A0A087XBD4_POEFO Loading...

Mediator of RNA polymerase II transcription subunit 26

AlphaFold DB , UniProt , Accession A0A087XBD4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 609 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	66.5	Low	245 Å²	245	85.8 Å²	85.8	100%	1.207	49%	0.49	S	S	*	.				0	136.8	0	-73.5	173.7	167.4	0	0	107.9
2	T	41.3	Very low	68.4	Low	120 Å²	120	84 Å²	84	74%	0.736	47%	0.472	S	S	*	.			trans	-98.6	111.7	-161.5	-40.6	0	0	0	0	111	V4	T2-V4 HydrophobicContact CG2-CG2 3.79Å; T2-V4 PolarHBondContact O-N 2.73Å
3	T	50.1	Low	70.2	Confident	143 Å²	143	84.2 Å²	84.2	88%	0.877	47%	0.472	S	S	*	.			trans	-76.8	70.5	174.6	53.3	0	0	0	0	110.7
4	V	49.4	Very low	71.6	Confident	96 Å²	96	84.9 Å²	84.9	58%	0.582	46%	0.463	S	S	*	.			trans	-67.3	136.7	173	-177.1	0	0	0	0	108.9	T2 A6	T2-V4 HydrophobicContact CG2-CG2 3.79Å; T2-V4 PolarHBondContact O-N 2.73Å; V4-A6 PolarHBondContact O-N 3.24Å
5	S	51.6	Low	72.9	Confident	103 Å²	103	79.3 Å²	79.3	72%	0.72	43%	0.432	S	S	*	.			trans	-71	77.8	171	175.4	0	0	0	0	110	T7	S5-T7 PolarHBondContact O-N 3.17Å
6	A	67.2	Low	74	Confident	17 Å²	17	79.3 Å²	79.3	14%	0.14	43%	0.431	C	S	.	.			trans	-61.3	126.3	-177.5	0	0	0	0	0	111.1	V4 Q10 M11	V4-A6 PolarHBondContact O-N 3.24Å; A6-Q10 HydrophobicContact CB-CB 4.35Å; A6-M11 HydrophobicContact CB-CG 3.66Å; A6-M11 HydrophobicContact CB-SD 4.4Å
7	T	85	Confident	74.9	Confident	57 Å²	57	83.6 Å²	83.6	35%	0.35	45%	0.448	S	S	.	.			trans	-70.1	160.2	172.1	57.9	0	0	0	0	110.9	S5 Q9 Q10 M11	S5-T7 PolarHBondContact O-N 3.17Å; T7-Q9 PolarHBondContact O-N 2.88Å; T7-Q10 PolarHBondContact O-N 3.46Å; T7-Q10 WeakPolarHBondContact OG1-CG 3.26Å; T7-Q10 PolarHBondContact OG1-N 2.92Å; T7-M11 PolarHBondContact O-N 3.26Å
8	P	84.1	Confident	75.6	Confident	6 Å²	6	79.1 Å²	79.1	4%	0.039	42%	0.424	C	S	.	.	H	α-helix	trans	-51	-39.4	174.1	-30.6	38.9	0	0	0	113.4	M11 K12 Y41 I43 A47 T51 L53	P8-M11 PolarHBondContact O-N 3.13Å; P8-K12 WeakPolarHBondContact O-CB 3.49Å; P8-K12 PolarHBondContact O-N 2.97Å; P8-Y41 HydrophobicContact CG-CD1 4.39Å; P8-Y41 HydrophobicContact CG-CE1 3.61Å; P8-I43 HydrophobicContact CB-CD1 4.14Å; P8-I43 HydrophobicContact CG-CD1 4.41Å; P8-I43 HydrophobicContact CG-CG1 4.32Å; P8-A47 HydrophobicContact CG-CB 4.34Å; P8-T51 HydrophobicContact CB-CG2 3.74Å; P8-L53 HydrophobicContact CB-CD1 4.38Å
9	Q	88.1	Confident	76.4	Confident	63 Å²	63	75.6 Å²	75.6	29%	0.294	41%	0.405	S	S	.	.	H	α-helix	trans	-63.9	-49.8	174.3	-67.5	75.5	4.7	0	0	111.3	T7 M11 K12 D13 E50 T51	T7-Q9 PolarHBondContact O-N 2.88Å; Q9-M11 VanDerWaalsContact C-N 3.28Å; Q9-M11 PolarHBondContact O-N 2.62Å; Q9-K12 WeakPolarHBondContact O-CA 3.47Å; Q9-K12 VanDerWaalsContact O-CB 3.32Å; Q9-K12 WeakPolarHBondContact O-CB 3.43Å; Q9-K12 PolarHBondContact O-N 3.4Å; Q9-K12 VanDerWaalsContact O-N 3.09Å; Q9-D13 PolarHBondContact O-N 3.05Å; Q9-E50 VanDerWaalsContact NE2-CD 3.3Å; Q9-E50 PolarHBondContact NE2-OE1 3.23Å; Q9-E50 PolarHBondContact NE2-OE2 3.38Å; Q9-T51 HydrophobicContact CG-CG2 4.07Å
10	Q	89.6	Confident	76.9	Confident	91 Å²	91	74.3 Å²	74.3	43%	0.425	40%	0.398	S	S	.	.	H	α-helix	trans	-61.6	-34.4	176.1	-72	170.4	-2.6	0	0	113.1	A6 T7 R14	A6-Q10 HydrophobicContact CB-CB 4.35Å; T7-Q10 PolarHBondContact O-N 3.46Å; T7-Q10 WeakPolarHBondContact OG1-CG 3.26Å; T7-Q10 PolarHBondContact OG1-N 2.92Å; Q10-R14 WeakPolarHBondContact O-CB 3.24Å; Q10-R14 WeakPolarHBondContact O-CG 3.5Å; Q10-R14 PolarHBondContact O-N 2.92Å
11	M	89.6	Confident	77.1	Confident	3 Å²	3	76.4 Å²	76.4	2%	0.015	42%	0.419	C	S	.	.	H	α-helix	trans	-68.8	-39.5	174.1	-69.8	-171	-74.9	0	0	111.8	A6 T7 P8 Q9 L15 V34 C37 L38 Y41	A6-M11 HydrophobicContact CB-CG 3.66Å; A6-M11 HydrophobicContact CB-SD 4.4Å; T7-M11 PolarHBondContact O-N 3.26Å; P8-M11 PolarHBondContact O-N 3.13Å; Q9-M11 VanDerWaalsContact C-N 3.28Å; Q9-M11 PolarHBondContact O-N 2.62Å; M11-L15 VanDerWaalsContact O-CB 3.26Å; M11-L15 WeakPolarHBondContact O-CB 3.29Å; M11-L15 PolarHBondContact O-N 3Å; M11-V34 HydrophobicContact CB-CG1 4.19Å; M11-C37 HydrophobicContact SD-CB 3.57Å; M11-C37 VanDerWaalsContact SD-CB 3.57Å; M11-L38 HydrophobicContact CB-CD2 4.22Å; M11-L38 HydrophobicContact CE-CD2 3.64Å; M11-L38 HydrophobicContact CE-CG 4.42Å; M11-L38 HydrophobicContact SD-CD2 3.61Å; M11-L38 HydrophobicContact SD-CG 3.74Å; M11-Y41 HydrophobicContact CE-CD1 4.03Å; M11-Y41 HydrophobicContact CE-CD2 4.11Å; M11-Y41 HydrophobicContact CE-CG 3.75Å
12	K	90	Very high	78.9	Confident	64 Å²	64	71.1 Å²	71.1	28%	0.278	39%	0.391	S	S	.	.	H	α-helix	trans	-60.5	-46.9	171.2	175.9	-153.3	-178	-173.7	0	111.4	P8 Q9 L15 L16 T51 L53 L56	P8-K12 WeakPolarHBondContact O-CB 3.49Å; P8-K12 PolarHBondContact O-N 2.97Å; Q9-K12 WeakPolarHBondContact O-CA 3.47Å; Q9-K12 VanDerWaalsContact O-CB 3.32Å; Q9-K12 WeakPolarHBondContact O-CB 3.43Å; Q9-K12 PolarHBondContact O-N 3.4Å; Q9-K12 VanDerWaalsContact O-N 3.09Å; K12-L15 WeakPolarHBondContact O-CB 3.35Å; K12-L15 PolarHBondContact O-N 3.33Å; K12-L16 HydrophobicContact CG-CD1 4.11Å; K12-L16 WeakPolarHBondContact O-CG 3.47Å; K12-L16 PolarHBondContact O-N 3.25Å; K12-T51 WeakPolarHBondContact CD-O 3.33Å; K12-T51 VanDerWaalsContact CE-O 3.29Å; K12-T51 WeakPolarHBondContact CE-O 3.23Å; K12-L53 HydrophobicContact CB-CD2 3.96Å; K12-L53 HydrophobicContact CB-CG 4.22Å; K12-L56 HydrophobicContact CG-CD1 3.79Å
13	D	91.7	Very high	80.7	Confident	87 Å²	87	66.9 Å²	66.9	47%	0.465	37%	0.366	S	S	.	.	H	α-helix	trans	-70.3	-41.4	-175.2	-58.2	-26.1	0	0	0	111.7	Q9 L15 L16 Q17	Q9-D13 PolarHBondContact O-N 3.05Å; D13-L15 VanDerWaalsContact C-N 3.28Å; D13-L15 PolarHBondContact O-N 3.19Å; D13-L16 PolarHBondContact O-N 3.46Å; D13-Q17 WeakPolarHBondContact O-CB 3.39Å; D13-Q17 PolarHBondContact O-N 3.4Å
14	R	89.8	Confident	82.3	Confident	94 Å²	94	62.9 Å²	62.9	36%	0.355	34%	0.339	S	S	.	.	H	α-helix	trans	-63.8	-31.9	170.8	-72.7	-169.1	70.1	-165.7	-1.9	112.8	Q10 A18 V30 E33 V34	Q10-R14 WeakPolarHBondContact O-CB 3.24Å; Q10-R14 WeakPolarHBondContact O-CG 3.5Å; Q10-R14 PolarHBondContact O-N 2.92Å; R14-A18 WeakPolarHBondContact O-CB 3.29Å; R14-A18 PolarHBondContact O-N 2.87Å; R14-V30 HydrophobicContact CB-CG1 4.38Å; R14-E33 IonicContact CZ-OE1 3.18Å; R14-E33 IonicContact CZ-OE2 3.27Å; R14-E33 IonicContact NH1-OE1 2.7Å; R14-E33 PolarHBondContact NH1-OE1 2.86Å; R14-E33 IonicContact NH1-OE2 2.72Å; R14-E33 PolarHBondContact NH1-OE2 2.95Å; R14-E33 IonicContact NH2-OE1 2.68Å; R14-E33 IonicContact NH2-OE2 3.7Å; R14-E33 PolarHBondContact NH2-OE2 2.84Å; R14-V34 HydrophobicContact CB-CG2 3.8Å
15	L	90.8	Very high	84.1	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-70.8	-42.7	175.3	-165.7	63.5	0	0	0	111.7	M11 K12 D13 Q17 A18 I19 V31 V34 L53 L56 I57 V60	M11-L15 VanDerWaalsContact O-CB 3.26Å; M11-L15 WeakPolarHBondContact O-CB 3.29Å; M11-L15 PolarHBondContact O-N 3Å; K12-L15 WeakPolarHBondContact O-CB 3.35Å; K12-L15 PolarHBondContact O-N 3.33Å; D13-L15 VanDerWaalsContact C-N 3.28Å; D13-L15 PolarHBondContact O-N 3.19Å; L15-Q17 VanDerWaalsContact C-N 3.32Å; L15-Q17 PolarHBondContact O-N 2.65Å; L15-A18 PolarHBondContact O-N 2.87Å; L15-A18 VanDerWaalsContact O-N 3.14Å; L15-I19 WeakPolarHBondContact O-CG1 3.48Å; L15-I19 PolarHBondContact O-N 3.35Å; L15-V31 HydrophobicContact CD1-CG2 4.09Å; L15-V34 HydrophobicContact CB-CG1 4.29Å; L15-V34 HydrophobicContact CD1-CG1 4.22Å; L15-L53 HydrophobicContact CD2-CD2 4.21Å; L15-L56 HydrophobicContact CD2-CB 3.72Å; L15-I57 HydrophobicContact CD2-CD1 3.56Å; L15-I57 HydrophobicContact CD2-CG1 4.13Å; L15-V60 HydrophobicContact CD1-CG2 4.14Å; L15-V60 HydrophobicContact CG-CG2 4.42Å
16	L	89.8	Confident	85.6	Confident	79 Å²	79	63.6 Å²	63.6	41%	0.414	32%	0.318	S	S	.	.	H	α-helix	trans	-61.5	-38.7	174.3	-74.4	169	0	0	0	112	K12 D13 A18 I19 L56	K12-L16 HydrophobicContact CG-CD1 4.11Å; K12-L16 WeakPolarHBondContact O-CG 3.47Å; K12-L16 PolarHBondContact O-N 3.25Å; D13-L16 PolarHBondContact O-N 3.46Å; L16-A18 VanDerWaalsContact C-N 3.27Å; L16-A18 PolarHBondContact O-N 2.92Å; L16-I19 HydrophobicContact CD2-CD1 4.48Å; L16-L56 HydrophobicContact CD2-CD1 4.34Å; L16-L56 HydrophobicContact CD2-CD2 3.78Å; L16-L56 HydrophobicContact CG-CD1 4.32Å
17	Q	89.9	Confident	86.6	Confident	153 Å²	153	66 Å²	66	72%	0.715	33%	0.328	S	S	*	.	H	α-helix	trans	-65.7	-28.5	174.8	-169.4	65.2	35.4	0	0	113.1	D13 L15	D13-Q17 WeakPolarHBondContact O-CB 3.39Å; D13-Q17 PolarHBondContact O-N 3.4Å; L15-Q17 VanDerWaalsContact C-N 3.32Å; L15-Q17 PolarHBondContact O-N 2.65Å
18	A	87.9	Confident	86.7	Confident	2 Å²	2	66.5 Å²	66.5	2%	0.017	33%	0.327	C	S	.	.	H	α-helix	trans	-94.1	-5.8	-174.7	0	0	0	0	0	114.6	R14 L15 L16 R26 D27 V30 V31	R14-A18 WeakPolarHBondContact O-CB 3.29Å; R14-A18 PolarHBondContact O-N 2.87Å; L15-A18 PolarHBondContact O-N 2.87Å; L15-A18 VanDerWaalsContact O-N 3.14Å; L16-A18 VanDerWaalsContact C-N 3.27Å; L16-A18 PolarHBondContact O-N 2.92Å; A18-R26 WeakPolarHBondContact O-CB 3.35Å; A18-R26 PolarHBondContact O-N 2.96Å; A18-D27 HydrophobicContact CB-CB 4.14Å; A18-D27 PolarHBondContact O-N 2.83Å; A18-D27 VanDerWaalsContact O-N 3.1Å; A18-V30 HydrophobicContact CB-CB 3.99Å; A18-V30 HydrophobicContact CB-CG1 3.81Å; A18-V31 HydrophobicContact CB-CG2 3.88Å
19	I	90.5	Very high	86.9	Confident	13 Å²	13	69.4 Å²	69.4	7%	0.067	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-112.5	164.9	172.6	66.6	-176.5	0	0	0	111.1	L15 L16 N24 R26 L56 V60	L15-I19 WeakPolarHBondContact O-CG1 3.48Å; L15-I19 PolarHBondContact O-N 3.35Å; L16-I19 HydrophobicContact CD2-CD1 4.48Å; I19-N24 CarbonylContact C-O 3.6Å; I19-N24 VanDerWaalsContact CA-O 3.26Å; I19-N24 WeakPolarHBondContact CA-O 3.46Å; I19-R26 WeakPolarHBondContact O-CD 3.16Å; I19-L56 HydrophobicContact CD1-CD2 4.12Å; I19-V60 HydrophobicContact CG2-CG2 3.76Å
20	D	86.1	Confident	86.9	Confident	50 Å²	50	67.7 Å²	67.7	27%	0.267	35%	0.346	S	S	.	.			trans	-93.6	175.4	167.2	72	12.6	0	0	0	112	Q22 S23 N24 R26	D20-Q22 PolarHBondContact O-N 2.8Å; D20-Q22 VanDerWaalsContact O-N 3.13Å; D20-Q22 WeakPolarHBondContact OD1-CA 3.28Å; D20-Q22 WeakPolarHBondContact OD1-CB 3.32Å; D20-Q22 PolarHBondContact OD1-N 3.24Å; D20-S23 PolarHBondContact O-N 2.89Å; D20-S23 PolarHBondContact OD1-N 3.49Å; D20-N24 PolarHBondContact N-O 3.27Å; D20-N24 PolarHBondContact OD1-N 2.89Å; D20-N24 PolarHBondContact OD1-ND2 3.15Å; D20-N24 WeakPolarHBondContact OD2-CB 3.29Å; D20-N24 PolarHBondContact OD2-ND2 3.17Å; D20-R26 HydrophobicContact CB-CG 4.02Å
21	S	81.6	Confident	87	Confident	118 Å²	118	63.4 Å²	63.4	83%	0.825	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-10	176.1	50.8	0	0	0	0	114.1
22	Q	73.7	Confident	87	Confident	134 Å²	134	65.7 Å²	65.7	63%	0.626	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	12.6	174.5	-61.3	-64	-30.9	0	0	112	D20 N24	D20-Q22 PolarHBondContact O-N 2.8Å; D20-Q22 VanDerWaalsContact O-N 3.13Å; D20-Q22 WeakPolarHBondContact OD1-CA 3.28Å; D20-Q22 WeakPolarHBondContact OD1-CB 3.32Å; D20-Q22 PolarHBondContact OD1-N 3.24Å; Q22-N24 WeakPolarHBondContact CB-ND2 3.26Å; Q22-N24 PolarHBondContact O-N 3.22Å
23	S	79.1	Confident	87	Confident	31 Å²	31	66.7 Å²	66.7	22%	0.217	34%	0.344	C	S	.	.			trans	60.2	14.6	-177.1	-53.5	0	0	0	0	115.9	D20 K63	D20-S23 PolarHBondContact O-N 2.89Å; D20-S23 PolarHBondContact OD1-N 3.49Å; S23-K63 WeakPolarHBondContact O-CB 3.5Å; S23-K63 WeakPolarHBondContact O-CG 3.39Å
24	N	82.9	Confident	87	Confident	59 Å²	59	62.6 Å²	62.6	32%	0.316	32%	0.322	S	S	.	.			trans	-71.9	144.9	171.2	-47	-60.2	0	0	0	109.7	I19 D20 Q22 R26 K63	I19-N24 CarbonylContact C-O 3.6Å; I19-N24 VanDerWaalsContact CA-O 3.26Å; I19-N24 WeakPolarHBondContact CA-O 3.46Å; D20-N24 PolarHBondContact N-O 3.27Å; D20-N24 PolarHBondContact OD1-N 2.89Å; D20-N24 PolarHBondContact OD1-ND2 3.15Å; D20-N24 WeakPolarHBondContact OD2-CB 3.29Å; D20-N24 PolarHBondContact OD2-ND2 3.17Å; Q22-N24 WeakPolarHBondContact CB-ND2 3.26Å; Q22-N24 PolarHBondContact O-N 3.22Å; N24-R26 PolarHBondContact O-N 3.43Å; N24-K63 WeakPolarHBondContact OD1-CD 3.46Å; N24-K63 WeakPolarHBondContact OD1-CE 3.25Å; N24-K63 PolarHBondContact OD1-NZ 2.79Å
25	I	86.6	Confident	87.1	Confident	32 Å²	32	58.1 Å²	58.1	16%	0.164	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-78.5	117.7	-179.5	-62.2	166.9	0	0	0	109.3	M28 V31 V60 A64 L69	I25-M28 HydrophobicContact CB-CE 4.21Å; I25-M28 HydrophobicContact CD1-CE 3.89Å; I25-M28 HydrophobicContact CD1-SD 4.34Å; I25-M28 HydrophobicContact CG2-CB 4.37Å; I25-M28 HydrophobicContact CG2-CE 3.79Å; I25-M28 HydrophobicContact CG2-SD 4.25Å; I25-V31 HydrophobicContact CD1-CG1 4.46Å; I25-V31 HydrophobicContact CG1-CG2 4.47Å; I25-V31 HydrophobicContact CG2-CB 4.39Å; I25-V31 HydrophobicContact CG2-CG2 3.89Å; I25-V60 HydrophobicContact CD1-CG1 4.15Å; I25-A64 HydrophobicContact CD1-CB 4.17Å; I25-L69 HydrophobicContact CD1-CD2 3.88Å
26	R	84.5	Confident	87.2	Confident	183 Å²	183	59.9 Å²	59.9	69%	0.691	32%	0.32	S	S	*	.	S	Bend	trans	-88.3	-42.1	175.1	-58.3	178.3	70.9	-174.4	1.8	111.6	A18 I19 D20 N24	A18-R26 WeakPolarHBondContact O-CB 3.35Å; A18-R26 PolarHBondContact O-N 2.96Å; I19-R26 WeakPolarHBondContact O-CD 3.16Å; D20-R26 HydrophobicContact CB-CG 4.02Å; N24-R26 PolarHBondContact O-N 3.43Å
27	D	88.5	Confident	87.2	Confident	67 Å²	67	58.1 Å²	58.1	36%	0.358	31%	0.314	S	S	.	.			trans	-121.5	102.3	178.6	-170.8	-32.7	0	0	0	110.4	A18 A29 V30 V31	A18-D27 HydrophobicContact CB-CB 4.14Å; A18-D27 PolarHBondContact O-N 2.83Å; A18-D27 VanDerWaalsContact O-N 3.1Å; D27-A29 VanDerWaalsContact C-N 3.32Å; D27-A29 PolarHBondContact O-N 2.95Å; D27-A29 WeakPolarHBondContact OD1-CA 3.36Å; D27-A29 WeakPolarHBondContact OD1-CB 3.43Å; D27-A29 PolarHBondContact OD1-N 2.83Å; D27-V30 HydrophobicContact CB-CB 4.25Å; D27-V30 HydrophobicContact CB-CG2 4.41Å; D27-V30 PolarHBondContact OD1-N 3.05Å; D27-V30 WeakPolarHBondContact OD2-CG2 3.35Å; D27-V31 VanDerWaalsContact O-CG2 3.32Å; D27-V31 WeakPolarHBondContact O-CG2 3.46Å; D27-V31 PolarHBondContact O-N 3.31Å
28	M	86.8	Confident	87.2	Confident	67 Å²	67	51 Å²	51	33%	0.33	28%	0.28	S	S	.	.	H	α-helix	trans	-69	-29.1	178.9	-169.5	62.4	63.9	0	0	112.5	I25 L32 L69	I25-M28 HydrophobicContact CB-CE 4.21Å; I25-M28 HydrophobicContact CD1-CE 3.89Å; I25-M28 HydrophobicContact CD1-SD 4.34Å; I25-M28 HydrophobicContact CG2-CB 4.37Å; I25-M28 HydrophobicContact CG2-CE 3.79Å; I25-M28 HydrophobicContact CG2-SD 4.25Å; M28-L32 HydrophobicContact CG-CD1 4.11Å; M28-L32 WeakPolarHBondContact O-CB 3.28Å; M28-L32 WeakPolarHBondContact O-CD1 3.44Å; M28-L32 WeakPolarHBondContact O-CG 3.41Å; M28-L32 PolarHBondContact O-N 3.07Å; M28-L69 HydrophobicContact SD-CD2 3.55Å; M28-L69 VanDerWaalsContact SD-CD2 3.55Å
29	A	87.1	Confident	87.3	Confident	68 Å²	68	54.5 Å²	54.5	56%	0.562	30%	0.296	S	S	*	.	H	α-helix	trans	-73.6	-45.6	-178.2	0	0	0	0	0	110.9	D27 L32 E33	D27-A29 VanDerWaalsContact C-N 3.32Å; D27-A29 PolarHBondContact O-N 2.95Å; D27-A29 WeakPolarHBondContact OD1-CA 3.36Å; D27-A29 WeakPolarHBondContact OD1-CB 3.43Å; D27-A29 PolarHBondContact OD1-N 2.83Å; A29-L32 PolarHBondContact O-N 3Å; A29-E33 PolarHBondContact O-N 2.79Å
30	V	89.6	Confident	87.2	Confident	27 Å²	27	62.5 Å²	62.5	16%	0.164	33%	0.331	C	S	.	.	H	α-helix	trans	-65.6	-39.4	175.3	175.3	0	0	0	0	111.2	R14 A18 D27 L32 E33 V34	R14-V30 HydrophobicContact CB-CG1 4.38Å; A18-V30 HydrophobicContact CB-CB 3.99Å; A18-V30 HydrophobicContact CB-CG1 3.81Å; D27-V30 HydrophobicContact CB-CB 4.25Å; D27-V30 HydrophobicContact CB-CG2 4.41Å; D27-V30 PolarHBondContact OD1-N 3.05Å; D27-V30 WeakPolarHBondContact OD2-CG2 3.35Å; V30-L32 PolarHBondContact O-N 2.9Å; V30-E33 PolarHBondContact O-N 2.6Å; V30-V34 HydrophobicContact CG1-CG2 4.23Å; V30-V34 WeakPolarHBondContact O-CB 3.28Å; V30-V34 WeakPolarHBondContact O-CG2 3.36Å; V30-V34 PolarHBondContact O-N 2.96Å
31	V	90.3	Very high	87.2	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.7	-44.1	173.3	168	0	0	0	0	111.6	L15 A18 I25 D27 V34 I35 V60 L69	L15-V31 HydrophobicContact CD1-CG2 4.09Å; A18-V31 HydrophobicContact CB-CG2 3.88Å; I25-V31 HydrophobicContact CD1-CG1 4.46Å; I25-V31 HydrophobicContact CG1-CG2 4.47Å; I25-V31 HydrophobicContact CG2-CB 4.39Å; I25-V31 HydrophobicContact CG2-CG2 3.89Å; D27-V31 VanDerWaalsContact O-CG2 3.32Å; D27-V31 WeakPolarHBondContact O-CG2 3.46Å; D27-V31 PolarHBondContact O-N 3.31Å; V31-V34 PolarHBondContact O-N 2.88Å; V31-I35 HydrophobicContact CG1-CG1 4.34Å; V31-I35 WeakPolarHBondContact O-CB 3.47Å; V31-I35 WeakPolarHBondContact O-CG1 3.26Å; V31-I35 PolarHBondContact O-N 3.49Å; V31-V60 HydrophobicContact CG1-CG1 3.76Å; V31-L69 HydrophobicContact CG1-CD1 3.94Å; V31-L69 HydrophobicContact CG1-CD2 3.75Å
32	L	89.6	Confident	87.1	Confident	52 Å²	52	64 Å²	64	27%	0.272	33%	0.33	S	S	.	.	H	α-helix	trans	-64.8	-38.9	177.1	-76.3	167	0	0	0	112.5	M28 A29 V30 A36 L69	M28-L32 HydrophobicContact CG-CD1 4.11Å; M28-L32 WeakPolarHBondContact O-CB 3.28Å; M28-L32 WeakPolarHBondContact O-CD1 3.44Å; M28-L32 WeakPolarHBondContact O-CG 3.41Å; M28-L32 PolarHBondContact O-N 3.07Å; A29-L32 PolarHBondContact O-N 3Å; V30-L32 PolarHBondContact O-N 2.9Å; L32-A36 WeakPolarHBondContact O-CB 3.33Å; L32-A36 PolarHBondContact O-N 2.86Å; L32-L69 HydrophobicContact CD2-CB 4.34Å; L32-L69 HydrophobicContact CD2-CD1 4.32Å
33	E	91.1	Very high	87.7	Confident	84 Å²	84	58.1 Å²	58.1	39%	0.393	30%	0.302	S	S	.	.	H	α-helix	trans	-64.4	-50.4	175.3	-166.5	-165.4	151.3	0	0	111.3	R14 A29 V30 I35 A36 C37	R14-E33 IonicContact CZ-OE1 3.18Å; R14-E33 IonicContact CZ-OE2 3.27Å; R14-E33 IonicContact NH1-OE1 2.7Å; R14-E33 PolarHBondContact NH1-OE1 2.86Å; R14-E33 IonicContact NH1-OE2 2.72Å; R14-E33 PolarHBondContact NH1-OE2 2.95Å; R14-E33 IonicContact NH2-OE1 2.68Å; R14-E33 IonicContact NH2-OE2 3.7Å; R14-E33 PolarHBondContact NH2-OE2 2.84Å; A29-E33 PolarHBondContact O-N 2.79Å; V30-E33 PolarHBondContact O-N 2.6Å; E33-I35 VanDerWaalsContact C-N 3.33Å; E33-I35 PolarHBondContact O-N 2.79Å; E33-A36 PolarHBondContact O-N 2.98Å; E33-A36 VanDerWaalsContact O-N 3.1Å; E33-C37 PolarHBondContact O-N 2.68Å; E33-C37 PolarHBondContact O-SG 3.13Å; E33-C37 VanDerWaalsContact O-SG 3.42Å
34	V	91.8	Very high	88.2	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.012	32%	0.315	C	S	.	.	H	α-helix	trans	-61.5	-40.7	179.3	170.3	0	0	0	0	111.4	M11 R14 L15 V30 V31 C37 L38	M11-V34 HydrophobicContact CB-CG1 4.19Å; R14-V34 HydrophobicContact CB-CG2 3.8Å; L15-V34 HydrophobicContact CB-CG1 4.29Å; L15-V34 HydrophobicContact CD1-CG1 4.22Å; V30-V34 HydrophobicContact CG1-CG2 4.23Å; V30-V34 WeakPolarHBondContact O-CB 3.28Å; V30-V34 WeakPolarHBondContact O-CG2 3.36Å; V30-V34 PolarHBondContact O-N 2.96Å; V31-V34 PolarHBondContact O-N 2.88Å; V34-C37 WeakPolarHBondContact O-CB 3.4Å; V34-C37 PolarHBondContact O-N 3.21Å; V34-L38 HydrophobicContact CG1-CD1 3.78Å; V34-L38 HydrophobicContact CG1-CG 4.38Å; V34-L38 WeakPolarHBondContact O-CB 3.33Å; V34-L38 VanDerWaalsContact O-CG 3.27Å; V34-L38 WeakPolarHBondContact O-CG 3.33Å; V34-L38 PolarHBondContact O-N 2.94Å
35	I	91.6	Very high	88.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.9	-43.4	173.7	-71	-83.1	0	0	0	111.1	V31 E33 C37 L38 E39 I57 L69 R72 A73 L76	V31-I35 HydrophobicContact CG1-CG1 4.34Å; V31-I35 WeakPolarHBondContact O-CB 3.47Å; V31-I35 WeakPolarHBondContact O-CG1 3.26Å; V31-I35 PolarHBondContact O-N 3.49Å; E33-I35 VanDerWaalsContact C-N 3.33Å; E33-I35 PolarHBondContact O-N 2.79Å; I35-C37 VanDerWaalsContact C-N 3.3Å; I35-C37 PolarHBondContact O-N 3Å; I35-L38 PolarHBondContact O-N 2.88Å; I35-E39 WeakPolarHBondContact O-CG 3.39Å; I35-E39 PolarHBondContact O-N 3.03Å; I35-I57 HydrophobicContact CD1-CD1 3.64Å; I35-I57 HydrophobicContact CD1-CG2 4.33Å; I35-L69 HydrophobicContact CB-CD1 4.36Å; I35-L69 HydrophobicContact CD1-CD1 4.21Å; I35-L69 HydrophobicContact CG1-CD1 3.73Å; I35-L69 HydrophobicContact CG2-CD1 4.37Å; I35-R72 HydrophobicContact CG2-CB 3.99Å; I35-A73 HydrophobicContact CD1-CB 4.17Å; I35-L76 HydrophobicContact CD1-CD1 3.91Å; I35-L76 HydrophobicContact CG2-CD1 4.39Å
36	A	91.8	Very high	88.3	Confident	37 Å²	37	67.3 Å²	67.3	31%	0.306	34%	0.343	S	S	.	.	H	α-helix	trans	-68.1	-27.4	177.8	0	0	0	0	0	113.4	L32 E33 K40	L32-A36 WeakPolarHBondContact O-CB 3.33Å; L32-A36 PolarHBondContact O-N 2.86Å; E33-A36 PolarHBondContact O-N 2.98Å; E33-A36 VanDerWaalsContact O-N 3.1Å; A36-K40 WeakPolarHBondContact O-CG 3.22Å
37	C	90	Very high	88.5	Confident	42 Å²	42	59.3 Å²	59.3	28%	0.284	32%	0.316	S	S	.	.	H	α-helix	trans	-70.1	-48.1	168.1	-68.9	0	0	0	0	111.2	M11 E33 V34 I35 E39 K40 Y41	M11-C37 HydrophobicContact SD-CB 3.57Å; M11-C37 VanDerWaalsContact SD-CB 3.57Å; E33-C37 PolarHBondContact O-N 2.68Å; E33-C37 PolarHBondContact O-SG 3.13Å; E33-C37 VanDerWaalsContact O-SG 3.42Å; V34-C37 WeakPolarHBondContact O-CB 3.4Å; V34-C37 PolarHBondContact O-N 3.21Å; I35-C37 VanDerWaalsContact C-N 3.3Å; I35-C37 PolarHBondContact O-N 3Å; C37-E39 VanDerWaalsContact C-N 3.29Å; C37-E39 PolarHBondContact O-N 2.82Å; C37-K40 CarbonylContact O-C 3.48Å; C37-K40 PolarHBondContact O-N 3.34Å; C37-Y41 WeakPolarHBondContact O-CB 3.2Å; C37-Y41 PolarHBondContact O-N 3.38Å
38	L	89.9	Confident	88.6	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-28.4	178.7	-70.1	165.7	0	0	0	113.4	M11 V34 I35 K40 L53 I57 L76 W80	M11-L38 HydrophobicContact CB-CD2 4.22Å; M11-L38 HydrophobicContact CE-CD2 3.64Å; M11-L38 HydrophobicContact CE-CG 4.42Å; M11-L38 HydrophobicContact SD-CD2 3.61Å; M11-L38 HydrophobicContact SD-CG 3.74Å; V34-L38 HydrophobicContact CG1-CD1 3.78Å; V34-L38 HydrophobicContact CG1-CG 4.38Å; V34-L38 WeakPolarHBondContact O-CB 3.33Å; V34-L38 VanDerWaalsContact O-CG 3.27Å; V34-L38 WeakPolarHBondContact O-CG 3.33Å; V34-L38 PolarHBondContact O-N 2.94Å; I35-L38 PolarHBondContact O-N 2.88Å; L38-K40 VanDerWaalsContact C-N 3.28Å; L38-L53 HydrophobicContact CD2-CD1 3.92Å; L38-I57 HydrophobicContact CD1-CD1 3.53Å; L38-I57 HydrophobicContact CD1-CG1 4.2Å; L38-L76 HydrophobicContact CB-CD1 3.89Å; L38-L76 HydrophobicContact CB-CD2 4.35Å; L38-L76 WeakPolarHBondContact O-CD2 3.38Å; L38-W80 HydrophobicContact CB-CH2 4.41Å; L38-W80 HydrophobicContact CB-CZ2 4.18Å; L38-W80 HydrophobicContact CD1-CH2 4.19Å; L38-W80 HydrophobicContact CD2-CH2 4.04Å; L38-W80 HydrophobicContact CD2-CZ2 4.04Å; L38-W80 HydrophobicContact CG-CH2 4.45Å
39	E	90.8	Very high	88.7	Confident	75 Å²	75	57 Å²	57	35%	0.35	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-20.1	172.2	-76.3	-168.5	127.6	0	0	113.5	I35 C37 R72 L76	I35-E39 WeakPolarHBondContact O-CG 3.39Å; I35-E39 PolarHBondContact O-N 3.03Å; C37-E39 VanDerWaalsContact C-N 3.29Å; C37-E39 PolarHBondContact O-N 2.82Å; E39-R72 WeakPolarHBondContact OE1-CG 3.42Å; E39-L76 HydrophobicContact CB-CD2 4.42Å; E39-L76 HydrophobicContact CG-CD1 4.25Å; E39-L76 HydrophobicContact CG-CD2 3.81Å; E39-L76 HydrophobicContact CG-CG 4.03Å
