 3.27Å; Q262-K264 PolarHBondContact O-N 3.12Å; Q262-N265 CarbonylContact O-C 3.57Å; Q262-N265 PolarHBondContact O-N 2.82Å; Q262-S266 WeakPolarHBondContact O-CA 3.36Å; Q262-S266 PolarHBondContact O-N 3.32Å; Q262-F269 HydrophobicContact CG-CE1 4.42Å; Q262-F269 HydrophobicContact CG-CE2 4.23Å; Q262-F269 HydrophobicContact CG-CZ 4.13Å; Q262-V277 HydrophobicContact CG-CG2 3.81Å; Q262-V277 VanDerWaalsContact NE2-CG2 3.26Å
263	N	89.4	Confident	89.3	Confident	112 Å²	112	63.4 Å²	63.4	60%	0.599	32%	0.317	S	S	*	.	H	α-helix	trans	-66.2	-36.7	-179.3	-71.5	-21	0	0	0	113.1	L259 V261	L259-N263 WeakPolarHBondContact O-CB 3.22Å; L259-N263 VanDerWaalsContact O-CG 3.3Å; L259-N263 PolarHBondContact O-N 3.39Å; L259-N263 PolarHBondContact O-ND2 2.88Å; V261-N263 VanDerWaalsContact C-N 3.34Å; V261-N263 PolarHBondContact O-N 3.03Å
264	K	90.1	Very high	88.9	Confident	147 Å²	147	64.8 Å²	64.8	64%	0.639	33%	0.333	S	S	*	.	H	α-helix	trans	-72	-32.3	177.8	-77.7	174.5	175.5	167.5	0	112.9	N260 V261 Q262	N260-K264 PolarHBondContact ND2-NZ 3.14Å; N260-K264 WeakPolarHBondContact O-CB 3.47Å; N260-K264 VanDerWaalsContact O-CG 3.31Å; N260-K264 WeakPolarHBondContact O-CG 3.31Å; N260-K264 PolarHBondContact O-N 3.44Å; N260-K264 WeakPolarHBondContact OD1-CE 3.3Å; N260-K264 PolarHBondContact OD1-NZ 3.05Å; V261-K264 PolarHBondContact O-N 3.44Å; Q262-K264 PolarHBondContact O-N 3.12Å
265	N	88.2	Confident	88.5	Confident	60 Å²	60	70.8 Å²	70.8	32%	0.321	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	27.6	-169.5	-68.7	-10.5	0	0	0	111.3	V261 Q262 S267 Y268 F269	V261-N265 VanDerWaalsContact O-CB 3.26Å; V261-N265 WeakPolarHBondContact O-CB 3.25Å; V261-N265 PolarHBondContact O-N 3.01Å; Q262-N265 CarbonylContact O-C 3.57Å; Q262-N265 PolarHBondContact O-N 2.82Å; N265-S267 PolarHBondContact O-N 3.05Å; N265-S267 VanDerWaalsContact O-N 3.1Å; N265-Y268 HydrophobicContact CB-CD2 3.82Å; N265-Y268 WeakPolarHBondContact O-CB 3.37Å; N265-Y268 PolarHBondContact O-N 3.2Å; N265-F269 HydrophobicContact CB-CE2 4.09Å; N265-F269 VanDerWaalsContact O-CD2 3.3Å; N265-F269 WeakPolarHBondContact O-CD2 3.34Å
266	S	86.5	Confident	88.4	Confident	70 Å²	70	67.5 Å²	67.5	49%	0.49	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-56.1	-34.3	-169.6	60.3	0	0	0	0	112.9	Q262 Y268 F269	Q262-S266 WeakPolarHBondContact O-CA 3.36Å; Q262-S266 PolarHBondContact O-N 3.32Å; S266-Y268 PolarHBondContact O-N 3.44Å; S266-F269 PolarHBondContact O-N 2.73Å; S266-F269 VanDerWaalsContact O-N 3.07Å; S266-F269 VanDerWaalsContact O-O 3.09Å
267	S	88.4	Confident	88.2	Confident	70 Å²	70	63.4 Å²	63.4	49%	0.49	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-63.1	-19.6	176.2	62.2	0	0	0	0	114.9	N265	N265-S267 PolarHBondContact O-N 3.05Å; N265-S267 VanDerWaalsContact O-N 3.1Å
268	Y	90	Very high	88	Confident	84 Å²	84	65.1 Å²	65.1	33%	0.329	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-93.4	-2.8	178.1	-61.2	-64.5	0	0	0	112.5	R234 R237 Y238 N265 S266	R234-Y268 HydrophobicContact CB-CE1 4.03Å; R234-Y268 HydrophobicContact CG-CE1 4.47Å; R234-Y268 WeakPolarHBondContact O-CE1 3.38Å; R237-Y268 CarbonylContact C-O 3.49Å; R237-Y268 VanDerWaalsContact CA-O 3.29Å; R237-Y268 WeakPolarHBondContact CA-O 3.19Å; Y238-Y268 PolarHBondContact N-O 3.49Å; N265-Y268 HydrophobicContact CB-CD2 3.82Å; N265-Y268 WeakPolarHBondContact O-CB 3.37Å; N265-Y268 PolarHBondContact O-N 3.2Å; S266-Y268 PolarHBondContact O-N 3.44Å
269	F	90.9	Very high	87.9	Confident	14 Å²	14	66.4 Å²	66.4	6%	0.061	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-108.4	142.2	172.3	-65.3	-88.6	0	0	0	108.4	F222 Y238 V241 Q262 N265 S266 V277	F222-F269 HydrophobicContact CE1-CE1 4.26Å; F222-F269 AromaticContact CE1-CZ 3.75Å; F222-F269 HydrophobicContact CE1-CZ 3.75Å; F222-F269 HydrophobicContact CZ-CZ 4.21Å; Y238-F269 HydrophobicContact CD2-CD1 4.35Å; Y238-F269 HydrophobicContact CD2-CE1 4.03Å; Y238-F269 HydrophobicContact CD2-CZ 4.29Å; Y238-F269 HydrophobicContact CG-CE1 4.34Å; V241-F269 HydrophobicContact CG2-CE1 4.04Å; Q262-F269 HydrophobicContact CG-CE1 4.42Å; Q262-F269 HydrophobicContact CG-CE2 4.23Å; Q262-F269 HydrophobicContact CG-CZ 4.13Å; N265-F269 HydrophobicContact CB-CE2 4.09Å; N265-F269 VanDerWaalsContact O-CD2 3.3Å; N265-F269 WeakPolarHBondContact O-CD2 3.34Å; S266-F269 PolarHBondContact O-N 2.73Å; S266-F269 VanDerWaalsContact O-N 3.07Å; S266-F269 VanDerWaalsContact O-O 3.09Å; F269-V277 HydrophobicContact CD1-CG2 4.08Å; F269-V277 HydrophobicContact CE1-CG2 3.66Å; F269-V277 HydrophobicContact CZ-CG2 4.45Å
270	V	89.9	Confident	87.7	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.03	33%	0.326	C	S	.	.			trans	-68.2	135.6	174.2	-64.5	0	0	0	0	110.8	R237 Y238 L239 W272 I273	R237-V270 HydrophobicContact CB-CG1 3.92Å; Y238-V270 WeakPolarHBondContact O-CG2 3.42Å; Y238-V270 PolarHBondContact O-N 3.03Å; Y238-V270 VanDerWaalsContact O-N 3.09Å; L239-V270 HydrophobicContact CD2-CG1 3.81Å; L239-V270 HydrophobicContact CD2-CG2 4.41Å; V270-W272 HydrophobicContact CB-CD2 4.49Å; V270-W272 HydrophobicContact CB-CZ2 4.21Å; V270-W272 HydrophobicContact CG1-CZ2 4.19Å; V270-W272 HydrophobicContact CG2-CD2 4.48Å; V270-W272 HydrophobicContact CG2-CZ2 4.11Å; V270-I273 HydrophobicContact CG2-CB 3.9Å; V270-I273 HydrophobicContact CG2-CD1 3.94Å; V270-I273 HydrophobicContact CG2-CG1 3.76Å
271	E	85	Confident	87.5	Confident	143 Å²	143	60.7 Å²	60.7	67%	0.668	32%	0.317	S	S	*	.	S	Bend	trans	-80.1	-28.2	-175.7	-62.7	-179.3	169.5	0	0	112.6	I273 A358	E271-I273 VanDerWaalsContact C-N 3.35Å; E271-I273 PolarHBondContact O-N 3.43Å; E271-A358 HydrophobicContact CB-CB 4.46Å
272	W	85.9	Confident	87.4	Confident	81 Å²	81	60.2 Å²	60.2	31%	0.307	31%	0.314	S	S	.	.	S	Bend	trans	-79.4	-12.5	-176	54.5	-97.4	0	0	0	113.9	F188 L239 V270 P274 Y353	F188-W272 AromaticContact CE2-CH2 3.49Å; F188-W272 HydrophobicContact CE2-CH2 3.49Å; F188-W272 VanDerWaalsContact CE2-CH2 3.49Å; F188-W272 HydrophobicContact CE2-CZ2 4.35Å; F188-W272 HydrophobicContact CE2-CZ3 4.06Å; F188-W272 AromaticContact CZ-CH2 3.93Å; F188-W272 HydrophobicContact CZ-CH2 3.93Å; F188-W272 HydrophobicContact CZ-CZ3 4.06Å; L239-W272 HydrophobicContact CD2-CH2 4.15Å; L239-W272 HydrophobicContact CD2-CZ2 3.76Å; V270-W272 HydrophobicContact CB-CD2 4.49Å; V270-W272 HydrophobicContact CB-CZ2 4.21Å; V270-W272 HydrophobicContact CG1-CZ2 4.19Å; V270-W272 HydrophobicContact CG2-CD2 4.48Å; V270-W272 HydrophobicContact CG2-CZ2 4.11Å; W272-P274 VanDerWaalsContact O-CD 3.26Å; W272-P274 WeakPolarHBondContact O-CD 3.35Å; W272-Y353 HydrophobicContact CZ2-CD1 4.2Å
273	I	84.6	Confident	87.3	Confident	34 Å²	34	62.8 Å²	62.8	17%	0.174	33%	0.329	C	S	.	.	S	Bend	trans	-101.7	98.1	166.9	-53	-176.4	0	0	0	109	P187 L239 T240 V270 E271 N276	P187-I273 HydrophobicContact CB-CD1 3.98Å; P187-I273 HydrophobicContact CG-CD1 4.15Å; L239-I273 HydrophobicContact CB-CD1 4.49Å; T240-I273 HydrophobicContact CG2-CD1 4.32Å; V270-I273 HydrophobicContact CG2-CB 3.9Å; V270-I273 HydrophobicContact CG2-CD1 3.94Å; V270-I273 HydrophobicContact CG2-CG1 3.76Å; E271-I273 VanDerWaalsContact C-N 3.35Å; E271-I273 PolarHBondContact O-N 3.43Å; I273-N276 HydrophobicContact CB-CB 4.08Å; I273-N276 HydrophobicContact CG2-CB 3.71Å
274	P	81.3	Confident	87.3	Confident	102 Å²	102	61.1 Å²	61.1	66%	0.662	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	141.8	175.1	27.8	-33.9	0	0	0	110.7	W272 N276	W272-P274 VanDerWaalsContact O-CD 3.26Å; W272-P274 WeakPolarHBondContact O-CD 3.35Å; P274-N276 VanDerWaalsContact C-N 3.34Å; P274-N276 PolarHBondContact O-N 2.97Å
275	N	82	Confident	87.2	Confident	126 Å²	126	56.7 Å²	56.7	67%	0.674	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	45.2	176.2	-57.8	-43.9	0	0	0	114.1	V277 K278	N275-V277 PolarHBondContact O-N 3.03Å; N275-K278 PolarHBondContact O-NZ 3.39Å
276	N	86.6	Confident	87.3	Confident	12 Å²	12	54.9 Å²	54.9	6%	0.064	30%	0.297	C	S	.	.			trans	-73.5	-5.1	-177	66	-13.2	0	0	0	115.5	Y238 L239 T240 V241 I273 P274	Y238-N276 PolarHBondContact O-ND2 2.84Å; L239-N276 WeakPolarHBondContact O-CB 3.44Å; L239-N276 PolarHBondContact O-ND2 3.1Å; L239-N276 VanDerWaalsContact O-ND2 3.11Å; T240-N276 WeakPolarHBondContact CA-O 3.46Å; V241-N276 PolarHBondContact N-O 3.47Å; I273-N276 HydrophobicContact CB-CB 4.08Å; I273-N276 HydrophobicContact CG2-CB 3.71Å; P274-N276 VanDerWaalsContact C-N 3.34Å; P274-N276 PolarHBondContact O-N 2.97Å
277	V	88.9	Confident	87.2	Confident	16 Å²	16	63.6 Å²	63.6	10%	0.097	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.9	177.2	-174.8	0	0	0	0	110.3	V241 M258 Q262 F269 N275	V241-V277 HydrophobicContact CB-CB 4.46Å; V241-V277 HydrophobicContact CB-CG1 4.22Å; V241-V277 HydrophobicContact CB-CG2 4.15Å; V241-V277 HydrophobicContact CG1-CG1 4.17Å; V241-V277 CarbonylContact O-C 3.59Å; V241-V277 VanDerWaalsContact O-CA 3.31Å; V241-V277 WeakPolarHBondContact O-CA 3.23Å; M258-V277 HydrophobicContact CE-CG1 3.32Å; Q262-V277 HydrophobicContact CG-CG2 3.81Å; Q262-V277 VanDerWaalsContact NE2-CG2 3.26Å; F269-V277 HydrophobicContact CD1-CG2 4.08Å; F269-V277 HydrophobicContact CE1-CG2 3.66Å; F269-V277 HydrophobicContact CZ-CG2 4.45Å; N275-V277 PolarHBondContact O-N 3.03Å
278	K	88.2	Confident	87	Confident	77 Å²	77	63.3 Å²	63.3	34%	0.335	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.8	174.7	-57.5	-52.8	-176.4	-151.7	0	110.6	N184 V241 A242 A243 N275	N184-K278 HydrophobicContact CB-CG 4.29Å; N184-K278 WeakPolarHBondContact OD1-CE 3.44Å; V241-K278 PolarHBondContact O-N 3.5Å; A242-K278 CarbonylContact C-O 3.55Å; A242-K278 WeakPolarHBondContact CA-O 3.28Å; A243-K278 PolarHBondContact N-O 3.04Å; N275-K278 PolarHBondContact O-NZ 3.39Å
279	T	88.1	Confident	86.7	Confident	32 Å²	32	61 Å²	61	20%	0.196	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.6	178	51.7	0	0	0	0	109.4	A243 V254 D255 M258	A243-T279 HydrophobicContact CB-CG2 4.41Å; A243-T279 CarbonylContact O-C 3.56Å; A243-T279 WeakPolarHBondContact O-CA 3.39Å; V254-T279 HydrophobicContact CG1-CG2 4.38Å; D255-T279 PolarHBondContact OD1-OG1 3.38Å; M258-T279 HydrophobicContact CB-CG2 4.05Å; M258-T279 HydrophobicContact CE-CG2 4.18Å; M258-T279 HydrophobicContact CG-CG2 3.59Å; M258-T279 HydrophobicContact SD-CG2 4.47Å
280	A	87.1	Confident	86.6	Confident	13 Å²	13	69 Å²	69	11%	0.107	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	139.2	171.9	0	0	0	0	0	109	L174 A243 V244 F245	L174-A280 HydrophobicContact CD2-CB 4.4Å; A243-A280 PolarHBondContact O-N 3.39Å; V244-A280 CarbonylContact C-O 3.52Å; V244-A280 WeakPolarHBondContact CA-O 3.46Å; V244-A280 HydrophobicContact CG2-CB 4.42Å; F245-A280 PolarHBondContact N-O 3.25Å
281	V	87.8	Confident	86.6	Confident	16 Å²	16	70.2 Å²	70.2	10%	0.097	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.1	178.7	-175.8	0	0	0	0	109.2	F245 M249 M251 V254	F245-V281 HydrophobicContact CB-CG2 4.3Å; F245-V281 CarbonylContact O-C 3.52Å; F245-V281 WeakPolarHBondContact O-CA 3.38Å; M249-V281 HydrophobicContact CG-CG1 4.01Å; M251-V281 HydrophobicContact CE-CB 4.09Å; M251-V281 HydrophobicContact CE-CG1 4.31Å; M251-V281 HydrophobicContact CG-CG2 4.28Å; V254-V281 HydrophobicContact CG1-CG2 4.43Å; V254-V281 HydrophobicContact CG2-CG2 4.41Å
282	C	88.6	Confident	86.9	Confident	7 Å²	7	63.4 Å²	63.4	5%	0.047	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.6	174.7	-179.2	0	0	0	0	109.9	T166 F245 R246 G247 I284	T166-C282 HydrophobicContact CG2-CB 3.7Å; F245-C282 PolarHBondContact O-N 3.45Å; R246-C282 CarbonylContact C-O 3.5Å; R246-C282 VanDerWaalsContact CA-O 3.29Å; R246-C282 WeakPolarHBondContact CA-O 3.43Å; R246-C282 HydrophobicContact CG-CB 4.37Å; G247-C282 PolarHBondContact N-O 2.9Å; C282-I284 PolarHBondContact O-N 2.84Å
283	D	86.9	Confident	87.2	Confident	98 Å²	98	59.5 Å²	59.5	52%	0.524	32%	0.315	S	S	.	.	S	Bend	trans	-69	-17.3	-177.9	-69.2	-31.2	0	0	0	113.7	P285	D283-P285 VanDerWaalsContact O-CD 3.25Å; D283-P285 WeakPolarHBondContact O-CD 3.48Å
284	I	88.4	Confident	87.6	Confident	77 Å²	77	57.9 Å²	57.9	40%	0.395	31%	0.306	S	S	.	.			trans	-93.2	106.3	-174.1	-60.2	170.1	0	0	0	110.2	F170 R246 C282	F170-I284 HydrophobicContact CB-CD1 4.35Å; F170-I284 HydrophobicContact CD1-CD1 3.3Å; F170-I284 HydrophobicContact CD1-CG1 4.46Å; F170-I284 HydrophobicContact CE1-CD1 3.67Å; F170-I284 HydrophobicContact CE1-CG2 4.15Å; F170-I284 HydrophobicContact CE2-CG2 4.43Å; F170-I284 HydrophobicContact CG-CD1 3.93Å; F170-I284 HydrophobicContact CZ-CG2 4.06Å; R246-I284 PolarHBondContact NE-O 3.04Å; R246-I284 VanDerWaalsContact NE-O 3.12Å; R246-I284 PolarHBondContact NH2-O 3.43Å; R246-I284 VanDerWaalsContact NH2-O 3.15Å; C282-I284 PolarHBondContact O-N 2.84Å
285	P	88.9	Confident	88.1	Confident	53 Å²	53	53 Å²	53	34%	0.344	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-72.9	159.7	-179.9	33	-36.3	0	0	0	111.8	D283 L289 K290	D283-P285 VanDerWaalsContact O-CD 3.25Å; D283-P285 WeakPolarHBondContact O-CD 3.48Å; P285-L289 WeakPolarHBondContact CB-O 3.34Å; P285-K290 WeakPolarHBondContact CB-O 3.48Å
286	P	88.3	Confident	88.7	Confident	23 Å²	23	47.1 Å²	47.1	15%	0.149	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-71.8	160.7	172.8	27.9	-29.8	0	0	0	111.9	G288 L289 A292	P286-G288 PolarHBondContact O-N 2.81Å; P286-L289 HydrophobicContact CG-CB 4.16Å; P286-L289 HydrophobicContact CG-CD1 4.14Å; P286-L289 PolarHBondContact O-N 3.19Å; P286-L289 VanDerWaalsContact O-O 3.14Å; P286-A292 HydrophobicContact CG-CB 3.5Å; P286-A292 VanDerWaalsContact CG-CB 3.5Å
287	R	85.9	Confident	89	Confident	252 Å²	252	46.5 Å²	46.5	95%	0.951	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	126.7	-177.8	-175.4	-179.9	176.9	-173.2	-0.8	110.9	L289	R287-L289 VanDerWaalsContact C-N 3.34Å
288	G	82.9	Confident	89.2	Confident	65 Å²	65	45.8 Å²	45.8	67%	0.67	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.4	-0.1	175.6	0	0	0	0	0	115.2	Q207 P286	Q207-G288 PolarHBondContact NE2-O 3.28Å; Q207-G288 VanDerWaalsContact NE2-O 3.1Å; P286-G288 PolarHBondContact O-N 2.81Å
289	L	85.2	Confident	89.5	Confident	35 Å²	35	42.1 Å²	42.1	18%	0.183	22%	0.219	C	C	.	.			trans	-126.7	149	176.7	-64.3	169.1	0	0	0	110.1	F198 P200 P285 P286 R287 A292	F198-L289 HydrophobicContact CE1-CD1 4.31Å; F198-L289 HydrophobicContact CZ-CD1 4.09Å; P200-L289 HydrophobicContact CG-CD1 4.4Å; P200-L289 HydrophobicContact CG-CD2 4.12Å; P285-L289 WeakPolarHBondContact CB-O 3.34Å; P286-L289 HydrophobicContact CG-CB 4.16Å; P286-L289 HydrophobicContact CG-CD1 4.14Å; P286-L289 PolarHBondContact O-N 3.19Å; P286-L289 VanDerWaalsContact O-O 3.14Å; R287-L289 VanDerWaalsContact C-N 3.34Å; L289-A292 HydrophobicContact CD1-CB 4.33Å
290	K	87.4	Confident	89.8	Confident	183 Å²	183	40.6 Å²	40.6	80%	0.796	21%	0.21	S	C	*	.	S	Bend	trans	-84.8	-34.7	173.5	-66.7	-173.1	-179.8	178.9	0	112.1	P285	P285-K290 WeakPolarHBondContact CB-O 3.48Å
291	M	89.9	Confident	90.1	Very high	29 Å²	29	40 Å²	40	14%	0.143	21%	0.205	C	C	.	.			trans	-142.6	146.2	178	-61.5	-177.3	-61.1	0	0	109.2	L212 L217 R246 M249	L212-M291 HydrophobicContact CB-CE 4.18Å; L212-M291 WeakPolarHBondContact O-CE 3.24Å; L217-M291 HydrophobicContact CD1-CB 3.83Å; R246-M291 CarbonylContact O-C 3.57Å; R246-M291 WeakPolarHBondContact O-CA 3.47Å; M249-M291 HydrophobicContact CB-SD 4.43Å; M249-M291 HydrophobicContact CE-CB 4.42Å; M249-M291 HydrophobicContact CE-CG 4.35Å
292	A	91.4	Very high	90.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	161.4	172.7	0	0	0	0	0	109.4	F198 A199 R246 P286 L289	F198-A292 HydrophobicContact CE2-CB 4.17Å; F198-A292 HydrophobicContact CZ-CB 3.93Å; A199-A292 CarbonylContact O-C 3.51Å; A199-A292 WeakPolarHBondContact O-CA 3.25Å; R246-A292 PolarHBondContact N-O 2.93Å; R246-A292 PolarHBondContact O-N 3.39Å; P286-A292 HydrophobicContact CG-CB 3.5Å; P286-A292 VanDerWaalsContact CG-CB 3.5Å; L289-A292 HydrophobicContact CD1-CB 4.33Å
293	A	92.1	Very high	90.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	134.7	174.6	0	0	0	0	0	109.4	A199 L217 M221 V244 F245	A199-A293 PolarHBondContact N-O 3.36Å; A199-A293 PolarHBondContact O-N 3.43Å; A199-A293 VanDerWaalsContact O-O 3.09Å; L217-A293 HydrophobicContact CB-CB 4.32Å; M221-A293 HydrophobicContact CE-CB 4.15Å; M221-A293 HydrophobicContact CG-CB 3.99Å; M221-A293 HydrophobicContact SD-CB 3.21Å; M221-A293 WeakPolarHBondContact SD-CB 3.3Å; V244-A293 CarbonylContact O-C 3.6Å; V244-A293 WeakPolarHBondContact O-CA 3.23Å; F245-A293 HydrophobicContact CD1-CB 3.65Å; F245-A293 HydrophobicContact CE1-CB 3.75Å; F245-A293 HydrophobicContact CG-CB 4.24Å; F245-A293 HydrophobicContact CZ-CB 4.41Å
294	T	92.8	Very high	90.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.8	177.3	-51.5	0	0	0	0	108.1	G163 V164 M221 A243 V244	G163-T294 WeakPolarHBondContact CA-OG1 3.41Å; V164-T294 HydrophobicContact CG2-CG2 4.11Å; M221-T294 WeakPolarHBondContact CE-O 3.32Å; A243-T294 WeakPolarHBondContact CA-O 3.22Å; V244-T294 PolarHBondContact N-O 3.06Å; V244-T294 PolarHBondContact O-N 3.27Å
295	F	93.4	Very high	90.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.1	179.1	-178.9	-97.9	0	0	0	108.8	P196 G197 M221 F222 M227 Y238 V241	P196-F295 CarbonylContact C-O 3.52Å; P196-F295 WeakPolarHBondContact CA-O 3.3Å; G197-F295 PolarHBondContact N-O 2.88Å; G197-F295 PolarHBondContact O-N 3.45Å; M221-F295 HydrophobicContact CB-CB 4.28Å; M221-F295 HydrophobicContact CB-CD2 4.32Å; M221-F295 HydrophobicContact CE-CB 3.76Å; M221-F295 HydrophobicContact CE-CD2 3.97Å; M221-F295 HydrophobicContact CE-CG 4.39Å; M221-F295 HydrophobicContact CG-CB 4.44Å; F222-F295 HydrophobicContact CD1-CE2 4.08Å; F222-F295 HydrophobicContact CD1-CZ 4.5Å; F222-F295 AromaticContact CE1-CE2 3.68Å; F222-F295 HydrophobicContact CE1-CE2 3.68Å; F222-F295 HydrophobicContact CE1-CZ 4.26Å; F222-F295 HydrophobicContact CE2-CE2 4.49Å; F222-F295 AromaticContact CZ-CE2 3.91Å; F222-F295 HydrophobicContact CZ-CE2 3.91Å; M227-F295 HydrophobicContact CE-CD1 3.71Å; M227-F295 HydrophobicContact CE-CE1 3.48Å; M227-F295 VanDerWaalsContact CE-CE1 3.48Å; M227-F295 HydrophobicContact CE-CG 4.43Å; M227-F295 HydrophobicContact CE-CZ 4.05Å; M227-F295 HydrophobicContact SD-CD1 3.73Å; M227-F295 HydrophobicContact SD-CE1 3.81Å; Y238-F295 HydrophobicContact CD1-CZ 4.25Å; Y238-F295 AromaticContact CE1-CE1 3.98Å; Y238-F295 HydrophobicContact CE1-CE1 3.98Å; Y238-F295 AromaticContact CE1-CZ 3.5Å; Y238-F295 HydrophobicContact CE1-CZ 3.5Å; Y238-F295 VanDerWaalsContact CE1-CZ 3.5Å; Y238-F295 AromaticContact CZ-CZ 3.76Å; V241-F295 HydrophobicContact CB-CE2 4.42Å; V241-F295 HydrophobicContact CG1-CD2 3.97Å; V241-F295 HydrophobicContact CG1-CE2 3.32Å; V241-F295 HydrophobicContact CG1-CZ 3.98Å; V241-F295 HydrophobicContact CG2-CE2 4.24Å; V241-F295 HydrophobicContact CG2-CZ 4.17Å