40	K	87.4	Confident	88.7	Confident	181 Å²	181	59.7 Å²	59.7	79%	0.787	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-21.8	178.2	-66.6	175.2	-176.9	177.8	0	113.2	A36 C37 L38	A36-K40 WeakPolarHBondContact O-CG 3.22Å; C37-K40 CarbonylContact O-C 3.48Å; C37-K40 PolarHBondContact O-N 3.34Å; L38-K40 VanDerWaalsContact C-N 3.28Å
41	Y	85.6	Confident	88.8	Confident	87 Å²	87	58.5 Å²	58.5	34%	0.341	30%	0.297	S	S	.	.	S	Bend	trans	-88.2	119.7	-175.3	-168.9	-85	0	0	0	111.8	P8 M11 C37 I43	P8-Y41 HydrophobicContact CG-CD1 4.39Å; P8-Y41 HydrophobicContact CG-CE1 3.61Å; M11-Y41 HydrophobicContact CE-CD1 4.03Å; M11-Y41 HydrophobicContact CE-CD2 4.11Å; M11-Y41 HydrophobicContact CE-CG 3.75Å; C37-Y41 WeakPolarHBondContact O-CB 3.2Å; C37-Y41 PolarHBondContact O-N 3.38Å; Y41-I43 HydrophobicContact CD1-CB 4.16Å; Y41-I43 HydrophobicContact CE1-CB 4.42Å; Y41-I43 PolarHBondContact O-N 2.84Å
42	P	81	Confident	88.9	Confident	113 Å²	113	67.2 Å²	67.2	73%	0.734	33%	0.329	S	S	*	.			trans	-76.4	87.1	174.8	31.9	-33.6	0	0	0	110.5
43	I	86.1	Confident	89	Confident	9 Å²	9	64.7 Å²	64.7	5%	0.046	32%	0.316	C	S	.	.			trans	-70.4	140.1	176.5	-158.2	168.3	0	0	0	111.2	P8 Y41 A47 L48 L53 W80 L83	P8-I43 HydrophobicContact CB-CD1 4.14Å; P8-I43 HydrophobicContact CG-CD1 4.41Å; P8-I43 HydrophobicContact CG-CG1 4.32Å; Y41-I43 HydrophobicContact CD1-CB 4.16Å; Y41-I43 HydrophobicContact CE1-CB 4.42Å; Y41-I43 PolarHBondContact O-N 2.84Å; I43-A47 HydrophobicContact CG1-CB 4.05Å; I43-L48 HydrophobicContact CD1-CB 3.95Å; I43-L48 HydrophobicContact CD1-CD1 4.27Å; I43-L48 HydrophobicContact CG1-CB 4.24Å; I43-L48 HydrophobicContact CG2-CB 4.46Å; I43-L53 HydrophobicContact CD1-CD1 3.85Å; I43-W80 HydrophobicContact CG2-CD2 4.42Å; I43-W80 HydrophobicContact CG2-CG 4.37Å; I43-W80 HydrophobicContact CG2-CZ2 4.31Å; I43-W80 VanDerWaalsContact CG2-NE1 3.34Å; I43-L83 HydrophobicContact CG2-CD1 4.46Å; I43-L83 WeakPolarHBondContact O-CD1 3.48Å
44	T	88.3	Confident	89.1	Confident	80 Å²	80	62 Å²	62	49%	0.491	31%	0.311	S	S	.	.			trans	-82.5	163.5	171.8	61.3	0	0	0	0	111	A47 L48	T44-A47 VanDerWaalsContact OG1-CB 3.32Å; T44-A47 WeakPolarHBondContact OG1-CB 3.44Å; T44-A47 PolarHBondContact OG1-N 3.49Å; T44-L48 WeakPolarHBondContact O-CB 3.48Å; T44-L48 PolarHBondContact O-N 3.1Å; T44-L48 VanDerWaalsContact O-N 3.11Å
45	K	87.2	Confident	89.1	Confident	81 Å²	81	68.9 Å²	68.9	35%	0.352	34%	0.341	S	S	.	.	H	α-helix	trans	-56.4	-51.4	174.4	-179.6	-178.6	177.9	163.3	0	111.3	A47 L48 E49 L83 I84	K45-A47 PolarHBondContact O-N 3.2Å; K45-L48 WeakPolarHBondContact O-CB 3.16Å; K45-L48 PolarHBondContact O-N 2.81Å; K45-E49 VanDerWaalsContact CE-CD 3.45Å; K45-E49 WeakPolarHBondContact CE-OE1 3.43Å; K45-E49 WeakPolarHBondContact CE-OE2 3.33Å; K45-E49 IonicContact NZ-OE1 3.66Å; K45-E49 WeakPolarHBondContact O-CG 3.14Å; K45-E49 PolarHBondContact O-N 3.31Å; K45-L83 WeakPolarHBondContact CD-O 3.42Å; K45-I84 HydrophobicContact CG-CG1 4.4Å; K45-I84 PolarHBondContact NZ-O 3.19Å
46	E	86.3	Confident	89.1	Confident	154 Å²	154	70.2 Å²	70.2	72%	0.72	35%	0.348	S	S	*	.	H	α-helix	trans	-58.6	-50.2	-178.2	-67.5	158	-163.6	0	0	111.7	L48 E49 E50	E46-L48 VanDerWaalsContact C-N 3.27Å; E46-L48 PolarHBondContact O-N 3.19Å; E46-E49 PolarHBondContact O-N 3.44Å; E46-E49 VanDerWaalsContact O-N 3.15Å; E46-E50 WeakPolarHBondContact O-CB 3.33Å; E46-E50 PolarHBondContact O-N 2.93Å
47	A	87.4	Confident	89.1	Confident	15 Å²	15	68.4 Å²	68.4	12%	0.124	33%	0.333	C	S	.	.	H	α-helix	trans	-64.2	-30.8	179	0	0	0	0	0	112.8	P8 I43 T44 K45 T51	P8-A47 HydrophobicContact CG-CB 4.34Å; I43-A47 HydrophobicContact CG1-CB 4.05Å; T44-A47 VanDerWaalsContact OG1-CB 3.32Å; T44-A47 WeakPolarHBondContact OG1-CB 3.44Å; T44-A47 PolarHBondContact OG1-N 3.49Å; K45-A47 PolarHBondContact O-N 3.2Å; A47-T51 VanDerWaalsContact O-CB 3.3Å; A47-T51 WeakPolarHBondContact O-CB 3.41Å; A47-T51 VanDerWaalsContact O-CG2 3.24Å; A47-T51 WeakPolarHBondContact O-CG2 3.25Å; A47-T51 PolarHBondContact O-N 2.93Å; A47-T51 PolarHBondContact O-OG1 2.88Å
48	L	90.7	Very high	89.3	Confident	6 Å²	6	68.7 Å²	68.7	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-71.6	-37.8	174.9	174.3	65.8	0	0	0	112.3	I43 T44 K45 E46 R52 L53 W80 I84	I43-L48 HydrophobicContact CD1-CB 3.95Å; I43-L48 HydrophobicContact CD1-CD1 4.27Å; I43-L48 HydrophobicContact CG1-CB 4.24Å; I43-L48 HydrophobicContact CG2-CB 4.46Å; T44-L48 WeakPolarHBondContact O-CB 3.48Å; T44-L48 PolarHBondContact O-N 3.1Å; T44-L48 VanDerWaalsContact O-N 3.11Å; K45-L48 WeakPolarHBondContact O-CB 3.16Å; K45-L48 PolarHBondContact O-N 2.81Å; E46-L48 VanDerWaalsContact C-N 3.27Å; E46-L48 PolarHBondContact O-N 3.19Å; L48-R52 PolarHBondContact O-N 3.31Å; L48-L53 HydrophobicContact CD1-CB 4.07Å; L48-W80 HydrophobicContact CD1-CD2 4Å; L48-W80 HydrophobicContact CD1-CE3 3.58Å; L48-W80 HydrophobicContact CD1-CZ3 3.92Å; L48-W80 HydrophobicContact CD2-CB 3.63Å; L48-W80 HydrophobicContact CD2-CD2 4.32Å; L48-W80 HydrophobicContact CD2-CE3 4.48Å; L48-W80 HydrophobicContact CD2-CG 3.99Å; L48-I84 HydrophobicContact CD2-CD1 3.72Å; L48-I84 HydrophobicContact CD2-CG1 4.04Å; L48-I84 HydrophobicContact CG-CD1 4.5Å
49	E	88.7	Confident	89.4	Confident	80 Å²	80	69.6 Å²	69.6	37%	0.374	34%	0.336	S	S	.	.	H	α-helix	trans	-73.5	-41.3	177.7	-72.1	174.9	166.2	0	0	111.5	K45 E46 R52	K45-E49 VanDerWaalsContact CE-CD 3.45Å; K45-E49 WeakPolarHBondContact CE-OE1 3.43Å; K45-E49 WeakPolarHBondContact CE-OE2 3.33Å; K45-E49 IonicContact NZ-OE1 3.66Å; K45-E49 WeakPolarHBondContact O-CG 3.14Å; K45-E49 PolarHBondContact O-N 3.31Å; E46-E49 PolarHBondContact O-N 3.44Å; E46-E49 VanDerWaalsContact O-N 3.15Å; E49-R52 WeakPolarHBondContact O-CD 3.45Å; E49-R52 PolarHBondContact O-NE 3.39Å; E49-R52 VanDerWaalsContact O-NE 3.08Å
50	E	88.5	Confident	89.4	Confident	125 Å²	125	66 Å²	66	58%	0.584	32%	0.32	S	S	*	.	H	α-helix	trans	-63.6	-53.3	174.5	-171.9	-143	130	0	0	112	Q9 E46 R52	Q9-E50 VanDerWaalsContact NE2-CD 3.3Å; Q9-E50 PolarHBondContact NE2-OE1 3.23Å; Q9-E50 PolarHBondContact NE2-OE2 3.38Å; E46-E50 WeakPolarHBondContact O-CB 3.33Å; E46-E50 PolarHBondContact O-N 2.93Å; E50-R52 PolarHBondContact O-N 2.77Å
51	T	91.2	Very high	89.6	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-72.1	-17.4	-177.8	58.2	0	0	0	0	114	P8 Q9 K12 A47 L53	P8-T51 HydrophobicContact CB-CG2 3.74Å; Q9-T51 HydrophobicContact CG-CG2 4.07Å; K12-T51 WeakPolarHBondContact CD-O 3.33Å; K12-T51 VanDerWaalsContact CE-O 3.29Å; K12-T51 WeakPolarHBondContact CE-O 3.23Å; A47-T51 VanDerWaalsContact O-CB 3.3Å; A47-T51 WeakPolarHBondContact O-CB 3.41Å; A47-T51 VanDerWaalsContact O-CG2 3.24Å; A47-T51 WeakPolarHBondContact O-CG2 3.25Å; A47-T51 PolarHBondContact O-N 2.93Å; A47-T51 PolarHBondContact O-OG1 2.88Å; T51-L53 PolarHBondContact O-N 3.48Å; T51-L53 WeakPolarHBondContact OG1-CD1 3.18Å; T51-L53 WeakPolarHBondContact OG1-CG 3.33Å
52	R	92	Very high	89.8	Confident	183 Å²	183	64.2 Å²	64.2	69%	0.691	31%	0.311	S	S	*	.			trans	57	20.6	-173.7	-55.5	-70.1	177.2	157.3	2.1	114.1	L48 E49 E50 G54 K55	L48-R52 PolarHBondContact O-N 3.31Å; E49-R52 WeakPolarHBondContact O-CD 3.45Å; E49-R52 PolarHBondContact O-NE 3.39Å; E49-R52 VanDerWaalsContact O-NE 3.08Å; E50-R52 PolarHBondContact O-N 2.77Å; R52-G54 PolarHBondContact O-N 3.29Å; R52-G54 VanDerWaalsContact O-N 3.07Å; R52-K55 PolarHBondContact O-N 3.19Å
53	L	91.8	Very high	90.1	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-53.3	-32	-179.6	-85.3	169.2	0	0	0	113.1	P8 K12 L15 L38 I43 L48 T51 K55 L56 I57 W80	P8-L53 HydrophobicContact CB-CD1 4.38Å; K12-L53 HydrophobicContact CB-CD2 3.96Å; K12-L53 HydrophobicContact CB-CG 4.22Å; L15-L53 HydrophobicContact CD2-CD2 4.21Å; L38-L53 HydrophobicContact CD2-CD1 3.92Å; I43-L53 HydrophobicContact CD1-CD1 3.85Å; L48-L53 HydrophobicContact CD1-CB 4.07Å; T51-L53 PolarHBondContact O-N 3.48Å; T51-L53 WeakPolarHBondContact OG1-CD1 3.18Å; T51-L53 WeakPolarHBondContact OG1-CG 3.33Å; L53-K55 VanDerWaalsContact C-N 3.26Å; L53-K55 PolarHBondContact O-N 3.34Å; L53-L56 PolarHBondContact O-N 3.06Å; L53-I57 WeakPolarHBondContact O-CB 3.31Å; L53-I57 VanDerWaalsContact O-CG1 3.26Å; L53-I57 WeakPolarHBondContact O-CG1 3.15Å; L53-I57 PolarHBondContact O-N 3.4Å; L53-W80 HydrophobicContact CB-CH2 4.4Å; L53-W80 HydrophobicContact CB-CZ3 4.27Å
54	G	92.7	Very high	90.2	Very high	27 Å²	27	64 Å²	64	28%	0.278	30%	0.302	S	S	.	.	H	α-helix	trans	-57.9	-32	175.8	0	0	0	0	0	114.6	R52 N58 L77	R52-G54 PolarHBondContact O-N 3.29Å; R52-G54 VanDerWaalsContact O-N 3.07Å; G54-N58 WeakPolarHBondContact O-CB 3.17Å; G54-N58 PolarHBondContact O-N 2.82Å; G54-L77 WeakPolarHBondContact O-CD2 3.49Å
55	K	92.3	Very high	90.1	Very high	147 Å²	147	66 Å²	66	64%	0.639	32%	0.319	S	S	*	.	H	α-helix	trans	-74.1	-54.2	172.9	-178.9	179.6	176.3	-175.1	0	110.5	R52 L53 I57 N58 D59	R52-K55 PolarHBondContact O-N 3.19Å; L53-K55 VanDerWaalsContact C-N 3.26Å; L53-K55 PolarHBondContact O-N 3.34Å; K55-I57 VanDerWaalsContact C-N 3.33Å; K55-I57 PolarHBondContact O-N 2.88Å; K55-N58 WeakPolarHBondContact O-CA 3.38Å; K55-N58 WeakPolarHBondContact O-CB 3.42Å; K55-N58 PolarHBondContact O-N 3.49Å; K55-D59 WeakPolarHBondContact CE-OD2 3.46Å; K55-D59 VanDerWaalsContact CG-OD2 3.32Å; K55-D59 WeakPolarHBondContact CG-OD2 3.4Å; K55-D59 PolarHBondContact O-N 3.08Å
56	L	91.4	Very high	90.1	Very high	27 Å²	27	65.2 Å²	65.2	14%	0.141	32%	0.319	C	S	.	.	H	α-helix	trans	-56.1	-45.3	-176.1	-64.4	168.7	0	0	0	112	K12 L15 L16 I19 L53 N58 D59 V60	K12-L56 HydrophobicContact CG-CD1 3.79Å; L15-L56 HydrophobicContact CD2-CB 3.72Å; L16-L56 HydrophobicContact CD2-CD1 4.34Å; L16-L56 HydrophobicContact CD2-CD2 3.78Å; L16-L56 HydrophobicContact CG-CD1 4.32Å; I19-L56 HydrophobicContact CD1-CD2 4.12Å; L53-L56 PolarHBondContact O-N 3.06Å; L56-N58 VanDerWaalsContact C-N 3.32Å; L56-N58 PolarHBondContact O-N 3.37Å; L56-D59 PolarHBondContact O-N 2.68Å; L56-V60 WeakPolarHBondContact O-CB 3.41Å; L56-V60 VanDerWaalsContact O-CG2 3.27Å; L56-V60 WeakPolarHBondContact O-CG2 3.46Å; L56-V60 PolarHBondContact O-N 2.96Å
57	I	92.7	Very high	90.3	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-68.8	-30.2	178.9	-62.8	-70	0	0	0	112.1	L15 I35 L38 L53 K55 R61 A73 L76 L77 W80	L15-I57 HydrophobicContact CD2-CD1 3.56Å; L15-I57 HydrophobicContact CD2-CG1 4.13Å; I35-I57 HydrophobicContact CD1-CD1 3.64Å; I35-I57 HydrophobicContact CD1-CG2 4.33Å; L38-I57 HydrophobicContact CD1-CD1 3.53Å; L38-I57 HydrophobicContact CD1-CG1 4.2Å; L53-I57 WeakPolarHBondContact O-CB 3.31Å; L53-I57 VanDerWaalsContact O-CG1 3.26Å; L53-I57 WeakPolarHBondContact O-CG1 3.15Å; L53-I57 PolarHBondContact O-N 3.4Å; K55-I57 VanDerWaalsContact C-N 3.33Å; K55-I57 PolarHBondContact O-N 2.88Å; I57-R61 VanDerWaalsContact O-CB 3.27Å; I57-R61 WeakPolarHBondContact O-CB 3.27Å; I57-R61 PolarHBondContact O-N 2.82Å; I57-A73 HydrophobicContact CG2-CB 3.86Å; I57-L76 HydrophobicContact CG2-CD1 4.46Å; I57-L77 HydrophobicContact CB-CD2 4.44Å; I57-L77 HydrophobicContact CG2-CD1 4.44Å; I57-L77 HydrophobicContact CG2-CD2 4.31Å; I57-L77 HydrophobicContact CG2-CG 4.14Å; I57-W80 HydrophobicContact CB-CZ3 4.18Å; I57-W80 HydrophobicContact CG1-CH2 4.03Å; I57-W80 HydrophobicContact CG1-CZ3 3.89Å; I57-W80 HydrophobicContact CG2-CZ3 4.38Å
58	N	94.4	Very high	90.4	Very high	48 Å²	48	66.9 Å²	66.9	26%	0.257	33%	0.327	S	S	.	.	H	α-helix	trans	-73.5	-36.2	173.5	176	73	0	0	0	112.7	G54 K55 L56 R61 K62 L77	G54-N58 WeakPolarHBondContact O-CB 3.17Å; G54-N58 PolarHBondContact O-N 2.82Å; K55-N58 WeakPolarHBondContact O-CA 3.38Å; K55-N58 WeakPolarHBondContact O-CB 3.42Å; K55-N58 PolarHBondContact O-N 3.49Å; L56-N58 VanDerWaalsContact C-N 3.32Å; L56-N58 PolarHBondContact O-N 3.37Å; N58-R61 WeakPolarHBondContact O-CB 3.4Å; N58-R61 PolarHBondContact O-N 2.8Å; N58-K62 VanDerWaalsContact ND2-CE 3.35Å; N58-K62 WeakPolarHBondContact ND2-CE 3.37Å; N58-K62 PolarHBondContact ND2-NZ 2.9Å; N58-K62 WeakPolarHBondContact O-CG 3.26Å; N58-K62 PolarHBondContact O-N 3.31Å; N58-K62 VanDerWaalsContact O-N 3.11Å; N58-L77 HydrophobicContact CB-CD1 3.84Å; N58-L77 HydrophobicContact CB-CD2 4.27Å
59	D	91.8	Very high	90.4	Very high	22 Å²	22	66.6 Å²	66.6	12%	0.118	33%	0.325	C	S	.	.	H	α-helix	trans	-77.6	-38.5	178.7	-63.2	-29.4	0	0	0	111	K55 L56 R61 K62 K63	K55-D59 WeakPolarHBondContact CE-OD2 3.46Å; K55-D59 VanDerWaalsContact CG-OD2 3.32Å; K55-D59 WeakPolarHBondContact CG-OD2 3.4Å; K55-D59 PolarHBondContact O-N 3.08Å; L56-D59 PolarHBondContact O-N 2.68Å; D59-R61 VanDerWaalsContact C-N 3.31Å; D59-R61 PolarHBondContact O-N 2.87Å; D59-K62 WeakPolarHBondContact O-CB 3.31Å; D59-K62 PolarHBondContact O-N 2.79Å; D59-K62 VanDerWaalsContact O-N 3.1Å; D59-K62 WeakPolarHBondContact OD1-CE 3.26Å; D59-K62 IonicContact OD1-NZ 2.68Å; D59-K62 PolarHBondContact OD1-NZ 2.96Å; D59-K63 PolarHBondContact O-N 3.04Å; D59-K63 VanDerWaalsContact O-N 3.11Å
60	V	90.1	Very high	90.6	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-54.9	-44.1	164.4	166.6	0	0	0	0	111.3	L15 I19 I25 V31 L56 K62 K63 A64	L15-V60 HydrophobicContact CD1-CG2 4.14Å; L15-V60 HydrophobicContact CG-CG2 4.42Å; I19-V60 HydrophobicContact CG2-CG2 3.76Å; I25-V60 HydrophobicContact CD1-CG1 4.15Å; V31-V60 HydrophobicContact CG1-CG1 3.76Å; L56-V60 WeakPolarHBondContact O-CB 3.41Å; L56-V60 VanDerWaalsContact O-CG2 3.27Å; L56-V60 WeakPolarHBondContact O-CG2 3.46Å; L56-V60 PolarHBondContact O-N 2.96Å; V60-K62 VanDerWaalsContact C-N 3.34Å; V60-K62 PolarHBondContact O-N 3.26Å; V60-K63 CarbonylContact O-C 3.53Å; V60-K63 PolarHBondContact O-N 2.89Å; V60-A64 WeakPolarHBondContact O-CB 3.48Å; V60-A64 PolarHBondContact O-N 3.1Å
61	R	91.1	Very high	90.9	Very high	92 Å²	92	62.3 Å²	62.3	35%	0.347	31%	0.305	S	S	.	.	H	α-helix	trans	-59.2	-40.6	175.1	176.6	-171.2	156	-108.6	-18.1	112.6	I57 N58 D59 K63 A70 A73	I57-R61 VanDerWaalsContact O-CB 3.27Å; I57-R61 WeakPolarHBondContact O-CB 3.27Å; I57-R61 PolarHBondContact O-N 2.82Å; N58-R61 WeakPolarHBondContact O-CB 3.4Å; N58-R61 PolarHBondContact O-N 2.8Å; D59-R61 VanDerWaalsContact C-N 3.31Å; D59-R61 PolarHBondContact O-N 2.87Å; R61-K63 VanDerWaalsContact C-N 3.29Å; R61-K63 PolarHBondContact O-N 3.48Å; R61-A70 HydrophobicContact CG-CB 4.33Å; R61-A73 HydrophobicContact CB-CB 3.81Å; R61-A73 HydrophobicContact CG-CB 4.31Å
62	K	91	Very high	91	Very high	139 Å²	139	66.2 Å²	66.2	60%	0.604	32%	0.32	S	S	*	.	H	α-helix	trans	-68.6	-28.5	178.5	-68.1	167.7	-171.7	163.6	0	112.7	N58 D59 V60	N58-K62 VanDerWaalsContact ND2-CE 3.35Å; N58-K62 WeakPolarHBondContact ND2-CE 3.37Å; N58-K62 PolarHBondContact ND2-NZ 2.9Å; N58-K62 WeakPolarHBondContact O-CG 3.26Å; N58-K62 PolarHBondContact O-N 3.31Å; N58-K62 VanDerWaalsContact O-N 3.11Å; D59-K62 WeakPolarHBondContact O-CB 3.31Å; D59-K62 PolarHBondContact O-N 2.79Å; D59-K62 VanDerWaalsContact O-N 3.1Å; D59-K62 WeakPolarHBondContact OD1-CE 3.26Å; D59-K62 IonicContact OD1-NZ 2.68Å; D59-K62 PolarHBondContact OD1-NZ 2.96Å; V60-K62 VanDerWaalsContact C-N 3.34Å; V60-K62 PolarHBondContact O-N 3.26Å
63	K	87.1	Confident	91.1	Very high	100 Å²	100	57.5 Å²	57.5	44%	0.435	29%	0.287	S	S	.	.	H	α-helix	trans	-104.1	1.1	-174.7	-64.5	-73.7	-164.8	151.5	0	113.3	S23 N24 D59 V60 R61 S65	S23-K63 WeakPolarHBondContact O-CB 3.5Å; S23-K63 WeakPolarHBondContact O-CG 3.39Å; N24-K63 WeakPolarHBondContact OD1-CD 3.46Å; N24-K63 WeakPolarHBondContact OD1-CE 3.25Å; N24-K63 PolarHBondContact OD1-NZ 2.79Å; D59-K63 PolarHBondContact O-N 3.04Å; D59-K63 VanDerWaalsContact O-N 3.11Å; V60-K63 CarbonylContact O-C 3.53Å; V60-K63 PolarHBondContact O-N 2.89Å; R61-K63 VanDerWaalsContact C-N 3.29Å; R61-K63 PolarHBondContact O-N 3.48Å; K63-S65 PolarHBondContact O-N 2.83Å
64	A	88.3	Confident	91.2	Very high	17 Å²	17	63.1 Å²	63.1	14%	0.14	31%	0.311	C	S	.	.			trans	-73.1	104.8	176.2	0	0	0	0	0	111.4	I25 V60 N66 L69 A70	I25-A64 HydrophobicContact CD1-CB 4.17Å; V60-A64 WeakPolarHBondContact O-CB 3.48Å; V60-A64 PolarHBondContact O-N 3.1Å; A64-N66 PolarHBondContact O-N 2.78Å; A64-L69 HydrophobicContact CB-CB 4.35Å; A64-L69 HydrophobicContact CB-CD2 3.79Å; A64-L69 HydrophobicContact CB-CG 3.89Å; A64-A70 HydrophobicContact CB-CB 4.22Å
65	S	84.6	Confident	91.3	Very high	122 Å²	122	68.8 Å²	68.8	85%	0.853	33%	0.329	S	S	*	.	S	Bend	trans	-63.5	-18.3	167.6	-173.8	0	0	0	0	112.8	K63	K63-S65 PolarHBondContact O-N 2.83Å
66	N	88.5	Confident	91.4	Very high	65 Å²	65	62.1 Å²	62.1	35%	0.348	30%	0.3	S	S	.	.	S	Bend	trans	-93.6	112.7	173.9	-174.7	-61.8	0	0	0	110.8	A64 D68 L69 A70	A64-N66 PolarHBondContact O-N 2.78Å; N66-D68 VanDerWaalsContact C-N 3.28Å; N66-D68 PolarHBondContact O-N 3.22Å; N66-D68 WeakPolarHBondContact OD1-CA 3.5Å; N66-D68 PolarHBondContact OD1-N 3.08Å; N66-L69 HydrophobicContact CB-CB 4.05Å; N66-L69 WeakPolarHBondContact O-CB 3.39Å; N66-L69 PolarHBondContact O-N 3.3Å; N66-L69 VanDerWaalsContact O-N 3.13Å; N66-L69 PolarHBondContact OD1-N 3.42Å; N66-A70 PolarHBondContact O-N 3.49Å
67	E	90.9	Very high	91.5	Very high	120 Å²	120	62 Å²	62	56%	0.561	30%	0.299	S	S	*	.	H	α-helix	trans	-62.8	-29.4	-178.2	174.5	51.9	-153.5	0	0	113.1	A70 K71	E67-A70 PolarHBondContact O-N 3.5Å; E67-K71 VanDerWaalsContact O-CG 3.28Å; E67-K71 WeakPolarHBondContact O-CG 3.26Å; E67-K71 PolarHBondContact O-N 3.37Å; E67-K71 WeakPolarHBondContact OE1-CE 3.5Å
68	D	89.3	Confident	91.4	Very high	84 Å²	84	69.6 Å²	69.6	45%	0.449	33%	0.328	S	S	.	.	H	α-helix	trans	-79.9	-22.4	176.2	-63.6	-37.5	0	0	0	113.6	N66 K71 R72	N66-D68 VanDerWaalsContact C-N 3.28Å; N66-D68 PolarHBondContact O-N 3.22Å; N66-D68 WeakPolarHBondContact OD1-CA 3.5Å; N66-D68 PolarHBondContact OD1-N 3.08Å; D68-K71 WeakPolarHBondContact OD1-CD 3.45Å; D68-K71 IonicContact OD1-NZ 3.94Å; D68-K71 PolarHBondContact OD1-NZ 3.4Å; D68-R72 WeakPolarHBondContact O-CG 3.19Å; D68-R72 PolarHBondContact O-N 3Å; D68-R72 PolarHBondContact O-NE 3.15Å
69	L	90.3	Very high	91.3	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-70.2	-45.1	163.4	168.5	61.3	0	0	0	110	I25 M28 V31 L32 I35 A64 N66 K71 R72 A73	I25-L69 HydrophobicContact CD1-CD2 3.88Å; M28-L69 HydrophobicContact SD-CD2 3.55Å; M28-L69 VanDerWaalsContact SD-CD2 3.55Å; V31-L69 HydrophobicContact CG1-CD1 3.94Å; V31-L69 HydrophobicContact CG1-CD2 3.75Å; L32-L69 HydrophobicContact CD2-CB 4.34Å; L32-L69 HydrophobicContact CD2-CD1 4.32Å; I35-L69 HydrophobicContact CB-CD1 4.36Å; I35-L69 HydrophobicContact CD1-CD1 4.21Å; I35-L69 HydrophobicContact CG1-CD1 3.73Å; I35-L69 HydrophobicContact CG2-CD1 4.37Å; A64-L69 HydrophobicContact CB-CB 4.35Å; A64-L69 HydrophobicContact CB-CD2 3.79Å; A64-L69 HydrophobicContact CB-CG 3.89Å; N66-L69 HydrophobicContact CB-CB 4.05Å; N66-L69 WeakPolarHBondContact O-CB 3.39Å; N66-L69 PolarHBondContact O-N 3.3Å; N66-L69 VanDerWaalsContact O-N 3.13Å; N66-L69 PolarHBondContact OD1-N 3.42Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 3.46Å; L69-R72 PolarHBondContact O-N 3.14Å; L69-A73 WeakPolarHBondContact O-CB 3.36Å; L69-A73 PolarHBondContact O-N 3.02Å
70	A	92.8	Very high	91.3	Very high	12 Å²	12	71.1 Å²	71.1	10%	0.099	34%	0.335	C	S	.	.	H	α-helix	trans	-60.5	-40.2	177.3	0	0	0	0	0	112.4	R61 A64 N66 E67 K74	R61-A70 HydrophobicContact CG-CB 4.33Å; A64-A70 HydrophobicContact CB-CB 4.22Å; N66-A70 PolarHBondContact O-N 3.49Å; E67-A70 PolarHBondContact O-N 3.5Å; A70-K74 WeakPolarHBondContact O-CB 3.25Å; A70-K74 PolarHBondContact O-N 3Å
71	K	94.5	Very high	91.2	Very high	102 Å²	102	75.3 Å²	75.3	44%	0.443	36%	0.355	S	S	.	.	H	α-helix	trans	-61.6	-46.8	171.9	-72.2	167.7	-160.7	153.2	0	112.7	E67 D68 L69 K74 K75	E67-K71 VanDerWaalsContact O-CG 3.28Å; E67-K71 WeakPolarHBondContact O-CG 3.26Å; E67-K71 PolarHBondContact O-N 3.37Å; E67-K71 WeakPolarHBondContact OE1-CE 3.5Å; D68-K71 WeakPolarHBondContact OD1-CD 3.45Å; D68-K71 IonicContact OD1-NZ 3.94Å; D68-K71 PolarHBondContact OD1-NZ 3.4Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 3.46Å; K71-K74 WeakPolarHBondContact O-CB 3.39Å; K71-K74 PolarHBondContact O-N 2.95Å; K71-K75 PolarHBondContact O-N 2.87Å
72	R	94.1	Very high	90.9	Very high	84 Å²	84	78.6 Å²	78.6	32%	0.317	37%	0.372	S	S	.	.	H	α-helix	trans	-64.2	-47.5	179.1	-78.8	178.6	-85.1	-177.3	-8.1	112.1	I35 E39 D68 L69 K74 K75 L76	I35-R72 HydrophobicContact CG2-CB 3.99Å; E39-R72 WeakPolarHBondContact OE1-CG 3.42Å; D68-R72 WeakPolarHBondContact O-CG 3.19Å; D68-R72 PolarHBondContact O-N 3Å; D68-R72 PolarHBondContact O-NE 3.15Å; L69-R72 PolarHBondContact O-N 3.14Å; R72-K74 VanDerWaalsContact C-N 3.32Å; R72-K74 PolarHBondContact O-N 3.17Å; R72-K75 WeakPolarHBondContact O-CB 3.49Å; R72-K75 PolarHBondContact O-N 3.3Å; R72-L76 PolarHBondContact O-N 2.83Å
73	A	93.8	Very high	90.4	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-59	-41.1	173.2	0	0	0	0	0	112.3	I35 I57 R61 L69 K75 L76 L77	I35-A73 HydrophobicContact CD1-CB 4.17Å; I57-A73 HydrophobicContact CG2-CB 3.86Å; R61-A73 HydrophobicContact CB-CB 3.81Å; R61-A73 HydrophobicContact CG-CB 4.31Å; L69-A73 WeakPolarHBondContact O-CB 3.36Å; L69-A73 PolarHBondContact O-N 3.02Å; A73-K75 VanDerWaalsContact C-N 3.33Å; A73-K75 PolarHBondContact O-N 2.88Å; A73-L76 PolarHBondContact O-N 3.23Å; A73-L77 VanDerWaalsContact O-CG 3.27Å; A73-L77 WeakPolarHBondContact O-CG 3.48Å; A73-L77 PolarHBondContact O-N 2.98Å
74	K	94.5	Very high	89.9	Confident	117 Å²	117	74 Å²	74	51%	0.509	36%	0.358	S	S	.	.	H	α-helix	trans	-61.9	-37.4	173.6	-172.2	-179.2	179.8	-177	0	112.5	A70 K71 R72 R78	A70-K74 WeakPolarHBondContact O-CB 3.25Å; A70-K74 PolarHBondContact O-N 3Å; K71-K74 WeakPolarHBondContact O-CB 3.39Å; K71-K74 PolarHBondContact O-N 2.95Å; R72-K74 VanDerWaalsContact C-N 3.32Å; R72-K74 PolarHBondContact O-N 3.17Å; K74-R78 WeakPolarHBondContact O-CG 3.48Å; K74-R78 PolarHBondContact O-N 2.68Å; K74-R78 VanDerWaalsContact O-N 3.1Å
75	K	94.3	Very high	89	Confident	147 Å²	147	79.4 Å²	79.4	64%	0.639	38%	0.38	S	S	*	.	H	α-helix	trans	-67.4	-44.4	176.3	-174.7	-172.8	174	-166.5	0	111.7	K71 R72 A73 R78 N79	K71-K75 PolarHBondContact O-N 2.87Å; R72-K75 WeakPolarHBondContact O-CB 3.49Å; R72-K75 PolarHBondContact O-N 3.3Å; A73-K75 VanDerWaalsContact C-N 3.33Å; A73-K75 PolarHBondContact O-N 2.88Å; K75-R78 PolarHBondContact O-N 2.81Å; K75-N79 PolarHBondContact O-N 2.84Å