296	I	93.2	Very high	91	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	108.7	169.7	-50	166.1	0	0	0	105.1	Y128 V164 M185 F194 V241 A242	Y128-I296 HydrophobicContact CD1-CG2 4.32Å; Y128-I296 HydrophobicContact CE1-CD1 4.08Å; Y128-I296 HydrophobicContact CE1-CG1 4.22Å; Y128-I296 HydrophobicContact CE1-CG2 3.7Å; V164-I296 HydrophobicContact CB-CD1 4.32Å; V164-I296 HydrophobicContact CG1-CD1 4.03Å; V164-I296 HydrophobicContact CG2-CD1 3.89Å; V164-I296 HydrophobicContact CG2-CG1 4.01Å; M185-I296 HydrophobicContact CE-CB 4.31Å; M185-I296 HydrophobicContact CE-CG2 3.95Å; M185-I296 VanDerWaalsContact CE-O 3.26Å; M185-I296 WeakPolarHBondContact CE-O 3.31Å; F194-I296 HydrophobicContact CB-CG2 3.72Å; F194-I296 HydrophobicContact CD1-CG2 4.5Å; F194-I296 HydrophobicContact CD2-CG2 3.82Å; F194-I296 HydrophobicContact CG-CG2 3.77Å; V241-I296 WeakPolarHBondContact CA-O 3.45Å; A242-I296 HydrophobicContact CB-CB 4.26Å; A242-I296 HydrophobicContact CB-CD1 4.43Å; A242-I296 PolarHBondContact N-O 3.27Å; A242-I296 PolarHBondContact O-N 2.82Å
297	G	93	Very high	91.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.3	178.9	0	0	0	0	0	110.8	F194 M195	F194-G297 WeakPolarHBondContact CA-O 3.37Å; M195-G297 PolarHBondContact N-O 3.01Å; M195-G297 PolarHBondContact O-N 3.3Å
298	N	94.5	Very high	91.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	103.2	159.8	-165.9	-12.7	0	0	0	107.3	M185 L191 F194 L239 T240	M185-N298 HydrophobicContact CE-CB 4.48Å; M185-N298 PolarHBondContact O-ND2 2.95Å; L191-N298 PolarHBondContact O-ND2 2.98Å; F194-N298 HydrophobicContact CD1-CB 3.88Å; F194-N298 HydrophobicContact CE1-CB 4.01Å; L239-N298 HydrophobicContact CB-CB 4.39Å; L239-N298 PolarHBondContact N-O 3.29Å; T240-N298 PolarHBondContact N-O 3.2Å; T240-N298 PolarHBondContact O-N 3.15Å; T240-N298 WeakPolarHBondContact OG1-CB 3.44Å
299	S	94	Very high	91.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.5	-175.2	-178.7	0	0	0	0	110.2	R237 A301 I302	R237-S299 WeakPolarHBondContact O-CA 3.4Å; R237-S299 PolarHBondContact O-OG 2.98Å; S299-A301 PolarHBondContact O-N 3.45Å; S299-A301 VanDerWaalsContact O-N 3.16Å; S299-A301 WeakPolarHBondContact OG-CB 3.47Å; S299-A301 PolarHBondContact OG-N 3.01Å; S299-I302 VanDerWaalsContact O-CG2 3.26Å; S299-I302 WeakPolarHBondContact O-CG2 3.42Å; S299-I302 PolarHBondContact O-N 3.5Å
300	T	94.2	Very high	92.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-63.5	-18.4	173.5	66	0	0	0	0	112.4	G236 R237 L239 I302 Q303 Y350 Q354	G236-T300 VanDerWaalsContact CA-OG1 3.31Å; G236-T300 WeakPolarHBondContact CA-OG1 3.29Å; R237-T300 PolarHBondContact N-OG1 3.31Å; R237-T300 PolarHBondContact O-N 3.21Å; R237-T300 PolarHBondContact O-OG1 3.43Å; L239-T300 HydrophobicContact CD2-CG2 4.15Å; L239-T300 HydrophobicContact CG-CG2 4.3Å; T300-I302 PolarHBondContact O-N 3.44Å; T300-I302 VanDerWaalsContact O-N 3.17Å; T300-Q303 WeakPolarHBondContact O-CB 3.32Å; T300-Q303 WeakPolarHBondContact O-CG 3.45Å; T300-Q303 PolarHBondContact O-N 2.53Å; T300-Y350 HydrophobicContact CG2-CD1 4.37Å; T300-Y350 WeakPolarHBondContact CG2-O 3.32Å; T300-Q354 HydrophobicContact CG2-CB 3.99Å; T300-Q354 PolarHBondContact OG1-OE1 3.45Å
301	A	93.7	Very high	92.3	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.008	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-62.1	-19.4	175.5	0	0	0	0	0	113.4	M195 C231 D232 S299 Q303 E304	M195-A301 HydrophobicContact SD-CB 4.49Å; C231-A301 HydrophobicContact CB-CB 4.36Å; C231-A301 WeakPolarHBondContact CB-O 3.48Å; D232-A301 WeakPolarHBondContact O-CB 3.5Å; S299-A301 PolarHBondContact O-N 3.45Å; S299-A301 VanDerWaalsContact O-N 3.16Å; S299-A301 WeakPolarHBondContact OG-CB 3.47Å; S299-A301 PolarHBondContact OG-N 3.01Å; A301-Q303 PolarHBondContact O-N 2.89Å; A301-E304 PolarHBondContact O-N 2.82Å
302	I	93.5	Very high	92.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-58.4	-21.1	175.7	-162.7	71.2	0	0	0	112.3	C129 F193 M195 A229 S299 T300 E304 L305 F306 Y350	C129-I302 HydrophobicContact CB-CD1 4Å; F193-I302 HydrophobicContact CB-CG1 4.35Å; M195-I302 HydrophobicContact CG-CB 4.36Å; M195-I302 HydrophobicContact CG-CD1 3.56Å; M195-I302 HydrophobicContact CG-CG1 4.46Å; M195-I302 HydrophobicContact SD-CB 4.44Å; M195-I302 HydrophobicContact SD-CD1 4.37Å; A229-I302 HydrophobicContact CB-CD1 4.21Å; S299-I302 VanDerWaalsContact O-CG2 3.26Å; S299-I302 WeakPolarHBondContact O-CG2 3.42Å; S299-I302 PolarHBondContact O-N 3.5Å; T300-I302 PolarHBondContact O-N 3.44Å; T300-I302 VanDerWaalsContact O-N 3.17Å; I302-E304 PolarHBondContact O-N 3.29Å; I302-E304 VanDerWaalsContact O-N 3.12Å; I302-L305 HydrophobicContact CD1-CB 4.42Å; I302-L305 HydrophobicContact CD1-CD1 4.37Å; I302-L305 WeakPolarHBondContact O-CB 3.37Å; I302-L305 PolarHBondContact O-N 2.85Å; I302-F306 HydrophobicContact CG1-CD2 4.45Å; I302-F306 HydrophobicContact CG1-CE2 3.9Å; I302-F306 HydrophobicContact CG2-CD2 4.43Å; I302-F306 HydrophobicContact CG2-CE2 4.05Å; I302-F306 PolarHBondContact O-N 3.01Å; I302-Y350 HydrophobicContact CG2-CD1 4.1Å; I302-Y350 HydrophobicContact CG2-CD2 4.03Å; I302-Y350 HydrophobicContact CG2-CE1 3.65Å; I302-Y350 HydrophobicContact CG2-CE2 3.59Å; I302-Y350 HydrophobicContact CG2-CG 4.27Å
303	Q	92.1	Very high	92.3	Very high	8 Å²	8	20.5 Å²	20.5	4%	0.037	9%	0.094	C	C	.	.	H	α-helix	trans	-55.3	-28.2	173.8	73.6	172.9	-65.2	0	0	113.3	T300 A301 L305 F306 K307 V347 Q351	T300-Q303 WeakPolarHBondContact O-CB 3.32Å; T300-Q303 WeakPolarHBondContact O-CG 3.45Å; T300-Q303 PolarHBondContact O-N 2.53Å; A301-Q303 PolarHBondContact O-N 2.89Å; Q303-L305 VanDerWaalsContact C-N 3.3Å; Q303-L305 PolarHBondContact O-N 2.94Å; Q303-F306 PolarHBondContact O-N 2.82Å; Q303-K307 WeakPolarHBondContact O-CB 3.16Å; Q303-K307 VanDerWaalsContact O-CG 3.28Å; Q303-K307 WeakPolarHBondContact O-CG 3.32Å; Q303-K307 PolarHBondContact O-N 2.95Å; Q303-K307 VanDerWaalsContact OE1-CE 3.28Å; Q303-V347 HydrophobicContact CB-CG1 4.41Å; Q303-Q351 VanDerWaalsContact NE2-OE1 3.08Å; Q303-Q351 VanDerWaalsContact OE1-OE1 3.06Å
304	E	91.3	Very high	92.4	Very high	67 Å²	67	21.7 Å²	21.7	31%	0.313	10%	0.102	S	C	.	.	H	α-helix	trans	-62.6	-38.7	176.4	-66.5	-172.7	151.7	0	0	111.6	C231 D232 H235 A301 I302 R308	C231-E304 WeakPolarHBondContact CA-OE2 3.46Å; C231-E304 HydrophobicContact CB-CB 4.28Å; D232-E304 PolarHBondContact N-OE2 3.36Å; D232-E304 VanDerWaalsContact N-OE2 3.14Å; H235-E304 IonicContact CE1-OE1 3.78Å; H235-E304 IonicContact CG-OE1 2.76Å; H235-E304 IonicContact ND1-OE1 3.49Å; H235-E304 PolarHBondContact ND1-OE1 3.27Å; A301-E304 PolarHBondContact O-N 2.82Å; I302-E304 PolarHBondContact O-N 3.29Å; I302-E304 VanDerWaalsContact O-N 3.12Å; E304-R308 WeakPolarHBondContact O-CB 3.26Å; E304-R308 PolarHBondContact O-N 2.87Å
305	L	90.9	Very high	92.3	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-65.1	-44.3	177.2	179.2	146.1	0	0	0	110.8	V98 D131 A229 I302 Q303 R308 I309	V98-L305 HydrophobicContact CB-CD1 4.3Å; V98-L305 HydrophobicContact CG1-CD1 4.13Å; V98-L305 HydrophobicContact CG1-CD2 3.98Å; V98-L305 HydrophobicContact CG1-CG 4.11Å; V98-L305 HydrophobicContact CG2-CD1 4.07Å; V98-L305 HydrophobicContact CG2-CD2 4.06Å; D131-L305 HydrophobicContact CB-CD1 4.2Å; A229-L305 HydrophobicContact CB-CD1 4.44Å; I302-L305 HydrophobicContact CD1-CB 4.42Å; I302-L305 HydrophobicContact CD1-CD1 4.37Å; I302-L305 WeakPolarHBondContact O-CB 3.37Å; I302-L305 PolarHBondContact O-N 2.85Å; Q303-L305 VanDerWaalsContact C-N 3.3Å; Q303-L305 PolarHBondContact O-N 2.94Å; L305-R308 PolarHBondContact O-N 3.32Å; L305-I309 HydrophobicContact CD2-CD1 3.83Å; L305-I309 WeakPolarHBondContact O-CG1 3.07Å; L305-I309 PolarHBondContact O-N 3.43Å