76	L	93.3	Very high	87.4	Confident	7 Å²	7	78.8 Å²	78.8	4%	0.037	37%	0.373	C	S	.	.	H	α-helix	trans	-55.5	-53.7	173	-74	174	0	0	0	111.1	I35 L38 E39 I57 R72 A73 R78 N79 W80	I35-L76 HydrophobicContact CD1-CD1 3.91Å; I35-L76 HydrophobicContact CG2-CD1 4.39Å; L38-L76 HydrophobicContact CB-CD1 3.89Å; L38-L76 HydrophobicContact CB-CD2 4.35Å; L38-L76 WeakPolarHBondContact O-CD2 3.38Å; E39-L76 HydrophobicContact CB-CD2 4.42Å; E39-L76 HydrophobicContact CG-CD1 4.25Å; E39-L76 HydrophobicContact CG-CD2 3.81Å; E39-L76 HydrophobicContact CG-CG 4.03Å; I57-L76 HydrophobicContact CG2-CD1 4.46Å; R72-L76 PolarHBondContact O-N 2.83Å; A73-L76 PolarHBondContact O-N 3.23Å; L76-R78 VanDerWaalsContact C-N 3.27Å; L76-R78 PolarHBondContact O-N 2.55Å; L76-N79 WeakPolarHBondContact O-CB 3.13Å; L76-N79 PolarHBondContact O-N 2.69Å; L76-W80 HydrophobicContact CB-CD2 4.45Å; L76-W80 HydrophobicContact CB-CH2 4.44Å; L76-W80 HydrophobicContact CB-CZ2 4.29Å; L76-W80 HydrophobicContact CD1-CH2 4.45Å; L76-W80 HydrophobicContact CD1-CZ2 4.46Å; L76-W80 HydrophobicContact CD2-CZ2 4.02Å; L76-W80 WeakPolarHBondContact O-CB 3.23Å; L76-W80 VanDerWaalsContact O-CG 3.22Å; L76-W80 PolarHBondContact O-N 2.88Å
77	L	93.3	Very high	84.9	Confident	23 Å²	23	78.7 Å²	78.7	12%	0.12	39%	0.387	C	S	.	.	H	α-helix	trans	-58	-37	179.5	-66.1	165.4	0	0	0	112.7	G54 I57 N58 A73 W80 Q81	G54-L77 WeakPolarHBondContact O-CD2 3.49Å; I57-L77 HydrophobicContact CB-CD2 4.44Å; I57-L77 HydrophobicContact CG2-CD1 4.44Å; I57-L77 HydrophobicContact CG2-CD2 4.31Å; I57-L77 HydrophobicContact CG2-CG 4.14Å; N58-L77 HydrophobicContact CB-CD1 3.84Å; N58-L77 HydrophobicContact CB-CD2 4.27Å; A73-L77 VanDerWaalsContact O-CG 3.27Å; A73-L77 WeakPolarHBondContact O-CG 3.48Å; A73-L77 PolarHBondContact O-N 2.98Å; L77-W80 HydrophobicContact CD2-CE3 4.4Å; L77-Q81 WeakPolarHBondContact O-CB 3.27Å; L77-Q81 VanDerWaalsContact O-CG 3.26Å; L77-Q81 WeakPolarHBondContact O-CG 3.45Å; L77-Q81 PolarHBondContact O-N 2.88Å
78	R	92.2	Very high	82.6	Confident	161 Å²	161	78.1 Å²	78.1	61%	0.608	39%	0.394	S	S	*	.	H	α-helix	trans	-75.8	-21.5	175.6	-71.7	-52.6	-162	-178.9	6.1	114.6	K74 K75 L76	K74-R78 WeakPolarHBondContact O-CG 3.48Å; K74-R78 PolarHBondContact O-N 2.68Å; K74-R78 VanDerWaalsContact O-N 3.1Å; K75-R78 PolarHBondContact O-N 2.81Å; L76-R78 VanDerWaalsContact C-N 3.27Å; L76-R78 PolarHBondContact O-N 2.55Å
79	N	90.9	Very high	80.1	Confident	94 Å²	94	81.1 Å²	81.1	50%	0.503	42%	0.416	S	S	.	.	H	α-helix	trans	-74.9	-50.5	168.3	-168.1	19.1	0	0	0	109.6	K75 L76 Q81 K82	K75-N79 PolarHBondContact O-N 2.84Å; L76-N79 WeakPolarHBondContact O-CB 3.13Å; L76-N79 PolarHBondContact O-N 2.69Å; N79-Q81 PolarHBondContact O-N 2.82Å; N79-K82 WeakPolarHBondContact O-CB 3.28Å; N79-K82 PolarHBondContact O-N 2.96Å; N79-K82 VanDerWaalsContact O-N 3.1Å
80	W	92.8	Very high	77.4	Confident	7 Å²	7	84 Å²	84	3%	0.027	45%	0.445	C	S	.	.	H	α-helix	trans	-65.2	-33.4	-176.7	-66.2	-9.6	0	0	0	114.5	L38 I43 L48 L53 I57 L76 L77 K82 L83 I84	L38-W80 HydrophobicContact CB-CH2 4.41Å; L38-W80 HydrophobicContact CB-CZ2 4.18Å; L38-W80 HydrophobicContact CD1-CH2 4.19Å; L38-W80 HydrophobicContact CD2-CH2 4.04Å; L38-W80 HydrophobicContact CD2-CZ2 4.04Å; L38-W80 HydrophobicContact CG-CH2 4.45Å; I43-W80 HydrophobicContact CG2-CD2 4.42Å; I43-W80 HydrophobicContact CG2-CG 4.37Å; I43-W80 HydrophobicContact CG2-CZ2 4.31Å; I43-W80 VanDerWaalsContact CG2-NE1 3.34Å; L48-W80 HydrophobicContact CD1-CD2 4Å; L48-W80 HydrophobicContact CD1-CE3 3.58Å; L48-W80 HydrophobicContact CD1-CZ3 3.92Å; L48-W80 HydrophobicContact CD2-CB 3.63Å; L48-W80 HydrophobicContact CD2-CD2 4.32Å; L48-W80 HydrophobicContact CD2-CE3 4.48Å; L48-W80 HydrophobicContact CD2-CG 3.99Å; L53-W80 HydrophobicContact CB-CH2 4.4Å; L53-W80 HydrophobicContact CB-CZ3 4.27Å; I57-W80 HydrophobicContact CB-CZ3 4.18Å; I57-W80 HydrophobicContact CG1-CH2 4.03Å; I57-W80 HydrophobicContact CG1-CZ3 3.89Å; I57-W80 HydrophobicContact CG2-CZ3 4.38Å; L76-W80 HydrophobicContact CB-CD2 4.45Å; L76-W80 HydrophobicContact CB-CH2 4.44Å; L76-W80 HydrophobicContact CB-CZ2 4.29Å; L76-W80 HydrophobicContact CD1-CH2 4.45Å; L76-W80 HydrophobicContact CD1-CZ2 4.46Å; L76-W80 HydrophobicContact CD2-CZ2 4.02Å; L76-W80 WeakPolarHBondContact O-CB 3.23Å; L76-W80 VanDerWaalsContact O-CG 3.22Å; L76-W80 PolarHBondContact O-N 2.88Å; L77-W80 HydrophobicContact CD2-CE3 4.4Å; W80-K82 PolarHBondContact O-N 3.47Å; W80-L83 WeakPolarHBondContact O-CB 3.34Å; W80-L83 PolarHBondContact O-N 3.24Å; W80-I84 PolarHBondContact O-N 3.41Å
81	Q	88	Confident	75.1	Confident	89 Å²	89	89.7 Å²	89.7	42%	0.416	48%	0.481	S	S	.	.	H	α-helix	trans	-57.3	-37.4	171.7	-82.4	172.4	-15.1	0	0	112.4	L77 N79 L83 I84 E85	L77-Q81 WeakPolarHBondContact O-CB 3.27Å; L77-Q81 VanDerWaalsContact O-CG 3.26Å; L77-Q81 WeakPolarHBondContact O-CG 3.45Å; L77-Q81 PolarHBondContact O-N 2.88Å; N79-Q81 PolarHBondContact O-N 2.82Å; Q81-L83 PolarHBondContact O-N 3.07Å; Q81-I84 PolarHBondContact O-N 3.38Å; Q81-E85 WeakPolarHBondContact O-CB 3.46Å; Q81-E85 PolarHBondContact O-N 3.03Å
82	K	85.4	Confident	72.5	Confident	161 Å²	161	89.1 Å²	89.1	70%	0.7	50%	0.495	S	S	*	.	H	α-helix	trans	-70.7	-14.2	176.1	-57.3	177.7	178.1	-173.3	0	114	N79 W80	N79-K82 WeakPolarHBondContact O-CB 3.28Å; N79-K82 PolarHBondContact O-N 2.96Å; N79-K82 VanDerWaalsContact O-N 3.1Å; W80-K82 PolarHBondContact O-N 3.47Å
83	L	79.7	Confident	69.5	Low	77 Å²	77	91.1 Å²	91.1	40%	0.403	52%	0.522	S	S	.	.	H	α-helix	trans	-88.9	-28.6	173.3	-60.7	174.2	0	0	0	111.5	I43 K45 W80 Q81	I43-L83 HydrophobicContact CG2-CD1 4.46Å; I43-L83 WeakPolarHBondContact O-CD1 3.48Å; K45-L83 WeakPolarHBondContact CD-O 3.42Å; W80-L83 WeakPolarHBondContact O-CB 3.34Å; W80-L83 PolarHBondContact O-N 3.24Å; Q81-L83 PolarHBondContact O-N 3.07Å
84	I	75.7	Confident	66.8	Low	66 Å²	66	97.4 Å²	97.4	34%	0.338	56%	0.56	S	S	.	*	H	α-helix	trans	-83.4	-44.7	179.1	-64.3	169.2	0	0	0	111	K45 L48 W80 Q81 P86	K45-I84 HydrophobicContact CG-CG1 4.4Å; K45-I84 PolarHBondContact NZ-O 3.19Å; L48-I84 HydrophobicContact CD2-CD1 3.72Å; L48-I84 HydrophobicContact CD2-CG1 4.04Å; L48-I84 HydrophobicContact CG-CD1 4.5Å; W80-I84 PolarHBondContact O-N 3.41Å; Q81-I84 PolarHBondContact O-N 3.38Å; I84-P86 VanDerWaalsContact O-CD 3.26Å; I84-P86 WeakPolarHBondContact O-CD 3.42Å
85	E	70	Confident	64.2	Low	130 Å²	130	98 Å²	98	61%	0.607	58%	0.576	S	S	*	*	S	Bend	trans	-71.8	110.5	-176.1	-174.2	175.1	-173.2	0	0	111.4	Q81 G87	Q81-E85 WeakPolarHBondContact O-CB 3.46Å; Q81-E85 PolarHBondContact O-N 3.03Å; E85-G87 PolarHBondContact O-N 3.26Å
86	P	50.5	Low	61.1	Low	109 Å²	109	94.6 Å²	94.6	71%	0.708	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-70.8	121.3	170.6	30.7	-31.5	0	0	0	108.4	I84	I84-P86 VanDerWaalsContact O-CD 3.26Å; I84-P86 WeakPolarHBondContact O-CD 3.42Å
87	G	37.3	Very low	58.1	Low	63 Å²	63	99 Å²	99	65%	0.649	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-53.8	124.4	-178.1	0	0	0	0	0	111.6	E85 T89	E85-G87 PolarHBondContact O-N 3.26Å; G87-T89 PolarHBondContact O-N 3.1Å
88	P	41.7	Very low	55.1	Low	108 Å²	108	103.1 Å²	103.1	70%	0.701	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-64.6	128.9	-175.4	24.7	-33.7	0	0	0	110.3	G90	P88-G90 PolarHBondContact O-N 2.85Å
89	T	38.1	Very low	52.3	Low	147 Å²	147	103.2 Å²	103.2	90%	0.902	65%	0.653	S	S	*	*	S	Bend	trans	-75.7	68.3	177.4	47.7	0	0	0	0	112	G87	G87-T89 PolarHBondContact O-N 3.1Å
90	G	33.6	Very low	49.3	Very low	59 Å²	59	102.7 Å²	102.7	61%	0.608	67%	0.67	S	S	*	*	S	Bend	trans	89.5	157.3	158.8	0	0	0	0	0	117.4	P88	P88-G90 PolarHBondContact O-N 2.85Å
91	P	42.7	Very low	46.4	Very low	133 Å²	133	108.3 Å²	108.3	86%	0.864	71%	0.71	S	S	*	*			cis	-98.5	-177.8	-15.5	38.5	-30.8	0	0	0	112.1
92	A	40.3	Very low	43.7	Very low	90 Å²	90	109.6 Å²	109.6	74%	0.744	73%	0.729	S	S	*	*			trans	-60.5	141	-171.4	0	0	0	0	0	116
93	S	32.5	Very low	41.4	Very low	126 Å²	126	110.6 Å²	110.6	88%	0.881	74%	0.735	S	S	*	*			trans	-145.2	146.6	137.9	-83	0	0	0	0	110.8
94	V	36.4	Very low	40	Very low	132 Å²	132	112 Å²	112	80%	0.8	75%	0.749	S	S	*	*			trans	-108.3	144	-169.6	-179.5	0	0	0	0	108.3
95	P	38.9	Very low	37.8	Very low	128 Å²	128	114.9 Å²	114.9	83%	0.831	77%	0.774	S	S	*	*			trans	-86.5	154	-164.2	33	-37.5	0	0	0	115.7
96	G	29.1	Very low	35.8	Very low	76 Å²	76	118.5 Å²	118.5	78%	0.784	78%	0.782	S	S	*	*			trans	112.5	155.3	164.9	0	0	0	0	0	114.9
97	S	32	Very low	35	Very low	101 Å²	101	119.7 Å²	119.7	71%	0.706	79%	0.788	S	S	*	*			cis	-164.1	145.1	-8.5	-170.1	0	0	0	0	112.2
98	T	30.3	Very low	34.4	Very low	108 Å²	108	123.1 Å²	123.1	66%	0.663	79%	0.787	S	S	*	*			trans	50.3	121.4	148	47	0	0	0	0	122.6
99	N	31.8	Very low	34	Very low	164 Å²	164	125.3 Å²	125.3	88%	0.877	79%	0.792	S	S	*	*			trans	80.2	134	139.5	-56.4	3.3	0	0	0	120
100	G	29.1	Very low	33.8	Very low	83 Å²	83	123.1 Å²	123.1	86%	0.856	78%	0.782	S	S	*	*			trans	133	41.4	146	0	0	0	0	0	120.5
101	S	30.8	Very low	34.3	Very low	125 Å²	125	125.7 Å²	125.7	87%	0.874	79%	0.788	S	S	*	*			trans	-155.1	160.8	158.2	-160.4	0	0	0	0	112.3
102	S	32.8	Very low	33.7	Very low	115 Å²	115	123.7 Å²	123.7	80%	0.804	78%	0.783	S	S	*	*			trans	-111.7	150.4	-156.2	-59.7	0	0	0	0	115.9
103	H	36.7	Very low	33.1	Very low	182 Å²	182	126 Å²	126	84%	0.843	78%	0.783	S	S	*	*			trans	-59.1	175.2	164.7	-72.4	-86.7	0	0	0	114.1
104	P	50.5	Low	33.1	Very low	106 Å²	106	126.7 Å²	126.7	69%	0.688	78%	0.776	S	S	*	*			cis	-136.3	175.3	-10.5	24.9	-1.6	0	0	0	116.4
105	C	29.4	Very low	32.7	Very low	128 Å²	128	126.2 Å²	126.2	87%	0.865	78%	0.779	S	S	*	*			trans	66.2	159.3	149.8	-72.7	0	0	0	0	119.2
106	R	27.8	Very low	32.4	Very low	206 Å²	206	126.5 Å²	126.5	78%	0.777	78%	0.778	S	S	*	*			cis	-143.5	153.8	0.1	-164.2	-177.1	168.6	-167.7	-3.1	110.4
107	T	33.9	Very low	32.3	Very low	134 Å²	134	128.5 Å²	128.5	82%	0.822	78%	0.779	S	S	*	*			trans	-115.8	136.2	160.1	-58.1	0	0	0	0	109.3
108	E	24.5	Very low	32.2	Very low	135 Å²	135	126.6 Å²	126.6	63%	0.631	78%	0.776	S	S	*	*			trans	-168	169.6	161.2	-107.8	-50.9	149.8	0	0	110
109	L	33.9	Very low	32.2	Very low	154 Å²	154	132.1 Å²	132.1	81%	0.806	79%	0.79	S	S	*	*			trans	-83.8	170.7	-173.1	-68.4	171.9	0	0	0	113.5
110	S	32.9	Very low	32.1	Very low	101 Å²	101	127.8 Å²	127.8	71%	0.706	79%	0.785	S	S	*	*			cis	176.9	-168	-24.4	-156	0	0	0	0	105.8
111	P	44.7	Very low	32.5	Very low	112 Å²	112	130.7 Å²	130.7	73%	0.727	79%	0.786	S	S	*	*			cis	-131.5	-169.5	-17.2	44.3	-27.2	0	0	0	114.6
112	A	29.8	Very low	32.9	Very low	92 Å²	92	130.4 Å²	130.4	76%	0.76	78%	0.781	S	S	*	*			trans	65.5	158.5	164.4	0	0	0	0	0	117.2
113	D	26.8	Very low	32.8	Very low	138 Å²	138	133.3 Å²	133.3	74%	0.738	78%	0.782	S	S	*	*			cis	-151	161.9	15.3	-150.3	13.6	0	0	0	115.3
114	L	32.2	Very low	32.9	Very low	141 Å²	141	130.1 Å²	130.1	74%	0.738	78%	0.775	S	S	*	*			trans	19.7	132.7	162	-67.4	168.2	0	0	0	124.4
115	S	29.8	Very low	32.3	Very low	122 Å²	122	134.7 Å²	134.7	85%	0.853	78%	0.784	S	S	*	*			trans	-163.3	115.3	130.4	-85.1	0	0	0	0	115
116	V	31.1	Very low	32.4	Very low	134 Å²	134	134 Å²	134	81%	0.812	78%	0.776	S	S	*	*			trans	14.6	117.3	146.7	160.4	0	0	0	0	118.1
117	S	28.3	Very low	32.7	Very low	117 Å²	117	135.7 Å²	135.7	82%	0.818	78%	0.782	S	S	*	*				71.6	131.7	65.9	-174.4	0	0	0	0	114.7
118	G	29.7	Very low	32.7	Very low	61 Å²	61	136 Å²	136	63%	0.629	78%	0.779	S	S	*	*			cis	167.8	-169.4	-1.4	0	0	0	0	0	113.8
119	K	30.2	Very low	33.1	Very low	224 Å²	224	135.9 Å²	135.9	97%	0.974	78%	0.783	S	S	*	*			trans	66.1	138.3	177.7	-65.3	-178.8	173.7	179.2	0	117.5
120	G	30	Very low	33.5	Very low	74 Å²	74	133.9 Å²	133.9	76%	0.763	78%	0.777	S	S	*	*			trans	156.3	30.6	163	0	0	0	0	0	120.9
121	V	36	Very low	33.7	Very low	144 Å²	144	137.2 Å²	137.2	87%	0.873	78%	0.781	S	S	*	*			trans	-87.1	122	163.9	176.8	0	0	0	0	109
122	P	40.6	Very low	33.1	Very low	118 Å²	118	138.7 Å²	138.7	77%	0.766	78%	0.783	S	S	*	*				-132	146	129.8	36.5	-27.9	0	0	0	113.9
123	E	30.1	Very low	33.3	Very low	176 Å²	176	140.4 Å²	140.4	82%	0.822	78%	0.784	S	S	*	*			trans	-60.3	146.8	-177.6	-170.2	179.2	115.6	0	0	116.2
124	V	39.4	Very low	33.5	Very low	116 Å²	116	143.9 Å²	143.9	70%	0.703	79%	0.788	S	S	*	*			trans	40	115.8	152.9	178.6	0	0	0	0	119.8
125	K	36.3	Very low	33.6	Very low	201 Å²	201	141.1 Å²	141.1	87%	0.874	78%	0.781	S	S	*	*				-154.5	109	128.8	-143.6	152.9	-171.4	164.7	0	117.2
126	T	32.9	Very low	34.6	Very low	115 Å²	115	140 Å²	140	71%	0.706	77%	0.77	S	S	*	*			trans	-1.2	123.1	144.9	-39.2	0	0	0	0	119.9
127	R	33.8	Very low	34.6	Very low	240 Å²	240	143.3 Å²	143.3	91%	0.906	77%	0.774	S	S	*	*				-169.8	153.6	118.6	-113.7	179.7	172	129.6	-0.5	115.2
128	N	34.2	Very low	34.9	Very low	140 Å²	140	142 Å²	142	75%	0.749	77%	0.77	S	S	*	*			trans	-89.5	150.2	170.1	-55.5	-9.2	0	0	0	110.7
129	D	33.1	Very low	35	Very low	134 Å²	134	147.2 Å²	147.2	72%	0.717	78%	0.778	S	S	*	*				-170.8	120.1	113.2	-119.6	-124.9	0	0	0	107.1
130	V	40.8	Very low	35.3	Very low	112 Å²	112	145.2 Å²	145.2	68%	0.679	77%	0.769	S	S	*	*				49.1	101.8	79	-173.9	0	0	0	0	112.9
131	H	38.3	Very low	35.7	Very low	170 Å²	170	147 Å²	147	79%	0.787	77%	0.77	S	S	*	*			trans	-157.5	121.1	132	-118.5	-76.4	0	0	0	111.8
132	N	31.9	Very low	35.4	Very low	144 Å²	144	145.7 Å²	145.7	77%	0.77	77%	0.767	S	S	*	*			trans	-112.8	117.3	174.9	167.7	14.7	0	0	0	108.6
133	T	34.1	Very low	35.1	Very low	128 Å²	128	147.6 Å²	147.6	79%	0.785	77%	0.771	S	S	*	*			trans	-150.9	132	163.7	42.5	0	0	0	0	110.7
134	Y	31	Very low	35.6	Very low	211 Å²	211	151.3 Å²	151.3	83%	0.827	78%	0.777	S	S	*	*			trans	-126	167.1	176.1	175.9	-110.4	0	0	0	109.9
135	S	34.1	Very low	35.8	Very low	83 Å²	83	155.2 Å²	155.2	58%	0.58	79%	0.785	S	S	*	*			trans	73.9	165.4	165.9	-92.7	0	0	0	0	118.4
136	P	50.7	Low	36.1	Very low	97 Å²	97	157.5 Å²	157.5	63%	0.63	79%	0.788	S	S	*	*			cis	-147.4	174.3	-25.2	37.3	-17.6	0	0	0	118.1
137	K	30.2	Very low	36.3	Very low	205 Å²	205	163 Å²	163	89%	0.891	80%	0.796	S	S	*	*			trans	70.8	165.2	160.5	-36.6	-165.5	-179.8	-179.5	0	117.6
138	A	35.5	Very low	36.2	Very low	89 Å²	89	156.6 Å²	156.6	74%	0.736	79%	0.794	S	S	*	*			cis	-144.6	142.8	-4.7	0	0	0	0	0	108.3
139	E	32.2	Very low	36.2	Very low	171 Å²	171	157.2 Å²	157.2	80%	0.799	79%	0.793	S	S	*	*				61.1	105.4	73.4	-153.8	-156.9	145.6	0	0	118.2
140	K	36.3	Very low	36.2	Very low	182 Å²	182	159.9 Å²	159.9	79%	0.791	80%	0.801	S	S	*	*			trans	165.1	119.3	144.2	-91.4	152.9	-169.4	174	0	110.6
141	S	37.2	Very low	36.1	Very low	110 Å²	110	164.3 Å²	164.3	77%	0.769	81%	0.805	S	S	*	*				66.8	141.6	91.9	91.3	0	0	0	0	115
142	S	30.2	Very low	35.8	Very low	117 Å²	117	162.6 Å²	162.6	82%	0.818	80%	0.802	S	S	*	*			cis	-158.1	-178.9	9.4	-165.4	0	0	0	0	112.3
143	N	33.9	Very low	35.7	Very low	158 Å²	158	160.7 Å²	160.7	85%	0.845	80%	0.8	S	S	*	*			trans	-83.6	150	-175.9	-81.2	-93.2	0	0	0	114.9
144	R	40.4	Very low	35.5	Very low	255 Å²	255	157.8 Å²	157.8	96%	0.962	80%	0.795	S	S	*	*			trans	-146.2	141.8	152.9	-149.3	174.2	-166.6	-177.8	4.7	111.7
145	K	44	Very low	35.5	Very low	197 Å²	197	153.7 Å²	153.7	86%	0.857	79%	0.792	S	S	*	*			trans	-149.8	130	-172.9	174.7	-177.7	-179.4	177.5	0	111
146	R	43.7	Very low	35.3	Very low	250 Å²	250	160.5 Å²	160.5	94%	0.943	81%	0.806	S	S	*	*			trans	-162.5	165.4	158.7	-113.2	171.5	-170.4	-156.3	0.3	111.7
147	R	37.3	Very low	34.5	Very low	230 Å²	230	163.3 Å²	163.3	87%	0.868	82%	0.815	S	S	*	*			trans	-76.5	158.1	178.2	-64.2	176.5	170.9	-143.5	6	111.9
148	A	31.4	Very low	35.5	Very low	105 Å²	105	158.6 Å²	158.6	87%	0.868	81%	0.806	S	S	*	*			trans	-142.1	161.4	133.8	0	0	0	0	0	109
149	E	33.9	Very low	35.3	Very low	154 Å²	154	161.9 Å²	161.9	72%	0.72	81%	0.806	S	S	*	*			trans	-139.6	139	-180	172.1	-172.7	156.1	0	0	107.3
150	Q	32.8	Very low	35.5	Very low	190 Å²	190	161.7 Å²	161.7	89%	0.888	80%	0.802	S	S	*	*			trans	-153.5	144	160.7	-145.7	172.5	-31.4	0	0	111.4
151	R	39.4	Very low	35.9	Very low	204 Å²	204	161 Å²	161	77%	0.77	81%	0.806	S	S	*	*			trans	-85.5	176.5	164.6	-48.7	-172.9	178.3	-166.9	1.5	108.7
152	D	31.6	Very low	35.6	Very low	135 Å²	135	159.8 Å²	159.8	72%	0.722	80%	0.797	S	S	*	*				-169.5	-170.9	56.2	-162.4	45.3	0	0	0	113.7
153	S	30.6	Very low	35.9	Very low	103 Å²	103	164.8 Å²	164.8	72%	0.72	80%	0.798	S	S	*	*			trans	-13.9	155.5	165.5	54.2	0	0	0	0	120.5
154	G	28.7	Very low	36	Very low	67 Å²	67	164.5 Å²	164.5	69%	0.691	79%	0.794	S	S	*	*			cis	156.1	142.9	-7	0	0	0	0	0	114.2
155	V	31	Very low	35.5	Very low	126 Å²	126	157.3 Å²	157.3	76%	0.764	78%	0.782	S	S	*	*			trans	60.1	114.2	161.4	-162.8	0	0	0	0	119.1
156	Y	30.7	Very low	34.9	Very low	225 Å²	225	152.4 Å²	152.4	88%	0.882	77%	0.773	S	S	*	*				-175.9	168.7	114.1	-110.2	-81	0	0	0	113.3
157	L	34.4	Very low	34.4	Very low	156 Å²	156	150.6 Å²	150.6	82%	0.817	77%	0.768	S	S	*	*			trans	-104.8	-170.2	-178.6	-106.7	107.8	0	0	0	110.4
158	P	51	Low	34.1	Very low	106 Å²	106	145.3 Å²	145.3	69%	0.688	76%	0.756	S	S	*	*			cis	-139.6	-169.7	1	26.4	0.8	0	0	0	116.9
159	E	30.5	Very low	34	Very low	158 Å²	158	146.2 Å²	146.2	74%	0.738	75%	0.747	S	S	*	*			trans	85.4	156.4	150	-59.4	-139.2	113.7	0	0	122.8
160	K	37.2	Very low	34	Very low	168 Å²	168	143.8 Å²	143.8	73%	0.73	75%	0.747	S	S	*	*			cis	171.3	118.8	-46.8	171.6	-171.9	-165.6	-178.7	0	112.2
161	I	43.9	Very low	34	Very low	168 Å²	168	140.7 Å²	140.7	86%	0.862	74%	0.74	S	S	*	*			trans	174.9	156.7	151.9	41.7	173.4	0	0	0	110.5
162	S	30.8	Very low	33.7	Very low	84 Å²	84	136.3 Å²	136.3	59%	0.587	74%	0.741	S	S	*	*			cis	-175.8	133.8	-20.9	172.7	0	0	0	0	112.7
163	R	37.2	Very low	35.2	Very low	221 Å²	221	135.5 Å²	135.5	83%	0.834	74%	0.743	S	S	*	*			trans	68.5	156.5	155.6	-70.9	173.1	-162.5	-148.1	9.1	119.1
164	M	35	Very low	36.7	Very low	153 Å²	153	135.9 Å²	135.9	75%	0.754	74%	0.743	S	S	*	*			cis	-157.1	158.8	1.3	-132.6	158.7	67.1	0	0	114.7
165	S	31.3	Very low	36.9	Very low	103 Å²	103	138.8 Å²	138.8	72%	0.72	75%	0.748	S	S	*	*			trans	73.9	139	150	-164.2	0	0	0	0	120.4
166	S	30	Very low	37.2	Very low	95 Å²	95	140 Å²	140	66%	0.664	75%	0.75	S	S	*	*			cis	-163.5	141	-20.4	-79.3	0	0	0	0	112.6
167	Y	33.1	Very low	37.2	Very low	212 Å²	212	132.9 Å²	132.9	83%	0.831	75%	0.745	S	S	*	*			trans	14	147.7	135.2	-75.8	-95.7	0	0	0	121.8
168	D	31.2	Very low	37.2	Very low	118 Å²	118	133.2 Å²	133.2	63%	0.631	75%	0.746	S	S	*	*			cis	-166	158.1	-8.2	-143.5	-150.5	0	0	0	116.7
169	N	30.1	Very low	36.4	Very low	125 Å²	125	135.3 Å²	135.3	67%	0.668	76%	0.757	S	S	*	*			trans	26.7	122	144.6	-80.8	-45.8	0	0	0	127.3
170	S	34.5	Very low	36.3	Very low	103 Å²	103	131.4 Å²	131.4	72%	0.72	76%	0.759	S	S	*	*				100.4	155	106.3	77.5	0	0	0	0	126
171	V	31.3	Very low	35.8	Very low	124 Å²	124	129 Å²	129	75%	0.752	76%	0.764	S	S	*	*			trans	84.2	87.8	157.2	-162.1	0	0	0	0	123.3
172	S	32.9	Very low	36.4	Very low	112 Å²	112	125.5 Å²	125.5	78%	0.783	75%	0.752	S	S	*	*				62.1	-168.7	117.1	-34.1	0	0	0	0	122.1
173	P	63.2	Low	36.6	Very low	119 Å²	119	129.5 Å²	129.5	77%	0.773	76%	0.761	S	S	*	*			trans	-133.7	-142.9	-132.1	41.5	-14.8	0	0	0	112.4
174	P	63.5	Low	36.5	Very low	111 Å²	111	124.6 Å²	124.6	72%	0.721	76%	0.756	S	S	*	*			cis	-130.6	-165.5	-22.7	43.1	-26.4	0	0	0	113.2
175	T	31.8	Very low	36.3	Very low	127 Å²	127	123.8 Å²	123.8	78%	0.779	75%	0.754	S	S	*	*				167.4	174.1	122.4	-160.3	0	0	0	0	115
176	N	37.5	Very low	36.5	Very low	153 Å²	153	125.3 Å²	125.3	82%	0.818	75%	0.753	S	S	*	*			trans	-89.3	167.7	-166.2	-48.7	-70.8	0	0	0	115.7
177	G	31.1	Very low	36.7	Very low	75 Å²	75	126.1 Å²	126.1	77%	0.773	75%	0.75	S	S	*	*			trans	-163.5	144.1	164.7	0	0	0	0	0	112.5
178	I	35.3	Very low	37	Very low	163 Å²	163	123 Å²	123	84%	0.836	74%	0.743	S	S	*	*			trans	-139.5	158.2	-169.1	-66.4	172.7	0	0	0	111
179	T	32.8	Very low	36.9	Very low	149 Å²	149	124.8 Å²	124.8	91%	0.914	75%	0.748	S	S	*	*			trans	99.4	150.7	156.6	-131.1	0	0	0	0	118.5
180	G	29.1	Very low	36.9	Very low	76 Å²	76	124.6 Å²	124.6	78%	0.784	75%	0.751	S	S	*	*			trans	141.8	89.5	168.5	0	0	0	0	0	116.7
181	S	26.2	Very low	37	Very low	119 Å²	119	126 Å²	126	83%	0.832	75%	0.754	S	S	*	*			trans	-132.2	177	169.5	-125.4	0	0	0	0	107.9
182	P	57.5	Low	38	Very low	94 Å²	94	125.8 Å²	125.8	61%	0.61	76%	0.756	S	S	*	*			cis	-142.1	-174.7	-16.9	36.8	-15.3	0	0	0	115.4
183	E	33.9	Very low	37.9	Very low	167 Å²	167	125.5 Å²	125.5	78%	0.78	75%	0.754	S	S	*	*			trans	71.7	161.3	134.6	-90.2	179.8	132.3	0	0	127.2
184	T	34.7	Very low	37.7	Very low	118 Å²	118	125.1 Å²	125.1	72%	0.724	75%	0.751	S	S	*	*			trans	88.9	144.2	158.4	72.2	0	0	0	0	120.7
185	L	32.5	Very low	35.9	Very low	136 Å²	136	126.1 Å²	126.1	71%	0.712	75%	0.751	S	S	*	*			cis	-170.5	161.6	-21.8	-107.8	-176.4	0	0	0	111.9
186	L	35.3	Very low	36.1	Very low	136 Å²	136	130 Å²	130	71%	0.712	75%	0.751	S	S	*	*			trans	66.4	152.6	145.9	-68.9	170.5	0	0	0	121.9
187	D	34.3	Very low	35.8	Very low	112 Å²	112	127.6 Å²	127.6	60%	0.599	75%	0.746	S	S	*	*			cis	-171.1	174	-23.9	-150.6	-0.9	0	0	0	114.8
188	Q	37.8	Very low	35.7	Very low	147 Å²	147	134.2 Å²	134.2	69%	0.687	75%	0.748	S	S	*	*			trans	59.1	151.9	143.6	-87.1	174.6	54.1	0	0	122.6
189	E	29.9	Very low	35.7	Very low	155 Å²	155	132.8 Å²	132.8	72%	0.724	74%	0.74	S	S	*	*			cis	-165.8	-174	-18.5	-144.3	-150.5	97.8	0	0	113.1
190	V	30.9	Very low	35.7	Very low	121 Å²	121	132.3 Å²	132.3	73%	0.733	73%	0.732	S	S	*	*			trans	116.8	112.9	153.2	-177.6	0	0	0	0	116
191	V	35.2	Very low	35.8	Very low	131 Å²	131	135.4 Å²	135.4	79%	0.794	73%	0.731	S	S	*	*			trans	-147.6	124.5	-177.1	172.4	0	0	0	0	112.5
192	P	52.9	Low	36.4	Very low	120 Å²	120	136.8 Å²	136.8	78%	0.779	73%	0.728	S	S	*	*			trans	-152.2	161.8	130.4	37.6	-21.7	0	0	0	116.5
193	S	31.6	Very low	35.1	Very low	106 Å²	106	139.8 Å²	139.8	74%	0.741	73%	0.734	S	S	*	*			cis	-155	-84.6	-31.8	171.9	0	0	0	0	113.3
194	P	58.1	Low	34.9	Very low	112 Å²	112	137.8 Å²	137.8	73%	0.727	73%	0.729	S	S	*	*			trans	-138.5	159.5	-145.2	40.5	-20.8	0	0	0	119.7
195	D	26.7	Very low	34.7	Very low	132 Å²	132	137.3 Å²	137.3	71%	0.706	72%	0.722	S	S	*	*				-160.3	157	107	-158.6	14.6	0	0	0	113.2
196	R	34.2	Very low	35	Very low	207 Å²	207	138.2 Å²	138.2	78%	0.781	72%	0.72	S	S	*	*			trans	61	86	161.4	-76.4	164.4	-164.2	-117.4	-5.6	122.2
197	S	31.8	Very low	35.3	Very low	103 Å²	103	138.6 Å²	138.6	72%	0.72	73%	0.728	S	S	*	*				-5.5	159.9	121.7	70.6	0	0	0	0	119.4
198	R	29.8	Very low	35.2	Very low	215 Å²	215	140.1 Å²	140.1	81%	0.811	74%	0.736	S	S	*	*			cis	-176.3	141.1	42.8	-153.1	179.4	179.1	-171	-1.5	115.7
199	I	34	Very low	35.2	Very low	132 Å²	132	144 Å²	144	68%	0.677	74%	0.744	S	S	*	*			trans	82.5	143.6	143.9	-88.4	168.8	0	0	0	124
200	D	32.8	Very low	35.4	Very low	139 Å²	139	144.5 Å²	144.5	74%	0.743	75%	0.75	S	S	*	*			trans	-139	178.6	-170.1	-44	-109	0	0	0	110.4
201	N	31	Very low	35.7	Very low	141 Å²	141	144.3 Å²	144.3	75%	0.754	75%	0.752	S	S	*	*			cis	-131.6	-95.4	-3.9	-159.7	-99.9	0	0	0	111.2