306	F	92.2	Very high	92.2	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.009	13%	0.13	C	C	.	.	H	α-helix	trans	-69.3	-41.3	177.9	-65.3	-56.6	0	0	0	112.4	V117 F193 I302 Q303 R308 I309 S310 M343 L346 V347 Y350	V117-F306 HydrophobicContact CG1-CD1 4.28Å; V117-F306 HydrophobicContact CG1-CE1 3.78Å; V117-F306 HydrophobicContact CG2-CE1 4.08Å; F193-F306 HydrophobicContact CB-CE2 4.29Å; F193-F306 HydrophobicContact CB-CZ 4.12Å; F193-F306 AromaticContact CD1-CZ 3.73Å; F193-F306 HydrophobicContact CD1-CZ 3.73Å; F193-F306 HydrophobicContact CD2-CE2 4.18Å; F193-F306 AromaticContact CD2-CZ 3.87Å; F193-F306 HydrophobicContact CD2-CZ 3.87Å; F193-F306 HydrophobicContact CE1-CZ 4.08Å; F193-F306 HydrophobicContact CE2-CZ 4.23Å; F193-F306 HydrophobicContact CG-CE2 4.12Å; F193-F306 AromaticContact CG-CZ 3.61Å; F193-F306 HydrophobicContact CG-CZ 3.61Å; F193-F306 HydrophobicContact CZ-CZ 4.33Å; I302-F306 HydrophobicContact CG1-CD2 4.45Å; I302-F306 HydrophobicContact CG1-CE2 3.9Å; I302-F306 HydrophobicContact CG2-CD2 4.43Å; I302-F306 HydrophobicContact CG2-CE2 4.05Å; I302-F306 PolarHBondContact O-N 3.01Å; Q303-F306 PolarHBondContact O-N 2.82Å; F306-R308 VanDerWaalsContact C-N 3.32Å; F306-R308 PolarHBondContact O-N 3.01Å; F306-I309 PolarHBondContact O-N 2.7Å; F306-S310 WeakPolarHBondContact O-CB 3.35Å; F306-S310 PolarHBondContact O-N 3.27Å; F306-M343 HydrophobicContact CB-SD 3.85Å; F306-M343 HydrophobicContact CD1-CE 4.28Å; F306-M343 HydrophobicContact CD1-SD 3.42Å; F306-M343 WeakPolarHBondContact CD1-SD 3.39Å; F306-M343 HydrophobicContact CE1-SD 4.23Å; F306-M343 HydrophobicContact CG-SD 3.89Å; F306-L346 HydrophobicContact CD2-CD2 4.2Å; F306-L346 HydrophobicContact CE1-CD2 4.34Å; F306-L346 HydrophobicContact CE2-CD2 3.9Å; F306-L346 HydrophobicContact CZ-CD2 3.97Å; F306-V347 HydrophobicContact CB-CG2 3.56Å; F306-Y350 HydrophobicContact CD2-CE2 4.44Å; F306-Y350 HydrophobicContact CE2-CE2 4.03Å
307	K	92.1	Very high	92.2	Very high	83 Å²	83	27.1 Å²	27.1	36%	0.361	14%	0.136	S	C	.	.	H	α-helix	trans	-57.1	-44.7	173.6	-78.1	174.6	174.9	170.4	0	111.4	Q303 I309 S310 E311 V347	Q303-K307 WeakPolarHBondContact O-CB 3.16Å; Q303-K307 VanDerWaalsContact O-CG 3.28Å; Q303-K307 WeakPolarHBondContact O-CG 3.32Å; Q303-K307 PolarHBondContact O-N 2.95Å; Q303-K307 VanDerWaalsContact OE1-CE 3.28Å; K307-I309 PolarHBondContact O-N 3.25Å; K307-S310 PolarHBondContact O-N 3.4Å; K307-E311 WeakPolarHBondContact O-CB 3.29Å; K307-E311 WeakPolarHBondContact O-CG 3.33Å; K307-E311 PolarHBondContact O-N 3.48Å; K307-V347 HydrophobicContact CD-CG1 4.23Å; K307-V347 HydrophobicContact CG-CG1 3.85Å; K307-V347 HydrophobicContact CG-CG2 4.37Å
308	R	90.3	Very high	92.2	Very high	44 Å²	44	37 Å²	37	17%	0.166	17%	0.173	C	C	.	.	H	α-helix	trans	-60.6	-43	177.3	-175.3	-175.1	63	-155.6	-14.1	112.5	D131 E133 E304 L305 F306 Q312	D131-R308 IonicContact OD1-NH2 3.74Å; D131-R308 IonicContact OD2-CZ 3.96Å; D131-R308 VanDerWaalsContact OD2-CZ 3.32Å; D131-R308 IonicContact OD2-NH1 3.56Å; D131-R308 PolarHBondContact OD2-NH1 3.45Å; D131-R308 IonicContact OD2-NH2 3.83Å; D131-R308 PolarHBondContact OD2-NH2 3.3Å; E133-R308 IonicContact OE2-CZ 3.63Å; E133-R308 IonicContact OE2-NH1 3.43Å; E133-R308 PolarHBondContact OE2-NH1 2.79Å; E304-R308 WeakPolarHBondContact O-CB 3.26Å; E304-R308 PolarHBondContact O-N 2.87Å; L305-R308 PolarHBondContact O-N 3.32Å; F306-R308 VanDerWaalsContact C-N 3.32Å; F306-R308 PolarHBondContact O-N 3.01Å; R308-Q312 WeakPolarHBondContact O-CG 3.47Å; R308-Q312 PolarHBondContact O-N 3.32Å
309	I	90.1	Very high	92.1	Very high	3 Å²	3	47 Å²	47	2%	0.015	21%	0.211	C	C	.	.	H	α-helix	trans	-67.8	-45.2	177.4	-62.7	166.2	0	0	0	110.1	V98 A113 L305 F306 K307 Q312 F313	V98-I309 HydrophobicContact CG1-CD1 3.62Å; V98-I309 HydrophobicContact CG1-CG1 4.39Å; A113-I309 HydrophobicContact CB-CG2 3.96Å; L305-I309 HydrophobicContact CD2-CD1 3.83Å; L305-I309 WeakPolarHBondContact O-CG1 3.07Å; L305-I309 PolarHBondContact O-N 3.43Å; F306-I309 PolarHBondContact O-N 2.7Å; K307-I309 PolarHBondContact O-N 3.25Å; I309-Q312 PolarHBondContact O-N 2.66Å; I309-F313 WeakPolarHBondContact O-CB 3.28Å; I309-F313 PolarHBondContact O-N 3.04Å
310	S	91.9	Very high	91.9	Very high	12 Å²	12	52.5 Å²	52.5	8%	0.084	24%	0.235	C	C	.	.	H	α-helix	trans	-59.3	-47.3	179.1	-174.8	0	0	0	0	111.5	F306 K307 Q312 F313 T314 N344	F306-S310 WeakPolarHBondContact O-CB 3.35Å; F306-S310 PolarHBondContact O-N 3.27Å; K307-S310 PolarHBondContact O-N 3.4Å; S310-Q312 VanDerWaalsContact C-N 3.33Å; S310-Q312 PolarHBondContact O-N 3.11Å; S310-F313 WeakPolarHBondContact O-CB 3.38Å; S310-F313 PolarHBondContact O-N 2.99Å; S310-T314 WeakPolarHBondContact O-CB 3.26Å; S310-T314 PolarHBondContact O-N 3.23Å; S310-T314 PolarHBondContact O-OG1 3.24Å; S310-N344 PolarHBondContact OG-OD1 3.09Å
311	E	91.6	Very high	91.7	Very high	141 Å²	141	54 Å²	54	66%	0.659	25%	0.247	S	C	*	.	H	α-helix	trans	-58.4	-42.8	177.2	-76.3	177.7	-174.5	0	0	112.9	K307 A315	K307-E311 WeakPolarHBondContact O-CB 3.29Å; K307-E311 WeakPolarHBondContact O-CG 3.33Å; K307-E311 PolarHBondContact O-N 3.48Å; E311-A315 WeakPolarHBondContact O-CB 3.33Å; E311-A315 PolarHBondContact O-N 3.22Å
312	Q	90	Very high	91.6	Very high	68 Å²	68	57.6 Å²	57.6	32%	0.318	26%	0.263	S	S	.	.	H	α-helix	trans	-68.8	-41.1	177.6	-69	177.4	8.6	0	0	111.7	P110 R308 I309 S310 A315 M316	P110-Q312 HydrophobicContact CB-CB 3.93Å; P110-Q312 HydrophobicContact CG-CB 3.7Å; R308-Q312 WeakPolarHBondContact O-CG 3.47Å; R308-Q312 PolarHBondContact O-N 3.32Å; I309-Q312 PolarHBondContact O-N 2.66Å; S310-Q312 VanDerWaalsContact C-N 3.33Å; S310-Q312 PolarHBondContact O-N 3.11Å; Q312-A315 PolarHBondContact O-N 3.36Å; Q312-M316 PolarHBondContact O-N 3.36Å
313	F	92.5	Very high	91.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.5	-55	174.1	176.4	-81.9	0	0	0	110.7	P110 Y111 T114 I309 S310 A315 M316 F317 F336 E340	P110-F313 HydrophobicContact CB-CB 4.31Å; Y111-F313 AromaticContact CD1-CD2 3.58Å; Y111-F313 HydrophobicContact CD1-CD2 3.58Å; Y111-F313 AromaticContact CD1-CE2 3.43Å; Y111-F313 HydrophobicContact CD1-CE2 3.43Å; Y111-F313 VanDerWaalsContact CD1-CE2 3.43Å; Y111-F313 HydrophobicContact CD1-CZ 4.21Å; Y111-F313 HydrophobicContact CE1-CD2 4.14Å; Y111-F313 AromaticContact CE1-CE2 3.98Å; Y111-F313 HydrophobicContact CE1-CE2 3.98Å; Y111-F313 HydrophobicContact CE1-CZ 4.35Å; Y111-F313 HydrophobicContact CG-CD2 4.5Å; T114-F313 HydrophobicContact CG2-CD2 3.85Å; T114-F313 HydrophobicContact CG2-CE2 3.79Å; T114-F313 HydrophobicContact CG2-CG 4.3Å; T114-F313 HydrophobicContact CG2-CZ 4.28Å; T114-F313 VanDerWaalsContact OG1-CD2 3.29Å; T114-F313 WeakPolarHBondContact OG1-CD2 3.1Å; I309-F313 WeakPolarHBondContact O-CB 3.28Å; I309-F313 PolarHBondContact O-N 3.04Å; S310-F313 WeakPolarHBondContact O-CB 3.38Å; S310-F313 PolarHBondContact O-N 2.99Å; F313-A315 VanDerWaalsContact C-N 3.28Å; F313-A315 PolarHBondContact O-N 3.48Å; F313-M316 PolarHBondContact O-N 2.98Å; F313-F317 HydrophobicContact CD1-CB 4.24Å; F313-F317 HydrophobicContact CE1-CB 3.93Å; F313-F317 HydrophobicContact CE1-CD1 4.16Å; F313-F317 HydrophobicContact CE1-CG 4.03Å; F313-F317 HydrophobicContact CZ-CB 4.49Å; F313-F317 HydrophobicContact CZ-CG 4.38Å; F313-F317 WeakPolarHBondContact O-CB 3.48Å; F313-F317 PolarHBondContact O-N 2.84Å; F313-F336 AromaticContact CE2-CD1 3.91Å; F313-F336 HydrophobicContact CE2-CD1 3.91Å; F313-F336 HydrophobicContact CZ-CB 4.1Å; F313-F336 AromaticContact CZ-CD1 3.9Å; F313-F336 HydrophobicContact CZ-CD1 3.9Å; F313-F336 WeakPolarHBondContact CZ-O 3.44Å; F313-E340 HydrophobicContact CD1-CB 4.21Å; F313-E340 HydrophobicContact CD1-CG 4.01Å; F313-E340 HydrophobicContact CE1-CB 3.62Å; F313-E340 HydrophobicContact CE1-CG 3.83Å; F313-E340 HydrophobicContact CZ-CB 4.21Å
314	T	93.3	Very high	91.4	Very high	25 Å²	25	63.4 Å²	63.4	15%	0.153	29%	0.29	C	S	.	.	H	α-helix	trans	-59.3	-40.1	-179	-55.8	0	0	0	0	111.2	S310 M316 F317 R318 E340	S310-T314 WeakPolarHBondContact O-CB 3.26Å; S310-T314 PolarHBondContact O-N 3.23Å; S310-T314 PolarHBondContact O-OG1 3.24Å; T314-M316 VanDerWaalsContact C-N 3.3Å; T314-M316 PolarHBondContact O-N 2.98Å; T314-F317 PolarHBondContact O-N 3.4Å; T314-R318 HydrophobicContact CG2-CG 4.17Å; T314-R318 VanDerWaalsContact CG2-NE 3.32Å; T314-R318 WeakPolarHBondContact O-CB 3.37Å; T314-R318 VanDerWaalsContact O-CG 3.24Å; T314-R318 WeakPolarHBondContact O-CG 3.37Å; T314-R318 PolarHBondContact O-N 2.93Å; T314-E340 WeakPolarHBondContact CB-OE1 3.43Å; T314-E340 PolarHBondContact OG1-OE1 3.44Å
315	A	91.5	Very high	91.4	Very high	53 Å²	53	65.9 Å²	65.9	44%	0.438	30%	0.296	S	S	.	.	H	α-helix	trans	-61.7	-37	177.9	0	0	0	0	0	112.8	E311 Q312 F313	E311-A315 WeakPolarHBondContact O-CB 3.33Å; E311-A315 PolarHBondContact O-N 3.22Å; Q312-A315 PolarHBondContact O-N 3.36Å; F313-A315 VanDerWaalsContact C-N 3.28Å; F313-A315 PolarHBondContact O-N 3.48Å