202	L	40.4	Very low	35.8	Very low	148 Å²	148	145.4 Å²	145.4	78%	0.775	75%	0.751	S	S	*	*			cis	-163.8	149.5	-18.5	-167.1	70	0	0	0	109
203	E	29.1	Very low	34.7	Very low	157 Å²	157	147 Å²	147	73%	0.734	75%	0.753	S	S	*	*				153.2	125.2	128.8	-173.6	156.9	114.9	0	0	117.2
204	N	29.2	Very low	34.7	Very low	126 Å²	126	145.9 Å²	145.9	67%	0.674	75%	0.751	S	S	*	*			trans	58.7	153	153.4	-70.7	-23.1	0	0	0	122.9
205	D	31.6	Very low	33.5	Very low	108 Å²	108	147.3 Å²	147.3	58%	0.578	76%	0.757	S	S	*	*			cis	-158.3	174.7	-29.9	-161.5	-135	0	0	0	111.6
206	K	37.5	Very low	34	Very low	154 Å²	154	149.5 Å²	149.5	67%	0.67	76%	0.76	S	S	*	*			trans	-33.3	157.2	172.7	-52.4	160.3	-156	73.6	0	115.6
207	V	42.1	Very low	34.4	Very low	145 Å²	145	145.3 Å²	145.3	88%	0.879	76%	0.76	S	S	*	*				-168.8	179.9	66.1	-74.9	0	0	0	0	114.4
208	N	32.6	Very low	34.6	Very low	144 Å²	144	150.7 Å²	150.7	77%	0.77	76%	0.764	S	S	*	*			trans	-85.1	155.4	-173.4	-103.9	-40.3	0	0	0	116.9
209	R	37.8	Very low	35.1	Very low	227 Å²	227	146.6 Å²	146.6	86%	0.857	77%	0.766	S	S	*	*			trans	53.1	134.5	149.1	-63.3	-179.5	-176	-163.6	2.3	121.2
210	I	33.1	Very low	34.8	Very low	167 Å²	167	146 Å²	146	86%	0.856	77%	0.773	S	S	*	*			trans	-133.2	135.2	150.4	-62.3	-177.8	0	0	0	110.1
211	P	38.5	Very low	35	Very low	117 Å²	117	144.6 Å²	144.6	76%	0.76	77%	0.774	S	S	*	*			trans	-112	-160.5	179	42.9	-34.7	0	0	0	114.3
212	I	36.5	Very low	35.7	Very low	153 Å²	153	144.1 Å²	144.1	79%	0.785	78%	0.779	S	S	*	*			trans	-59.5	146	-165.8	52.4	161.4	0	0	0	120.4
213	N	30.2	Very low	35.1	Very low	153 Å²	153	140.4 Å²	140.4	82%	0.818	78%	0.776	S	S	*	*			trans	79.7	151.2	136.5	-111.3	-36.1	0	0	0	125
214	A	32.7	Very low	35.3	Very low	84 Å²	84	138 Å²	138	69%	0.694	78%	0.783	S	S	*	*			trans	64.4	123.4	155.4	0	0	0	0	0	121
215	V	30.9	Very low	35.4	Very low	141 Å²	141	136.8 Å²	136.8	86%	0.855	79%	0.791	S	S	*	*				-166.1	153.6	104.7	142.7	0	0	0	0	110.1
216	K	39.1	Very low	35.9	Very low	178 Å²	178	141.3 Å²	141.3	77%	0.774	81%	0.805	S	S	*	*			trans	-116	148.4	169.5	-139	88.2	173.8	-175.2	0	108.1
217	P	41.3	Very low	36.3	Very low	119 Å²	119	139.6 Å²	139.6	77%	0.773	81%	0.81	S	S	*	*				-136.5	165.5	113.6	27.4	-11.7	0	0	0	113.8
218	R	35.5	Very low	35.8	Very low	217 Å²	217	140.2 Å²	140.2	82%	0.819	81%	0.807	S	S	*	*			trans	-107.1	159.4	158.4	-69.2	-178.6	179.7	-103	8.1	108
219	P	41.1	Very low	36	Very low	129 Å²	129	137.5 Å²	137.5	84%	0.838	80%	0.8	S	S	*	*				-124.7	-170.8	116.9	36.3	-32	0	0	0	112.8
220	S	27.4	Very low	36.1	Very low	119 Å²	119	133.3 Å²	133.3	83%	0.832	80%	0.8	S	S	*	*			trans	-101.4	160.1	-161.7	-61.3	0	0	0	0	114.9
221	S	36.8	Very low	36.2	Very low	109 Å²	109	130.3 Å²	130.3	76%	0.762	79%	0.793	S	S	*	*			trans	-76.9	163.1	161.8	-156.2	0	0	0	0	110.3
222	P	45.6	Very low	36.4	Very low	131 Å²	131	130.3 Å²	130.3	85%	0.851	80%	0.796	S	S	*	*				-145.7	166.5	79.6	38.8	-22.1	0	0	0	115.4
223	G	27.5	Very low	36.9	Very low	70 Å²	70	130.7 Å²	130.7	72%	0.722	80%	0.799	S	S	*	*			trans	173	37.3	173.1	0	0	0	0	0	123.3
224	A	34.3	Very low	37.7	Very low	107 Å²	107	131.7 Å²	131.7	88%	0.884	80%	0.802	S	S	*	*			trans	53.9	178.5	154.4	0	0	0	0	0	122.2
225	A	32.1	Very low	38.2	Very low	100 Å²	100	137.4 Å²	137.4	83%	0.826	81%	0.811	S	S	*	*			trans	65.1	94.2	164.4	0	0	0	0	0	121.2
226	K	40.1	Very low	38.8	Very low	203 Å²	203	135.7 Å²	135.7	88%	0.883	80%	0.801	S	S	*	*			trans	-79.7	166.5	131.9	-71.9	-178.9	-178.2	-178.3	0	108.1
227	P	46.2	Very low	39.1	Very low	118 Å²	118	131.7 Å²	131.7	77%	0.766	80%	0.802	S	S	*	*			cis	-123.8	-161.2	19.3	36.1	-13.8	0	0	0	111.8
228	L	33.1	Very low	39.3	Very low	159 Å²	159	132.8 Å²	132.8	83%	0.832	81%	0.806	S	S	*	*			cis	-146.5	-145.1	10.8	-144.7	159.8	0	0	0	109.4
229	S	35.1	Very low	39.7	Very low	87 Å²	87	131 Å²	131	61%	0.608	81%	0.809	S	S	*	*			trans	-157.7	139	171.2	175.3	0	0	0	0	108.8
230	T	42	Very low	40.2	Very low	139 Å²	139	133 Å²	133	85%	0.853	81%	0.807	S	S	*	*			trans	-125.9	74.8	-170.3	50.3	0	0	0	0	112.6
231	S	35	Very low	41.2	Very low	104 Å²	104	136 Å²	136	73%	0.727	81%	0.808	S	S	*	*			trans	-144	41.8	175.7	57.3	0	0	0	0	114.5
232	S	41.4	Very low	41.2	Very low	116 Å²	116	139.3 Å²	139.3	81%	0.811	81%	0.811	S	S	*	*			trans	-142.8	65.6	175.2	-74	0	0	0	0	112.5
233	L	46.6	Very low	40.5	Very low	162 Å²	162	136.7 Å²	136.7	85%	0.848	80%	0.801	S	S	*	*			trans	-129.8	17.4	-174	-101.8	173	0	0	0	116.3
234	I	48.4	Very low	40.9	Very low	174 Å²	174	144.3 Å²	144.3	89%	0.892	81%	0.808	S	S	*	*	S	Bend	trans	-120.5	44.9	173.9	-40.2	-178.5	0	0	0	110.7
235	K	42.9	Very low	40.8	Very low	203 Å²	203	147 Å²	147	88%	0.883	81%	0.806	S	S	*	*	S	Bend	trans	-148	18.6	176.6	-138.5	171.9	-174.5	176	0	115.3
236	V	43.3	Very low	40.7	Very low	105 Å²	105	149.1 Å²	149.1	64%	0.636	80%	0.804	S	S	*	*			trans	-139.2	55.2	-179.9	-162.7	0	0	0	0	110.8
237	A	46.1	Very low	40.2	Very low	95 Å²	95	148.6 Å²	148.6	79%	0.785	81%	0.805	S	S	*	*	S	Bend	trans	-125.9	-5.9	-178.8	0	0	0	0	0	114.8
238	V	45	Very low	39.4	Very low	142 Å²	142	146.6 Å²	146.6	86%	0.861	81%	0.805	S	S	*	*	S	Bend	trans	-136.1	19.6	-175.3	-160.2	0	0	0	0	112.1
239	M	44	Very low	39.3	Very low	179 Å²	179	143.1 Å²	143.1	88%	0.882	81%	0.808	S	S	*	*	S	Bend	trans	-135.3	1	179.2	-77.2	-172.8	69	0	0	115	Q241	M239-Q241 PolarHBondContact O-N 3.46Å
240	Q	51.8	Low	39.1	Very low	171 Å²	171	142.3 Å²	142.3	80%	0.799	81%	0.813	S	S	*	*			trans	-94.4	60.7	178.1	-168.1	161.1	41.8	0	0	112.2
241	Q	47.1	Very low	38.7	Very low	183 Å²	183	146.1 Å²	146.1	86%	0.855	81%	0.813	S	S	*	*	S	Bend	trans	-163.6	62.3	162.8	-117.6	173.3	34.3	0	0	112.4	M239	M239-Q241 PolarHBondContact O-N 3.46Å
242	Q	37.8	Very low	38.6	Very low	177 Å²	177	149.1 Å²	149.1	83%	0.827	82%	0.816	S	S	*	*			trans	-168.2	143.4	143.4	-149.3	60.9	-5.4	0	0	112.6
243	A	30.3	Very low	38.1	Very low	77 Å²	77	148.4 Å²	148.4	64%	0.636	82%	0.817	S	S	*	*			trans	69.9	136.6	160.7	0	0	0	0	0	117.5
244	R	36.7	Very low	37.4	Very low	230 Å²	230	152.2 Å²	152.2	87%	0.868	82%	0.82	S	S	*	*			cis	-143.5	151.2	-4	-71.3	-60.2	177.4	151	-4	110.6
245	L	31.1	Very low	36.5	Very low	162 Å²	162	148.4 Å²	148.4	85%	0.848	81%	0.809	S	S	*	*			trans	173.2	118.9	132.1	-89.3	161.6	0	0	0	104
246	D	31.4	Very low	37.1	Very low	145 Å²	145	144.6 Å²	144.6	78%	0.775	81%	0.805	S	S	*	*			cis	95	143.7	45.9	-161.7	23.7	0	0	0	112.5
247	E	29.4	Very low	36.9	Very low	193 Å²	193	150.2 Å²	150.2	90%	0.902	82%	0.815	S	S	*	*			trans	62.4	148.9	-177	-142.4	171.2	117.5	0	0	117.9
248	G	29.9	Very low	36.2	Very low	76 Å²	76	150.5 Å²	150.5	78%	0.784	81%	0.811	S	S	*	*			trans	133.6	-19.1	153.7	0	0	0	0	0	122.5
249	G	29.9	Very low	35.6	Very low	86 Å²	86	150.3 Å²	150.3	89%	0.887	81%	0.81	S	S	*	*			trans	72.6	-177.1	171.2	0	0	0	0	0	118.5
250	G	30.8	Very low	35	Very low	69 Å²	69	148 Å²	148	71%	0.711	81%	0.806	S	S	*	*			trans	114.4	64.3	166.4	0	0	0	0	0	120.2
251	Y	33	Very low	34.1	Very low	220 Å²	220	145.9 Å²	145.9	86%	0.863	81%	0.81	S	S	*	*			trans	53	124.8	147.8	-63.1	-71.4	0	0	0	124.1
252	Q	33.4	Very low	33.4	Very low	166 Å²	166	142 Å²	142	78%	0.776	80%	0.804	S	S	*	*			trans	70	103.2	140.2	-62.4	-68.4	-9.2	0	0	121.2
253	A	30.2	Very low	33.9	Very low	102 Å²	102	139.9 Å²	139.9	84%	0.843	81%	0.805	S	S	*	*			trans	-138.8	142.5	144	0	0	0	0	0	109.2
254	R	32.2	Very low	34.2	Very low	241 Å²	241	147.1 Å²	147.1	91%	0.909	82%	0.816	S	S	*	*			trans	-88.6	148.2	-172.5	-79	-172.3	172.6	-165.7	-0.3	113.9
255	S	30	Very low	34.1	Very low	94 Å²	94	141.5 Å²	141.5	66%	0.657	81%	0.811	S	S	*	*			trans	-79.8	166.1	163.3	-143.9	0	0	0	0	110.7
256	P	55.1	Low	34.1	Very low	124 Å²	124	138.6 Å²	138.6	81%	0.805	81%	0.811	S	S	*	*				-114.9	160.3	56	4.4	18.8	0	0	0	113.1
257	R	40.5	Very low	34.7	Very low	222 Å²	222	141.3 Å²	141.3	84%	0.838	82%	0.816	S	S	*	*			cis	88.4	133.9	21.6	-159.5	-173	-128.9	-159.2	5.2	115.1
258	S	30.7	Very low	34.8	Very low	101 Å²	101	141 Å²	141	71%	0.706	82%	0.815	S	S	*	*			trans	106.6	142.6	161.6	-55	0	0	0	0	116.8
259	V	31.9	Very low	34.9	Very low	139 Å²	139	144.2 Å²	144.2	84%	0.842	81%	0.813	S	S	*	*			cis	-155.2	164.5	-27.2	-89.5	0	0	0	0	109.5
260	T	31.3	Very low	35.1	Very low	131 Å²	131	145.1 Å²	145.1	80%	0.804	81%	0.806	S	S	*	*			trans	-84.1	156.2	174.2	46.5	0	0	0	0	113.9
261	S	33.4	Very low	35.2	Very low	125 Å²	125	148.4 Å²	148.4	87%	0.874	81%	0.812	S	S	*	*				170.7	164.5	119.8	48.6	0	0	0	0	113.9
262	S	31.6	Very low	35.2	Very low	103 Å²	103	142.5 Å²	142.5	72%	0.72	80%	0.803	S	S	*	*			trans	-127.6	159.8	170.4	167.8	0	0	0	0	108.1
263	P	49.9	Very low	35.3	Very low	131 Å²	131	143.6 Å²	143.6	85%	0.851	81%	0.806	S	S	*	*				-142.7	-160.5	122.4	38.5	-23.5	0	0	0	113.9
264	R	35.6	Very low	35.7	Very low	230 Å²	230	150 Å²	150	87%	0.868	81%	0.808	S	S	*	*			trans	-148.8	150.6	-154.1	-166.5	-166.5	-173.7	-172.6	3.5	112.7
265	S	35.9	Very low	35.8	Very low	111 Å²	111	143.3 Å²	143.3	78%	0.776	80%	0.798	S	S	*	*			trans	82.9	165.4	150.8	80.8	0	0	0	0	122.4
266	A	31	Very low	36	Very low	101 Å²	101	143.9 Å²	143.9	84%	0.835	80%	0.802	S	S	*	*			trans	91.2	140.5	160.6	0	0	0	0	0	120.1
267	K	42.2	Very low	35.1	Very low	203 Å²	203	141.6 Å²	141.6	88%	0.883	79%	0.794	S	S	*	*			trans	-114.3	158.1	168.6	-60.5	178.5	177.2	-177.5	0	108.5
268	Q	32.8	Very low	34.9	Very low	187 Å²	187	141 Å²	141	87%	0.874	80%	0.798	S	S	*	*				-177.4	165	121.8	-89.2	-138.4	-95.4	0	0	111.2
269	D	32.3	Very low	35.1	Very low	142 Å²	142	140.8 Å²	140.8	76%	0.759	80%	0.802	S	S	*	*			trans	-77.3	165.2	-172.3	-54.8	-104.2	0	0	0	115.5
270	S	33.4	Very low	35.2	Very low	106 Å²	106	138.8 Å²	138.8	74%	0.741	80%	0.8	S	S	*	*				167.1	136.2	112.9	52.6	0	0	0	0	115.1
271	V	33	Very low	35.7	Very low	137 Å²	137	142.7 Å²	142.7	83%	0.83	81%	0.806	S	S	*	*			trans	43.5	152.8	157.5	-92.2	0	0	0	0	121.8
272	S	32.8	Very low	35.6	Very low	97 Å²	97	140.3 Å²	140.3	68%	0.678	80%	0.8	S	S	*	*			cis	-162.5	141.2	20.7	-134.2	0	0	0	0	116.7
273	K	35.6	Very low	36	Very low	189 Å²	189	142.1 Å²	142.1	82%	0.822	81%	0.808	S	S	*	*			trans	70.4	137.9	136.3	-108.3	171.2	-177.3	168.4	0	125.4
274	R	38.1	Very low	36	Very low	235 Å²	235	141.1 Å²	141.1	89%	0.887	80%	0.801	S	S	*	*			trans	67.7	135	165.4	-70.8	-177.6	166.9	167.5	-4.7	115.3
275	S	34.7	Very low	36.3	Very low	101 Å²	101	137.8 Å²	137.8	71%	0.706	80%	0.799	S	S	*	*			cis	-172.2	174	4.1	-115.9	0	0	0	0	108.5
276	S	35.4	Very low	36.9	Very low	106 Å²	106	138.2 Å²	138.2	74%	0.741	80%	0.799	S	S	*	*			cis	173.5	149.4	-22.7	49	0	0	0	0	107.3
277	A	36	Very low	37.1	Very low	77 Å²	77	138.8 Å²	138.8	64%	0.636	80%	0.797	S	S	*	*			cis	-169.6	-169.7	-7.9	0	0	0	0	0	108.8
278	F	35.6	Very low	37.7	Very low	210 Å²	210	135.6 Å²	135.6	92%	0.921	80%	0.797	S	S	*	*			trans	70	143.3	179.7	-51.7	-80.3	0	0	0	115.8
279	A	34.5	Very low	37.7	Very low	96 Å²	96	132.1 Å²	132.1	79%	0.793	79%	0.793	S	S	*	*			cis	-163.1	176.1	-21.6	0	0	0	0	0	106.9
280	A	34.7	Very low	38	Very low	96 Å²	96	130.6 Å²	130.6	79%	0.793	79%	0.793	S	S	*	*			cis	-145.2	-140.2	2.7	0	0	0	0	0	110
281	K	40.4	Very low	38	Very low	214 Å²	214	136 Å²	136	93%	0.93	80%	0.798	S	S	*	*			trans	-153.4	163.9	172.5	-72.6	-171.1	177.3	-176.8	0	111.6
282	G	31.6	Very low	37.9	Very low	74 Å²	74	136 Å²	136	76%	0.763	79%	0.793	S	S	*	*			trans	178.9	106.5	163.6	0	0	0	0	0	117.4
283	T	39.7	Very low	38.1	Very low	142 Å²	142	136.4 Å²	136.4	87%	0.871	80%	0.796	S	S	*	*			trans	-159.3	159.2	164.8	11.7	0	0	0	0	107.3
284	P	50.8	Low	39.1	Very low	110 Å²	110	133.1 Å²	133.1	71%	0.714	79%	0.794	S	S	*	*			cis	-135.8	-170	7.4	42.7	-23.4	0	0	0	116.2
285	I	41.2	Very low	39	Very low	159 Å²	159	128.4 Å²	128.4	82%	0.815	79%	0.785	S	S	*	*			trans	-4.6	131.8	150.9	-62.7	168.9	0	0	0	116.2
286	P	50.2	Low	39.7	Very low	121 Å²	121	129.9 Å²	129.9	79%	0.786	79%	0.792	S	S	*	*				-151.2	-174.7	69.3	42.2	-21.8	0	0	0	118.5
287	S	35.3	Very low	39.7	Very low	112 Å²	112	132 Å²	132	78%	0.783	79%	0.789	S	S	*	*			trans	-91.5	161.3	-179.4	-39.3	0	0	0	0	115.3
288	P	53.5	Low	39.5	Very low	136 Å²	136	134.3 Å²	134.3	88%	0.883	80%	0.8	S	S	*	*			trans	-132.1	-178.7	144.1	38.4	-25.8	0	0	0	113.6
289	S	32.6	Very low	39.3	Very low	115 Å²	115	131.5 Å²	131.5	80%	0.804	79%	0.79	S	S	*	*			trans	-129.3	153.1	-173.5	171.8	0	0	0	0	112.4
290	S	39.2	Very low	39	Very low	109 Å²	109	132 Å²	132	76%	0.762	79%	0.787	S	S	*	*			trans	179.4	131.7	143.3	-84.8	0	0	0	0	115.3
291	R	34.3	Very low	38.8	Very low	221 Å²	221	133.8 Å²	133.8	83%	0.834	79%	0.788	S	S	*	*			trans	70.3	133.8	135.8	-160	166.6	-172.8	160.5	4.5	118.1
292	D	29.7	Very low	38.3	Very low	137 Å²	137	129 Å²	129	73%	0.733	78%	0.782	S	S	*	*			cis	-146	-170.3	47.9	-124.6	-31.7	0	0	0	116.2
293	S	38	Very low	38.4	Very low	104 Å²	104	130.9 Å²	130.9	73%	0.727	78%	0.783	S	S	*	*			trans	-153.8	-177.4	-173.6	-132.5	0	0	0	0	110.8
294	P	55.9	Low	38.8	Very low	120 Å²	120	130.4 Å²	130.4	78%	0.779	78%	0.782	S	S	*	*			cis	-137.4	-159.5	6.3	43.1	-22.2	0	0	0	116
295	L	36.6	Very low	37.7	Very low	137 Å²	137	128.5 Å²	128.5	72%	0.717	78%	0.782	S	S	*	*			trans	-79.4	179.7	-173.8	-56.1	165.7	0	0	0	114.9	F297	L295-F297 HydrophobicContact CD1-CD2 4.1Å; L295-F297 HydrophobicContact CD1-CE2 3.95Å
296	P	49.7	Very low	38.4	Very low	131 Å²	131	126.9 Å²	126.9	85%	0.851	78%	0.782	S	S	*	*				-138.9	166.1	91.4	39.7	-28.1	0	0	0	116.6
297	F	33.9	Very low	37.5	Very low	152 Å²	152	127.9 Å²	127.9	67%	0.667	79%	0.787	S	S	*	*			trans	-88.8	160.1	174.4	-92	-108.8	0	0	0	113.2	L295 H299	L295-F297 HydrophobicContact CD1-CD2 4.1Å; L295-F297 HydrophobicContact CD1-CE2 3.95Å; F297-H299 AromaticContact CD1-NE2 3.66Å
298	S	31.7	Very low	37.3	Very low	125 Å²	125	127.7 Å²	127.7	87%	0.874	79%	0.785	S	S	*	*			trans	-163.5	159.9	142.7	-83.1	0	0	0	0	111.3
299	H	31.3	Very low	36.3	Very low	151 Å²	151	131.5 Å²	131.5	70%	0.699	78%	0.783	S	S	*	*			trans	-121.4	150.3	-166.3	-74.8	-111.1	0	0	0	114.2	F297	F297-H299 AromaticContact CD1-NE2 3.66Å
300	S	29.7	Very low	36.3	Very low	107 Å²	107	130.5 Å²	130.5	75%	0.748	78%	0.782	S	S	*	*			trans	58.8	146.4	146	-58	0	0	0	0	121.6
301	V	30.2	Very low	35.8	Very low	133 Å²	133	134.8 Å²	134.8	81%	0.806	79%	0.79	S	S	*	*				160.3	132.5	120.5	159.4	0	0	0	0	112.5
302	S	29.7	Very low	35.8	Very low	114 Å²	114	131.3 Å²	131.3	80%	0.797	78%	0.781	S	S	*	*			trans	62.8	130.2	157.3	-67.2	0	0	0	0	124.2
303	S	32.8	Very low	35.9	Very low	113 Å²	113	131.2 Å²	131.2	79%	0.79	79%	0.785	S	S	*	*			trans	-78	-170.4	150.2	-48.6	0	0	0	0	110.4
304	P	48.3	Very low	35.5	Very low	131 Å²	131	132.5 Å²	132.5	85%	0.851	78%	0.78	S	S	*	*			cis	-141.3	-170.9	3.1	45.1	-26.7	0	0	0	115.8
305	G	29.1	Very low	34.4	Very low	70 Å²	70	135.6 Å²	135.6	72%	0.722	78%	0.783	S	S	*	*			trans	136.4	133	147	0	0	0	0	0	116.9
306	P	55.9	Low	34.1	Very low	126 Å²	126	133.7 Å²	133.7	82%	0.818	78%	0.781	S	S	*	*			trans	-123.4	164.8	-175.6	41.8	-30.7	0	0	0	116.2
307	T	30.5	Very low	33.1	Very low	142 Å²	142	136.6 Å²	136.6	87%	0.871	78%	0.781	S	S	*	*			trans	-148.4	158.4	159.2	52.8	0	0	0	0	110.6
308	S	30.8	Very low	33.1	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	79%	0.793	S	S	*	*			cis	167.1	92.6	-38.3	166.6	0	0	0	0	109.9
309	Y	33.7	Very low	32.9	Very low	216 Å²	216	144.8 Å²	144.8	85%	0.847	80%	0.796	S	S	*	*			trans	-161.7	137.1	141.8	77.6	-77	0	0	0	107.9
310	A	31.3	Very low	32.9	Very low	93 Å²	93	142.6 Å²	142.6	77%	0.769	80%	0.798	S	S	*	*			cis	86.1	93.5	9.4	0	0	0	0	0	116.9
311	E	28.1	Very low	33	Very low	200 Å²	200	142.8 Å²	142.8	94%	0.935	80%	0.799	S	S	*	*			trans	-132.5	151.4	149.8	-165.7	168.3	164.9	0	0	109
312	K	34.9	Very low	33.4	Very low	147 Å²	147	142.7 Å²	142.7	64%	0.639	80%	0.799	S	S	*	*			trans	-162.8	116.9	-145.7	165.8	-117.1	176.9	-163.4	0	115.5
313	V	31.6	Very low	34.2	Very low	135 Å²	135	142.3 Å²	142.3	82%	0.818	79%	0.794	S	S	*	*			trans	-149.1	112.6	154.4	-172.2	0	0	0	0	106.3
314	Q	30.9	Very low	34.7	Very low	132 Å²	132	143 Å²	143	62%	0.617	80%	0.795	S	S	*	*			cis	84.7	100.6	30.2	-162	-174.1	4.1	0	0	115.5
315	H	32	Very low	33.9	Very low	185 Å²	185	141.9 Å²	141.9	86%	0.856	80%	0.797	S	S	*	*			trans	-150	162	150.3	-87.3	-63.1	0	0	0	111.5
316	S	29.7	Very low	34.2	Very low	97 Å²	97	143.6 Å²	143.6	68%	0.678	80%	0.804	S	S	*	*			trans	-76.9	132.8	-165.4	38.2	0	0	0	0	115.2
317	F	30.1	Very low	33	Very low	192 Å²	192	143.2 Å²	143.2	84%	0.842	81%	0.805	S	S	*	*				65.1	121.1	80.3	-71.2	-63.7	0	0	0	116.7
318	H	32.9	Very low	33.2	Very low	200 Å²	200	141 Å²	141	93%	0.926	80%	0.795	S	S	*	*				-169.6	108.8	129.9	-97.1	-63.7	0	0	0	111.9
319	R	28	Very low	33.3	Very low	248 Å²	248	142.9 Å²	142.9	94%	0.936	80%	0.797	S	S	*	*			trans	-153.4	142.5	151.7	-156.2	175.6	-167.8	-164	2.5	108.8
320	S	30.3	Very low	33.5	Very low	106 Å²	106	138.7 Å²	138.7	74%	0.741	79%	0.793	S	S	*	*			trans	-112.6	148.6	-176.9	-171.1	0	0	0	0	111.4
321	S	32.5	Very low	34.2	Very low	110 Å²	110	139.7 Å²	139.7	77%	0.769	79%	0.792	S	S	*	*			trans	-152.4	115.7	-176.5	-58	0	0	0	0	111.9
322	V	39.2	Very low	34.4	Very low	131 Å²	131	134.3 Å²	134.3	79%	0.794	78%	0.777	S	S	*	*			trans	-159	160.8	170.4	-128.5	0	0	0	0	109.4
323	P	46.1	Very low	34.2	Very low	107 Å²	107	135.7 Å²	135.7	70%	0.695	79%	0.785	S	S	*	*				-126.8	179.6	-84.2	43.2	-30.3	0	0	0	113.6
324	P	41.9	Very low	34.3	Very low	127 Å²	127	135 Å²	135	83%	0.825	78%	0.784	S	S	*	*			trans	-84.7	160.1	156.2	35.4	-33.1	0	0	0	112.2
325	A	32.4	Very low	35.2	Very low	108 Å²	108	133.8 Å²	133.8	89%	0.893	79%	0.788	S	S	*	*			trans	-129.9	164.8	172.6	0	0	0	0	0	110.7
326	A	34.8	Very low	35.1	Very low	105 Å²	105	130.6 Å²	130.6	87%	0.868	78%	0.782	S	S	*	*			trans	-120.6	163.3	-161.8	0	0	0	0	0	114.9
327	S	32.2	Very low	35.3	Very low	119 Å²	119	133.6 Å²	133.6	83%	0.832	79%	0.785	S	S	*	*			trans	-154.8	154.6	151.4	62.4	0	0	0	0	112.6
328	S	34	Very low	35.3	Very low	94 Å²	94	130.1 Å²	130.1	66%	0.657	78%	0.775	S	S	*	*			trans	-46.7	163.6	171.8	-136.5	0	0	0	0	114.2
329	D	33.1	Very low	35.4	Very low	149 Å²	149	126.2 Å²	126.2	80%	0.797	77%	0.766	S	S	*	*			cis	-156.1	177.3	47.2	-95.8	-46.6	0	0	0	116.6
330	V	37	Very low	35.7	Very low	127 Å²	127	118.9 Å²	118.9	77%	0.77	75%	0.752	S	S	*	*			trans	-137.1	136.9	-173.4	168.4	0	0	0	0	106.7
331	P	47.1	Very low	35.7	Very low	114 Å²	114	120 Å²	120	74%	0.74	75%	0.754	S	S	*	*				-161	159.6	82.4	43.9	-22.4	0	0	0	121.7
332	S	32.2	Very low	35.8	Very low	88 Å²	88	120.8 Å²	120.8	62%	0.615	75%	0.754	S	S	*	*			trans	84	131.8	131.9	-90.9	0	0	0	0	125.5
333	H	31.1	Very low	36.6	Very low	176 Å²	176	119.6 Å²	119.6	82%	0.815	75%	0.749	S	S	*	*			trans	72.8	93.3	142.8	-56.6	-43.4	0	0	0	122
334	C	32.4	Very low	35.7	Very low	119 Å²	119	123.3 Å²	123.3	80%	0.804	76%	0.757	S	S	*	*			trans	-61.4	162.5	133.7	-50.4	0	0	0	0	110.2
335	P	50.8	Low	35.4	Very low	107 Å²	107	122.3 Å²	122.3	70%	0.695	75%	0.753	S	S	*	*				-155.4	163.4	71.1	41.4	-21.5	0	0	0	118.9
336	T	28.8	Very low	35.9	Very low	119 Å²	119	122.8 Å²	122.8	73%	0.73	75%	0.747	S	S	*	*			trans	62.3	156.6	146.6	52.7	0	0	0	0	118.7
337	Q	33.7	Very low	35.6	Very low	159 Å²	159	123.2 Å²	123.2	74%	0.743	74%	0.744	S	S	*	*			cis	-170.4	167.5	-7.9	-114	179.8	-69	0	0	107.8
338	D	29.9	Very low	35.5	Very low	119 Å²	119	123.8 Å²	123.8	64%	0.636	74%	0.742	S	S	*	*			cis	-163.7	-169.6	-12.2	-146.4	-28.4	0	0	0	109.5
339	V	35.3	Very low	35.4	Very low	119 Å²	119	124.5 Å²	124.5	72%	0.721	75%	0.747	S	S	*	*			trans	38.9	138	141.6	165.7	0	0	0	0	120.8
340	S	33.9	Very low	35.8	Very low	93 Å²	93	123.3 Å²	123.3	65%	0.65	75%	0.747	S	S	*	*			cis	-179	163.6	-16.6	-82.4	0	0	0	0	109
341	V	32.2	Very low	35.4	Very low	130 Å²	130	122.4 Å²	122.4	79%	0.788	75%	0.747	S	S	*	*			trans	66.1	112.1	155	166	0	0	0	0	116.8
342	V	34.3	Very low	35.6	Very low	127 Å²	127	122.3 Å²	122.3	77%	0.77	75%	0.746	S	S	*	*				69.1	137.6	62.9	176.9	0	0	0	0	112.5
343	P	54.9	Low	35.3	Very low	106 Å²	106	126 Å²	126	69%	0.688	76%	0.758	S	S	*	*			cis	-130.4	-167.5	4.2	34	-11.7	0	0	0	116
344	E	28.4	Very low	35.6	Very low	185 Å²	185	125.6 Å²	125.6	86%	0.864	76%	0.761	S	S	*	*			trans	110.2	137.4	135.5	-135.1	167.8	144	0	0	120.2
345	S	34.6	Very low	35.9	Very low	105 Å²	105	126 Å²	126	73%	0.734	76%	0.762	S	S	*	*			trans	-103.6	165.9	-173.4	-36.6	0	0	0	0	110.9
346	P	43.5	Very low	34.9	Very low	119 Å²	119	129.1 Å²	129.1	77%	0.773	77%	0.767	S	S	*	*				-161.6	146.8	76	39.9	-17.7	0	0	0	120.1
347	S	27.7	Very low	34.8	Very low	114 Å²	114	131.5 Å²	131.5	80%	0.797	78%	0.775	S	S	*	*			trans	60.9	164.9	130.5	-152.6	0	0	0	0	124.3
348	V	30.7	Very low	34.4	Very low	131 Å²	131	129.8 Å²	129.8	79%	0.794	77%	0.771	S	S	*	*			trans	87.1	118.6	162.2	-170.2	0	0	0	0	119.7
349	S	31.5	Very low	34.3	Very low	109 Å²	109	129.3 Å²	129.3	76%	0.762	78%	0.777	S	S	*	*			trans	-93	162.1	164.5	-38	0	0	0	0	111.8
350	P	41.8	Very low	33.9	Very low	124 Å²	124	131 Å²	131	81%	0.805	78%	0.781	S	S	*	*				-151.1	165.8	107.4	39.2	-23.1	0	0	0	116.8
351	S	28.9	Very low	34.6	Very low	108 Å²	108	130.9 Å²	130.9	76%	0.755	78%	0.779	S	S	*	*			trans	-86.7	-170.3	165.5	-39.9	0	0	0	0	110.5
352	P	50.1	Low	34.5	Very low	112 Å²	112	132.7 Å²	132.7	73%	0.727	78%	0.778	S	S	*	*			cis	-143.4	-164.1	5.2	35.7	-10.6	0	0	0	116.4
353	L	26.7	Very low	34.2	Very low	165 Å²	165	137.3 Å²	137.3	86%	0.864	78%	0.782	S	S	*	*			trans	114.3	140.5	154.8	-60.4	176.4	0	0	0	118.3
354	L	37.7	Very low	32.8	Very low	168 Å²	168	137.8 Å²	137.8	88%	0.88	79%	0.788	S	S	*	*			trans	-124.1	159.4	176.4	-79.7	167.9	0	0	0	109.8
355	P	38.7	Very low	32.8	Very low	128 Å²	128	134 Å²	134	83%	0.831	78%	0.777	S	S	*	*			trans	-124.2	159.1	141.5	3.5	18.8	0	0	0	113.6
356	Q	29.3	Very low	32.4	Very low	171 Å²	171	138 Å²	138	80%	0.799	78%	0.782	S	S	*	*			trans	-84.8	166.5	176.5	-57.8	176.6	-62.1	0	0	113.3
357	L	26.5	Very low	32.1	Very low	170 Å²	170	139.4 Å²	139.4	89%	0.89	78%	0.778	S	S	*	*			trans	-158.7	168.6	135.4	-110.2	160.5	0	0	0	111.6
358	N	26	Very low	32.2	Very low	123 Å²	123	136.7 Å²	136.7	66%	0.658	77%	0.768	S	S	*	*			trans	-117.1	171.4	-156.1	-63.1	-33.4	0	0	0	115.2
359	S	28.4	Very low	32.5	Very low	109 Å²	109	137 Å²	137	76%	0.762	77%	0.771	S	S	*	*			trans	108.5	106.5	143.7	-32.8	0	0	0	0	119.2
360	D	25.8	Very low	32.6	Very low	153 Å²	153	138.3 Å²	138.3	82%	0.818	77%	0.774	S	S	*	*				20.5	166	108.9	-85.4	-71.2	0	0	0	122
361	P	49.5	Very low	32.3	Very low	92 Å²	92	136.5 Å²	136.5	60%	0.597	77%	0.769	S	S	*	*			cis	-141.7	-173.7	13.1	23.6	3.9	0	0	0	118.3
362	H	29	Very low	32.4	Very low	167 Å²	167	138 Å²	138	77%	0.773	77%	0.774	S	S	*	*			trans	111.5	151.1	147.3	-59.5	-51.6	0	0	0	118.8
363	R	28.7	Very low	31.6	Very low	224 Å²	224	137.3 Å²	137.3	85%	0.845	77%	0.772	S	S	*	*			cis	-179.6	134.2	-27	177.2	-177.3	-174.8	-178	2.9	110.6
364	S	24.7	Very low	32.1	Very low	117 Å²	117	136.4 Å²	136.4	82%	0.818	77%	0.768	S	S	*	*			trans	-171.4	160.1	145.9	-157.6	0	0	0	0	113