316	M	90.9	Very high	91.5	Very high	30 Å²	30	65.9 Å²	65.9	15%	0.148	30%	0.296	C	S	.	.	H	α-helix	trans	-78.4	-44.6	175.6	-70.4	-149	-66	0	0	112.7	V107 P110 Y111 Q312 F313 T314 R318 R319 K320 A321	V107-M316 WeakPolarHBondContact O-CE 3.39Å; P110-M316 HydrophobicContact CB-CE 3.99Å; P110-M316 HydrophobicContact CG-CE 3.9Å; Y111-M316 HydrophobicContact CD2-CE 3.55Å; Y111-M316 HydrophobicContact CE1-CB 4.44Å; Y111-M316 HydrophobicContact CE2-CB 4.02Å; Y111-M316 HydrophobicContact CE2-CE 3.62Å; Y111-M316 HydrophobicContact CE2-SD 4.23Å; Y111-M316 HydrophobicContact CG-CE 4.15Å; Y111-M316 PolarHBondContact OH-O 2.96Å; Q312-M316 PolarHBondContact O-N 3.36Å; F313-M316 PolarHBondContact O-N 2.98Å; T314-M316 VanDerWaalsContact C-N 3.3Å; T314-M316 PolarHBondContact O-N 2.98Å; M316-R318 PolarHBondContact O-N 3.43Å; M316-R319 CarbonylContact O-C 3.55Å; M316-R319 PolarHBondContact O-N 3.45Å; M316-K320 PolarHBondContact O-N 3.04Å; M316-A321 PolarHBondContact O-N 3.25Å
317	F	92.6	Very high	91.5	Very high	32 Å²	32	68.5 Å²	68.5	14%	0.14	31%	0.312	C	S	.	.	H	α-helix	trans	-64.9	-39.5	-175.6	-170.4	-122.9	0	0	0	111.8	Y111 F313 T314 R319 K320 L323 F336	Y111-F317 HydrophobicContact CE1-CB 4.04Å; Y111-F317 HydrophobicContact CE1-CD2 4.12Å; Y111-F317 VanDerWaalsContact OH-CA 3.32Å; Y111-F317 WeakPolarHBondContact OH-CA 3.26Å; Y111-F317 PolarHBondContact OH-N 2.71Å; F313-F317 HydrophobicContact CD1-CB 4.24Å; F313-F317 HydrophobicContact CE1-CB 3.93Å; F313-F317 HydrophobicContact CE1-CD1 4.16Å; F313-F317 HydrophobicContact CE1-CG 4.03Å; F313-F317 HydrophobicContact CZ-CB 4.49Å; F313-F317 HydrophobicContact CZ-CG 4.38Å; F313-F317 WeakPolarHBondContact O-CB 3.48Å; F313-F317 PolarHBondContact O-N 2.84Å; T314-F317 PolarHBondContact O-N 3.4Å; F317-R319 PolarHBondContact O-N 3.01Å; F317-R319 VanDerWaalsContact O-N 3.11Å; F317-K320 WeakPolarHBondContact O-CA 3.46Å; F317-K320 PolarHBondContact O-N 2.88Å; F317-L323 HydrophobicContact CD2-CD1 4.35Å; F317-L323 HydrophobicContact CE2-CD1 4.11Å; F317-L323 HydrophobicContact CE2-CD2 4.28Å; F317-F336 HydrophobicContact CD2-CB 4.25Å; F317-F336 HydrophobicContact CE2-CB 3.6Å; F317-F336 HydrophobicContact CE2-CD1 4.5Å; F317-F336 HydrophobicContact CE2-CG 4.05Å; F317-F336 HydrophobicContact CZ-CB 3.81Å
318	R	92.2	Very high	91.5	Very high	207 Å²	207	67.4 Å²	67.4	78%	0.781	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.8	173	-77.3	179.9	-174.8	176.2	7.5	113.6	T314 M316	T314-R318 HydrophobicContact CG2-CG 4.17Å; T314-R318 VanDerWaalsContact CG2-NE 3.32Å; T314-R318 WeakPolarHBondContact O-CB 3.37Å; T314-R318 VanDerWaalsContact O-CG 3.24Å; T314-R318 WeakPolarHBondContact O-CG 3.37Å; T314-R318 PolarHBondContact O-N 2.93Å; M316-R318 PolarHBondContact O-N 3.43Å
319	R	92.8	Very high	91.5	Very high	209 Å²	209	67.8 Å²	67.8	79%	0.789	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-2.2	177.9	-62.5	178.9	-177.2	175	3.1	112.7	M316 F317 A321	M316-R319 CarbonylContact O-C 3.55Å; M316-R319 PolarHBondContact O-N 3.45Å; F317-R319 PolarHBondContact O-N 3.01Å; F317-R319 VanDerWaalsContact O-N 3.11Å; R319-A321 PolarHBondContact O-N 2.91Å; R319-A321 VanDerWaalsContact O-N 3.11Å
320	K	90.9	Very high	91.5	Very high	116 Å²	116	70.8 Å²	70.8	50%	0.504	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	33	-171.5	-59.4	-166.5	166.5	-149.8	0	112.8	M316 F317 L323 E333	M316-K320 PolarHBondContact O-N 3.04Å; F317-K320 WeakPolarHBondContact O-CA 3.46Å; F317-K320 PolarHBondContact O-N 2.88Å; K320-L323 HydrophobicContact CB-CD2 4.21Å; K320-L323 HydrophobicContact CD-CD2 4.34Å; K320-L323 HydrophobicContact CG-CD2 4.26Å; K320-E333 IonicContact NZ-OE1 2.89Å; K320-E333 PolarHBondContact NZ-OE1 3.35Å; K320-E333 IonicContact NZ-OE2 2.66Å; K320-E333 PolarHBondContact NZ-OE2 3.17Å
321	A	89.4	Confident	91.5	Very high	31 Å²	31	70.5 Å²	70.5	26%	0.256	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	134.7	-178.6	0	0	0	0	0	109.7	Y111 M316 R319 L323	Y111-A321 VanDerWaalsContact CE2-O 3.25Å; Y111-A321 WeakPolarHBondContact CE2-O 3.5Å; Y111-A321 PolarHBondContact OH-O 2.98Å; M316-A321 PolarHBondContact O-N 3.25Å; R319-A321 PolarHBondContact O-N 2.91Å; R319-A321 VanDerWaalsContact O-N 3.11Å; A321-L323 PolarHBondContact O-N 3.27Å
322	F	91.3	Very high	91.5	Very high	78 Å²	78	68.4 Å²	68.4	34%	0.342	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	7.6	178.4	-54.9	-77.7	0	0	0	116.6	V107 V108 H324 W325	V107-F322 HydrophobicContact CG2-CD2 4.08Å; V107-F322 HydrophobicContact CG2-CE2 3.53Å; V107-F322 HydrophobicContact CG2-CZ 3.83Å; V108-F322 HydrophobicContact CG1-CB 3.81Å; V108-F322 HydrophobicContact CG1-CD2 4.13Å; V108-F322 HydrophobicContact CG1-CG 3.9Å; F322-H324 VanDerWaalsContact C-N 3.3Å; F322-H324 PolarHBondContact O-N 3.07Å; F322-W325 HydrophobicContact CD1-CH2 4.47Å; F322-W325 HydrophobicContact CD1-CZ2 4.26Å; F322-W325 WeakPolarHBondContact O-CB 3.41Å; F322-W325 PolarHBondContact O-N 3.45Å; F322-W325 VanDerWaalsContact O-N 3.14Å
323	L	91.3	Very high	91.5	Very high	6 Å²	6	68.6 Å²	68.6	3%	0.031	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-35.3	-175.9	-164.5	63.4	0	0	0	113.1	F317 K320 A321 W325 Y326 T327 E333 F336	F317-L323 HydrophobicContact CD2-CD1 4.35Å; F317-L323 HydrophobicContact CE2-CD1 4.11Å; F317-L323 HydrophobicContact CE2-CD2 4.28Å; K320-L323 HydrophobicContact CB-CD2 4.21Å; K320-L323 HydrophobicContact CD-CD2 4.34Å; K320-L323 HydrophobicContact CG-CD2 4.26Å; A321-L323 PolarHBondContact O-N 3.27Å; L323-W325 PolarHBondContact O-N 3.06Å; L323-W325 VanDerWaalsContact O-N 3.08Å; L323-Y326 PolarHBondContact O-N 2.79Å; L323-T327 HydrophobicContact CG-CG2 4.29Å; L323-T327 PolarHBondContact O-N 3.34Å; L323-T327 VanDerWaalsContact O-N 3.07Å; L323-T327 PolarHBondContact O-OG1 3.01Å; L323-E333 HydrophobicContact CD2-CG 3.8Å; L323-E333 VanDerWaalsContact CD2-OE1 3.25Å; L323-E333 WeakPolarHBondContact CD2-OE1 3.49Å; L323-F336 HydrophobicContact CD1-CD1 4.28Å; L323-F336 HydrophobicContact CD1-CD2 3.87Å; L323-F336 HydrophobicContact CD1-CE1 4.11Å; L323-F336 HydrophobicContact CD1-CE2 3.67Å; L323-F336 HydrophobicContact CD1-CG 4.17Å; L323-F336 HydrophobicContact CD1-CZ 3.81Å
324	H	90.9	Very high	91.5	Very high	124 Å²	124	74.2 Å²	74.2	57%	0.574	38%	0.379	S	S	*	.	H	α-helix	trans	-58.8	-20.2	177.2	69.8	-72.1	0	0	0	114.6	F322 Y326 T327 G328	F322-H324 VanDerWaalsContact C-N 3.3Å; F322-H324 PolarHBondContact O-N 3.07Å; H324-Y326 VanDerWaalsContact C-N 3.33Å; H324-T327 WeakPolarHBondContact CA-OG1 3.43Å; H324-G328 PolarHBondContact O-N 3.26Å; H324-G328 VanDerWaalsContact O-N 3.13Å
325	W	91.2	Very high	91.5	Very high	119 Å²	119	75.3 Å²	75.3	45%	0.451	38%	0.383	S	S	.	.	H	α-helix	trans	-73.3	-28.9	174.6	-68.7	8.9	0	0	0	111.9	N28 F322 L323 E329	N28-W325 PolarHBondContact ND2-O 3.35Å; F322-W325 HydrophobicContact CD1-CH2 4.47Å; F322-W325 HydrophobicContact CD1-CZ2 4.26Å; F322-W325 WeakPolarHBondContact O-CB 3.41Å; F322-W325 PolarHBondContact O-N 3.45Å; F322-W325 VanDerWaalsContact O-N 3.14Å; L323-W325 PolarHBondContact O-N 3.06Å; L323-W325 VanDerWaalsContact O-N 3.08Å; W325-E329 WeakPolarHBondContact O-CG 3.35Å
326	Y	93.6	Very high	91.6	Very high	1 Å²	1	72.8 Å²	72.8	0%	0.004	36%	0.362	C	S	.	.	H	α-helix	trans	-89.9	-45.3	-179.8	-61.5	-98	0	0	0	110.7	N28 W29 A30 Y111 N112 L115 L323 H324 G328 E329 M331 F336	N28-Y326 WeakPolarHBondContact OD1-CD1 2.83Å; W29-Y326 HydrophobicContact CB-CE1 4.09Å; A30-Y326 HydrophobicContact CB-CD1 3.96Å; Y111-Y326 WeakPolarHBondContact CB-OH 3.32Å; Y111-Y326 HydrophobicContact CD2-CE2 4.09Å; Y111-Y326 HydrophobicContact CG-CE2 4.45Å; N112-Y326 PolarHBondContact OD1-OH 3.15Å; L115-Y326 HydrophobicContact CD1-CD1 4.42Å; L115-Y326 HydrophobicContact CD1-CE1 4.38Å; L323-Y326 PolarHBondContact O-N 2.79Å; H324-Y326 VanDerWaalsContact C-N 3.33Å; Y326-G328 VanDerWaalsContact C-N 3.25Å; Y326-G328 PolarHBondContact O-N 2.92Å; Y326-E329 PolarHBondContact O-N 3.27Å; Y326-M331 HydrophobicContact CD1-SD 4.33Å; Y326-M331 WeakPolarHBondContact O-CB 3.27Å; Y326-M331 PolarHBondContact O-N 2.82Å; Y326-F336 AromaticContact CD1-CZ 3.79Å; Y326-F336 HydrophobicContact CD1-CZ 3.79Å; Y326-F336 HydrophobicContact CD2-CZ 4.01Å; Y326-F336 HydrophobicContact CE1-CZ 4.48Å; Y326-F336 HydrophobicContact CG-CE1 4.42Å; Y326-F336 HydrophobicContact CG-CE2 4.36Å; Y326-F336 AromaticContact CG-CZ 3.53Å; Y326-F336 HydrophobicContact CG-CZ 3.53Å
327	T	92.1	Very high	91.7	Very high	56 Å²	56	74.7 Å²	74.7	34%	0.344	38%	0.375	S	S	.	.	H	α-helix	trans	-67.9	-27.6	178.3	59.4	0	0	0	0	112.6	L323 H324 E329 G330 M331 E333	L323-T327 HydrophobicContact CG-CG2 4.29Å; L323-T327 PolarHBondContact O-N 3.34Å; L323-T327 VanDerWaalsContact O-N 3.07Å; L323-T327 PolarHBondContact O-OG1 3.01Å; H324-T327 WeakPolarHBondContact CA-OG1 3.43Å; T327-E329 PolarHBondContact O-N 2.86Å; T327-G330 PolarHBondContact O-N 2.52Å; T327-G330 VanDerWaalsContact O-N 3.17Å; T327-M331 VanDerWaalsContact CA-O 3.3Å; T327-M331 WeakPolarHBondContact CA-O 3.11Å; T327-M331 WeakPolarHBondContact CG2-O 3.38Å; T327-E333 HydrophobicContact CG2-CG 4.24Å
328	G	91.2	Very high	91.8	Very high	60 Å²	60	78 Å²	78	62%	0.619	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-20	171.5	0	0	0	0	0	114.2	H324 Y326	H324-G328 PolarHBondContact O-N 3.26Å; H324-G328 VanDerWaalsContact O-N 3.13Å; Y326-G328 VanDerWaalsContact C-N 3.25Å; Y326-G328 PolarHBondContact O-N 2.92Å
329	E	91.1	Very high	91.8	Very high	53 Å²	53	68.1 Å²	68.1	25%	0.248	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	7.7	178	-56	-66.9	144.5	0	0	112.3	A30 K31 T35 W325 Y326 T327	A30-E329 HydrophobicContact CB-CB 3.9Å; A30-E329 HydrophobicContact CB-CG 4.4Å; K31-E329 WeakPolarHBondContact CE-OE1 3.04Å; K31-E329 VanDerWaalsContact CG-CD 3.46Å; K31-E329 HydrophobicContact CG-CG 3.69Å; K31-E329 WeakPolarHBondContact CG-OE2 3.4Å; K31-E329 IonicContact NZ-OE1 3.7Å; T35-E329 HydrophobicContact CG2-CB 4.27Å; T35-E329 VanDerWaalsContact CG2-OE2 3.27Å; T35-E329 WeakPolarHBondContact CG2-OE2 3.43Å; T35-E329 PolarHBondContact OG1-OE2 2.7Å; W325-E329 WeakPolarHBondContact O-CG 3.35Å; Y326-E329 PolarHBondContact O-N 3.27Å; T327-E329 PolarHBondContact O-N 2.86Å
330	G	88.2	Confident	91.9	Very high	66 Å²	66	59.7 Å²	59.7	68%	0.68	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.8	2.9	174.7	0	0	0	0	0	115.8	T327	T327-G330 PolarHBondContact O-N 2.52Å; T327-G330 VanDerWaalsContact O-N 3.17Å
331	M	93	Very high	92	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.025	32%	0.32	C	S	.	.			trans	-80.3	139.5	179.2	-167.8	179.5	172	0	0	112.2	W29 A30 Y34 L115 Y326 T327 E335 F336	W29-M331 HydrophobicContact CE3-SD 4.25Å; W29-M331 HydrophobicContact CZ3-CE 4.37Å; W29-M331 HydrophobicContact CZ3-SD 4.19Å; A30-M331 HydrophobicContact CB-CB 4.33Å; A30-M331 HydrophobicContact CB-SD 4.24Å; Y34-M331 HydrophobicContact CD2-CB 4.49Å; Y34-M331 HydrophobicContact CE2-CB 4.21Å; Y34-M331 HydrophobicContact CE2-CG 4.1Å; L115-M331 HydrophobicContact CD1-CE 3.63Å; L115-M331 HydrophobicContact CD1-SD 4.05Å; L115-M331 HydrophobicContact CD2-CE 3.38Å; L115-M331 HydrophobicContact CG-CE 4.13Å; Y326-M331 HydrophobicContact CD1-SD 4.33Å; Y326-M331 WeakPolarHBondContact O-CB 3.27Å; Y326-M331 PolarHBondContact O-N 2.82Å; T327-M331 VanDerWaalsContact CA-O 3.3Å; T327-M331 WeakPolarHBondContact CA-O 3.11Å; T327-M331 WeakPolarHBondContact CG2-O 3.38Å; M331-E335 HydrophobicContact CE-CB 3.52Å; M331-E335 HydrophobicContact CE-CG 4.5Å; M331-E335 HydrophobicContact CG-CB 4.3Å; M331-E335 WeakPolarHBondContact CG-OE2 3.47Å; M331-F336 HydrophobicContact CE-CD2 3.63Å; M331-F336 HydrophobicContact CE-CE1 4.39Å; M331-F336 HydrophobicContact CE-CE2 3.38Å; M331-F336 HydrophobicContact CE-CG 4.24Å; M331-F336 HydrophobicContact CE-CZ 3.78Å; M331-F336 HydrophobicContact CG-CE2 4.11Å; M331-F336 HydrophobicContact SD-CD2 4.26Å; M331-F336 HydrophobicContact SD-CE2 3.43Å; M331-F336 WeakPolarHBondContact SD-CE2 3.39Å; M331-F336 HydrophobicContact SD-CZ 3.71Å
332	D	91.9	Very high	92.3	Very high	97 Å²	97	56.4 Å²	56.4	52%	0.519	31%	0.312	S	S	.	.			trans	-85.4	150.5	175.7	-159.1	-16	0	0	0	112.1	M334 E335	D332-M334 HydrophobicContact CB-CB 4.41Å; D332-M334 PolarHBondContact O-N 3.42Å; D332-M334 PolarHBondContact OD1-N 3.13Å; D332-E335 PolarHBondContact N-OE1 3.28Å; D332-E335 PolarHBondContact O-N 3.4Å
333	E	90.3	Very high	92.3	Very high	72 Å²	72	52.8 Å²	52.8	34%	0.336	30%	0.296	S	S	.	.	H	α-helix	trans	-60.9	-24.6	169.2	-60.1	-165.3	164.9	0	0	111.8	K320 L323 T327 F336 T337	K320-E333 IonicContact NZ-OE1 2.89Å; K320-E333 PolarHBondContact NZ-OE1 3.35Å; K320-E333 IonicContact NZ-OE2 2.66Å; K320-E333 PolarHBondContact NZ-OE2 3.17Å; L323-E333 HydrophobicContact CD2-CG 3.8Å; L323-E333 VanDerWaalsContact CD2-OE1 3.25Å; L323-E333 WeakPolarHBondContact CD2-OE1 3.49Å; T327-E333 HydrophobicContact CG2-CG 4.24Å; E333-F336 WeakPolarHBondContact O-CB 3.49Å; E333-F336 PolarHBondContact O-N 3.48Å; E333-T337 PolarHBondContact O-N 3.04Å; E333-T337 PolarHBondContact O-OG1 3.1Å
334	M	92.3	Very high	92.4	Very high	119 Å²	119	55.5 Å²	55.5	59%	0.586	31%	0.311	S	S	*	.	H	α-helix	trans	-63.5	-39.8	176.6	-172.2	165.4	-109.9	0	0	112	D332 F336 T337 E338	D332-M334 HydrophobicContact CB-CB 4.41Å; D332-M334 PolarHBondContact O-N 3.42Å; D332-M334 PolarHBondContact OD1-N 3.13Å; M334-F336 VanDerWaalsContact C-N 3.26Å; M334-F336 PolarHBondContact O-N 3.38Å; M334-T337 WeakPolarHBondContact O-CA 3.43Å; M334-T337 WeakPolarHBondContact O-CB 3.3Å; M334-T337 PolarHBondContact O-N 3.06Å; M334-E338 HydrophobicContact CG-CG 4.44Å; M334-E338 WeakPolarHBondContact O-CG 3.43Å; M334-E338 PolarHBondContact O-N 2.77Å
335	E	92.6	Very high	92.6	Very high	48 Å²	48	53.1 Å²	53.1	22%	0.224	30%	0.302	C	S	.	.	H	α-helix	trans	-60.5	-34.8	177.8	-71.1	176.9	-129.6	0	0	112.3	Y34 M331 D332 T337 A339	Y34-E335 PolarHBondContact OH-OE2 3.34Å; M331-E335 HydrophobicContact CE-CB 3.52Å; M331-E335 HydrophobicContact CE-CG 4.5Å; M331-E335 HydrophobicContact CG-CB 4.3Å; M331-E335 WeakPolarHBondContact CG-OE2 3.47Å; D332-E335 PolarHBondContact N-OE1 3.28Å; D332-E335 PolarHBondContact O-N 3.4Å; E335-T337 VanDerWaalsContact C-N 3.33Å; E335-A339 WeakPolarHBondContact O-CB 3.42Å; E335-A339 PolarHBondContact O-N 3.03Å
336	F	93.1	Very high	92.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.1	-40.6	173.6	-75.9	-91.5	0	0	0	112	Y111 L115 F313 F317 L323 Y326 M331 E333 M334 E340	Y111-F336 AromaticContact CD1-CD1 3.8Å; Y111-F336 HydrophobicContact CD1-CD1 3.8Å; Y111-F336 AromaticContact CD1-CE1 3.61Å; Y111-F336 HydrophobicContact CD1-CE1 3.61Å; Y111-F336 HydrophobicContact CE1-CD1 4.12Å; Y111-F336 HydrophobicContact CE1-CE1 4.15Å; Y111-F336 HydrophobicContact CG-CE1 4.07Å; L115-F336 HydrophobicContact CD1-CE1 3.91Å; L115-F336 HydrophobicContact CD1-CZ 4.1Å; L115-F336 HydrophobicContact CD2-CD1 4.43Å; F313-F336 AromaticContact CE2-CD1 3.91Å; F313-F336 HydrophobicContact CE2-CD1 3.91Å; F313-F336 HydrophobicContact CZ-CB 4.1Å; F313-F336 AromaticContact CZ-CD1 3.9Å; F313-F336 HydrophobicContact CZ-CD1 3.9Å; F313-F336 WeakPolarHBondContact CZ-O 3.44Å; F317-F336 HydrophobicContact CD2-CB 4.25Å; F317-F336 HydrophobicContact CE2-CB 3.6Å; F317-F336 HydrophobicContact CE2-CD1 4.5Å; F317-F336 HydrophobicContact CE2-CG 4.05Å; F317-F336 HydrophobicContact CZ-CB 3.81Å; L323-F336 HydrophobicContact CD1-CD1 4.28Å; L323-F336 HydrophobicContact CD1-CD2 3.87Å; L323-F336 HydrophobicContact CD1-CE1 4.11Å; L323-F336 HydrophobicContact CD1-CE2 3.67Å; L323-F336 HydrophobicContact CD1-CG 4.17Å; L323-F336 HydrophobicContact CD1-CZ 3.81Å; Y326-F336 AromaticContact CD1-CZ 3.79Å; Y326-F336 HydrophobicContact CD1-CZ 3.79Å; Y326-F336 HydrophobicContact CD2-CZ 4.01Å; Y326-F336 HydrophobicContact CE1-CZ 4.48Å; Y326-F336 HydrophobicContact CG-CE1 4.42Å; Y326-F336 HydrophobicContact CG-CE2 4.36Å; Y326-F336 AromaticContact CG-CZ 3.53Å; Y326-F336 HydrophobicContact CG-CZ 3.53Å; M331-F336 HydrophobicContact CE-CD2 3.63Å; M331-F336 HydrophobicContact CE-CE1 4.39Å; M331-F336 HydrophobicContact CE-CE2 3.38Å; M331-F336 HydrophobicContact CE-CG 4.24Å; M331-F336 HydrophobicContact CE-CZ 3.78Å; M331-F336 HydrophobicContact CG-CE2 4.11Å; M331-F336 HydrophobicContact SD-CD2 4.26Å; M331-F336 HydrophobicContact SD-CE2 3.43Å; M331-F336 WeakPolarHBondContact SD-CE2 3.39Å; M331-F336 HydrophobicContact SD-CZ 3.71Å; E333-F336 WeakPolarHBondContact O-CB 3.49Å; E333-F336 PolarHBondContact O-N 3.48Å; M334-F336 VanDerWaalsContact C-N 3.26Å; M334-F336 PolarHBondContact O-N 3.38Å; F336-E340 WeakPolarHBondContact O-CB 3.47Å; F336-E340 PolarHBondContact O-N 3.29Å
337	T	93.6	Very high	92.7	Very high	70 Å²	70	48 Å²	48	43%	0.429	28%	0.284	S	S	.	.	H	α-helix	trans	-70.1	-40.1	-179.2	-50.4	0	0	0	0	110.7	E333 M334 E335 E340 S341	E333-T337 PolarHBondContact O-N 3.04Å; E333-T337 PolarHBondContact O-OG1 3.1Å; M334-T337 WeakPolarHBondContact O-CA 3.43Å; M334-T337 WeakPolarHBondContact O-CB 3.3Å; M334-T337 PolarHBondContact O-N 3.06Å; E335-T337 VanDerWaalsContact C-N 3.33Å; T337-E340 PolarHBondContact O-N 3.35Å; T337-S341 WeakPolarHBondContact O-CB 3.35Å; T337-S341 PolarHBondContact O-N 3.17Å
338	E	94.1	Very high	92.8	Very high	101 Å²	101	48.8 Å²	48.8	47%	0.472	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-46.5	175	-70.4	175.6	178.4	0	0	111.4	M334 E340 S341 N342	M334-E338 HydrophobicContact CG-CG 4.44Å; M334-E338 WeakPolarHBondContact O-CG 3.43Å; M334-E338 PolarHBondContact O-N 2.77Å; E338-E340 VanDerWaalsContact C-N 3.35Å; E338-E340 PolarHBondContact O-N 3.38Å; E338-S341 PolarHBondContact O-N 2.87Å; E338-N342 WeakPolarHBondContact O-CB 3.47Å; E338-N342 PolarHBondContact O-N 3.28Å
339	A	94	Very high	92.9	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-38.3	177.3	0	0	0	0	0	112.5	T114 L115 H118 E335 M343	T114-A339 HydrophobicContact CG2-CB 4.05Å; L115-A339 HydrophobicContact CD2-CB 3.75Å; H118-A339 HydrophobicContact CB-CB 3.93Å; E335-A339 WeakPolarHBondContact O-CB 3.42Å; E335-A339 PolarHBondContact O-N 3.03Å; A339-M343 WeakPolarHBondContact O-CB 3.36Å; A339-M343 PolarHBondContact O-N 2.9Å