365	T	28.3	Very low	32.1	Very low	104 Å²	104	135 Å²	135	64%	0.638	76%	0.761	S	S	*	*			trans	-163.3	144.8	-164.7	-49.2	0	0	0	0	115.9
366	F	26.3	Very low	32.1	Very low	189 Å²	189	137.1 Å²	137.1	83%	0.829	76%	0.762	S	S	*	*			trans	-173.2	152.3	145.3	-122.2	-128.1	0	0	0	107.8
367	E	38	Very low	32.3	Very low	150 Å²	150	135.8 Å²	135.8	70%	0.701	76%	0.76	S	S	*	*			cis	86.7	139.7	16.1	-56	-173.8	80.5	0	0	116
368	G	30.5	Very low	32.6	Very low	57 Å²	57	130.5 Å²	130.5	59%	0.588	75%	0.747	S	S	*	*			cis	-156.7	156.9	-1.3	0	0	0	0	0	112.8
369	T	35.4	Very low	32.8	Very low	137 Å²	137	131 Å²	131	84%	0.84	76%	0.755	S	S	*	*				72.3	149.4	91.2	63.4	0	0	0	0	114.5
370	T	35.5	Very low	32.8	Very low	137 Å²	137	129.8 Å²	129.8	84%	0.84	75%	0.751	S	S	*	*			cis	-145.2	-159.3	19.3	51.4	0	0	0	0	110.3
371	A	34.7	Very low	33.1	Very low	85 Å²	85	128.8 Å²	128.8	70%	0.702	75%	0.75	S	S	*	*				-161.4	-160.4	-59.2	0	0	0	0	0	110.1
372	V	30.3	Very low	32.3	Very low	140 Å²	140	133.8 Å²	133.8	85%	0.848	77%	0.766	S	S	*	*			trans	82.4	117.9	173.5	-172.7	0	0	0	0	115.7
373	S	34.6	Very low	32.1	Very low	98 Å²	98	132.3 Å²	132.3	69%	0.685	76%	0.763	S	S	*	*				78	145.6	67.6	-105.8	0	0	0	0	114.7
374	D	37.2	Very low	32.1	Very low	146 Å²	146	127 Å²	127	78%	0.781	76%	0.761	S	S	*	*			cis	-155.6	-163.5	19.5	-137.8	-79.3	0	0	0	114.9
375	D	37.9	Very low	32.3	Very low	137 Å²	137	128.7 Å²	128.7	73%	0.733	76%	0.756	S	S	*	*			trans	-81.9	174.8	-160.2	-138.6	-90.5	0	0	0	120.5
376	M	37.3	Very low	32.5	Very low	173 Å²	173	130.2 Å²	130.2	85%	0.852	76%	0.756	S	S	*	*			trans	168.2	162.2	137.8	-165.2	45.9	55.2	0	0	115.6
377	D	34.8	Very low	32.9	Very low	143 Å²	143	128.9 Å²	128.9	77%	0.765	75%	0.749	S	S	*	*			trans	-128.6	164.7	-151.9	176.2	44.8	0	0	0	118.1
378	G	31.3	Very low	32.9	Very low	59 Å²	59	133 Å²	133	61%	0.608	76%	0.759	S	S	*	*			trans	87.8	166.4	153.3	0	0	0	0	0	120.5
379	T	30	Very low	33.1	Very low	134 Å²	134	141.6 Å²	141.6	82%	0.822	77%	0.773	S	S	*	*			cis	-170.5	156.2	-17.4	-106.6	0	0	0	0	112.8
380	A	30.1	Very low	33.2	Very low	83 Å²	83	144.7 Å²	144.7	69%	0.686	78%	0.775	S	S	*	*			trans	76.6	107	156.8	0	0	0	0	0	125.3
381	V	31.7	Very low	32.9	Very low	132 Å²	132	148.1 Å²	148.1	80%	0.8	77%	0.774	S	S	*	*				51.2	128.7	112.4	177.4	0	0	0	0	122.4
382	Q	31.1	Very low	33	Very low	198 Å²	198	154.7 Å²	154.7	93%	0.925	78%	0.781	S	S	*	*				-143.4	164	128.4	-113.2	-170.6	51.6	0	0	112.6
383	N	25.3	Very low	33.4	Very low	135 Å²	135	152 Å²	152	72%	0.722	77%	0.766	S	S	*	*			trans	-141.8	140.5	-159.1	173.8	8.9	0	0	0	111.6
384	S	28.4	Very low	33.6	Very low	114 Å²	114	157.1 Å²	157.1	80%	0.797	77%	0.77	S	S	*	*			trans	-160.5	138.7	147.2	40.9	0	0	0	0	113
385	E	30.6	Very low	33.5	Very low	151 Å²	151	157.4 Å²	157.4	71%	0.706	77%	0.772	S	S	*	*			trans	-77.5	170.3	171.4	-25.1	155.1	93.1	0	0	111.1
386	H	31.7	Very low	33.4	Very low	137 Å²	137	159.4 Å²	159.4	63%	0.634	77%	0.774	S	S	*	*				-177.8	121.4	116	-93.3	12.2	0	0	0	115.8
387	K	33.8	Very low	33.5	Very low	160 Å²	160	156 Å²	156	70%	0.696	77%	0.768	S	S	*	*			trans	56.5	106.5	130.8	-61.7	159.4	-171.8	160.6	0	120.3
388	R	38.4	Very low	33.4	Very low	238 Å²	238	155.6 Å²	155.6	90%	0.898	77%	0.77	S	S	*	*			trans	4.4	132.1	144.3	-60.9	175.9	169.7	-165.7	-2.8	118.1
389	R	36	Very low	33.5	Very low	237 Å²	237	159.7 Å²	159.7	89%	0.894	78%	0.778	S	S	*	*				178	121.8	105.2	-96.3	168	-165.6	-121.4	4.4	115.4
390	K	35.8	Very low	33.9	Very low	201 Å²	201	161.7 Å²	161.7	87%	0.874	78%	0.783	S	S	*	*			trans	31.2	113.5	139.7	-60.5	-171.2	175.5	-170.7	0	119.5
391	Y	29.9	Very low	34	Very low	209 Å²	209	165.4 Å²	165.4	82%	0.82	79%	0.791	S	S	*	*			trans	-47.2	143.8	166	-177.7	-108.8	0	0	0	114.7	P393	Y391-P393 HydrophobicContact CD1-CG 4.5Å; Y391-P393 HydrophobicContact CE1-CG 3.81Å
392	R	37.5	Very low	34.2	Very low	224 Å²	224	162.7 Å²	162.7	85%	0.845	79%	0.789	S	S	*	*			trans	-147.7	118.9	172.7	-109.5	-76.4	-172.9	159.9	1.3	107.7
393	P	37.5	Very low	34.2	Very low	84 Å²	84	162.5 Å²	162.5	55%	0.545	79%	0.789	S	S	.	*			trans	-60.9	143.3	167.5	-21	32.8	0	0	0	110.4	Y391	Y391-P393 HydrophobicContact CD1-CG 4.5Å; Y391-P393 HydrophobicContact CE1-CG 3.81Å
394	R	38.5	Very low	34.7	Very low	204 Å²	204	165.9 Å²	165.9	77%	0.77	80%	0.797	S	S	*	*			trans	-141	111.4	168.3	166.9	159.3	-84.7	162.1	-7.8	108.1	F396	R394-F396 HydrophobicContact CG-CD2 4.39Å; R394-F396 HydrophobicContact CG-CE2 3.98Å; R394-F396 HydrophobicContact CG-CZ 4.48Å
395	D	35.7	Very low	35.1	Very low	153 Å²	153	166.9 Å²	166.9	82%	0.818	80%	0.798	S	S	*	*			trans	-67.2	138.8	178.6	-41.6	-87.1	0	0	0	110.1
396	F	36.9	Very low	35.1	Very low	178 Å²	178	168.8 Å²	168.8	78%	0.781	81%	0.807	S	S	*	*			trans	-118.6	99.1	173.4	-85.7	-83.1	0	0	0	110	R394 V398	R394-F396 HydrophobicContact CG-CD2 4.39Å; R394-F396 HydrophobicContact CG-CE2 3.98Å; R394-F396 HydrophobicContact CG-CZ 4.48Å; F396-V398 PolarHBondContact O-N 3.25Å
397	S	38	Very low	35.1	Very low	103 Å²	103	169 Å²	169	72%	0.72	81%	0.813	S	S	*	*			trans	-72.2	112.3	162.3	52.5	0	0	0	0	109.2
398	V	32.9	Very low	35.6	Very low	133 Å²	133	167 Å²	167	81%	0.806	82%	0.819	S	S	*	*			trans	-78.9	122.4	168.3	-85.1	0	0	0	0	109.8	F396	F396-V398 PolarHBondContact O-N 3.25Å
399	N	32.8	Very low	35.6	Very low	145 Å²	145	161.6 Å²	161.6	78%	0.775	81%	0.812	S	S	*	*			trans	-81.4	132.8	168.9	-59.3	-61.6	0	0	0	108.6
400	L	38.4	Very low	35.9	Very low	176 Å²	176	159.4 Å²	159.4	92%	0.921	81%	0.809	S	S	*	*			trans	-100.3	90.1	166.2	-68.4	176.3	0	0	0	108
401	D	33.2	Very low	36.1	Very low	162 Å²	162	155.9 Å²	155.9	87%	0.866	81%	0.807	S	S	*	*			trans	-94.3	145.4	166	-139.3	-54.1	0	0	0	109.6
402	G	35.1	Very low	36.5	Very low	74 Å²	74	152.3 Å²	152.3	76%	0.763	81%	0.807	S	S	*	*			trans	-91	134.8	-157.4	0	0	0	0	0	114.4
403	Q	31.2	Very low	36.7	Very low	195 Å²	195	153.1 Å²	153.1	91%	0.911	81%	0.81	S	S	*	*			trans	-119.5	132.6	163.1	-160.3	167	13.9	0	0	110.4
404	K	36.6	Very low	36.9	Very low	205 Å²	205	156.9 Å²	156.9	89%	0.891	82%	0.824	S	S	*	*			trans	-72.3	141.5	-174.6	-65.6	-177.2	175.4	-174.1	0	112.2
405	V	35.7	Very low	37.4	Very low	135 Å²	135	156.1 Å²	156.1	82%	0.818	83%	0.827	S	S	*	*			trans	-124.3	145	139.3	148.5	0	0	0	0	107.5
406	E	32.5	Very low	37.7	Very low	192 Å²	192	157.2 Å²	157.2	90%	0.897	83%	0.827	S	S	*	*			trans	-102.1	114.6	-175	179.6	172.1	179.1	0	0	108.8
407	D	30.6	Very low	38.2	Very low	142 Å²	142	159.8 Å²	159.8	76%	0.759	83%	0.831	S	S	*	*			trans	-127.1	121.5	-177	-149.6	-27	0	0	0	110.6	T409	D407-T409 PolarHBondContact O-N 2.75Å
408	S	44.2	Very low	39.2	Very low	118 Å²	118	165.2 Å²	165.2	83%	0.825	84%	0.836	S	S	*	*			trans	-101.2	52.1	-154.5	54.9	0	0	0	0	114.1
409	T	38.2	Very low	40.5	Very low	123 Å²	123	164.1 Å²	164.1	76%	0.755	83%	0.825	S	S	*	*			trans	-108.2	115.7	178.6	-54.6	0	0	0	0	112.5	D407	D407-T409 PolarHBondContact O-N 2.75Å
410	K	42.4	Very low	41.7	Very low	191 Å²	191	161.7 Å²	161.7	83%	0.83	82%	0.815	S	S	*	*			trans	-72.8	125.3	179.3	-61.3	173.1	-175.1	172.6	0	110.7	V412	K410-V412 PolarHBondContact O-N 2.92Å
411	P	40.7	Very low	42.3	Very low	127 Å²	127	159 Å²	159	83%	0.825	80%	0.796	S	S	*	*			trans	-68.9	121.6	173.8	27.3	-33	0	0	0	110.7	R413	P411-R413 PolarHBondContact O-N 3.14Å
412	V	37.7	Very low	43.5	Very low	135 Å²	135	154 Å²	154	82%	0.818	77%	0.77	S	S	*	*			trans	-68.2	114.7	176	175.6	0	0	0	0	109.2	K410 L414	K410-V412 PolarHBondContact O-N 2.92Å; V412-L414 PolarHBondContact O-N 2.97Å
413	R	41.7	Very low	44.5	Very low	241 Å²	241	155.6 Å²	155.6	91%	0.909	77%	0.766	S	S	*	*			trans	-75	84.7	-173.6	-163.4	172.5	-172.2	164.1	0.8	110.9	P411 K415	P411-R413 PolarHBondContact O-N 3.14Å; R413-K415 PolarHBondContact O-N 2.88Å; R413-K415 VanDerWaalsContact O-N 3.12Å
414	L	41.8	Very low	45.4	Very low	162 Å²	162	152.8 Å²	152.8	85%	0.848	76%	0.762	S	S	*	*			trans	-52.5	115.1	175.9	-91.2	165.2	0	0	0	110.6	V412 E416	V412-L414 PolarHBondContact O-N 2.97Å; L414-E416 PolarHBondContact O-N 3.4Å
415	K	48.9	Very low	47	Very low	188 Å²	188	146.9 Å²	146.9	82%	0.817	74%	0.743	S	S	*	*			trans	-81	109.1	-177.6	-173	166.7	-177.6	172.9	0	109.8	R413 R417	R413-K415 PolarHBondContact O-N 2.88Å; R413-K415 VanDerWaalsContact O-N 3.12Å; K415-R417 PolarHBondContact O-N 3.5Å
416	E	41.8	Very low	48.4	Very low	176 Å²	176	142.8 Å²	142.8	82%	0.822	73%	0.728	S	S	*	*			trans	-52.6	124.4	177.8	-66	178	-170.3	0	0	111.6	L414	L414-E416 PolarHBondContact O-N 3.4Å
417	R	48	Very low	49.9	Very low	232 Å²	232	139.4 Å²	139.4	88%	0.875	71%	0.713	S	S	*	*			trans	-108.4	93.9	174.7	-60	-177.7	-169.4	171.6	2.3	108.3	K415 I419	K415-R417 PolarHBondContact O-N 3.5Å; R417-I419 PolarHBondContact O-N 3.47Å
418	R	58.9	Low	51.8	Low	218 Å²	218	137.4 Å²	137.4	82%	0.823	70%	0.701	S	S	*	*			trans	-69.4	111.6	176	-69	-178.9	64.6	176.7	-0.6	109.5
419	I	59.5	Low	52.6	Low	110 Å²	110	138 Å²	138	56%	0.564	69%	0.689	S	S	*	*			trans	-80	141.1	166.8	50.6	169	0	0	0	109.6	R417 I428	R417-I419 PolarHBondContact O-N 3.47Å; I419-I428 HydrophobicContact CB-CG2 3.78Å; I419-I428 HydrophobicContact CD1-CG2 3.82Å; I419-I428 HydrophobicContact CG1-CG2 4.3Å; I419-I428 HydrophobicContact CG2-CG2 4.19Å
420	T	59.8	Low	53.3	Low	94 Å²	94	136.8 Å²	136.8	58%	0.577	68%	0.683	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.1	128.7	176.3	-49.8	0	0	0	0	109.1	K429	T420-K429 PolarHBondContact O-N 3.37Å
421	F	49.7	Very low	53.6	Low	119 Å²	119	134.3 Å²	134.3	52%	0.522	68%	0.678	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.2	130.5	173.4	174.7	-106	0	0	0	109.4	P423 I428	F421-P423 HydrophobicContact CD1-CB 4.48Å; F421-P423 HydrophobicContact CE1-CB 4.06Å; F421-I428 HydrophobicContact CB-CG1 4.48Å; F421-I428 HydrophobicContact CD2-CG1 3.86Å
422	D	58.3	Low	53.7	Low	58 Å²	58	134.4 Å²	134.4	31%	0.31	68%	0.676	S	S	.	*			trans	-95.4	111.8	172.5	172.6	0.9	0	0	0	109.3	V424 T425 G426 Q427	D422-V424 PolarHBondContact O-N 3.07Å; D422-V424 PolarHBondContact OD1-N 2.67Å; D422-T425 WeakPolarHBondContact CB-OG1 3.15Å; D422-T425 PolarHBondContact O-N 2.84Å; D422-T425 PolarHBondContact OD1-N 3.45Å; D422-T425 WeakPolarHBondContact OD2-CB 3.33Å; D422-T425 VanDerWaalsContact OD2-CG2 3.26Å; D422-T425 WeakPolarHBondContact OD2-CG2 3.29Å; D422-T425 PolarHBondContact OD2-OG1 3.47Å; D422-G426 WeakPolarHBondContact O-CA 3.35Å; D422-G426 PolarHBondContact O-N 3.03Å; D422-Q427 PolarHBondContact N-O 3.3Å
423	P	56.1	Low	53.5	Low	107 Å²	107	135.4 Å²	135.4	70%	0.695	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-10.3	-175.8	31.5	-36.3	0	0	0	114	F421	F421-P423 HydrophobicContact CD1-CB 4.48Å; F421-P423 HydrophobicContact CE1-CB 4.06Å
424	V	51.2	Low	53.5	Low	135 Å²	135	133.3 Å²	133.3	82%	0.818	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-32.7	178	-176.1	0	0	0	0	111.4	D422	D422-V424 PolarHBondContact O-N 3.07Å; D422-V424 PolarHBondContact OD1-N 2.67Å
425	T	68.7	Low	53	Low	81 Å²	81	133.4 Å²	133.4	50%	0.497	67%	0.665	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.8	-8.8	178.5	66.6	0	0	0	0	114.5	D422 Q427	D422-T425 WeakPolarHBondContact CB-OG1 3.15Å; D422-T425 PolarHBondContact O-N 2.84Å; D422-T425 PolarHBondContact OD1-N 3.45Å; D422-T425 WeakPolarHBondContact OD2-CB 3.33Å; D422-T425 VanDerWaalsContact OD2-CG2 3.26Å; D422-T425 WeakPolarHBondContact OD2-CG2 3.29Å; D422-T425 PolarHBondContact OD2-OG1 3.47Å; T425-Q427 PolarHBondContact O-N 3.4Å
426	G	66.2	Low	52.4	Low	49 Å²	49	128.8 Å²	128.8	51%	0.505	65%	0.654	S	S	.	*			trans	69.6	7.2	175.8	0	0	0	0	0	115	D422	D422-G426 WeakPolarHBondContact O-CA 3.35Å; D422-G426 PolarHBondContact O-N 3.03Å
427	Q	63.8	Low	51.7	Low	122 Å²	122	125.1 Å²	125.1	57%	0.57	65%	0.648	S	S	*	*			trans	-104.5	145.2	-177.8	-67.1	-160	0	0	0	113.2	D422 T425	D422-Q427 PolarHBondContact N-O 3.3Å; T425-Q427 PolarHBondContact O-N 3.4Å
428	I	69.4	Low	50.8	Low	100 Å²	100	122.9 Å²	122.9	51%	0.513	65%	0.648	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.4	114	172.1	-59.9	174.4	0	0	0	107.6	I419 F421	I419-I428 HydrophobicContact CB-CG2 3.78Å; I419-I428 HydrophobicContact CD1-CG2 3.82Å; I419-I428 HydrophobicContact CG1-CG2 4.3Å; I419-I428 HydrophobicContact CG2-CG2 4.19Å; F421-I428 HydrophobicContact CB-CG1 4.48Å; F421-I428 HydrophobicContact CD2-CG1 3.86Å
429	K	61.8	Low	49.2	Very low	130 Å²	130	117.4 Å²	117.4	57%	0.565	64%	0.643	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.9	115.9	177.9	-72.3	177	-179.3	167.4	0	110.2	T420 L431	T420-K429 PolarHBondContact O-N 3.37Å; K429-L431 PolarHBondContact O-N 3.02Å
430	P	52.7	Low	47.7	Very low	98 Å²	98	121 Å²	121	64%	0.636	66%	0.657	S	S	*	*			trans	-71.4	110.1	173.9	28.3	-32.3	0	0	0	109.8	V432	P430-V432 PolarHBondContact O-N 3.07Å
431	L	48.7	Very low	46.2	Very low	139 Å²	139	123.8 Å²	123.8	73%	0.728	67%	0.668	S	S	*	*			trans	-75	96.7	-176.7	-175.7	63.8	0	0	0	111.1	K429 H433	K429-L431 PolarHBondContact O-N 3.02Å; L431-H433 PolarHBondContact O-N 3.12Å; L431-H433 VanDerWaalsContact O-N 3.15Å
432	V	42.4	Very low	45.3	Very low	129 Å²	129	123.5 Å²	123.5	78%	0.782	68%	0.676	S	S	*	*			trans	-75.9	97.8	169.5	-174.8	0	0	0	0	108.6	P430 K434	P430-V432 PolarHBondContact O-N 3.07Å; V432-K434 PolarHBondContact O-N 2.9Å
433	H	35.1	Very low	44.7	Very low	156 Å²	156	126 Å²	126	72%	0.722	70%	0.696	S	S	*	*			trans	-69.7	126	175.1	-178.3	73.9	0	0	0	110.6	L431	L431-H433 PolarHBondContact O-N 3.12Å; L431-H433 VanDerWaalsContact O-N 3.15Å
434	K	41.7	Very low	43.5	Very low	197 Å²	197	127 Å²	127	86%	0.857	70%	0.7	S	S	*	*			trans	-131.4	113.1	-179.9	176.9	-171.6	177.1	-175.6	0	108.8	V432	V432-K434 PolarHBondContact O-N 2.9Å
435	E	29.5	Very low	43.3	Very low	163 Å²	163	126.4 Å²	126.4	76%	0.762	70%	0.699	S	S	*	*			trans	-151.4	160.9	170.3	-96.1	-117.5	84.6	0	0	110.6
436	P	37.9	Very low	41.1	Very low	92 Å²	92	129.4 Å²	129.4	60%	0.597	71%	0.712	S	S	*	*			trans	-130	175.9	-158.4	40.3	-23.5	0	0	0	116.5
437	S	27.3	Very low	40	Very low	99 Å²	99	132.2 Å²	132.2	69%	0.692	72%	0.721	S	S	*	*			trans	64.9	164.2	159.3	34.6	0	0	0	0	117.2
438	Q	28.1	Very low	38.2	Very low	185 Å²	185	130.4 Å²	130.4	86%	0.864	73%	0.727	S	S	*	*			cis	-156.5	154.2	-2.9	-128.2	169.7	92.6	0	0	109.5
439	S	25.8	Very low	36.2	Very low	103 Å²	103	135 Å²	135	72%	0.72	75%	0.747	S	S	*	*			trans	-165.2	127.6	154.9	57	0	0	0	0	113.1
440	E	28	Very low	34.7	Very low	184 Å²	184	134.2 Å²	134.2	86%	0.86	76%	0.758	S	S	*	*			trans	64.8	101.7	155.1	-74.2	166.8	89.4	0	0	122.1
441	D	27.8	Very low	33.6	Very low	153 Å²	153	140.1 Å²	140.1	82%	0.818	77%	0.767	S	S	*	*				91.8	157.1	119.6	-124.4	-92.4	0	0	0	123.3
442	V	31.5	Very low	32.6	Very low	113 Å²	113	142.2 Å²	142.2	69%	0.685	77%	0.773	S	S	*	*			trans	-157.9	129.7	-145.3	162.2	0	0	0	0	109.9
443	P	45.8	Very low	31.9	Very low	112 Å²	112	147.3 Å²	147.3	73%	0.727	78%	0.778	S	S	*	*				-152.6	132.6	100.3	34.2	-13.8	0	0	0	118
444	T	30.6	Very low	31.6	Very low	128 Å²	128	143.5 Å²	143.5	79%	0.785	77%	0.774	S	S	*	*			trans	33.4	156.8	134.9	36.5	0	0	0	0	123.3
445	P	45.7	Very low	30.9	Very low	121 Å²	121	143.2 Å²	143.2	79%	0.786	78%	0.776	S	S	*	*			cis	-130	171.4	18.1	41.3	-24.7	0	0	0	118.5
446	D	24	Very low	30.6	Very low	144 Å²	144	140.1 Å²	140.1	77%	0.77	77%	0.772	S	S	*	*			trans	-62.6	177.1	162.6	-129.4	4.9	0	0	0	111.6
447	P	41.8	Very low	30.1	Very low	108 Å²	108	142.9 Å²	142.9	70%	0.701	78%	0.78	S	S	*	*			cis	-141.4	158.5	24.9	41.5	-22	0	0	0	120
448	A	26.8	Very low	30.2	Very low	85 Å²	85	144.2 Å²	144.2	70%	0.702	78%	0.784	S	S	*	*			trans	66.5	155.9	146.6	0	0	0	0	0	117.6
449	E	28.1	Very low	30.3	Very low	196 Å²	196	141 Å²	141	92%	0.916	78%	0.779	S	S	*	*			cis	-137.5	-177.2	29.8	-95.1	-160.9	126.7	0	0	115.7
450	S	29.5	Very low	30.3	Very low	114 Å²	114	144.6 Å²	144.6	80%	0.797	79%	0.785	S	S	*	*			trans	-102.8	132.3	-166	-79.3	0	0	0	0	115
451	R	28.6	Very low	31	Very low	221 Å²	221	140.7 Å²	140.7	83%	0.834	78%	0.775	S	S	*	*				45.8	99.9	124.8	-175.1	-152.5	-161.3	-169.9	8.6	117.4
452	Q	28.2	Very low	30.8	Very low	184 Å²	184	140.5 Å²	140.5	86%	0.86	78%	0.78	S	S	*	*				-164.1	133.4	126.1	-110	165.2	37.6	0	0	118.3
453	R	28.1	Very low	30.7	Very low	235 Å²	235	139.1 Å²	139.1	89%	0.887	78%	0.78	S	S	*	*			trans	-21.9	119.5	154.7	173.3	-177.3	-73.5	165.3	-6.1	118.6
454	A	28.7	Very low	29.7	Very low	77 Å²	77	141 Å²	141	64%	0.636	79%	0.79	S	S	*	*			trans	48.7	137	134.5	0	0	0	0	0	123
455	Q	26.9	Very low	29.6	Very low	191 Å²	191	140.7 Å²	140.7	89%	0.893	79%	0.788	S	S	*	*				-176.1	159.2	117.2	-102.8	164.6	102.4	0	0	115.9
456	S	24.4	Very low	28.7	Very low	98 Å²	98	140.7 Å²	140.7	69%	0.685	79%	0.791	S	S	*	*			trans	58.5	98.1	150.6	-118.3	0	0	0	0	124.1
457	I	27.4	Very low	29.1	Very low	149 Å²	149	138.1 Å²	138.1	76%	0.764	79%	0.789	S	S	*	*				61.7	137.9	107.9	-67	169.3	0	0	0	121.9
458	V	28.5	Very low	28.9	Very low	128 Å²	128	139.1 Å²	139.1	78%	0.776	80%	0.796	S	S	*	*			trans	76.5	144.3	164	149.6	0	0	0	0	116.4
459	P	30.3	Very low	28.9	Very low	117 Å²	117	138.1 Å²	138.1	76%	0.76	79%	0.794	S	S	*	*			cis	-117.5	165	15.7	11.2	13.6	0	0	0	118.4
460	Q	26.3	Very low	29.3	Very low	179 Å²	179	135 Å²	135	84%	0.836	79%	0.791	S	S	*	*			trans	-106.6	178.2	150.1	-86.8	-166.1	30.6	0	0	108.2
461	P	42.7	Very low	29.5	Very low	102 Å²	102	135 Å²	135	66%	0.662	79%	0.79	S	S	*	*			cis	-135.7	178.2	-49.7	39.6	-24.4	0	0	0	111.5
462	T	23.8	Very low	29.8	Very low	148 Å²	148	130.4 Å²	130.4	91%	0.908	79%	0.79	S	S	*	*			trans	-136.1	129.1	147.4	46.1	0	0	0	0	109.8
463	A	27.6	Very low	30.3	Very low	84 Å²	84	125.6 Å²	125.6	69%	0.694	78%	0.781	S	S	*	*			trans	-112.7	159.4	175	0	0	0	0	0	109.8
464	T	26.1	Very low	31.1	Very low	152 Å²	152	121.1 Å²	121.1	93%	0.933	78%	0.782	S	S	*	*			trans	-128.6	136	153.4	-55	0	0	0	0	107.5
465	T	28.1	Very low	31.3	Very low	121 Å²	121	120.7 Å²	120.7	74%	0.742	79%	0.786	S	S	*	*			trans	-109.6	137.5	-155.9	-59.2	0	0	0	0	113.1
466	S	27.1	Very low	32.1	Very low	121 Å²	121	116.6 Å²	116.6	85%	0.846	78%	0.784	S	S	*	*			trans	-134.9	145.7	145.6	56.6	0	0	0	0	109.3
467	A	32.3	Very low	32.7	Very low	90 Å²	90	114.8 Å²	114.8	74%	0.744	78%	0.781	S	S	*	*			trans	-91.5	168.9	-158.8	0	0	0	0	0	113.6
468	P	38.3	Very low	33.5	Very low	130 Å²	130	112.1 Å²	112.1	84%	0.844	77%	0.774	S	S	*	*			trans	-88.7	152.8	-161.4	34.7	-35.7	0	0	0	115.4
469	G	27.1	Very low	34.5	Very low	64 Å²	64	110.7 Å²	110.7	66%	0.66	76%	0.762	S	S	*	*			trans	-106.3	162.4	158.5	0	0	0	0	0	111.4
470	P	34.9	Very low	35.5	Very low	130 Å²	130	109.4 Å²	109.4	84%	0.844	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-73.9	137.6	-166.5	29	-35.4	0	0	0	113.7
471	S	33.5	Very low	36.7	Very low	113 Å²	113	107.1 Å²	107.1	79%	0.79	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-68.5	130.4	166.4	-51.3	0	0	0	0	110.4
472	P	35.6	Very low	37.5	Very low	126 Å²	126	108.5 Å²	108.5	82%	0.818	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-65.3	143.1	165.1	28.4	-32.9	0	0	0	110
473	A	38	Very low	39.4	Very low	83 Å²	83	108.2 Å²	108.2	69%	0.686	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-60.1	159.8	171.2	0	0	0	0	0	111	G475	A473-G475 VanDerWaalsContact C-N 3.29Å; A473-G475 PolarHBondContact O-N 3.06Å
474	P	46	Very low	41.7	Very low	140 Å²	140	106.7 Å²	106.7	91%	0.909	71%	0.709	S	S	*	*			trans	-68.9	81.9	-175.2	28.4	-36.2	0	0	0	112.5
475	G	32	Very low	44	Very low	69 Å²	69	103.6 Å²	103.6	71%	0.711	69%	0.686	S	S	*	*			trans	-65	141.4	172.3	0	0	0	0	0	111.3	A473 G477	A473-G475 VanDerWaalsContact C-N 3.29Å; A473-G475 PolarHBondContact O-N 3.06Å; G475-G477 PolarHBondContact O-N 3.47Å
476	A	43.7	Very low	46.2	Very low	104 Å²	104	101.5 Å²	101.5	86%	0.86	67%	0.665	S	S	*	*			trans	-42.1	119.7	-172.2	0	0	0	0	0	114.1
477	G	38.7	Very low	48.5	Very low	60 Å²	60	100.3 Å²	100.3	62%	0.619	64%	0.644	S	S	*	*			trans	-57.1	146.9	162.7	0	0	0	0	0	110.1	G475 N479	G475-G477 PolarHBondContact O-N 3.47Å; G477-N479 PolarHBondContact O-N 3.42Å
478	P	42.8	Very low	50.6	Low	93 Å²	93	101.8 Å²	101.8	60%	0.604	64%	0.636	S	S	*	*			trans	-57.8	112.1	-168.4	21.9	-33.4	0	0	0	110.9	Q483	P478-Q483 PolarHBondContact O-NE2 2.89Å; P478-Q483 VanDerWaalsContact O-NE2 3.13Å
479	N	49.8	Very low	52.3	Low	98 Å²	98	98.8 Å²	98.8	52%	0.524	61%	0.613	S	S	.	*			trans	-46.3	126.4	-173.6	-149.5	-0.1	0	0	0	109.2	G477 F481 H482	G477-N479 PolarHBondContact O-N 3.42Å; N479-F481 PolarHBondContact O-N 3.3Å; N479-H482 PolarHBondContact O-N 3.43Å
480	P	52.2	Low	54.5	Low	90 Å²	90	96.9 Å²	96.9	58%	0.584	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.6	-24.8	-166.2	-30.4	36.2	0	0	0	115	T484	P480-T484 PolarHBondContact O-OG1 3.01Å
481	F	51.1	Low	56.5	Low	131 Å²	131	98.9 Å²	98.9	58%	0.575	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-41	171.7	-79.1	-98.9	0	0	0	113.2	N479 Q483 T484 W486	N479-F481 PolarHBondContact O-N 3.3Å; F481-Q483 VanDerWaalsContact C-N 3.29Å; F481-Q483 PolarHBondContact O-N 3.33Å; F481-T484 PolarHBondContact O-N 3.12Å; F481-T484 VanDerWaalsContact O-N 3.1Å; F481-W486 AromaticContact CD1-CE2 3.67Å; F481-W486 HydrophobicContact CD1-CH2 4.29Å; F481-W486 AromaticContact CD1-CZ2 3.37Å; F481-W486 HydrophobicContact CD1-CZ2 3.37Å; F481-W486 AromaticContact CD1-NE1 3.72Å; F481-W486 HydrophobicContact CE1-CH2 4.12Å; F481-W486 AromaticContact CE1-CZ2 3.63Å; F481-W486 HydrophobicContact CE1-CZ2 3.63Å; F481-W486 HydrophobicContact CG-CZ2 4.18Å; F481-W486 PolarHBondContact O-NE1 3.08Å
482	H	58.4	Low	59.1	Low	131 Å²	131	96.7 Å²	96.7	61%	0.606	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-17.1	-178.6	-56.9	-53.6	0	0	0	113.9	N479 T484	N479-H482 PolarHBondContact O-N 3.43Å; H482-T484 PolarHBondContact O-N 2.66Å
483	Q	64.8	Low	61.4	Low	143 Å²	143	98.2 Å²	98.2	67%	0.668	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-14.5	170.2	-67.9	179.2	52.9	0	0	112.7	P478 F481	P478-Q483 PolarHBondContact O-NE2 2.89Å; P478-Q483 VanDerWaalsContact O-NE2 3.13Å; F481-Q483 VanDerWaalsContact C-N 3.29Å; F481-Q483 PolarHBondContact O-N 3.33Å
484	T	75.2	Confident	63.7	Low	51 Å²	51	100.5 Å²	100.5	31%	0.313	56%	0.555	S	S	.	*	S	Bend	trans	-100.3	124.8	-176.5	-59	0	0	0	0	109.7	P480 F481 H482 W486 L489	P480-T484 PolarHBondContact O-OG1 3.01Å; F481-T484 PolarHBondContact O-N 3.12Å; F481-T484 VanDerWaalsContact O-N 3.1Å; H482-T484 PolarHBondContact O-N 2.66Å; T484-W486 HydrophobicContact CG2-CD2 3.84Å; T484-W486 HydrophobicContact CG2-CE3 4.18Å; T484-W486 HydrophobicContact CG2-CG 4.36Å; T484-W486 HydrophobicContact CG2-CH2 4.1Å; T484-W486 HydrophobicContact CG2-CZ2 3.74Å; T484-W486 HydrophobicContact CG2-CZ3 4.3Å; T484-W486 PolarHBondContact O-N 3.24Å; T484-L489 HydrophobicContact CG2-CD1 3.47Å; T484-L489 VanDerWaalsContact CG2-CD1 3.47Å
485	N	74.8	Confident	65.5	Low	87 Å²	87	96.4 Å²	96.4	47%	0.465	52%	0.524	S	S	.	.			trans	-75.7	72.9	177.4	-168.3	-4	0	0	0	111.5	K487 E488 L489	N485-K487 PolarHBondContact O-N 3.15Å; N485-K487 VanDerWaalsContact O-N 3.14Å; N485-E488 HydrophobicContact CB-CB 4.03Å; N485-E488 VanDerWaalsContact CG-CB 3.4Å; N485-E488 VanDerWaalsContact ND2-CB 3.27Å; N485-E488 WeakPolarHBondContact ND2-CB 3.24Å; N485-E488 PolarHBondContact ND2-OE2 3.06Å; N485-E488 PolarHBondContact O-N 2.66Å; N485-E488 PolarHBondContact OD1-N 3.27Å; N485-L489 PolarHBondContact O-N 3.21Å
486	W	74.9	Confident	67.8	Low	78 Å²	78	96.6 Å²	96.6	30%	0.295	51%	0.507	S	S	.	.	H	α-helix	trans	-57.3	-28.1	179.6	-61	105.7	0	0	0	113.1	F481 T484 E488 S490 M520 L524	F481-W486 AromaticContact CD1-CE2 3.67Å; F481-W486 HydrophobicContact CD1-CH2 4.29Å; F481-W486 AromaticContact CD1-CZ2 3.37Å; F481-W486 HydrophobicContact CD1-CZ2 3.37Å; F481-W486 AromaticContact CD1-NE1 3.72Å; F481-W486 HydrophobicContact CE1-CH2 4.12Å; F481-W486 AromaticContact CE1-CZ2 3.63Å; F481-W486 HydrophobicContact CE1-CZ2 3.63Å; F481-W486 HydrophobicContact CG-CZ2 4.18Å; F481-W486 PolarHBondContact O-NE1 3.08Å; T484-W486 HydrophobicContact CG2-CD2 3.84Å; T484-W486 HydrophobicContact CG2-CE3 4.18Å; T484-W486 HydrophobicContact CG2-CG 4.36Å; T484-W486 HydrophobicContact CG2-CH2 4.1Å; T484-W486 HydrophobicContact CG2-CZ2 3.74Å; T484-W486 HydrophobicContact CG2-CZ3 4.3Å; T484-W486 PolarHBondContact O-N 3.24Å; W486-E488 VanDerWaalsContact C-N 3.31Å; W486-E488 PolarHBondContact O-N 3.18Å; W486-S490 WeakPolarHBondContact O-CB 3.3Å; W486-S490 PolarHBondContact O-N 2.68Å; W486-S490 PolarHBondContact O-OG 2.82Å; W486-M520 HydrophobicContact CE3-SD 4.37Å; W486-L524 HydrophobicContact CB-CD1 4.45Å; W486-L524 HydrophobicContact CB-CD2 3.89Å
487	K	74.8	Confident	69.6	Low	95 Å²	95	95 Å²	95	41%	0.413	49%	0.49	S	S	.	.	H	α-helix	trans	-71.8	-24	176.5	-170.3	169.7	176.8	176.3	0	113.1	N485 S490 R491 L524 E528	N485-K487 PolarHBondContact O-N 3.15Å; N485-K487 VanDerWaalsContact O-N 3.14Å; K487-S490 PolarHBondContact O-OG 2.79Å; K487-R491 WeakPolarHBondContact O-CD 2.85Å; K487-R491 VanDerWaalsContact O-CG 3.25Å; K487-R491 WeakPolarHBondContact O-CG 3.43Å; K487-L524 HydrophobicContact CB-CD2 4.37Å; K487-E528 WeakPolarHBondContact CE-OE1 3.45Å; K487-E528 IonicContact NZ-OE1 3.38Å; K487-E528 PolarHBondContact NZ-OE1 3.19Å
488	E	76.7	Confident	71.7	Confident	122 Å²	122	98.6 Å²	98.6	57%	0.57	49%	0.486	S	S	*	.	H	α-helix	trans	-89.8	-44	171.7	179.5	174.3	-161.6	0	0	111.4	N485 W486 S490 R491 N492	N485-E488 HydrophobicContact CB-CB 4.03Å; N485-E488 VanDerWaalsContact CG-CB 3.4Å; N485-E488 VanDerWaalsContact ND2-CB 3.27Å; N485-E488 WeakPolarHBondContact ND2-CB 3.24Å; N485-E488 PolarHBondContact ND2-OE2 3.06Å; N485-E488 PolarHBondContact O-N 2.66Å; N485-E488 PolarHBondContact OD1-N 3.27Å; W486-E488 VanDerWaalsContact C-N 3.31Å; W486-E488 PolarHBondContact O-N 3.18Å; E488-S490 VanDerWaalsContact C-N 3.34Å; E488-S490 PolarHBondContact O-N 3.44Å; E488-R491 WeakPolarHBondContact O-CA 3.45Å; E488-R491 WeakPolarHBondContact O-CB 3.45Å; E488-R491 PolarHBondContact O-N 3.19Å; E488-N492 PolarHBondContact O-N 3.46Å
489	L	74.1	Confident	73.6	Confident	67 Å²	67	95.8 Å²	95.8	35%	0.351	47%	0.465	S	S	.	.	H	α-helix	trans	-63.3	-37.2	177.1	-64.1	-174.5	0	0	0	112.7	T484 N485 R491 N492 I495	T484-L489 HydrophobicContact CG2-CD1 3.47Å; T484-L489 VanDerWaalsContact CG2-CD1 3.47Å; N485-L489 PolarHBondContact O-N 3.21Å; L489-R491 PolarHBondContact O-N 2.76Å; L489-N492 WeakPolarHBondContact O-CB 3.35Å; L489-N492 PolarHBondContact O-N 2.65Å; L489-I495 HydrophobicContact CB-CD1 3.85Å; L489-I495 HydrophobicContact CD2-CD1 3.89Å; L489-I495 HydrophobicContact CG-CD1 4.35Å
490	S	72.1	Confident	74.9	Confident	23 Å²	23	95.1 Å²	95.1	16%	0.161	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-17.9	173.4	57.3	0	0	0	0	113.8	W486 K487 E488 Q496 L524	W486-S490 WeakPolarHBondContact O-CB 3.3Å; W486-S490 PolarHBondContact O-N 2.68Å; W486-S490 PolarHBondContact O-OG 2.82Å; K487-S490 PolarHBondContact O-OG 2.79Å; E488-S490 VanDerWaalsContact C-N 3.34Å; E488-S490 PolarHBondContact O-N 3.44Å; S490-Q496 WeakPolarHBondContact O-CG 3.38Å; S490-Q496 PolarHBondContact O-NE2 2.88Å; S490-L524 WeakPolarHBondContact OG-CD1 3.38Å
491	R	77.8	Confident	76.2	Confident	172 Å²	172	95.8 Å²	95.8	65%	0.649	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-8.1	173.5	-69.2	175	178.3	-160.2	-6.2	113.2	K487 E488 L489 E493	K487-R491 WeakPolarHBondContact O-CD 2.85Å; K487-R491 VanDerWaalsContact O-CG 3.25Å; K487-R491 WeakPolarHBondContact O-CG 3.43Å; E488-R491 WeakPolarHBondContact O-CA 3.45Å; E488-R491 WeakPolarHBondContact O-CB 3.45Å; E488-R491 PolarHBondContact O-N 3.19Å; L489-R491 PolarHBondContact O-N 2.76Å; R491-E493 PolarHBondContact O-N 2.61Å
492	N	88.3	Confident	77.1	Confident	67 Å²	67	93.2 Å²	93.2	36%	0.358	45%	0.45	S	S	.	.			trans	-76	121	-178.1	-175	-69.9	0	0	0	110.9	E488 L489 I494 I495 Q496	E488-N492 PolarHBondContact O-N 3.46Å; L489-N492 WeakPolarHBondContact O-CB 3.35Å; L489-N492 PolarHBondContact O-N 2.65Å; N492-I494 PolarHBondContact O-N 3.18Å; N492-I494 VanDerWaalsContact OD1-CB 3.28Å; N492-I494 WeakPolarHBondContact OD1-CB 3.41Å; N492-I494 PolarHBondContact OD1-N 3.21Å; N492-I495 HydrophobicContact CB-CB 4.22Å; N492-I495 HydrophobicContact CB-CD1 4.08Å; N492-I495 HydrophobicContact CB-CG1 4.13Å; N492-I495 PolarHBondContact O-N 2.81Å; N492-I495 PolarHBondContact OD1-N 2.82Å; N492-Q496 PolarHBondContact O-N 3.29Å
493	E	83.7	Confident	77.4	Confident	159 Å²	159	87.6 Å²	87.6	74%	0.743	43%	0.425	S	S	*	.	H	α-helix	trans	-59.4	-30.3	-176.5	-61.6	-174.6	162.3	0	0	113.7	R491 S497	R491-E493 PolarHBondContact O-N 2.61Å; E493-S497 WeakPolarHBondContact O-CB 3.33Å; E493-S497 PolarHBondContact O-N 3.33Å; E493-S497 PolarHBondContact O-OG 3.33Å
494	I	85.9	Confident	77.4	Confident	130 Å²	130	85.1 Å²	85.1	67%	0.667	42%	0.416	S	S	*	.	H	α-helix	trans	-70.9	-40.8	177.7	-51.2	175.2	0	0	0	109.7	N492 S497 Y498	N492-I494 PolarHBondContact O-N 3.18Å; N492-I494 VanDerWaalsContact OD1-CB 3.28Å; N492-I494 WeakPolarHBondContact OD1-CB 3.41Å; N492-I494 PolarHBondContact OD1-N 3.21Å; I494-S497 WeakPolarHBondContact CA-OG 3.32Å; I494-S497 PolarHBondContact O-OG 3.01Å; I494-Y498 VanDerWaalsContact O-CB 3.27Å; I494-Y498 WeakPolarHBondContact O-CB 3.19Å; I494-Y498 PolarHBondContact O-N 2.96Å
495	I	83.9	Confident	77.1	Confident	54 Å²	54	86.9 Å²	86.9	28%	0.277	43%	0.427	S	S	.	.	H	α-helix	trans	-70.3	-44.3	177.1	-62.7	179.8	0	0	0	110.2	L489 N492 Y498 L499	L489-I495 HydrophobicContact CB-CD1 3.85Å; L489-I495 HydrophobicContact CD2-CD1 3.89Å; L489-I495 HydrophobicContact CG-CD1 4.35Å; N492-I495 HydrophobicContact CB-CB 4.22Å; N492-I495 HydrophobicContact CB-CD1 4.08Å; N492-I495 HydrophobicContact CB-CG1 4.13Å; N492-I495 PolarHBondContact O-N 2.81Å; N492-I495 PolarHBondContact OD1-N 2.82Å; I495-Y498 PolarHBondContact O-N 3.19Å; I495-L499 HydrophobicContact CG2-CD1 3.85Å; I495-L499 HydrophobicContact CG2-CG 4.45Å; I495-L499 WeakPolarHBondContact O-CB 3.41Å; I495-L499 VanDerWaalsContact O-CG 3.26Å; I495-L499 WeakPolarHBondContact O-CG 3.43Å; I495-L499 PolarHBondContact O-N 3.4Å
496	Q	81.3	Confident	76.3	Confident	74 Å²	74	88.6 Å²	88.6	35%	0.346	44%	0.435	S	S	.	.	H	α-helix	trans	-61.1	-47.9	174.9	-69.3	-170.7	3	0	0	112.1	S490 N492 L499 N500	S490-Q496 WeakPolarHBondContact O-CG 3.38Å; S490-Q496 PolarHBondContact O-NE2 2.88Å; N492-Q496 PolarHBondContact O-N 3.29Å; Q496-L499 PolarHBondContact O-N 2.96Å; Q496-N500 WeakPolarHBondContact O-CB 3.32Å; Q496-N500 PolarHBondContact O-N 2.79Å
497	S	80.1	Confident	75.4	Confident	71 Å²	71	88.1 Å²	88.1	50%	0.497	44%	0.441	S	S	.	.	H	α-helix	trans	-67	-37.2	-179.4	57.2	0	0	0	0	112.6	E493 I494 L501	E493-S497 WeakPolarHBondContact O-CB 3.33Å; E493-S497 PolarHBondContact O-N 3.33Å; E493-S497 PolarHBondContact O-OG 3.33Å; I494-S497 WeakPolarHBondContact CA-OG 3.32Å; I494-S497 PolarHBondContact O-OG 3.01Å; S497-L501 VanDerWaalsContact O-CB 3.23Å; S497-L501 WeakPolarHBondContact O-CB 3.5Å; S497-L501 PolarHBondContact O-N 3.05Å
498	Y	84.1	Confident	74.6	Confident	135 Å²	135	88.4 Å²	88.4	53%	0.529	46%	0.455	S	S	.	.	H	α-helix	trans	-63	-50.5	171.9	178.2	-99.6	0	0	0	112	I494 I495 N500 L501 Q502	I494-Y498 VanDerWaalsContact O-CB 3.27Å; I494-Y498 WeakPolarHBondContact O-CB 3.19Å; I494-Y498 PolarHBondContact O-N 2.96Å; I495-Y498 PolarHBondContact O-N 3.19Å; Y498-N500 VanDerWaalsContact C-N 3.33Å; Y498-N500 PolarHBondContact O-N 3.5Å; Y498-L501 PolarHBondContact O-N 2.83Å; Y498-Q502 HydrophobicContact CD1-CG 4.26Å; Y498-Q502 HydrophobicContact CE1-CG 3.83Å; Y498-Q502 HydrophobicContact CE2-CG 4.15Å; Y498-Q502 WeakPolarHBondContact O-CG 3.43Å; Y498-Q502 PolarHBondContact O-N 3.18Å
499	L	80.9	Confident	73.6	Confident	33 Å²	33	87.2 Å²	87.2	17%	0.173	46%	0.46	C	S	.	.	H	α-helix	trans	-63.6	-38.3	179	-70	171.3	0	0	0	112.1	I495 Q496 S503 A516 M520	I495-L499 HydrophobicContact CG2-CD1 3.85Å; I495-L499 HydrophobicContact CG2-CG 4.45Å; I495-L499 WeakPolarHBondContact O-CB 3.41Å; I495-L499 VanDerWaalsContact O-CG 3.26Å; I495-L499 WeakPolarHBondContact O-CG 3.43Å; I495-L499 PolarHBondContact O-N 3.4Å; Q496-L499 PolarHBondContact O-N 2.96Å; L499-S503 WeakPolarHBondContact O-CB 3.47Å; L499-S503 PolarHBondContact O-N 2.84Å; L499-S503 PolarHBondContact O-OG 2.91Å; L499-A516 HydrophobicContact CD2-CB 4.46Å; L499-M520 HydrophobicContact CD1-CE 3.49Å; L499-M520 VanDerWaalsContact CD1-CE 3.49Å
500	N	78.1	Confident	72.8	Confident	85 Å²	85	87.4 Å²	87.4	46%	0.455	48%	0.478	S	S	.	.	H	α-helix	trans	-62.2	-50.6	174	-171	-10.5	0	0	0	110.2	Q496 Y498 Q502 S503 N504	Q496-N500 WeakPolarHBondContact O-CB 3.32Å; Q496-N500 PolarHBondContact O-N 2.79Å; Y498-N500 VanDerWaalsContact C-N 3.33Å; Y498-N500 PolarHBondContact O-N 3.5Å; N500-Q502 PolarHBondContact O-N 3.27Å; N500-S503 WeakPolarHBondContact CA-OG 3.26Å; N500-S503 CarbonylContact O-C 3.53Å; N500-S503 PolarHBondContact O-N 3.43Å; N500-S503 PolarHBondContact O-OG 2.79Å; N500-N504 PolarHBondContact O-N 2.98Å; N500-N504 PolarHBondContact O-ND2 2.89Å; N500-N504 PolarHBondContact OD1-ND2 2.85Å
501	L	78.6	Confident	72.2	Confident	103 Å²	103	91.3 Å²	91.3	54%	0.539	50%	0.501	S	S	.	.	H	α-helix	trans	-56.9	-46.5	176.3	-178.3	62.2	0	0	0	112.4	S497 Y498 S503 N504 V505	S497-L501 VanDerWaalsContact O-CB 3.23Å; S497-L501 WeakPolarHBondContact O-CB 3.5Å; S497-L501 PolarHBondContact O-N 3.05Å; Y498-L501 PolarHBondContact O-N 2.83Å; L501-S503 VanDerWaalsContact C-N 3.34Å; L501-S503 PolarHBondContact O-N 3.29Å; L501-N504 PolarHBondContact O-N 2.69Å; L501-V505 WeakPolarHBondContact O-CG2 3.49Å; L501-V505 PolarHBondContact O-N 3.43Å; L501-V505 VanDerWaalsContact O-N 3.08Å
502	Q	70.9	Confident	71.2	Confident	78 Å²	78	92 Å²	92	36%	0.364	51%	0.511	S	S	.	.	H	α-helix	trans	-59.4	-44.3	173.4	-68.3	-58.4	-48.8	0	0	111.4	Y498 N500 N504 V505 L506	Y498-Q502 HydrophobicContact CD1-CG 4.26Å; Y498-Q502 HydrophobicContact CE1-CG 3.83Å; Y498-Q502 HydrophobicContact CE2-CG 4.15Å; Y498-Q502 WeakPolarHBondContact O-CG 3.43Å; Y498-Q502 PolarHBondContact O-N 3.18Å; N500-Q502 PolarHBondContact O-N 3.27Å; Q502-N504 VanDerWaalsContact C-N 3.34Å; Q502-N504 PolarHBondContact O-N 3Å; Q502-V505 PolarHBondContact O-N 3.14Å; Q502-L506 WeakPolarHBondContact O-CG 3.45Å; Q502-L506 PolarHBondContact O-N 3.21Å
503	S	64.9	Low	69.8	Low	13 Å²	13	91.7 Å²	91.7	9%	0.091	52%	0.519	C	S	.	.	H	α-helix	trans	-67.3	-31.1	178.5	71.9	0	0	0	0	113.4	L499 N500 L501 L506 T507 S515	L499-S503 WeakPolarHBondContact O-CB 3.47Å; L499-S503 PolarHBondContact O-N 2.84Å; L499-S503 PolarHBondContact O-OG 2.91Å; N500-S503 WeakPolarHBondContact CA-OG 3.26Å; N500-S503 CarbonylContact O-C 3.53Å; N500-S503 PolarHBondContact O-N 3.43Å; N500-S503 PolarHBondContact O-OG 2.79Å; L501-S503 VanDerWaalsContact C-N 3.34Å; L501-S503 PolarHBondContact O-N 3.29Å; S503-L506 PolarHBondContact O-N 3.2Å; S503-T507 VanDerWaalsContact O-CB 3.26Å; S503-T507 WeakPolarHBondContact O-CB 3.35Å; S503-T507 PolarHBondContact O-N 2.61Å; S503-T507 PolarHBondContact O-OG1 3.17Å; S503-S515 WeakPolarHBondContact CB-OG 3.39Å; S503-S515 PolarHBondContact OG-OG 3.29Å; S503-S515 VanDerWaalsContact OG-OG 3.07Å
504	N	65.1	Low	68.8	Low	91 Å²	91	87.4 Å²	87.4	49%	0.487	50%	0.504	S	S	.	.	H	α-helix	trans	-69.5	-40.2	173.5	-69.6	-48.5	0	0	0	112	N500 L501 Q502 T507 S508	N500-N504 PolarHBondContact O-N 2.98Å; N500-N504 PolarHBondContact O-ND2 2.89Å; N500-N504 PolarHBondContact OD1-ND2 2.85Å; L501-N504 PolarHBondContact O-N 2.69Å; Q502-N504 VanDerWaalsContact C-N 3.34Å; Q502-N504 PolarHBondContact O-N 3Å; N504-T507 PolarHBondContact O-N 3.5Å; N504-S508 PolarHBondContact O-N 2.79Å
505	V	67.2	Low	68.2	Low	88 Å²	88	83 Å²	83	53%	0.533	49%	0.485	S	S	.	.	H	α-helix	trans	-60.7	-46.2	173	172.5	0	0	0	0	110.4	L501 Q502 S508	L501-V505 WeakPolarHBondContact O-CG2 3.49Å; L501-V505 PolarHBondContact O-N 3.43Å; L501-V505 VanDerWaalsContact O-N 3.08Å; Q502-V505 PolarHBondContact O-N 3.14Å; V505-S508 WeakPolarHBondContact O-CB 3.41Å; V505-S508 PolarHBondContact O-N 3.35Å; V505-S508 PolarHBondContact O-OG 3.08Å
506	L	58.6	Low	67.6	Low	123 Å²	123	83 Å²	83	64%	0.644	49%	0.494	S	S	*	.	H	α-helix	trans	-65.7	-43.3	178	-68.1	167.3	0	0	0	112.3	Q502 S503 S508 S509	Q502-L506 WeakPolarHBondContact O-CG 3.45Å; Q502-L506 PolarHBondContact O-N 3.21Å; S503-L506 PolarHBondContact O-N 3.2Å; L506-S508 PolarHBondContact O-N 3.23Å; L506-S509 VanDerWaalsContact O-CB 3.31Å; L506-S509 WeakPolarHBondContact O-CB 3.42Å; L506-S509 PolarHBondContact O-N 2.84Å; L506-S509 VanDerWaalsContact O-N 3.07Å
507	T	57.3	Low	67.2	Low	68 Å²	68	82.5 Å²	82.5	42%	0.417	49%	0.491	S	S	.	.	H	α-helix	trans	-65.2	-27.1	179	-54.7	0	0	0	0	112.3	S503 N504 S509 G510	S503-T507 VanDerWaalsContact O-CB 3.26Å; S503-T507 WeakPolarHBondContact O-CB 3.35Å; S503-T507 PolarHBondContact O-N 2.61Å; S503-T507 PolarHBondContact O-OG1 3.17Å; N504-T507 PolarHBondContact O-N 3.5Å; T507-S509 PolarHBondContact O-N 2.94Å; T507-S509 VanDerWaalsContact O-N 3.12Å; T507-G510 PolarHBondContact O-N 3.04Å
508	S	56.3	Low	67	Low	100 Å²	100	84.3 Å²	84.3	70%	0.699	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.7	174	80.9	0	0	0	0	113.9	N504 V505 L506 G510	N504-S508 PolarHBondContact O-N 2.79Å; V505-S508 WeakPolarHBondContact O-CB 3.41Å; V505-S508 PolarHBondContact O-N 3.35Å; V505-S508 PolarHBondContact O-OG 3.08Å; L506-S508 PolarHBondContact O-N 3.23Å; S508-G510 PolarHBondContact O-N 3.29Å
509	S	56.7	Low	66.6	Low	97 Å²	97	83.8 Å²	83.8	68%	0.678	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	5.6	173.4	-167.6	0	0	0	0	114.1	L506 T507 V511	L506-S509 VanDerWaalsContact O-CB 3.31Å; L506-S509 WeakPolarHBondContact O-CB 3.42Å; L506-S509 PolarHBondContact O-N 2.84Å; L506-S509 VanDerWaalsContact O-N 3.07Å; T507-S509 PolarHBondContact O-N 2.94Å; T507-S509 VanDerWaalsContact O-N 3.12Å; S509-V511 VanDerWaalsContact C-N 3.25Å; S509-V511 PolarHBondContact O-N 2.85Å
510	G	56.7	Low	66.4	Low	71 Å²	71	84.9 Å²	84.9	73%	0.732	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	-0.9	173.6	0	0	0	0	0	116	T507 S508	T507-G510 PolarHBondContact O-N 3.04Å; S508-G510 PolarHBondContact O-N 3.29Å
511	V	59.4	Low	66.4	Low	105 Å²	105	82.9 Å²	82.9	64%	0.636	49%	0.489	S	S	*	.			trans	-93.1	108.1	171.9	-179.6	0	0	0	0	108.6	S509 A513	S509-V511 VanDerWaalsContact C-N 3.25Å; S509-V511 PolarHBondContact O-N 2.85Å; V511-A513 PolarHBondContact O-N 3.15Å
512	Q	57.1	Low	66.4	Low	186 Å²	186	81 Å²	81	87%	0.869	48%	0.477	S	S	*	.			trans	-79	66.7	179.7	-165.8	170.7	4.9	0	0	111.7
513	A	59.6	Low	66.9	Low	62 Å²	62	83.9 Å²	83.9	51%	0.512	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-71.7	141.7	166.8	0	0	0	0	0	110	V511 S515	V511-A513 PolarHBondContact O-N 3.15Å; A513-S515 PolarHBondContact O-N 2.99Å
514	P	63.2	Low	67.6	Low	69 Å²	69	84.5 Å²	84.5	45%	0.448	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-59.6	138	171.2	-19.2	30.7	0	0	0	110.4	F518 F519	P514-F518 HydrophobicContact CB-CD1 3.68Å; P514-F518 HydrophobicContact CB-CE1 4.26Å; P514-F518 HydrophobicContact CB-CG 4.39Å; P514-F519 HydrophobicContact CB-CD2 4.24Å; P514-F519 HydrophobicContact CB-CE2 3.65Å; P514-F519 HydrophobicContact CB-CZ 4.05Å; P514-F519 HydrophobicContact CG-CE2 3.99Å; P514-F519 HydrophobicContact CG-CZ 3.96Å; P514-F519 WeakPolarHBondContact O-CE2 3.49Å
515	S	73.1	Confident	68.3	Low	36 Å²	36	86.3 Å²	86.3	25%	0.252	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-58.5	146.4	-177.2	179.4	0	0	0	0	111.5	S503 A513 H517 F518 F519	S503-S515 WeakPolarHBondContact CB-OG 3.39Å; S503-S515 PolarHBondContact OG-OG 3.29Å; S503-S515 VanDerWaalsContact OG-OG 3.07Å; A513-S515 PolarHBondContact O-N 2.99Å; S515-H517 PolarHBondContact O-N 2.64Å; S515-H517 VanDerWaalsContact O-N 3.1Å; S515-H517 PolarHBondContact OG-N 3.19Å; S515-F518 WeakPolarHBondContact O-CA 3.41Å; S515-F518 VanDerWaalsContact O-CB 3.31Å; S515-F518 WeakPolarHBondContact O-CB 3.36Å; S515-F518 PolarHBondContact O-N 3.49Å; S515-F519 PolarHBondContact O-N 2.85Å
516	A	70.3	Confident	68.9	Low	56 Å²	56	90.5 Å²	90.5	46%	0.463	50%	0.497	S	S	.	.	H	α-helix	trans	-55.1	-30.3	175.1	0	0	0	0	0	112.5	L499 M520	L499-A516 HydrophobicContact CD2-CB 4.46Å; A516-M520 WeakPolarHBondContact O-CB 3.38Å; A516-M520 PolarHBondContact O-N 3.28Å
517	H	72.8	Confident	69.8	Low	63 Å²	63	86.8 Å²	86.8	29%	0.292	48%	0.476	S	S	.	.	H	α-helix	trans	-61.4	-43.3	171.5	-175	-74	0	0	0	112.4	S515 M520 S521	S515-H517 PolarHBondContact O-N 2.64Å; S515-H517 VanDerWaalsContact O-N 3.1Å; S515-H517 PolarHBondContact OG-N 3.19Å; H517-M520 PolarHBondContact O-N 3.04Å; H517-S521 WeakPolarHBondContact O-CB 3.48Å; H517-S521 PolarHBondContact O-N 3.28Å; H517-S521 PolarHBondContact O-OG 3.11Å; H517-S521 VanDerWaalsContact O-OG 3.07Å
518	F	77.1	Confident	70.5	Confident	108 Å²	108	86.9 Å²	86.9	47%	0.474	47%	0.472	S	S	.	.	H	α-helix	trans	-61.6	-49.5	178.4	174	-96.5	0	0	0	110.9	P514 S515 M520 S521 E522	P514-F518 HydrophobicContact CB-CD1 3.68Å; P514-F518 HydrophobicContact CB-CE1 4.26Å; P514-F518 HydrophobicContact CB-CG 4.39Å; S515-F518 WeakPolarHBondContact O-CA 3.41Å; S515-F518 VanDerWaalsContact O-CB 3.31Å; S515-F518 WeakPolarHBondContact O-CB 3.36Å; S515-F518 PolarHBondContact O-N 3.49Å; F518-M520 VanDerWaalsContact C-N 3.35Å; F518-M520 PolarHBondContact O-N 3.09Å; F518-S521 WeakPolarHBondContact CA-OG 3.43Å; F518-S521 PolarHBondContact O-N 3.2Å; F518-S521 PolarHBondContact O-OG 3.29Å; F518-E522 HydrophobicContact CD2-CG 4.41Å; F518-E522 HydrophobicContact CE1-CG 4.15Å; F518-E522 HydrophobicContact CE2-CG 3.97Å; F518-E522 HydrophobicContact CZ-CG 3.83Å; F518-E522 PolarHBondContact O-N 3.35Å
519	F	75.8	Confident	71.1	Confident	124 Å²	124	87.3 Å²	87.3	54%	0.544	46%	0.463	S	S	.	.	H	α-helix	trans	-58.1	-44.4	176.2	-77.3	-71.4	0	0	0	112.6	P514 S515 E522 Y523	P514-F519 HydrophobicContact CB-CD2 4.24Å; P514-F519 HydrophobicContact CB-CE2 3.65Å; P514-F519 HydrophobicContact CB-CZ 4.05Å; P514-F519 HydrophobicContact CG-CE2 3.99Å; P514-F519 HydrophobicContact CG-CZ 3.96Å; P514-F519 WeakPolarHBondContact O-CE2 3.49Å; S515-F519 PolarHBondContact O-N 2.85Å; F519-E522 PolarHBondContact O-N 3.44Å; F519-Y523 WeakPolarHBondContact O-CB 3.4Å; F519-Y523 PolarHBondContact O-N 2.69Å
520	M	76.1	Confident	71.5	Confident	56 Å²	56	88 Å²	88	28%	0.276	46%	0.456	S	S	.	.	H	α-helix	trans	-69.1	-35.8	178.9	-170.9	150.6	55.6	0	0	112.4	W486 L499 A516 H517 F518 L524	W486-M520 HydrophobicContact CE3-SD 4.37Å; L499-M520 HydrophobicContact CD1-CE 3.49Å; L499-M520 VanDerWaalsContact CD1-CE 3.49Å; A516-M520 WeakPolarHBondContact O-CB 3.38Å; A516-M520 PolarHBondContact O-N 3.28Å; H517-M520 PolarHBondContact O-N 3.04Å; F518-M520 VanDerWaalsContact C-N 3.35Å; F518-M520 PolarHBondContact O-N 3.09Å; M520-L524 HydrophobicContact CG-CD1 4.29Å; M520-L524 WeakPolarHBondContact O-CB 3.26Å; M520-L524 WeakPolarHBondContact O-CG 3.26Å; M520-L524 PolarHBondContact O-N 2.98Å
521	S	76.7	Confident	71.8	Confident	44 Å²	44	87.2 Å²	87.2	31%	0.308	44%	0.439	S	S	.	.	H	α-helix	trans	-69.2	-39	174.1	60.3	0	0	0	0	113.3	H517 F518 K525	H517-S521 WeakPolarHBondContact O-CB 3.48Å; H517-S521 PolarHBondContact O-N 3.28Å; H517-S521 PolarHBondContact O-OG 3.11Å; H517-S521 VanDerWaalsContact O-OG 3.07Å; F518-S521 WeakPolarHBondContact CA-OG 3.43Å; F518-S521 PolarHBondContact O-N 3.2Å; F518-S521 PolarHBondContact O-OG 3.29Å; S521-K525 WeakPolarHBondContact O-CB 3.34Å; S521-K525 PolarHBondContact O-N 3.07Å
522	E	79.4	Confident	72	Confident	62 Å²	62	87.3 Å²	87.3	29%	0.29	43%	0.431	S	S	.	.	H	α-helix	trans	-72.9	-32.7	176	-77.4	-69.5	117.9	0	0	111.9	F518 F519 K525 R526	F518-E522 HydrophobicContact CD2-CG 4.41Å; F518-E522 HydrophobicContact CE1-CG 4.15Å; F518-E522 HydrophobicContact CE2-CG 3.97Å; F518-E522 HydrophobicContact CZ-CG 3.83Å; F518-E522 PolarHBondContact O-N 3.35Å; F519-E522 PolarHBondContact O-N 3.44Å; E522-K525 WeakPolarHBondContact OE1-CD 3.26Å; E522-K525 IonicContact OE1-NZ 3.64Å; E522-K525 PolarHBondContact OE1-NZ 3Å; E522-K525 IonicContact OE2-NZ 3.59Å; E522-R526 WeakPolarHBondContact O-CB 3.41Å; E522-R526 PolarHBondContact O-N 2.96Å
523	Y	80.7	Confident	72.1	Confident	140 Å²	140	84.9 Å²	84.9	55%	0.549	42%	0.42	S	S	.	.	H	α-helix	trans	-62.8	-53.6	168.9	178.7	-85.1	0	0	0	110.9	F519 K525 R526 E527	F519-Y523 WeakPolarHBondContact O-CB 3.4Å; F519-Y523 PolarHBondContact O-N 2.69Å; Y523-K525 VanDerWaalsContact C-N 3.26Å; Y523-K525 PolarHBondContact O-N 3.3Å; Y523-R526 CarbonylContact O-C 3.56Å; Y523-R526 PolarHBondContact O-N 3.32Å; Y523-E527 HydrophobicContact CD1-CB 4.49Å; Y523-E527 HydrophobicContact CE1-CB 4.04Å; Y523-E527 HydrophobicContact CE1-CG 4.35Å; Y523-E527 WeakPolarHBondContact CE1-OE1 3.33Å; Y523-E527 WeakPolarHBondContact O-CB 3.32Å; Y523-E527 PolarHBondContact O-N 2.87Å; Y523-E527 PolarHBondContact OH-OE1 3.26Å
524	L	79.8	Confident	72.1	Confident	26 Å²	26	88.7 Å²	88.7	14%	0.136	43%	0.43	C	S	.	.	H	α-helix	trans	-56.9	-38.4	178.4	-87.2	162.2	0	0	0	112.8	W486 K487 S490 M520 E528	W486-L524 HydrophobicContact CB-CD1 4.45Å; W486-L524 HydrophobicContact CB-CD2 3.89Å; K487-L524 HydrophobicContact CB-CD2 4.37Å; S490-L524 WeakPolarHBondContact OG-CD1 3.38Å; M520-L524 HydrophobicContact CG-CD1 4.29Å; M520-L524 WeakPolarHBondContact O-CB 3.26Å; M520-L524 WeakPolarHBondContact O-CG 3.26Å; M520-L524 PolarHBondContact O-N 2.98Å; L524-E528 VanDerWaalsContact O-CB 3.25Å; L524-E528 WeakPolarHBondContact O-CB 3.33Å; L524-E528 PolarHBondContact O-N 2.88Å