340	E	93.7	Very high	93	Very high	31 Å²	31	45.4 Å²	45.4	15%	0.145	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-45.1	173.1	-173.3	176.6	-143.3	0	0	111.6	F313 T314 F336 T337 E338 M343 N344	F313-E340 HydrophobicContact CD1-CB 4.21Å; F313-E340 HydrophobicContact CD1-CG 4.01Å; F313-E340 HydrophobicContact CE1-CB 3.62Å; F313-E340 HydrophobicContact CE1-CG 3.83Å; F313-E340 HydrophobicContact CZ-CB 4.21Å; T314-E340 WeakPolarHBondContact CB-OE1 3.43Å; T314-E340 PolarHBondContact OG1-OE1 3.44Å; F336-E340 WeakPolarHBondContact O-CB 3.47Å; F336-E340 PolarHBondContact O-N 3.29Å; T337-E340 PolarHBondContact O-N 3.35Å; E338-E340 VanDerWaalsContact C-N 3.35Å; E338-E340 PolarHBondContact O-N 3.38Å; E340-M343 PolarHBondContact O-N 3.36Å; E340-N344 VanDerWaalsContact O-CG 3.25Å; E340-N344 PolarHBondContact O-N 3.26Å; E340-N344 VanDerWaalsContact O-N 3.07Å; E340-N344 PolarHBondContact O-ND2 3.12Å
341	S	94.1	Very high	93.1	Very high	62 Å²	62	45 Å²	45	43%	0.434	24%	0.24	S	C	.	.	H	α-helix	trans	-60.6	-51.9	176.9	-166.2	0	0	0	0	110.9	T337 E338 M343 N344 D345	T337-S341 WeakPolarHBondContact O-CB 3.35Å; T337-S341 PolarHBondContact O-N 3.17Å; E338-S341 PolarHBondContact O-N 2.87Å; S341-M343 VanDerWaalsContact C-N 3.27Å; S341-M343 PolarHBondContact O-N 3.43Å; S341-N344 CarbonylContact O-C 3.59Å; S341-N344 WeakPolarHBondContact O-CA 3.41Å; S341-N344 WeakPolarHBondContact O-CB 3.48Å; S341-N344 PolarHBondContact O-N 3.35Å; S341-D345 VanDerWaalsContact O-CG 3.22Å; S341-D345 PolarHBondContact O-N 3.42Å
342	N	93.8	Very high	93.1	Very high	17 Å²	17	50.7 Å²	50.7	9%	0.091	27%	0.267	C	S	.	.	H	α-helix	trans	-62.1	-35.5	-177.8	-171.3	44	0	0	0	112.4	H118 R190 E338 D345 L346	H118-N342 PolarHBondContact ND1-ND2 3.22Å; R190-N342 PolarHBondContact NH1-OD1 3.17Å; R190-N342 PolarHBondContact NH2-OD1 2.97Å; E338-N342 WeakPolarHBondContact O-CB 3.47Å; E338-N342 PolarHBondContact O-N 3.28Å; N342-D345 PolarHBondContact O-N 2.61Å; N342-L346 WeakPolarHBondContact O-CB 3.48Å; N342-L346 PolarHBondContact O-N 2.85Å
343	M	92.8	Very high	93	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-43.6	172.2	-176.8	72.1	72.2	0	0	111.9	T114 V117 F306 A339 E340 S341 D345 L346 V347	T114-M343 HydrophobicContact CG2-CE 4.25Å; V117-M343 HydrophobicContact CB-CE 3.38Å; V117-M343 HydrophobicContact CB-SD 4.39Å; V117-M343 HydrophobicContact CG1-CE 3.4Å; V117-M343 HydrophobicContact CG1-SD 3.75Å; V117-M343 HydrophobicContact CG2-CE 3.87Å; F306-M343 HydrophobicContact CB-SD 3.85Å; F306-M343 HydrophobicContact CD1-CE 4.28Å; F306-M343 HydrophobicContact CD1-SD 3.42Å; F306-M343 WeakPolarHBondContact CD1-SD 3.39Å; F306-M343 HydrophobicContact CE1-SD 4.23Å; F306-M343 HydrophobicContact CG-SD 3.89Å; A339-M343 WeakPolarHBondContact O-CB 3.36Å; A339-M343 PolarHBondContact O-N 2.9Å; E340-M343 PolarHBondContact O-N 3.36Å; S341-M343 VanDerWaalsContact C-N 3.27Å; S341-M343 PolarHBondContact O-N 3.43Å; M343-D345 VanDerWaalsContact C-N 3.35Å; M343-L346 PolarHBondContact O-N 2.98Å; M343-V347 WeakPolarHBondContact O-CG2 3.5Å; M343-V347 PolarHBondContact O-N 3.26Å
344	N	93.9	Very high	92.9	Very high	62 Å²	62	46.6 Å²	46.6	33%	0.332	24%	0.243	S	C	.	.	H	α-helix	trans	-70.3	-33.8	179.2	-67.7	-33.6	0	0	0	112	S310 E340 S341 V347 S348	S310-N344 PolarHBondContact OG-OD1 3.09Å; E340-N344 VanDerWaalsContact O-CG 3.25Å; E340-N344 PolarHBondContact O-N 3.26Å; E340-N344 VanDerWaalsContact O-N 3.07Å; E340-N344 PolarHBondContact O-ND2 3.12Å; S341-N344 CarbonylContact O-C 3.59Å; S341-N344 WeakPolarHBondContact O-CA 3.41Å; S341-N344 WeakPolarHBondContact O-CB 3.48Å; S341-N344 PolarHBondContact O-N 3.35Å; N344-V347 PolarHBondContact O-N 2.97Å; N344-S348 WeakPolarHBondContact O-CB 3.49Å; N344-S348 PolarHBondContact O-N 3.27Å; N344-S348 PolarHBondContact O-OG 3.27Å
345	D	94.5	Very high	92.7	Very high	75 Å²	75	45.7 Å²	45.7	40%	0.401	24%	0.24	S	C	.	.	H	α-helix	trans	-64.5	-45.8	173.4	-64.1	-27.9	0	0	0	110.2	S341 N342 M343 V347 S348 E349	S341-D345 VanDerWaalsContact O-CG 3.22Å; S341-D345 PolarHBondContact O-N 3.42Å; N342-D345 PolarHBondContact O-N 2.61Å; M343-D345 VanDerWaalsContact C-N 3.35Å; D345-V347 VanDerWaalsContact C-N 3.33Å; D345-V347 PolarHBondContact O-N 3.36Å; D345-S348 CarbonylContact O-C 3.42Å; D345-S348 WeakPolarHBondContact O-CA 3.36Å; D345-S348 WeakPolarHBondContact O-CB 3.38Å; D345-S348 PolarHBondContact O-N 3.02Å; D345-E349 WeakPolarHBondContact O-CG 3.05Å; D345-E349 PolarHBondContact O-N 3.32Å
346	L	93.2	Very high	92.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.7	-44.1	173.8	-178.8	70.5	0	0	0	112.2	V117 V121 R190 L191 F193 F306 N342 M343 S348 E349 Y350	V117-L346 HydrophobicContact CG1-CD2 4.39Å; V121-L346 HydrophobicContact CG2-CD1 4.46Å; V121-L346 HydrophobicContact CG2-CD2 3.86Å; R190-L346 HydrophobicContact CB-CD1 4.48Å; R190-L346 WeakPolarHBondContact O-CD1 3.04Å; L191-L346 HydrophobicContact CD2-CD1 3.79Å; F193-L346 HydrophobicContact CD2-CD2 4.14Å; F193-L346 HydrophobicContact CE2-CD1 4.27Å; F193-L346 HydrophobicContact CE2-CD2 3.7Å; F193-L346 HydrophobicContact CZ-CD2 4.38Å; F306-L346 HydrophobicContact CD2-CD2 4.2Å; F306-L346 HydrophobicContact CE1-CD2 4.34Å; F306-L346 HydrophobicContact CE2-CD2 3.9Å; F306-L346 HydrophobicContact CZ-CD2 3.97Å; N342-L346 WeakPolarHBondContact O-CB 3.48Å; N342-L346 PolarHBondContact O-N 2.85Å; M343-L346 PolarHBondContact O-N 2.98Å; L346-S348 VanDerWaalsContact C-N 3.28Å; L346-S348 PolarHBondContact O-N 2.81Å; L346-E349 PolarHBondContact O-N 3.3Å; L346-Y350 HydrophobicContact CD1-CD2 4.36Å; L346-Y350 HydrophobicContact CD1-CE2 3.93Å; L346-Y350 HydrophobicContact CD2-CE2 4.42Å; L346-Y350 HydrophobicContact CG-CD2 4.15Å; L346-Y350 HydrophobicContact CG-CE2 3.96Å; L346-Y350 VanDerWaalsContact O-CD2 3.28Å; L346-Y350 WeakPolarHBondContact O-CD2 3.37Å; L346-Y350 PolarHBondContact O-N 3.07Å; L346-Y350 VanDerWaalsContact O-N 3.09Å
347	V	93.6	Very high	91.3	Very high	13 Å²	13	47.3 Å²	47.3	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-40.4	175.1	166.9	0	0	0	0	111.2	Q303 F306 K307 M343 N344 D345 Y350 Q351	Q303-V347 HydrophobicContact CB-CG1 4.41Å; F306-V347 HydrophobicContact CB-CG2 3.56Å; K307-V347 HydrophobicContact CD-CG1 4.23Å; K307-V347 HydrophobicContact CG-CG1 3.85Å; K307-V347 HydrophobicContact CG-CG2 4.37Å; M343-V347 WeakPolarHBondContact O-CG2 3.5Å; M343-V347 PolarHBondContact O-N 3.26Å; N344-V347 PolarHBondContact O-N 2.97Å; D345-V347 VanDerWaalsContact C-N 3.33Å; D345-V347 PolarHBondContact O-N 3.36Å; V347-Y350 PolarHBondContact O-N 3Å; V347-Q351 PolarHBondContact O-N 3.13Å
348	S	93.3	Very high	89.7	Confident	71 Å²	71	46.5 Å²	46.5	50%	0.497	26%	0.256	S	S	.	.	H	α-helix	trans	-68.8	-38.6	179.5	-57.4	0	0	0	0	111.8	N344 D345 L346 Q351 Q352	N344-S348 WeakPolarHBondContact O-CB 3.49Å; N344-S348 PolarHBondContact O-N 3.27Å; N344-S348 PolarHBondContact O-OG 3.27Å; D345-S348 CarbonylContact O-C 3.42Å; D345-S348 WeakPolarHBondContact O-CA 3.36Å; D345-S348 WeakPolarHBondContact O-CB 3.38Å; D345-S348 PolarHBondContact O-N 3.02Å; L346-S348 VanDerWaalsContact C-N 3.28Å; L346-S348 PolarHBondContact O-N 2.81Å; S348-Q351 WeakPolarHBondContact O-CB 3.46Å; S348-Q351 PolarHBondContact O-N 2.93Å; S348-Q352 WeakPolarHBondContact O-CB 3.24Å; S348-Q352 PolarHBondContact O-N 3.25Å
349	E	92.9	Very high	87.7	Confident	43 Å²	43	50.4 Å²	50.4	20%	0.201	27%	0.274	C	S	.	.	H	α-helix	trans	-59.3	-48.2	172.4	-72.9	169.8	-147.9	0	0	111	R190 L191 D345 L346 Q351 Q352 Y353	R190-E349 WeakPolarHBondContact CB-OE2 3.25Å; R190-E349 IonicContact CZ-OE1 3.31Å; R190-E349 VanDerWaalsContact CZ-OE1 3.23Å; R190-E349 IonicContact NE-OE1 2.76Å; R190-E349 PolarHBondContact NE-OE1 3.18Å; R190-E349 IonicContact NE-OE2 2.73Å; R190-E349 PolarHBondContact NE-OE2 3.42Å; R190-E349 IonicContact NH2-OE1 3.92Å; R190-E349 PolarHBondContact NH2-OE1 3.16Å; R190-E349 VanDerWaalsContact NH2-OE1 3.14Å; L191-E349 HydrophobicContact CD2-CB 4.11Å; D345-E349 WeakPolarHBondContact O-CG 3.05Å; D345-E349 PolarHBondContact O-N 3.32Å; L346-E349 PolarHBondContact O-N 3.3Å; E349-Q351 VanDerWaalsContact C-N 3.26Å; E349-Q351 PolarHBondContact O-N 3.14Å; E349-Q352 WeakPolarHBondContact O-CB 3.44Å; E349-Q352 PolarHBondContact O-N 3.08Å; E349-Y353 WeakPolarHBondContact O-CD2 3.42Å; E349-Y353 PolarHBondContact O-N 3.29Å; E349-Y353 VanDerWaalsContact O-N 3.12Å