525	K	80	Confident	72.1	Confident	128 Å²	128	93 Å²	93	56%	0.557	44%	0.438	S	S	*	.	H	α-helix	trans	-69.6	-37	176.3	177.6	177	155.7	-156.8	0	112.3	S521 E522 Y523 Q529	S521-K525 WeakPolarHBondContact O-CB 3.34Å; S521-K525 PolarHBondContact O-N 3.07Å; E522-K525 WeakPolarHBondContact OE1-CD 3.26Å; E522-K525 IonicContact OE1-NZ 3.64Å; E522-K525 PolarHBondContact OE1-NZ 3Å; E522-K525 IonicContact OE2-NZ 3.59Å; Y523-K525 VanDerWaalsContact C-N 3.26Å; Y523-K525 PolarHBondContact O-N 3.3Å; K525-Q529 WeakPolarHBondContact O-CB 3.27Å; K525-Q529 PolarHBondContact O-N 3.18Å
526	R	80.1	Confident	71.8	Confident	176 Å²	176	97.2 Å²	97.2	66%	0.664	46%	0.455	S	S	*	.	H	α-helix	trans	-71.2	-42.3	173.7	-172.9	177	-60.2	163.7	5.7	112	E522 Y523 Q529 Q530	E522-R526 WeakPolarHBondContact O-CB 3.41Å; E522-R526 PolarHBondContact O-N 2.96Å; Y523-R526 CarbonylContact O-C 3.56Å; Y523-R526 PolarHBondContact O-N 3.32Å; R526-Q529 PolarHBondContact O-N 3.4Å; R526-Q530 VanDerWaalsContact O-CB 3.26Å; R526-Q530 WeakPolarHBondContact O-CB 3.42Å; R526-Q530 PolarHBondContact O-N 3.18Å
527	E	77.1	Confident	72.1	Confident	45 Å²	45	97.1 Å²	97.1	21%	0.21	45%	0.451	C	S	.	.	H	α-helix	trans	-64.3	-41.2	175.4	-176.4	176	-110.9	0	0	111.1	Y523 S531	Y523-E527 HydrophobicContact CD1-CB 4.49Å; Y523-E527 HydrophobicContact CE1-CB 4.04Å; Y523-E527 HydrophobicContact CE1-CG 4.35Å; Y523-E527 WeakPolarHBondContact CE1-OE1 3.33Å; Y523-E527 WeakPolarHBondContact O-CB 3.32Å; Y523-E527 PolarHBondContact O-N 2.87Å; Y523-E527 PolarHBondContact OH-OE1 3.26Å; E527-S531 VanDerWaalsContact O-CB 3.22Å; E527-S531 WeakPolarHBondContact O-CB 3.37Å; E527-S531 PolarHBondContact O-N 2.94Å; E527-S531 PolarHBondContact O-OG 2.9Å
528	E	72	Confident	72.5	Confident	70 Å²	70	94.9 Å²	94.9	33%	0.327	44%	0.441	S	S	.	.	H	α-helix	trans	-66.6	-40	173.2	-173.4	-178.2	-89.6	0	0	112	K487 L524 S531 K532	K487-E528 WeakPolarHBondContact CE-OE1 3.45Å; K487-E528 IonicContact NZ-OE1 3.38Å; K487-E528 PolarHBondContact NZ-OE1 3.19Å; L524-E528 VanDerWaalsContact O-CB 3.25Å; L524-E528 WeakPolarHBondContact O-CB 3.33Å; L524-E528 PolarHBondContact O-N 2.88Å; E528-S531 PolarHBondContact O-N 2.93Å; E528-K532 HydrophobicContact CG-CD 4.49Å; E528-K532 WeakPolarHBondContact O-CG 3.49Å; E528-K532 PolarHBondContact O-N 3.2Å; E528-K532 IonicContact OE2-NZ 2.68Å; E528-K532 PolarHBondContact OE2-NZ 3.33Å
529	Q	69	Low	72.8	Confident	110 Å²	110	92 Å²	92	51%	0.514	43%	0.432	S	S	.	.	H	α-helix	trans	-65.1	-47.4	175.6	-174.4	60.9	26	0	0	111.3	K525 R526 S531 K532 E533	K525-Q529 WeakPolarHBondContact O-CB 3.27Å; K525-Q529 PolarHBondContact O-N 3.18Å; R526-Q529 PolarHBondContact O-N 3.4Å; Q529-S531 VanDerWaalsContact C-N 3.27Å; Q529-S531 PolarHBondContact O-N 3.42Å; Q529-K532 WeakPolarHBondContact O-CB 3.47Å; Q529-K532 PolarHBondContact O-N 3.19Å; Q529-K532 VanDerWaalsContact O-N 3.08Å; Q529-E533 WeakPolarHBondContact O-CB 3.4Å; Q529-E533 PolarHBondContact O-N 2.85Å
530	Q	64.8	Low	73.1	Confident	111 Å²	111	88.2 Å²	88.2	52%	0.519	42%	0.417	S	S	.	.	H	α-helix	trans	-62.2	-35	175.7	-171.4	176	18.7	0	0	111.5	R526 K532 E533 L534	R526-Q530 VanDerWaalsContact O-CB 3.26Å; R526-Q530 WeakPolarHBondContact O-CB 3.42Å; R526-Q530 PolarHBondContact O-N 3.18Å; Q530-K532 VanDerWaalsContact C-N 3.33Å; Q530-K532 PolarHBondContact O-N 3.31Å; Q530-E533 PolarHBondContact O-N 2.99Å; Q530-L534 HydrophobicContact CG-CD1 4.13Å; Q530-L534 HydrophobicContact CG-CG 4.46Å; Q530-L534 WeakPolarHBondContact O-CB 3.44Å; Q530-L534 VanDerWaalsContact O-CG 3.23Å; Q530-L534 WeakPolarHBondContact O-CG 3.38Å; Q530-L534 PolarHBondContact O-N 2.88Å
531	S	64.1	Low	73.2	Confident	55 Å²	55	89.5 Å²	89.5	39%	0.385	42%	0.422	S	S	.	.	H	α-helix	trans	-69.1	-28.4	174.7	-61.6	0	0	0	0	113.1	E527 E528 Q529 R535	E527-S531 VanDerWaalsContact O-CB 3.22Å; E527-S531 WeakPolarHBondContact O-CB 3.37Å; E527-S531 PolarHBondContact O-N 2.94Å; E527-S531 PolarHBondContact O-OG 2.9Å; E528-S531 PolarHBondContact O-N 2.93Å; Q529-S531 VanDerWaalsContact C-N 3.27Å; Q529-S531 PolarHBondContact O-N 3.42Å; S531-R535 WeakPolarHBondContact O-CG 3.4Å; S531-R535 PolarHBondContact O-N 3.29Å
532	K	62.3	Low	72.6	Confident	106 Å²	106	92.5 Å²	92.5	46%	0.461	44%	0.444	S	S	.	.	H	α-helix	trans	-78.5	-35.8	171.4	-68.4	163.1	-173.1	160.6	0	111.6	E528 Q529 Q530 R535 M536	E528-K532 HydrophobicContact CG-CD 4.49Å; E528-K532 WeakPolarHBondContact O-CG 3.49Å; E528-K532 PolarHBondContact O-N 3.2Å; E528-K532 IonicContact OE2-NZ 2.68Å; E528-K532 PolarHBondContact OE2-NZ 3.33Å; Q529-K532 WeakPolarHBondContact O-CB 3.47Å; Q529-K532 PolarHBondContact O-N 3.19Å; Q529-K532 VanDerWaalsContact O-N 3.08Å; Q530-K532 VanDerWaalsContact C-N 3.33Å; Q530-K532 PolarHBondContact O-N 3.31Å; K532-R535 CarbonylContact O-C 3.59Å; K532-R535 WeakPolarHBondContact O-CA 3.49Å; K532-R535 PolarHBondContact O-N 3.13Å; K532-M536 PolarHBondContact O-N 3.23Å
533	E	61.1	Low	71.6	Confident	136 Å²	136	93.3 Å²	93.3	64%	0.636	45%	0.45	S	S	*	.	H	α-helix	trans	-71.2	-35.4	177.4	-169.1	171.4	-168.9	0	0	112	Q529 Q530 R535 M536	Q529-E533 WeakPolarHBondContact O-CB 3.4Å; Q529-E533 PolarHBondContact O-N 2.85Å; Q530-E533 PolarHBondContact O-N 2.99Å; E533-R535 VanDerWaalsContact C-N 3.26Å; E533-R535 PolarHBondContact O-N 2.98Å; E533-M536 WeakPolarHBondContact O-CB 3.21Å; E533-M536 PolarHBondContact O-N 3.4Å
534	L	58.6	Low	70.2	Confident	141 Å²	141	92 Å²	92	74%	0.738	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-22.6	168.7	-72	168.1	0	0	0	112.8	Q530	Q530-L534 HydrophobicContact CG-CD1 4.13Å; Q530-L534 HydrophobicContact CG-CG 4.46Å; Q530-L534 WeakPolarHBondContact O-CB 3.44Å; Q530-L534 VanDerWaalsContact O-CG 3.23Å; Q530-L534 WeakPolarHBondContact O-CG 3.38Å; Q530-L534 PolarHBondContact O-N 2.88Å
535	R	63	Low	69.1	Low	159 Å²	159	97.7 Å²	97.7	60%	0.6	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	44	168.8	-62.5	-168.5	-149.4	-178.3	2.4	111.3	S531 K532 E533 S537 G595	S531-R535 WeakPolarHBondContact O-CG 3.4Å; S531-R535 PolarHBondContact O-N 3.29Å; K532-R535 CarbonylContact O-C 3.59Å; K532-R535 WeakPolarHBondContact O-CA 3.49Å; K532-R535 PolarHBondContact O-N 3.13Å; E533-R535 VanDerWaalsContact C-N 3.26Å; E533-R535 PolarHBondContact O-N 2.98Å; R535-S537 PolarHBondContact O-N 3.26Å; R535-G595 WeakPolarHBondContact CD-O 3.44Å; R535-G595 VanDerWaalsContact CG-O 3.28Å; R535-G595 WeakPolarHBondContact CG-O 3.45Å
536	M	67.7	Low	67.8	Low	125 Å²	125	98.3 Å²	98.3	62%	0.616	50%	0.504	S	S	*	.			trans	-60.7	103.5	176.6	176.1	170.3	169.9	0	0	109.7	K532 E533 H538	K532-M536 PolarHBondContact O-N 3.23Å; E533-M536 WeakPolarHBondContact O-CB 3.21Å; E533-M536 PolarHBondContact O-N 3.4Å; M536-H538 PolarHBondContact O-N 3.01Å
537	S	76.1	Confident	67	Low	55 Å²	55	91.9 Å²	91.9	39%	0.385	49%	0.493	S	S	.	.			trans	-60.3	119.5	-179.5	56.7	0	0	0	0	110.3	R535 V539 T578 D592	R535-S537 PolarHBondContact O-N 3.26Å; S537-V539 PolarHBondContact O-N 2.93Å; S537-T578 PolarHBondContact O-OG1 3.4Å; S537-D592 CarbonylContact C-O 3.57Å; S537-D592 WeakPolarHBondContact CA-O 3.46Å
538	H	80.9	Confident	66.5	Low	16 Å²	16	93.6 Å²	93.6	7%	0.074	50%	0.504	C	S	.	.	B	Isolated β-bridge	trans	-87.2	108.6	176.1	178.6	-150.1	0	0	0	108.5	M536 D577 T578 K579 S590 L591 D592	M536-H538 PolarHBondContact O-N 3.01Å; H538-D577 IonicContact CD2-OD2 2.69Å; H538-D577 IonicContact CE1-OD2 2.61Å; H538-D577 IonicContact NE2-OD2 3.62Å; H538-D577 PolarHBondContact NE2-OD2 2.94Å; H538-T578 WeakPolarHBondContact CA-OG1 3.38Å; H538-K579 PolarHBondContact CE1-NZ 3.31Å; H538-K579 PolarHBondContact ND1-NZ 2.99Å; H538-S590 PolarHBondContact CE1-O 3.27Å; H538-S590 PolarHBondContact ND1-O 3.5Å; H538-L591 WeakPolarHBondContact O-CB 3.32Å; H538-D592 HydrophobicContact CB-CB 4.23Å; H538-D592 PolarHBondContact N-O 3.2Å; H538-D592 CarbonylContact O-C 3.59Å; H538-D592 VanDerWaalsContact O-C 3.25Å; H538-D592 PolarHBondContact O-N 2.91Å
539	V	83.4	Confident	66.7	Low	48 Å²	48	92.4 Å²	92.4	29%	0.291	50%	0.499	S	S	.	.			trans	-133.5	170.5	-173.1	-173.5	0	0	0	0	108	S537 D577 T578 P593	S537-V539 PolarHBondContact O-N 2.93Å; V539-D577 CarbonylContact O-C 3.25Å; V539-D577 WeakPolarHBondContact O-CA 3.15Å; V539-T578 HydrophobicContact CB-CG2 4.35Å; V539-T578 PolarHBondContact N-OG1 3.49Å; V539-T578 VanDerWaalsContact N-OG1 3.13Å; V539-T578 WeakPolarHBondContact O-CG2 3.44Å; V539-T578 PolarHBondContact O-N 2.96Å; V539-T578 PolarHBondContact O-OG1 3.06Å; V539-P593 HydrophobicContact CG2-CB 4.42Å
540	L	81.8	Confident	66.9	Low	44 Å²	44	87.9 Å²	87.9	23%	0.23	48%	0.48	C	S	.	.	B	Isolated β-bridge	trans	-59.9	147.4	162.2	-59.2	-171.1	0	0	0	110.4	S542 I589 L591 I602	L540-S542 PolarHBondContact O-N 3.27Å; L540-I589 HydrophobicContact CD2-CD1 3.64Å; L540-I589 HydrophobicContact CD2-CG2 4.07Å; L540-L591 HydrophobicContact CD2-CD1 4.02Å; L540-L591 HydrophobicContact CD2-CD2 4.32Å; L540-L591 HydrophobicContact CG-CD1 4Å; L540-I602 HydrophobicContact CD1-CD1 3.87Å; L540-I602 HydrophobicContact CD2-CD1 4.19Å; L540-I602 HydrophobicContact CG-CD1 4Å
541	Q	78.1	Confident	67.4	Low	82 Å²	82	85.3 Å²	85.3	38%	0.383	48%	0.483	S	S	.	.			trans	-71.7	110	166.8	-175.9	172.2	-41.5	0	0	108.3	D543 Y576	Q541-D543 WeakPolarHBondContact CG-OD1 3.35Å; Q541-D543 PolarHBondContact NE2-OD1 3.48Å; Q541-D543 PolarHBondContact NE2-OD2 3.05Å; Q541-D543 PolarHBondContact O-N 3.14Å; Q541-Y576 WeakPolarHBondContact CB-O 3.42Å; Q541-Y576 PolarHBondContact N-O 3.02Å
542	S	64.8	Low	68.1	Low	108 Å²	108	89.4 Å²	89.4	76%	0.755	50%	0.499	S	S	*	.			trans	-74.4	66.4	178.6	-60.1	0	0	0	0	111.9	L540 C544	L540-S542 PolarHBondContact O-N 3.27Å; S542-C544 PolarHBondContact O-N 2.92Å
543	D	58.4	Low	68.9	Low	79 Å²	79	87.9 Å²	87.9	42%	0.422	50%	0.501	S	S	.	.			trans	-71	67.4	171.3	-73	-26	0	0	0	110.5	Q541 L545	Q541-D543 WeakPolarHBondContact CG-OD1 3.35Å; Q541-D543 PolarHBondContact NE2-OD1 3.48Å; Q541-D543 PolarHBondContact NE2-OD2 3.05Å; Q541-D543 PolarHBondContact O-N 3.14Å; D543-L545 PolarHBondContact O-N 3.47Å
544	C	51.7	Low	70	Confident	112 Å²	112	85.8 Å²	85.8	76%	0.757	49%	0.488	S	S	*	.			trans	-74.4	66.4	172.6	-167.5	0	0	0	0	110	S542	S542-C544 PolarHBondContact O-N 2.92Å
545	L	55.8	Low	71.4	Confident	146 Å²	146	86.1 Å²	86.1	76%	0.764	49%	0.49	S	S	*	.			trans	-85.8	105.2	158	-67.5	179.6	0	0	0	107.2	D543 G547	D543-L545 PolarHBondContact O-N 3.47Å; L545-G547 PolarHBondContact O-N 2.71Å
546	T	53.7	Low	72.5	Confident	140 Å²	140	83.3 Å²	83.3	86%	0.859	49%	0.486	S	S	*	.			trans	-70.6	57.1	160.3	-42.5	0	0	0	0	109.1
547	G	62.5	Low	73.6	Confident	42 Å²	42	80.2 Å²	80.2	43%	0.433	47%	0.474	S	S	.	.			trans	-87.7	-179.7	175.3	0	0	0	0	0	111.1	L545 L549	L545-G547 PolarHBondContact O-N 2.71Å; G547-L549 PolarHBondContact O-N 3.4Å; G547-L549 VanDerWaalsContact O-N 3.17Å
548	D	66.9	Low	74.2	Confident	81 Å²	81	85.8 Å²	85.8	43%	0.433	49%	0.494	S	S	.	.			trans	-75.6	106.3	-176.4	-164.7	23.9	0	0	0	111	S553 R554	D548-S553 WeakPolarHBondContact CA-OG 3.49Å; D548-S553 PolarHBondContact OD1-OG 3.1Å; D548-R554 WeakPolarHBondContact OD1-CB 3.26Å; D548-R554 WeakPolarHBondContact OD1-CG 3.35Å; D548-R554 WeakPolarHBondContact OD2-CD 3.38Å; D548-R554 IonicContact OD2-CZ 2.69Å; D548-R554 IonicContact OD2-NE 2.68Å; D548-R554 IonicContact OD2-NH1 3.73Å; D548-R554 PolarHBondContact OD2-NH1 2.72Å
549	L	75.7	Confident	74.6	Confident	44 Å²	44	91.3 Å²	91.3	23%	0.23	52%	0.524	C	S	.	.			trans	-104.4	122.2	-177.8	-70.8	171.2	0	0	0	109.9	G547 I552 S553 R554 V572	G547-L549 PolarHBondContact O-N 3.4Å; G547-L549 VanDerWaalsContact O-N 3.17Å; L549-I552 HydrophobicContact CB-CB 4.08Å; L549-I552 HydrophobicContact CB-CD1 4.31Å; L549-I552 HydrophobicContact CD1-CD1 4.24Å; L549-I552 PolarHBondContact O-N 3.31Å; L549-I552 VanDerWaalsContact O-N 3.14Å; L549-S553 PolarHBondContact N-OG 3.3Å; L549-S553 PolarHBondContact O-N 2.93Å; L549-S553 PolarHBondContact O-OG 2.8Å; L549-R554 PolarHBondContact O-N 3Å; L549-V572 HydrophobicContact CD2-CG2 3.66Å
550	P	74.2	Confident	74.8	Confident	16 Å²	16	89.2 Å²	89.2	10%	0.104	51%	0.512	C	S	.	.	B	Isolated β-bridge	trans	-65.8	136.8	179.7	30.8	-37.2	0	0	0	110.7	I552 I556 D560 W569	P550-I552 VanDerWaalsContact C-N 3.25Å; P550-I552 PolarHBondContact O-N 2.89Å; P550-I556 HydrophobicContact CB-CB 4.44Å; P550-I556 HydrophobicContact CB-CG1 4.16Å; P550-I556 HydrophobicContact CB-CG2 4.43Å; P550-D560 HydrophobicContact CB-CB 4.06Å; P550-D560 HydrophobicContact CG-CB 4.13Å; P550-W569 VanDerWaalsContact CD-CH2 3.46Å; P550-W569 VanDerWaalsContact CD-CZ2 3.45Å; P550-W569 HydrophobicContact CG-CH2 3.5Å; P550-W569 VanDerWaalsContact CG-CH2 3.5Å; P550-W569 HydrophobicContact CG-CZ2 3.99Å; P550-W569 HydrophobicContact CG-CZ3 4.09Å
551	G	75.6	Confident	75.1	Confident	56 Å²	56	91.4 Å²	91.4	58%	0.577	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-2.4	-174.1	0	0	0	0	0	115	R554	G551-R554 PolarHBondContact N-O 3.38Å
552	I	76.9	Confident	75.6	Confident	141 Å²	141	92 Å²	92	72%	0.723	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.2	-50.2	-179.8	-58.6	175.6	0	0	0	111.6	L549 P550	L549-I552 HydrophobicContact CB-CB 4.08Å; L549-I552 HydrophobicContact CB-CD1 4.31Å; L549-I552 HydrophobicContact CD1-CD1 4.24Å; L549-I552 PolarHBondContact O-N 3.31Å; L549-I552 VanDerWaalsContact O-N 3.14Å; P550-I552 VanDerWaalsContact C-N 3.25Å; P550-I552 PolarHBondContact O-N 2.89Å
553	S	80.3	Confident	76.7	Confident	74 Å²	74	90.8 Å²	90.8	52%	0.517	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-23.2	177	56.3	0	0	0	0	114.2	D548 L549	D548-S553 WeakPolarHBondContact CA-OG 3.49Å; D548-S553 PolarHBondContact OD1-OG 3.1Å; L549-S553 PolarHBondContact N-OG 3.3Å; L549-S553 PolarHBondContact O-N 2.93Å; L549-S553 PolarHBondContact O-OG 2.8Å
554	R	84.3	Confident	78.1	Confident	92 Å²	92	89.4 Å²	89.4	35%	0.347	50%	0.5	S	S	.	.	B	Isolated β-bridge	trans	-133.8	163.3	172.1	68.9	156.9	178.5	-118.3	11.2	112	D548 L549 G551 D560	D548-R554 WeakPolarHBondContact OD1-CB 3.26Å; D548-R554 WeakPolarHBondContact OD1-CG 3.35Å; D548-R554 WeakPolarHBondContact OD2-CD 3.38Å; D548-R554 IonicContact OD2-CZ 2.69Å; D548-R554 IonicContact OD2-NE 2.68Å; D548-R554 IonicContact OD2-NH1 3.73Å; D548-R554 PolarHBondContact OD2-NH1 2.72Å; L549-R554 PolarHBondContact O-N 3Å; G551-R554 PolarHBondContact N-O 3.38Å; R554-D560 IonicContact CZ-OD1 3.6Å; R554-D560 IonicContact CZ-OD2 3.83Å; R554-D560 IonicContact NE-OD1 3.58Å; R554-D560 IonicContact NE-OD2 3.48Å; R554-D560 PolarHBondContact NE-OD2 2.79Å; R554-D560 IonicContact NH2-OD1 2.71Å; R554-D560 PolarHBondContact NH2-OD1 3.01Å; R554-D560 IonicContact NH2-OD2 3.79Å; R554-D560 PolarHBondContact NH2-OD2 3.23Å
555	D	87.3	Confident	79.7	Confident	148 Å²	148	91.8 Å²	91.8	79%	0.791	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-62.9	151.2	166.1	-65.7	-48.5	0	0	0	111.4
556	I	87.3	Confident	81.2	Confident	101 Å²	101	89.2 Å²	89.2	52%	0.518	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-78.6	125.5	-177.7	-51.9	174.3	0	0	0	109.4	P550 D560 L561	P550-I556 HydrophobicContact CB-CB 4.44Å; P550-I556 HydrophobicContact CB-CG1 4.16Å; P550-I556 HydrophobicContact CB-CG2 4.43Å; I556-D560 HydrophobicContact CG2-CB 4.17Å; I556-L561 HydrophobicContact CG2-CD2 3.92Å; I556-L561 HydrophobicContact CG2-CG 4.12Å
557	T	89.2	Confident	82.8	Confident	59 Å²	59	87.2 Å²	87.2	36%	0.362	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-96.1	165.3	175.6	66	0	0	0	0	112.6	D559 D560 L561	T557-D559 VanDerWaalsContact C-N 3.31Å; T557-D559 PolarHBondContact O-N 3.23Å; T557-D560 WeakPolarHBondContact CB-OD2 3.48Å; T557-D560 PolarHBondContact N-OD2 3.42Å; T557-D560 WeakPolarHBondContact O-CB 3.4Å; T557-D560 PolarHBondContact O-N 3.28Å; T557-D560 VanDerWaalsContact O-N 3.15Å; T557-D560 PolarHBondContact OG1-N 3.42Å; T557-D560 PolarHBondContact OG1-OD2 2.9Å; T557-L561 PolarHBondContact O-N 2.91Å
558	E	90.2	Very high	84.1	Confident	172 Å²	172	89 Å²	89	80%	0.804	47%	0.47	S	S	*	.	H	α-helix	trans	-65.2	-34.9	175	-168.8	168.1	-167.1	0	0	112	D560 L561 D562	E558-D560 VanDerWaalsContact C-N 3.29Å; E558-D560 PolarHBondContact O-N 3.1Å; E558-L561 PolarHBondContact O-N 3.34Å; E558-L561 VanDerWaalsContact O-N 3.15Å; E558-D562 PolarHBondContact O-N 2.87Å; E558-D562 VanDerWaalsContact O-N 3.08Å
559	D	87.8	Confident	84.9	Confident	133 Å²	133	86 Å²	86	71%	0.711	45%	0.453	S	S	*	.	H	α-helix	trans	-61.8	-35.1	171	-63.3	-59.9	0	0	0	112.1	T557 L561 R563	T557-D559 VanDerWaalsContact C-N 3.31Å; T557-D559 PolarHBondContact O-N 3.23Å; D559-L561 VanDerWaalsContact C-N 3.33Å; D559-R563 WeakPolarHBondContact O-CB 3.32Å; D559-R563 PolarHBondContact O-N 3.46Å
560	D	87.7	Confident	85.3	Confident	4 Å²	4	86.1 Å²	86.1	2%	0.021	46%	0.457	C	S	.	.	H	α-helix	trans	-67.2	-35.3	175.3	-66.3	-47.5	0	0	0	111.6	P550 R554 I556 T557 E558 R563 I564 W569	P550-D560 HydrophobicContact CB-CB 4.06Å; P550-D560 HydrophobicContact CG-CB 4.13Å; R554-D560 IonicContact CZ-OD1 3.6Å; R554-D560 IonicContact CZ-OD2 3.83Å; R554-D560 IonicContact NE-OD1 3.58Å; R554-D560 IonicContact NE-OD2 3.48Å; R554-D560 PolarHBondContact NE-OD2 2.79Å; R554-D560 IonicContact NH2-OD1 2.71Å; R554-D560 PolarHBondContact NH2-OD1 3.01Å; R554-D560 IonicContact NH2-OD2 3.79Å; R554-D560 PolarHBondContact NH2-OD2 3.23Å; I556-D560 HydrophobicContact CG2-CB 4.17Å; T557-D560 WeakPolarHBondContact CB-OD2 3.48Å; T557-D560 PolarHBondContact N-OD2 3.42Å; T557-D560 WeakPolarHBondContact O-CB 3.4Å; T557-D560 PolarHBondContact O-N 3.28Å; T557-D560 VanDerWaalsContact O-N 3.15Å; T557-D560 PolarHBondContact OG1-N 3.42Å; T557-D560 PolarHBondContact OG1-OD2 2.9Å; E558-D560 VanDerWaalsContact C-N 3.29Å; E558-D560 PolarHBondContact O-N 3.1Å; D560-R563 PolarHBondContact O-N 3.39Å; D560-I564 WeakPolarHBondContact O-CB 3.41Å; D560-I564 WeakPolarHBondContact O-CD1 3.36Å; D560-I564 WeakPolarHBondContact O-CG1 3.27Å; D560-I564 PolarHBondContact O-N 2.9Å; D560-W569 HydrophobicContact CB-CH2 4.42Å; D560-W569 HydrophobicContact CB-CZ3 4.24Å; D560-W569 VanDerWaalsContact OD1-CH2 3.26Å; D560-W569 WeakPolarHBondContact OD1-CH2 3.33Å
561	L	88.2	Confident	85.5	Confident	90 Å²	90	88.2 Å²	88.2	47%	0.471	48%	0.481	S	S	.	.	H	α-helix	trans	-70.5	-45.9	177.7	-64.6	176.4	0	0	0	112.3	I556 T557 E558 D559 R563 I564 H565	I556-L561 HydrophobicContact CG2-CD2 3.92Å; I556-L561 HydrophobicContact CG2-CG 4.12Å; T557-L561 PolarHBondContact O-N 2.91Å; E558-L561 PolarHBondContact O-N 3.34Å; E558-L561 VanDerWaalsContact O-N 3.15Å; D559-L561 VanDerWaalsContact C-N 3.33Å; L561-R563 VanDerWaalsContact C-N 3.3Å; L561-R563 PolarHBondContact O-N 2.84Å; L561-I564 PolarHBondContact O-N 2.85Å; L561-H565 PolarHBondContact O-CD2 3.39Å; L561-H565 VanDerWaalsContact O-CD2 3.24Å; L561-H565 PolarHBondContact O-N 2.79Å
562	D	89.6	Confident	85.8	Confident	94 Å²	94	87.9 Å²	87.9	50%	0.503	47%	0.467	S	S	.	.	H	α-helix	trans	-58.7	-46.1	171.7	174.2	66.5	0	0	0	110.3	E558 I564 H565 T566	E558-D562 PolarHBondContact O-N 2.87Å; E558-D562 VanDerWaalsContact O-N 3.08Å; D562-I564 VanDerWaalsContact C-N 3.29Å; D562-I564 PolarHBondContact O-N 3.3Å; D562-H565 CarbonylContact O-C 3.56Å; D562-H565 PolarHBondContact O-N 2.95Å; D562-T566 VanDerWaalsContact O-CB 3.24Å; D562-T566 WeakPolarHBondContact O-CB 3.27Å; D562-T566 PolarHBondContact O-N 2.7Å; D562-T566 PolarHBondContact O-OG1 3.11Å; D562-T566 PolarHBondContact OD1-OG1 3.3Å
563	R	88.1	Confident	86.2	Confident	83 Å²	83	81.9 Å²	81.9	31%	0.313	44%	0.437	S	S	.	.	H	α-helix	trans	-60.6	-36	-178.6	-172.4	169.6	178.2	-122.4	-9.1	113.4	D559 D560 L561 H565 Q567 W569	D559-R563 WeakPolarHBondContact O-CB 3.32Å; D559-R563 PolarHBondContact O-N 3.46Å; D560-R563 PolarHBondContact O-N 3.39Å; L561-R563 VanDerWaalsContact C-N 3.3Å; L561-R563 PolarHBondContact O-N 2.84Å; R563-H565 VanDerWaalsContact C-N 3.27Å; R563-H565 PolarHBondContact O-N 3.1Å; R563-Q567 HydrophobicContact CG-CB 4.1Å; R563-Q567 HydrophobicContact CG-CG 4.24Å; R563-Q567 VanDerWaalsContact NE-OE1 3.17Å; R563-Q567 WeakPolarHBondContact O-CB 3.46Å; R563-Q567 PolarHBondContact O-N 2.93Å; R563-W569 HydrophobicContact CB-CE3 4.25Å; R563-W569 HydrophobicContact CB-CZ3 4.18Å; R563-W569 HydrophobicContact CG-CE3 3.76Å; R563-W569 HydrophobicContact CG-CZ3 4.03Å; R563-W569 VanDerWaalsContact NH1-CD2 3.29Å; R563-W569 VanDerWaalsContact NH1-CH2 3.26Å
564	I	87.6	Confident	86.4	Confident	49 Å²	49	78.7 Å²	78.7	25%	0.251	42%	0.416	S	S	.	.	H	α-helix	trans	-65.5	-28	174.8	-76	166.3	0	0	0	112.4	D560 L561 D562 W569 V572 N573	D560-I564 WeakPolarHBondContact O-CB 3.41Å; D560-I564 WeakPolarHBondContact O-CD1 3.36Å; D560-I564 WeakPolarHBondContact O-CG1 3.27Å; D560-I564 PolarHBondContact O-N 2.9Å; L561-I564 PolarHBondContact O-N 2.85Å; D562-I564 VanDerWaalsContact C-N 3.29Å; D562-I564 PolarHBondContact O-N 3.3Å; I564-W569 HydrophobicContact CG1-CE3 4.03Å; I564-W569 HydrophobicContact CG1-CZ3 4.3Å; I564-V572 HydrophobicContact CD1-CG1 3.71Å; I564-V572 HydrophobicContact CG1-CG1 3.71Å; I564-N573 PolarHBondContact O-ND2 2.88Å
565	H	85	Confident	86.6	Confident	163 Å²	163	75.1 Å²	75.1	76%	0.755	41%	0.405	S	S	*	.	H	α-helix	trans	-94.8	-26.2	177.4	-67.8	-52.8	0	0	0	113.9	L561 D562 R563	L561-H565 PolarHBondContact O-CD2 3.39Å; L561-H565 VanDerWaalsContact O-CD2 3.24Å; L561-H565 PolarHBondContact O-N 2.79Å; D562-H565 CarbonylContact O-C 3.56Å; D562-H565 PolarHBondContact O-N 2.95Å; R563-H565 VanDerWaalsContact C-N 3.27Å; R563-H565 PolarHBondContact O-N 3.1Å
566	T	87.3	Confident	86.6	Confident	91 Å²	91	71.3 Å²	71.3	56%	0.558	38%	0.38	S	S	*	.	H	α-helix	trans	-105.3	-16.4	-170.1	-62.1	0	0	0	0	113.3	D562	D562-T566 VanDerWaalsContact O-CB 3.24Å; D562-T566 WeakPolarHBondContact O-CB 3.27Å; D562-T566 PolarHBondContact O-N 2.7Å; D562-T566 PolarHBondContact O-OG1 3.11Å; D562-T566 PolarHBondContact OD1-OG1 3.3Å
567	Q	87.4	Confident	86.6	Confident	98 Å²	98	66.6 Å²	66.6	46%	0.458	36%	0.356	S	S	.	.	S	Bend	trans	-138.5	150	-175.4	-57	-178	8	0	0	114.1	R563 W569 N573	R563-Q567 HydrophobicContact CG-CB 4.1Å; R563-Q567 HydrophobicContact CG-CG 4.24Å; R563-Q567 VanDerWaalsContact NE-OE1 3.17Å; R563-Q567 WeakPolarHBondContact O-CB 3.46Å; R563-Q567 PolarHBondContact O-N 2.93Å; Q567-W569 PolarHBondContact O-N 3.11Å; Q567-N573 PolarHBondContact O-ND2 3.4Å
568	N	88.8	Confident	86.4	Confident	80 Å²	80	66.3 Å²	66.3	43%	0.428	35%	0.354	S	S	.	.			trans	-69.8	115.6	167.6	-64	11.7	0	0	0	109.8	Y576 W582	N568-Y576 PolarHBondContact ND2-OH 3.44Å; N568-W582 HydrophobicContact CB-CD2 3.84Å; N568-W582 HydrophobicContact CB-CE3 3.97Å; N568-W582 HydrophobicContact CB-CG 4.49Å; N568-W582 HydrophobicContact CB-CH2 3.96Å; N568-W582 HydrophobicContact CB-CZ2 3.83Å; N568-W582 HydrophobicContact CB-CZ3 4.04Å