350	Y	93.3	Very high	85.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.2	-38.1	175.1	-83.6	-63	0	0	0	112.6	L191 T300 I302 F306 L346 V347 Q354	L191-Y350 HydrophobicContact CB-CE1 4.04Å; L191-Y350 HydrophobicContact CD1-CD1 4.23Å; L191-Y350 HydrophobicContact CD1-CE1 4.22Å; L191-Y350 HydrophobicContact CD2-CD1 4.01Å; L191-Y350 HydrophobicContact CD2-CD2 3.92Å; L191-Y350 HydrophobicContact CD2-CE1 3.81Å; L191-Y350 HydrophobicContact CD2-CE2 3.69Å; L191-Y350 HydrophobicContact CD2-CG 4.08Å; L191-Y350 HydrophobicContact CG-CE1 4.25Å; T300-Y350 HydrophobicContact CG2-CD1 4.37Å; T300-Y350 WeakPolarHBondContact CG2-O 3.32Å; I302-Y350 HydrophobicContact CG2-CD1 4.1Å; I302-Y350 HydrophobicContact CG2-CD2 4.03Å; I302-Y350 HydrophobicContact CG2-CE1 3.65Å; I302-Y350 HydrophobicContact CG2-CE2 3.59Å; I302-Y350 HydrophobicContact CG2-CG 4.27Å; F306-Y350 HydrophobicContact CD2-CE2 4.44Å; F306-Y350 HydrophobicContact CE2-CE2 4.03Å; L346-Y350 HydrophobicContact CD1-CD2 4.36Å; L346-Y350 HydrophobicContact CD1-CE2 3.93Å; L346-Y350 HydrophobicContact CD2-CE2 4.42Å; L346-Y350 HydrophobicContact CG-CD2 4.15Å; L346-Y350 HydrophobicContact CG-CE2 3.96Å; L346-Y350 VanDerWaalsContact O-CD2 3.28Å; L346-Y350 WeakPolarHBondContact O-CD2 3.37Å; L346-Y350 PolarHBondContact O-N 3.07Å; L346-Y350 VanDerWaalsContact O-N 3.09Å; V347-Y350 PolarHBondContact O-N 3Å; Y350-Q354 WeakPolarHBondContact O-CB 3.25Å; Y350-Q354 PolarHBondContact O-N 2.99Å; Y350-Q354 VanDerWaalsContact O-N 3.09Å
351	Q	92	Very high	82.9	Confident	56 Å²	56	59 Å²	59	26%	0.262	33%	0.332	S	S	.	.	H	α-helix	trans	-67.8	-42.3	176.7	-172.3	62.4	54.6	0	0	111.7	Q303 V347 S348 E349 Y353 Q354 D355	Q303-Q351 VanDerWaalsContact NE2-OE1 3.08Å; Q303-Q351 VanDerWaalsContact OE1-OE1 3.06Å; V347-Q351 PolarHBondContact O-N 3.13Å; S348-Q351 WeakPolarHBondContact O-CB 3.46Å; S348-Q351 PolarHBondContact O-N 2.93Å; E349-Q351 VanDerWaalsContact C-N 3.26Å; E349-Q351 PolarHBondContact O-N 3.14Å; Q351-Y353 PolarHBondContact O-N 3.07Å; Q351-Q354 WeakPolarHBondContact O-CB 3.33Å; Q351-Q354 PolarHBondContact O-N 3.46Å; Q351-Q354 VanDerWaalsContact O-N 3.15Å; Q351-D355 VanDerWaalsContact NE2-CG 3.34Å; Q351-D355 PolarHBondContact NE2-OD1 2.8Å; Q351-D355 PolarHBondContact NE2-OD2 3.29Å; Q351-D355 PolarHBondContact O-N 3.3Å; Q351-D355 VanDerWaalsContact O-N 3.08Å
352	Q	92.1	Very high	80.2	Confident	126 Å²	126	64.4 Å²	64.4	59%	0.589	35%	0.35	S	S	*	.	H	α-helix	trans	-57.2	-49	177.3	-177.6	-178.5	-3.2	0	0	111.2	S348 E349 Q354 D355 A356	S348-Q352 WeakPolarHBondContact O-CB 3.24Å; S348-Q352 PolarHBondContact O-N 3.25Å; E349-Q352 WeakPolarHBondContact O-CB 3.44Å; E349-Q352 PolarHBondContact O-N 3.08Å; Q352-Q354 VanDerWaalsContact C-N 3.29Å; Q352-Q354 PolarHBondContact O-N 2.66Å; Q352-D355 PolarHBondContact O-N 3.2Å; Q352-A356 WeakPolarHBondContact O-CB 3.34Å; Q352-A356 PolarHBondContact O-N 3.39Å
353	Y	89.9	Confident	77.8	Confident	52 Å²	52	72.5 Å²	72.5	20%	0.204	39%	0.385	C	S	.	.	H	α-helix	trans	-73.7	-20.2	178.9	-66.1	-65.9	0	0	0	114.1	F188 L191 W272 E349 Q351	F188-Y353 HydrophobicContact CD2-CD1 4.46Å; F188-Y353 HydrophobicContact CD2-CD2 4.28Å; F188-Y353 HydrophobicContact CD2-CE1 4.04Å; F188-Y353 AromaticContact CD2-CE2 3.82Å; F188-Y353 HydrophobicContact CD2-CE2 3.82Å; F188-Y353 AromaticContact CD2-CZ 3.68Å; F188-Y353 AromaticContact CE1-CE1 3.98Å; F188-Y353 HydrophobicContact CE1-CE1 3.98Å; F188-Y353 AromaticContact CE1-CZ 3.84Å; F188-Y353 WeakPolarHBondContact CE1-OH 3.5Å; F188-Y353 AromaticContact CE2-CD1 3.6Å; F188-Y353 HydrophobicContact CE2-CD1 3.6Å; F188-Y353 HydrophobicContact CE2-CD2 4.2Å; F188-Y353 AromaticContact CE2-CE1 3.22Å; F188-Y353 HydrophobicContact CE2-CE1 3.22Å; F188-Y353 AromaticContact CE2-CE2 3.86Å; F188-Y353 HydrophobicContact CE2-CE2 3.86Å; F188-Y353 HydrophobicContact CE2-CG 4.08Å; F188-Y353 AromaticContact CE2-CZ 3.35Å; F188-Y353 HydrophobicContact CG-CE2 4.28Å; F188-Y353 AromaticContact CZ-CD1 3.97Å; F188-Y353 HydrophobicContact CZ-CD1 3.97Å; F188-Y353 AromaticContact CZ-CE1 3.21Å; F188-Y353 HydrophobicContact CZ-CE1 3.21Å; F188-Y353 HydrophobicContact CZ-CE2 4.4Å; F188-Y353 AromaticContact CZ-CZ 3.46Å; F188-Y353 VanDerWaalsContact CZ-CZ 3.46Å; F188-Y353 WeakPolarHBondContact CZ-OH 3.5Å; L191-Y353 HydrophobicContact CD1-CD2 3.4Å; L191-Y353 VanDerWaalsContact CD1-CD2 3.4Å; L191-Y353 HydrophobicContact CD1-CE2 3.63Å; L191-Y353 HydrophobicContact CD1-CG 4.41Å; W272-Y353 HydrophobicContact CZ2-CD1 4.2Å; E349-Y353 WeakPolarHBondContact O-CD2 3.42Å; E349-Y353 PolarHBondContact O-N 3.29Å; E349-Y353 VanDerWaalsContact O-N 3.12Å; Q351-Y353 PolarHBondContact O-N 3.07Å
354	Q	88.7	Confident	75.2	Confident	30 Å²	30	81.3 Å²	81.3	14%	0.14	43%	0.426	C	S	.	.	H	α-helix	trans	-69.2	-41.8	172.5	-178.1	167.7	-50.7	0	0	111.4	H235 R237 T300 Y350 Q351 Q352	H235-Q354 PolarHBondContact O-NE2 2.99Å; R237-Q354 PolarHBondContact NH1-O 2.92Å; T300-Q354 HydrophobicContact CG2-CB 3.99Å; T300-Q354 PolarHBondContact OG1-OE1 3.45Å; Y350-Q354 WeakPolarHBondContact O-CB 3.25Å; Y350-Q354 PolarHBondContact O-N 2.99Å; Y350-Q354 VanDerWaalsContact O-N 3.09Å; Q351-Q354 WeakPolarHBondContact O-CB 3.33Å; Q351-Q354 PolarHBondContact O-N 3.46Å; Q351-Q354 VanDerWaalsContact O-N 3.15Å; Q352-Q354 VanDerWaalsContact C-N 3.29Å; Q352-Q354 PolarHBondContact O-N 2.66Å
355	D	87.9	Confident	72.4	Confident	101 Å²	101	87.7 Å²	87.7	54%	0.54	45%	0.454	S	S	.	.	H	α-helix	trans	-85.5	-20.5	-178.1	-63.2	-29.4	0	0	0	112.5	Q351 Q352 T357	Q351-D355 VanDerWaalsContact NE2-CG 3.34Å; Q351-D355 PolarHBondContact NE2-OD1 2.8Å; Q351-D355 PolarHBondContact NE2-OD2 3.29Å; Q351-D355 PolarHBondContact O-N 3.3Å; Q351-D355 VanDerWaalsContact O-N 3.08Å; Q352-D355 PolarHBondContact O-N 3.2Å; D355-T357 PolarHBondContact O-N 3.05Å
356	A	82.3	Confident	69.6	Low	21 Å²	21	92.8 Å²	92.8	17%	0.174	48%	0.476	C	S	.	.			trans	-53.6	134.7	176.6	0	0	0	0	0	112.3	R237 Q352	R237-A356 PolarHBondContact NH1-O 2.78Å; Q352-A356 WeakPolarHBondContact O-CB 3.34Å; Q352-A356 PolarHBondContact O-N 3.39Å
357	T	73.4	Confident	66.7	Low	61 Å²	61	96.3 Å²	96.3	37%	0.374	51%	0.512	S	S	.	.			trans	-117.3	156.6	175.1	60.5	0	0	0	0	110.3	D355 E359 E360	D355-T357 PolarHBondContact O-N 3.05Å; T357-E359 PolarHBondContact O-N 3.11Å; T357-E359 VanDerWaalsContact O-N 3.08Å; T357-E360 PolarHBondContact O-N 3.32Å; T357-E360 VanDerWaalsContact O-N 3.07Å
358	A	59.5	Low	63.9	Low	52 Å²	52	104.9 Å²	104.9	43%	0.43	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-60.8	-18.8	-177.7	0	0	0	0	0	113.7	E271	E271-A358 HydrophobicContact CB-CB 4.46Å
359	E	52.6	Low	61.2	Low	184 Å²	184	110.2 Å²	110.2	86%	0.86	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-78.9	-16.8	177.5	-66.1	-174.8	167.1	0	0	113.5	T357	T357-E359 PolarHBondContact O-N 3.11Å; T357-E359 VanDerWaalsContact O-N 3.08Å
360	E	47.1	Very low	58.7	Low	144 Å²	144	117.3 Å²	117.3	67%	0.673	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-93.2	-2.5	179.4	-68.3	-179.3	158.3	0	0	113.3	T357	T357-E360 PolarHBondContact O-N 3.32Å; T357-E360 VanDerWaalsContact O-N 3.07Å
361	G	40.9	Very low	56.2	Low	66 Å²	66	124.3 Å²	124.3	68%	0.68	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	5.3	-174.9	0	0	0	0	0	116.7	F363	G361-F363 VanDerWaalsContact C-N 3.33Å
362	E	37.7	Very low	53.9	Low	176 Å²	176	129.5 Å²	129.5	82%	0.822	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	5.6	177.8	-79.8	-166.2	169.6	0	0	114.5
363	F	42.8	Very low	52	Low	187 Å²	187	129.7 Å²	129.7	82%	0.82	70%	0.702	S	S	*	*	S	Bend	trans	-119.4	82.6	177.9	-78.7	-102.1	0	0	0	110.8	G361	G361-F363 VanDerWaalsContact C-N 3.33Å
364	E	38.6	Very low	50	Low	187 Å²	187	133.8 Å²	133.8	87%	0.874	73%	0.728	S	S	*	*			trans	172.7	50.8	145.7	-94	171.7	-160	0	0	109.9	E366	E364-E366 PolarHBondContact O-N 3.05Å
365	E	34.8	Very low	47.8	Very low	196 Å²	196	139.6 Å²	139.6	92%	0.916	76%	0.76	S	S	*	*			trans	-82.6	101.2	146.2	-88.8	-170.8	165.8	0	0	105.6	G367	E365-G367 PolarHBondContact O-N 3.2Å
366	E	34.3	Very low	45.5	Very low	183 Å²	183	141.8 Å²	141.8	86%	0.855	77%	0.773	S	S	*	*			trans	-47.1	123.1	169	-71.6	-176.8	143.4	0	0	109.2	E364 E368	E364-E366 PolarHBondContact O-N 3.05Å; E366-E368 VanDerWaalsContact C-N 3.34Å; E366-E368 PolarHBondContact O-N 3.46Å
367	G	33.6	Very low	43.2	Very low	73 Å²	73	149.4 Å²	149.4	75%	0.753	81%	0.811	S	S	*	*			trans	-61.8	96.5	168.5	0	0	0	0	0	109.9	E365 E369	E365-G367 PolarHBondContact O-N 3.2Å; G367-E369 PolarHBondContact O-N 2.89Å
368	E	34.9	Very low	41.2	Very low	194 Å²	194	155.3 Å²	155.3	91%	0.907	84%	0.84	S	S	*	*			trans	-65.4	75.9	148.2	-75.1	-170	154.6	0	0	107.8	E366 E370	E366-E368 VanDerWaalsContact C-N 3.34Å; E366-E368 PolarHBondContact O-N 3.46Å; E368-E370 PolarHBondContact O-N 3.11Å
369	E	36.9	Very low	39.9	Very low	182 Å²	182	162.6 Å²	162.6	85%	0.85	87%	0.869	S	S	*	*			trans	-75.7	109.4	158.6	-86	-168.1	162.1	0	0	108.4	G367 V371	G367-E369 PolarHBondContact O-N 2.89Å; E369-V371 PolarHBondContact O-N 2.88Å
370	E	39.5	Very low	38.9	Very low	193 Å²	193	161 Å²	161	90%	0.902	87%	0.87	S	S	*	*			trans	-36.8	125.7	162.6	-64.4	179.2	138.2	0	0	112	E368	E368-E370 PolarHBondContact O-N 3.11Å
371	V	41.5	Very low	38.2	Very low	146 Å²	146	162.4 Å²	162.4	89%	0.885	89%	0.886	S	S	*	*			trans	-106.2	110.2	156.9	-171.4	0	0	0	0	107.8	E369	E369-V371 PolarHBondContact O-N 2.88Å
372	A	43	Very low	38	Very low	166 Å²	166	171.2 Å²	171.2	100%	1.372	91%	0.905	S	S	*	*			trans	-63.5	0	177.9	0	0	0	0	0	114.7

Retrieved 372 of 372 residues in 110.7 ms (Link to these results)

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