569	W	85.3	Confident	86	Confident	18 Å²	18	64.8 Å²	64.8	7%	0.068	34%	0.344	C	S	.	.			trans	-121.5	98.2	-179.5	-168.7	-19.7	0	0	0	110.6	P550 D560 R563 I564 Q567 G571 V572 N573	P550-W569 VanDerWaalsContact CD-CH2 3.46Å; P550-W569 VanDerWaalsContact CD-CZ2 3.45Å; P550-W569 HydrophobicContact CG-CH2 3.5Å; P550-W569 VanDerWaalsContact CG-CH2 3.5Å; P550-W569 HydrophobicContact CG-CZ2 3.99Å; P550-W569 HydrophobicContact CG-CZ3 4.09Å; D560-W569 HydrophobicContact CB-CH2 4.42Å; D560-W569 HydrophobicContact CB-CZ3 4.24Å; D560-W569 VanDerWaalsContact OD1-CH2 3.26Å; D560-W569 WeakPolarHBondContact OD1-CH2 3.33Å; R563-W569 HydrophobicContact CB-CE3 4.25Å; R563-W569 HydrophobicContact CB-CZ3 4.18Å; R563-W569 HydrophobicContact CG-CE3 3.76Å; R563-W569 HydrophobicContact CG-CZ3 4.03Å; R563-W569 VanDerWaalsContact NH1-CD2 3.29Å; R563-W569 VanDerWaalsContact NH1-CH2 3.26Å; I564-W569 HydrophobicContact CG1-CE3 4.03Å; I564-W569 HydrophobicContact CG1-CZ3 4.3Å; Q567-W569 PolarHBondContact O-N 3.11Å; W569-G571 PolarHBondContact O-N 3.18Å; W569-V572 HydrophobicContact CB-CB 4.16Å; W569-V572 HydrophobicContact CD2-CB 3.96Å; W569-V572 HydrophobicContact CD2-CG1 4.32Å; W569-V572 HydrophobicContact CD2-CG2 3.81Å; W569-V572 HydrophobicContact CE3-CB 4.49Å; W569-V572 HydrophobicContact CE3-CG1 4.38Å; W569-V572 HydrophobicContact CG-CB 3.79Å; W569-V572 HydrophobicContact CG-CG2 3.85Å; W569-V572 HydrophobicContact CZ2-CG2 4.24Å; W569-V572 PolarHBondContact O-N 3.49Å; W569-N573 WeakPolarHBondContact CA-OD1 3.27Å; W569-N573 PolarHBondContact N-OD1 3.1Å; W569-N573 PolarHBondContact O-N 2.89Å; W569-N573 PolarHBondContact O-OD1 3.49Å
570	P	83.4	Confident	85.8	Confident	47 Å²	47	60.8 Å²	60.8	31%	0.305	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-50.8	128.1	177.7	-27.6	34.2	0	0	0	112.7	V572 G574 Y576 W582	P570-V572 VanDerWaalsContact C-N 3.29Å; P570-V572 PolarHBondContact O-N 2.98Å; P570-G574 WeakPolarHBondContact CA-O 3.41Å; P570-Y576 HydrophobicContact CG-CD2 3.93Å; P570-Y576 HydrophobicContact CG-CE2 3.8Å; P570-W582 HydrophobicContact CG-CZ3 4.04Å
571	G	79.1	Confident	85.8	Confident	59 Å²	59	62.4 Å²	62.4	61%	0.608	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-1	179.8	0	0	0	0	0	115.5	W569 G574	W569-G571 PolarHBondContact O-N 3.18Å; G571-G574 PolarHBondContact N-O 3.29Å
572	V	80.6	Confident	85.8	Confident	50 Å²	50	60.6 Å²	60.6	30%	0.303	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-51.4	177.3	-177.6	0	0	0	0	112.2	L549 I564 W569 P570	L549-V572 HydrophobicContact CD2-CG2 3.66Å; I564-V572 HydrophobicContact CD1-CG1 3.71Å; I564-V572 HydrophobicContact CG1-CG1 3.71Å; W569-V572 HydrophobicContact CB-CB 4.16Å; W569-V572 HydrophobicContact CD2-CB 3.96Å; W569-V572 HydrophobicContact CD2-CG1 4.32Å; W569-V572 HydrophobicContact CD2-CG2 3.81Å; W569-V572 HydrophobicContact CE3-CB 4.49Å; W569-V572 HydrophobicContact CE3-CG1 4.38Å; W569-V572 HydrophobicContact CG-CB 3.79Å; W569-V572 HydrophobicContact CG-CG2 3.85Å; W569-V572 HydrophobicContact CZ2-CG2 4.24Å; W569-V572 PolarHBondContact O-N 3.49Å; P570-V572 VanDerWaalsContact C-N 3.29Å; P570-V572 PolarHBondContact O-N 2.98Å
573	N	85.3	Confident	85.7	Confident	14 Å²	14	58.7 Å²	58.7	8%	0.075	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	8.6	176.9	66.3	-0.8	0	0	0	113.9	I564 Q567 W569 W582 W585	I564-N573 PolarHBondContact O-ND2 2.88Å; Q567-N573 PolarHBondContact O-ND2 3.4Å; W569-N573 WeakPolarHBondContact CA-OD1 3.27Å; W569-N573 PolarHBondContact N-OD1 3.1Å; W569-N573 PolarHBondContact O-N 2.89Å; W569-N573 PolarHBondContact O-OD1 3.49Å; N573-W582 WeakPolarHBondContact OD1-CH2 3.42Å; N573-W582 VanDerWaalsContact OD1-CZ2 3.29Å; N573-W582 WeakPolarHBondContact OD1-CZ2 3.44Å; N573-W585 PolarHBondContact O-N 2.85Å
574	G	86.2	Confident	85.6	Confident	8 Å²	8	56.8 Å²	56.8	8%	0.082	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.3	-165.3	176.9	0	0	0	0	0	112.8	P570 G571 W582 Y583	P570-G574 WeakPolarHBondContact CA-O 3.41Å; G571-G574 PolarHBondContact N-O 3.29Å; G574-W582 VanDerWaalsContact CA-CH2 3.43Å; G574-W582 VanDerWaalsContact CA-CZ2 3.44Å; G574-Y583 CarbonylContact C-O 3.57Å; G574-Y583 WeakPolarHBondContact CA-O 3.41Å
575	C	87.4	Confident	85.4	Confident	17 Å²	17	61 Å²	61	12%	0.115	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	164.1	177.8	58.5	0	0	0	0	112.9	Y583 I589	C575-Y583 PolarHBondContact N-O 3.43Å; C575-Y583 PolarHBondContact O-N 3.29Å; C575-I589 VanDerWaalsContact SG-CD1 3.57Å
576	Y	87.5	Confident	85.2	Confident	67 Å²	67	57.1 Å²	57.1	26%	0.263	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	153.8	170.5	-69.4	-78.6	0	0	0	111	Q541 N568 P570 A581 W582	Q541-Y576 WeakPolarHBondContact CB-O 3.42Å; Q541-Y576 PolarHBondContact N-O 3.02Å; N568-Y576 PolarHBondContact ND2-OH 3.44Å; P570-Y576 HydrophobicContact CG-CD2 3.93Å; P570-Y576 HydrophobicContact CG-CE2 3.8Å; Y576-A581 CarbonylContact C-O 3.6Å; Y576-A581 VanDerWaalsContact CA-O 3.29Å; Y576-A581 WeakPolarHBondContact CA-O 3.38Å; Y576-W582 HydrophobicContact CD1-CB 4.04Å; Y576-W582 HydrophobicContact CD1-CE3 4.07Å; Y576-W582 AromaticContact CD2-CE3 3.77Å; Y576-W582 HydrophobicContact CD2-CE3 3.77Å; Y576-W582 HydrophobicContact CD2-CZ3 4.02Å; Y576-W582 HydrophobicContact CE1-CB 3.68Å; Y576-W582 HydrophobicContact CE1-CD2 4.4Å; Y576-W582 AromaticContact CE1-CE3 3.83Å; Y576-W582 HydrophobicContact CE1-CE3 3.83Å; Y576-W582 HydrophobicContact CE1-CG 4.41Å; Y576-W582 AromaticContact CE2-CE3 3.49Å; Y576-W582 HydrophobicContact CE2-CE3 3.49Å; Y576-W582 VanDerWaalsContact CE2-CE3 3.49Å; Y576-W582 AromaticContact CE2-CZ3 3.76Å; Y576-W582 HydrophobicContact CE2-CZ3 3.76Å; Y576-W582 HydrophobicContact CG-CE3 4.03Å; Y576-W582 AromaticContact CZ-CE3 3.5Å; Y576-W582 VanDerWaalsContact CZ-CE3 3.5Å
577	D	87.6	Confident	85	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.011	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-95.8	172.5	167.7	78.2	-4.9	0	0	0	112.7	H538 V539 K579 G580 A581 Y583	H538-D577 IonicContact CD2-OD2 2.69Å; H538-D577 IonicContact CE1-OD2 2.61Å; H538-D577 IonicContact NE2-OD2 3.62Å; H538-D577 PolarHBondContact NE2-OD2 2.94Å; V539-D577 CarbonylContact O-C 3.25Å; V539-D577 WeakPolarHBondContact O-CA 3.15Å; D577-K579 PolarHBondContact O-N 3.33Å; D577-K579 VanDerWaalsContact OD1-C 3.27Å; D577-K579 VanDerWaalsContact OD1-CA 3.26Å; D577-K579 WeakPolarHBondContact OD1-CA 3.35Å; D577-K579 WeakPolarHBondContact OD1-CB 3.41Å; D577-K579 PolarHBondContact OD1-N 2.9Å; D577-G580 PolarHBondContact O-N 3.25Å; D577-G580 PolarHBondContact OD1-N 3.38Å; D577-A581 PolarHBondContact N-O 3Å; D577-A581 PolarHBondContact OD1-N 2.98Å; D577-Y583 HydrophobicContact CB-CD2 4.48Å; D577-Y583 HydrophobicContact CB-CE2 3.98Å
578	T	83.9	Confident	84.9	Confident	53 Å²	53	56.6 Å²	56.6	33%	0.325	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	9.8	175.2	55.4	0	0	0	0	114.9	S537 H538 V539	S537-T578 PolarHBondContact O-OG1 3.4Å; H538-T578 WeakPolarHBondContact CA-OG1 3.38Å; V539-T578 HydrophobicContact CB-CG2 4.35Å; V539-T578 PolarHBondContact N-OG1 3.49Å; V539-T578 VanDerWaalsContact N-OG1 3.13Å; V539-T578 WeakPolarHBondContact O-CG2 3.44Å; V539-T578 PolarHBondContact O-N 2.96Å; V539-T578 PolarHBondContact O-OG1 3.06Å
579	K	83.1	Confident	84.8	Confident	140 Å²	140	52.8 Å²	52.8	61%	0.609	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	-2.7	171.5	-60.4	164.8	-179.6	160.2	0	112	H538 D577	H538-K579 PolarHBondContact CE1-NZ 3.31Å; H538-K579 PolarHBondContact ND1-NZ 2.99Å; D577-K579 PolarHBondContact O-N 3.33Å; D577-K579 VanDerWaalsContact OD1-C 3.27Å; D577-K579 VanDerWaalsContact OD1-CA 3.26Å; D577-K579 WeakPolarHBondContact OD1-CA 3.35Å; D577-K579 WeakPolarHBondContact OD1-CB 3.41Å; D577-K579 PolarHBondContact OD1-N 2.9Å
580	G	83.7	Confident	84.9	Confident	49 Å²	49	54.6 Å²	54.6	51%	0.505	31%	0.313	S	S	.	.	S	Bend	trans	80.4	12.5	-177.7	0	0	0	0	0	114.6	D577	D577-G580 PolarHBondContact O-N 3.25Å; D577-G580 PolarHBondContact OD1-N 3.38Å
581	A	87.7	Confident	85	Confident	38 Å²	38	52.8 Å²	52.8	31%	0.314	30%	0.301	S	S	.	.			trans	-79.2	133.6	171.2	0	0	0	0	0	110	Y576 D577 Y583	Y576-A581 CarbonylContact C-O 3.6Å; Y576-A581 VanDerWaalsContact CA-O 3.29Å; Y576-A581 WeakPolarHBondContact CA-O 3.38Å; D577-A581 PolarHBondContact N-O 3Å; D577-A581 PolarHBondContact OD1-N 2.98Å; A581-Y583 HydrophobicContact CB-CE2 3.84Å
582	W	88.2	Confident	85.3	Confident	53 Å²	53	51.2 Å²	51.2	20%	0.201	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	144.8	171.2	177.6	-102.5	0	0	0	110.4	N568 P570 N573 G574 Y576	N568-W582 HydrophobicContact CB-CD2 3.84Å; N568-W582 HydrophobicContact CB-CE3 3.97Å; N568-W582 HydrophobicContact CB-CG 4.49Å; N568-W582 HydrophobicContact CB-CH2 3.96Å; N568-W582 HydrophobicContact CB-CZ2 3.83Å; N568-W582 HydrophobicContact CB-CZ3 4.04Å; P570-W582 HydrophobicContact CG-CZ3 4.04Å; N573-W582 WeakPolarHBondContact OD1-CH2 3.42Å; N573-W582 VanDerWaalsContact OD1-CZ2 3.29Å; N573-W582 WeakPolarHBondContact OD1-CZ2 3.44Å; G574-W582 VanDerWaalsContact CA-CH2 3.43Å; G574-W582 VanDerWaalsContact CA-CZ2 3.44Å; Y576-W582 HydrophobicContact CD1-CB 4.04Å; Y576-W582 HydrophobicContact CD1-CE3 4.07Å; Y576-W582 AromaticContact CD2-CE3 3.77Å; Y576-W582 HydrophobicContact CD2-CE3 3.77Å; Y576-W582 HydrophobicContact CD2-CZ3 4.02Å; Y576-W582 HydrophobicContact CE1-CB 3.68Å; Y576-W582 HydrophobicContact CE1-CD2 4.4Å; Y576-W582 AromaticContact CE1-CE3 3.83Å; Y576-W582 HydrophobicContact CE1-CE3 3.83Å; Y576-W582 HydrophobicContact CE1-CG 4.41Å; Y576-W582 AromaticContact CE2-CE3 3.49Å; Y576-W582 HydrophobicContact CE2-CE3 3.49Å; Y576-W582 VanDerWaalsContact CE2-CE3 3.49Å; Y576-W582 AromaticContact CE2-CZ3 3.76Å; Y576-W582 HydrophobicContact CE2-CZ3 3.76Å; Y576-W582 HydrophobicContact CG-CE3 4.03Å; Y576-W582 AromaticContact CZ-CE3 3.5Å; Y576-W582 VanDerWaalsContact CZ-CE3 3.5Å
583	Y	87.1	Confident	85.2	Confident	54 Å²	54	50.8 Å²	50.8	21%	0.212	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	128.1	170.8	-66	-86.9	0	0	0	109.4	G574 C575 D577 A581 E587 I589	G574-Y583 CarbonylContact C-O 3.57Å; G574-Y583 WeakPolarHBondContact CA-O 3.41Å; C575-Y583 PolarHBondContact N-O 3.43Å; C575-Y583 PolarHBondContact O-N 3.29Å; D577-Y583 HydrophobicContact CB-CD2 4.48Å; D577-Y583 HydrophobicContact CB-CE2 3.98Å; A581-Y583 HydrophobicContact CB-CE2 3.84Å; Y583-E587 HydrophobicContact CD1-CB 4.48Å; Y583-I589 HydrophobicContact CD1-CB 4.46Å; Y583-I589 HydrophobicContact CD1-CG1 3.86Å; Y583-I589 HydrophobicContact CD1-CG2 4.39Å; Y583-I589 HydrophobicContact CD2-CD1 4.1Å; Y583-I589 HydrophobicContact CD2-CG1 4.14Å; Y583-I589 HydrophobicContact CD2-CG2 3.89Å; Y583-I589 HydrophobicContact CE1-CG2 4.34Å; Y583-I589 HydrophobicContact CE2-CG2 3.84Å; Y583-I589 HydrophobicContact CG-CB 4.41Å; Y583-I589 HydrophobicContact CG-CD1 3.82Å; Y583-I589 HydrophobicContact CG-CG1 3.62Å; Y583-I589 HydrophobicContact CG-CG2 4.17Å
584	D	86.4	Confident	84.9	Confident	43 Å²	43	56.5 Å²	56.5	23%	0.23	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	157.8	173.7	175.4	73.5	0	0	0	111.5	T586 E587	D584-T586 PolarHBondContact O-N 3.07Å; D584-T586 VanDerWaalsContact O-N 3.07Å; D584-T586 VanDerWaalsContact OD2-CB 3.29Å; D584-T586 WeakPolarHBondContact OD2-CB 3.44Å; D584-T586 WeakPolarHBondContact OD2-CG2 3.34Å; D584-T586 PolarHBondContact OD2-N 3.37Å; D584-T586 PolarHBondContact OD2-OG1 3.1Å; D584-E587 HydrophobicContact CB-CG 4.11Å; D584-E587 PolarHBondContact N-OE2 2.76Å; D584-E587 PolarHBondContact O-N 3.03Å
585	W	81.6	Confident	84.4	Confident	136 Å²	136	56.8 Å²	56.8	52%	0.515	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-19	178.6	68.7	-73.1	0	0	0	114.4	N573 Y605	N573-W585 PolarHBondContact O-N 2.85Å; W585-Y605 HydrophobicContact CE3-CE1 4.02Å; W585-Y605 HydrophobicContact CZ3-CE1 4.37Å
586	T	81.1	Confident	83.9	Confident	83 Å²	83	60.6 Å²	60.6	51%	0.509	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-8	174.2	68.1	0	0	0	0	114.7	D584	D584-T586 PolarHBondContact O-N 3.07Å; D584-T586 VanDerWaalsContact O-N 3.07Å; D584-T586 VanDerWaalsContact OD2-CB 3.29Å; D584-T586 WeakPolarHBondContact OD2-CB 3.44Å; D584-T586 WeakPolarHBondContact OD2-CG2 3.34Å; D584-T586 PolarHBondContact OD2-N 3.37Å; D584-T586 PolarHBondContact OD2-OG1 3.1Å
587	E	84.3	Confident	83.2	Confident	94 Å²	94	65.5 Å²	65.5	44%	0.439	35%	0.35	S	S	.	.	S	Bend	trans	-97.2	142.8	-171.1	-68.4	-176.7	129.7	0	0	114.2	Y583 D584 P604	Y583-E587 HydrophobicContact CD1-CB 4.48Å; D584-E587 HydrophobicContact CB-CG 4.11Å; D584-E587 PolarHBondContact N-OE2 2.76Å; D584-E587 PolarHBondContact O-N 3.03Å; E587-P604 VanDerWaalsContact O-CD 3.28Å; E587-P604 WeakPolarHBondContact O-CD 3.42Å
588	C	85.3	Confident	82.8	Confident	84 Å²	84	67.9 Å²	67.9	57%	0.568	37%	0.367	S	S	*	.			trans	-83.7	125.3	175.9	-69.9	0	0	0	0	111.5	I602	C588-I602 CarbonylContact C-O 3.46Å; C588-I602 WeakPolarHBondContact CA-O 3.21Å
589	I	86.6	Confident	82.8	Confident	0 Å²	0	73 Å²	73	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	115.1	-176.5	-43.7	-179.3	0	0	0	109.5	L540 C575 Y583 L591 N601 I602 P604	L540-I589 HydrophobicContact CD2-CD1 3.64Å; L540-I589 HydrophobicContact CD2-CG2 4.07Å; C575-I589 VanDerWaalsContact SG-CD1 3.57Å; Y583-I589 HydrophobicContact CD1-CB 4.46Å; Y583-I589 HydrophobicContact CD1-CG1 3.86Å; Y583-I589 HydrophobicContact CD1-CG2 4.39Å; Y583-I589 HydrophobicContact CD2-CD1 4.1Å; Y583-I589 HydrophobicContact CD2-CG1 4.14Å; Y583-I589 HydrophobicContact CD2-CG2 3.89Å; Y583-I589 HydrophobicContact CE1-CG2 4.34Å; Y583-I589 HydrophobicContact CE2-CG2 3.84Å; Y583-I589 HydrophobicContact CG-CB 4.41Å; Y583-I589 HydrophobicContact CG-CD1 3.82Å; Y583-I589 HydrophobicContact CG-CG1 3.62Å; Y583-I589 HydrophobicContact CG-CG2 4.17Å; I589-L591 HydrophobicContact CG2-CD2 3.67Å; I589-L591 HydrophobicContact CG2-CG 4.01Å; I589-L591 PolarHBondContact O-N 3.21Å; I589-N601 WeakPolarHBondContact O-CA 3.38Å; I589-I602 HydrophobicContact CB-CG1 4.06Å; I589-I602 PolarHBondContact N-O 2.89Å; I589-I602 PolarHBondContact O-N 3.2Å; I589-P604 HydrophobicContact CD1-CB 3.95Å; I589-P604 HydrophobicContact CD1-CG 4.07Å
590	S	86.6	Confident	82.9	Confident	56 Å²	56	70.7 Å²	70.7	39%	0.392	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	105.1	174.3	-63.4	0	0	0	0	111	H538 N601	H538-S590 PolarHBondContact CE1-O 3.27Å; H538-S590 PolarHBondContact ND1-O 3.5Å; S590-N601 WeakPolarHBondContact CA-OD1 3.21Å; S590-N601 WeakPolarHBondContact CB-OD1 3.37Å; S590-N601 PolarHBondContact OG-OD1 3.4Å
591	L	84.8	Confident	83	Confident	8 Å²	8	73.4 Å²	73.4	4%	0.042	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	158.5	-179.9	-62.5	-178	0	0	0	111.9	H538 L540 I589 K599 L600 I602	H538-L591 WeakPolarHBondContact O-CB 3.32Å; L540-L591 HydrophobicContact CD2-CD1 4.02Å; L540-L591 HydrophobicContact CD2-CD2 4.32Å; L540-L591 HydrophobicContact CG-CD1 4Å; I589-L591 HydrophobicContact CG2-CD2 3.67Å; I589-L591 HydrophobicContact CG2-CG 4.01Å; I589-L591 PolarHBondContact O-N 3.21Å; L591-K599 CarbonylContact O-C 3.04Å; L591-K599 VanDerWaalsContact O-CA 3.25Å; L591-K599 WeakPolarHBondContact O-CA 3.4Å; L591-L600 PolarHBondContact N-O 2.97Å; L591-L600 PolarHBondContact O-N 3.27Å; L591-I602 HydrophobicContact CD1-CD1 3.57Å; L591-I602 HydrophobicContact CD1-CG1 4.03Å
592	D	86.4	Confident	82.9	Confident	26 Å²	26	73.9 Å²	73.9	14%	0.139	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-128.3	86.5	167.8	178.8	-5	0	0	0	108.7	S537 H538 H594 G595 D596 E597	S537-D592 CarbonylContact C-O 3.57Å; S537-D592 WeakPolarHBondContact CA-O 3.46Å; H538-D592 HydrophobicContact CB-CB 4.23Å; H538-D592 PolarHBondContact N-O 3.2Å; H538-D592 CarbonylContact O-C 3.59Å; H538-D592 VanDerWaalsContact O-C 3.25Å; H538-D592 PolarHBondContact O-N 2.91Å; D592-H594 PolarHBondContact O-N 3.24Å; D592-H594 PolarHBondContact OD1-N 2.95Å; D592-G595 WeakPolarHBondContact OD1-CA 3.37Å; D592-G595 PolarHBondContact OD1-N 3.33Å; D592-D596 PolarHBondContact OD1-N 3.4Å; D592-D596 PolarHBondContact OD2-N 2.93Å; D592-E597 VanDerWaalsContact OD2-CA 3.28Å; D592-E597 WeakPolarHBondContact OD2-CA 3.12Å; D592-E597 PolarHBondContact OD2-N 2.92Å
593	P	79.3	Confident	82.5	Confident	41 Å²	41	74.9 Å²	74.9	27%	0.266	39%	0.388	S	S	.	.	S	Bend	trans	-69.7	-9.7	-175.2	-20.5	34.3	0	0	0	115	V539 L600	V539-P593 HydrophobicContact CG2-CB 4.42Å; P593-L600 HydrophobicContact CG-CB 4.36Å; P593-L600 HydrophobicContact CG-CD2 4.2Å
594	H	77.6	Confident	81.6	Confident	134 Å²	134	73.6 Å²	73.6	62%	0.62	39%	0.386	S	S	*	.	S	Bend	trans	-118.7	-14.1	-171.3	-65.4	-37.1	0	0	0	113.7	D592 D596	D592-H594 PolarHBondContact O-N 3.24Å; D592-H594 PolarHBondContact OD1-N 2.95Å; H594-D596 VanDerWaalsContact C-N 3.28Å
595	G	75.9	Confident	80.7	Confident	15 Å²	15	78.6 Å²	78.6	16%	0.155	40%	0.402	C	S	.	.	S	Bend	trans	65.6	34.7	-176.3	0	0	0	0	0	111.8	R535 D592	R535-G595 WeakPolarHBondContact CD-O 3.44Å; R535-G595 VanDerWaalsContact CG-O 3.28Å; R535-G595 WeakPolarHBondContact CG-O 3.45Å; D592-G595 WeakPolarHBondContact OD1-CA 3.37Å; D592-G595 PolarHBondContact OD1-N 3.33Å
596	D	76.9	Confident	79.5	Confident	96 Å²	96	77.5 Å²	77.5	51%	0.513	41%	0.411	S	S	.	.	S	Bend	trans	-124.8	17.8	-179.6	69.1	-5.4	0	0	0	112.4	D592 H594 S598	D592-D596 PolarHBondContact OD1-N 3.4Å; D592-D596 PolarHBondContact OD2-N 2.93Å; H594-D596 VanDerWaalsContact C-N 3.28Å; D596-S598 PolarHBondContact O-N 3.31Å; D596-S598 WeakPolarHBondContact OD1-CB 3.28Å; D596-S598 PolarHBondContact OD1-N 3.13Å; D596-S598 VanDerWaalsContact OD1-N 3.1Å; D596-S598 PolarHBondContact OD1-OG 3.3Å
597	E	73.9	Confident	77.9	Confident	170 Å²	170	78.8 Å²	78.8	79%	0.794	42%	0.422	S	S	*	.	S	Bend	trans	67.1	9	-176.3	-51.5	-176.2	-171.6	0	0	114.5	D592 K599	D592-E597 VanDerWaalsContact OD2-CA 3.28Å; D592-E597 WeakPolarHBondContact OD2-CA 3.12Å; D592-E597 PolarHBondContact OD2-N 2.92Å; E597-K599 VanDerWaalsContact C-N 3.34Å; E597-K599 PolarHBondContact O-N 3.02Å
598	S	79	Confident	75.8	Confident	52 Å²	52	82.6 Å²	82.6	36%	0.364	44%	0.444	S	S	.	.			trans	-73.7	81.8	176.3	66	0	0	0	0	112.5	D596 L600	D596-S598 PolarHBondContact O-N 3.31Å; D596-S598 WeakPolarHBondContact OD1-CB 3.28Å; D596-S598 PolarHBondContact OD1-N 3.13Å; D596-S598 VanDerWaalsContact OD1-N 3.1Å; D596-S598 PolarHBondContact OD1-OG 3.3Å; S598-L600 PolarHBondContact O-N 2.96Å
599	K	84.3	Confident	73.6	Confident	161 Å²	161	89.6 Å²	89.6	70%	0.7	48%	0.476	S	S	*	.			trans	-64.5	105.7	-177.2	-67	-177.4	-174.6	178.9	0	112.8	L591 E597	L591-K599 CarbonylContact O-C 3.04Å; L591-K599 VanDerWaalsContact O-CA 3.25Å; L591-K599 WeakPolarHBondContact O-CA 3.4Å; E597-K599 VanDerWaalsContact C-N 3.34Å; E597-K599 PolarHBondContact O-N 3.02Å
600	L	85.3	Confident	72.9	Confident	91 Å²	91	94.1 Å²	94.1	48%	0.476	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	109.6	170	-177.2	68.6	0	0	0	109.2	L591 P593 S598 I602	L591-L600 PolarHBondContact N-O 2.97Å; L591-L600 PolarHBondContact O-N 3.27Å; P593-L600 HydrophobicContact CG-CB 4.36Å; P593-L600 HydrophobicContact CG-CD2 4.2Å; S598-L600 PolarHBondContact O-N 2.96Å; L600-I602 HydrophobicContact CD2-CG2 3.93Å; L600-I602 HydrophobicContact CG-CG2 3.87Å
601	N	85.2	Confident	72.2	Confident	106 Å²	106	96.1 Å²	96.1	57%	0.567	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	120.7	170.7	-62.7	-36.2	0	0	0	109.2	I589 S590	I589-N601 WeakPolarHBondContact O-CA 3.38Å; S590-N601 WeakPolarHBondContact CA-OD1 3.21Å; S590-N601 WeakPolarHBondContact CB-OD1 3.37Å; S590-N601 PolarHBondContact OG-OD1 3.4Å
602	I	84.4	Confident	71.5	Confident	48 Å²	48	100.9 Å²	100.9	25%	0.246	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	155.4	172.6	66.2	170.9	0	0	0	110.8	L540 C588 I589 L591 L600	L540-I602 HydrophobicContact CD1-CD1 3.87Å; L540-I602 HydrophobicContact CD2-CD1 4.19Å; L540-I602 HydrophobicContact CG-CD1 4Å; C588-I602 CarbonylContact C-O 3.46Å; C588-I602 WeakPolarHBondContact CA-O 3.21Å; I589-I602 HydrophobicContact CB-CG1 4.06Å; I589-I602 PolarHBondContact N-O 2.89Å; I589-I602 PolarHBondContact O-N 3.2Å; L591-I602 HydrophobicContact CD1-CD1 3.57Å; L591-I602 HydrophobicContact CD1-CG1 4.03Å; L600-I602 HydrophobicContact CD2-CG2 3.93Å; L600-I602 HydrophobicContact CG-CG2 3.87Å
603	L	80.1	Confident	70.6	Confident	75 Å²	75	105.4 Å²	105.4	39%	0.393	55%	0.554	S	S	.	*			trans	-101.5	138.5	157.3	-78.9	146.6	0	0	0	107	Y605	L603-Y605 HydrophobicContact CB-CD2 3.54Å; L603-Y605 HydrophobicContact CB-CE2 3.56Å; L603-Y605 HydrophobicContact CD1-CE2 4.09Å; L603-Y605 HydrophobicContact CD2-CE2 4.17Å; L603-Y605 HydrophobicContact CG-CE2 4.15Å; L603-Y605 PolarHBondContact O-N 2.89Å
604	P	68.8	Low	70.1	Confident	27 Å²	27	109.4 Å²	109.4	18%	0.175	57%	0.572	C	S	.	*			trans	-78.1	39.8	-171.9	35.1	-40	0	0	0	113.6	E587 I589	E587-P604 VanDerWaalsContact O-CD 3.28Å; E587-P604 WeakPolarHBondContact O-CD 3.42Å; I589-P604 HydrophobicContact CD1-CB 3.95Å; I589-P604 HydrophobicContact CD1-CG 4.07Å
605	Y	67.5	Low	69.6	Low	147 Å²	147	107.7 Å²	107.7	58%	0.576	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-74.6	129.5	174.4	-65.9	-67.4	0	0	0	111.2	W585 L603	W585-Y605 HydrophobicContact CE3-CE1 4.02Å; W585-Y605 HydrophobicContact CZ3-CE1 4.37Å; L603-Y605 HydrophobicContact CB-CD2 3.54Å; L603-Y605 HydrophobicContact CB-CE2 3.56Å; L603-Y605 HydrophobicContact CD1-CE2 4.09Å; L603-Y605 HydrophobicContact CD2-CE2 4.17Å; L603-Y605 HydrophobicContact CG-CE2 4.15Å; L603-Y605 PolarHBondContact O-N 2.89Å
606	V	57.2	Low	69.1	Low	114 Å²	114	114.4 Å²	114.4	69%	0.691	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-79.8	139.3	169.9	-176.3	0	0	0	0	109.2	L608	V606-L608 PolarHBondContact O-N 2.68Å
607	C	45.7	Very low	68.5	Low	110 Å²	110	115.8 Å²	115.8	74%	0.743	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-67.4	122.7	169.2	-66.2	0	0	0	0	109.8	D609	C607-D609 PolarHBondContact O-N 3.41Å
608	L	40.9	Very low	68.1	Low	174 Å²	174	111.3 Å²	111.3	91%	0.911	59%	0.589	S	S	*	*			trans	-87.7	76.4	172.4	-59.1	175.8	0	0	0	109.2	V606	V606-L608 PolarHBondContact O-N 2.68Å
609	D	38.8	Very low	67.1	Low	230 Å²	230	116.6 Å²	116.6	100%	1.23	61%	0.61	S	S	*	*			trans	-118.3	0	174.8	-103.4	-15.8	0	0	0	110	C607	C607-D609 PolarHBondContact O-N 3.41Å

Retrieved 609 of 609 residues in 234.6 ms (Link to these results)

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