A0A096NXS0_PAPAN Loading...

Rho guanine nucleotide exchange factor 9

Acts as a guanine nucleotide exchange factor (GEF) for CDC42. Promotes formation of GPHN clusters.

AlphaFold DB (A0A2K6AMV5), UniProt , Accession A0A096NXS0, Species PAPAN (Papio anubis, Olive baboon), Gene ARHGEF9, Length 545 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25.2	Very low	30.9	Very low	240 Å²	240	128.3 Å²	128.3	100%	1.182	69%	0.688	S	S	*	*				0	88.5	0	-76	176	177.1	0	0	107.8
2	Q	21.9	Very low	32.2	Very low	192 Å²	192	121.8 Å²	121.8	90%	0.897	65%	0.652	S	S	*	*			trans	-140.7	117.5	-179.2	-144.1	166.1	9.3	0	0	107.4
3	W	23.1	Very low	33	Very low	186 Å²	186	118.2 Å²	118.2	71%	0.705	64%	0.638	S	S	*	*			trans	-73.1	139.9	-169.3	-57.8	89	0	0	0	111.6	L11	W3-L11 HydrophobicContact CB-CD2 3.87Å; W3-L11 HydrophobicContact CD2-CD2 4.43Å; W3-L11 HydrophobicContact CE3-CD2 4.34Å; W3-L11 HydrophobicContact CG-CD2 4.27Å
4	I	29.8	Very low	33.7	Very low	117 Å²	117	114.1 Å²	114.1	60%	0.6	64%	0.637	S	S	*	*			trans	-83.4	124.8	177.8	-61.2	177.9	0	0	0	108.9	G6 K50	I4-G6 PolarHBondContact O-N 3.46Å; I4-K50 HydrophobicContact CD1-CB 3.58Å
5	R	29	Very low	34.4	Very low	237 Å²	237	117.3 Å²	117.3	89%	0.894	65%	0.653	S	S	*	*			trans	-82	106.2	166.4	-80.8	-175	-179.1	-167.6	-0.9	108.8
6	G	28.8	Very low	35.8	Very low	42 Å²	42	111.9 Å²	111.9	43%	0.433	63%	0.625	S	S	.	*			trans	-67.9	157	157.9	0	0	0	0	0	110.6	I4 S8	I4-G6 PolarHBondContact O-N 3.46Å; G6-S8 CarbonylContact C-O 3.43Å; G6-S8 CarbonylContact O-C 3.5Å; G6-S8 VanDerWaalsContact O-C 3.29Å; G6-S8 PolarHBondContact O-N 2.97Å
7	G	35.9	Very low	37.7	Very low	56 Å²	56	110.5 Å²	110.5	58%	0.577	62%	0.615	S	S	*	*	S	Bend	trans	-62.4	-9.2	-176.7	0	0	0	0	0	115.6
8	S	39	Very low	40.2	Very low	57 Å²	57	104.4 Å²	104.4	40%	0.399	58%	0.581	S	S	.	*	S	Bend	trans	-108.3	127.4	157.9	-59.7	0	0	0	0	106.1	G6 M10	G6-S8 CarbonylContact C-O 3.43Å; G6-S8 CarbonylContact O-C 3.5Å; G6-S8 VanDerWaalsContact O-C 3.29Å; G6-S8 PolarHBondContact O-N 2.97Å; S8-M10 PolarHBondContact O-N 2.72Å
9	G	32.8	Very low	42.6	Very low	84 Å²	84	100.6 Å²	100.6	87%	0.866	56%	0.563	S	S	*	*			trans	-66.6	41.5	-175.7	0	0	0	0	0	115.5
10	M	38.4	Very low	44.8	Very low	96 Å²	96	95.6 Å²	95.6	47%	0.473	53%	0.534	S	S	.	.			trans	-97.7	111	176	-162.9	157.7	151.9	0	0	108.4	S8 I12 V18	S8-M10 PolarHBondContact O-N 2.72Å; M10-I12 PolarHBondContact O-N 3.33Å; M10-V18 HydrophobicContact CE-CG1 4.47Å
11	L	36.3	Very low	46.7	Very low	104 Å²	104	92.9 Å²	92.9	55%	0.545	52%	0.518	S	S	.	.			trans	-69.7	108.4	169.8	-69.7	160.6	0	0	0	106.7	W3 T13	W3-L11 HydrophobicContact CB-CD2 3.87Å; W3-L11 HydrophobicContact CD2-CD2 4.43Å; W3-L11 HydrophobicContact CE3-CD2 4.34Å; W3-L11 HydrophobicContact CG-CD2 4.27Å; L11-T13 PolarHBondContact O-N 2.66Å
12	I	45.7	Very low	49.3	Very low	50 Å²	50	81.5 Å²	81.5	26%	0.256	46%	0.462	S	S	.	.			trans	-71.1	99.6	169.3	-54.4	174.7	0	0	0	106.2	M10 V18 A47 L71	M10-I12 PolarHBondContact O-N 3.33Å; I12-V18 HydrophobicContact CD1-CG2 4.14Å; I12-A47 HydrophobicContact CD1-CB 4.02Å; I12-A47 HydrophobicContact CG2-CB 4.07Å; I12-L71 HydrophobicContact CD1-CD1 3.95Å
13	T	43	Very low	51.4	Low	76 Å²	76	73 Å²	73	47%	0.466	42%	0.422	S	S	.	.			trans	-73.2	145	164.9	45.1	0	0	0	0	108.1	L11 D15 S16	L11-T13 PolarHBondContact O-N 2.66Å; T13-D15 PolarHBondContact O-N 2.65Å; T13-S16 PolarHBondContact O-N 2.91Å; T13-S16 PolarHBondContact O-OG 3.18Å; T13-S16 VanDerWaalsContact O-OG 3.06Å
14	G	42.8	Very low	52.8	Low	61 Å²	61	67.7 Å²	67.7	63%	0.629	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	5.9	-173.7	0	0	0	0	0	117.5
15	D	43.8	Very low	54.3	Low	162 Å²	162	65.2 Å²	65.2	87%	0.866	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	-1.6	177.4	-74.9	-17.9	0	0	0	113.7	T13	T13-D15 PolarHBondContact O-N 2.65Å
16	S	56.7	Low	56.1	Low	31 Å²	31	54.7 Å²	54.7	22%	0.217	35%	0.351	C	S	.	.			trans	-93.9	113.6	178.2	58	0	0	0	0	110.5	T13 V18	T13-S16 PolarHBondContact O-N 2.91Å; T13-S16 PolarHBondContact O-OG 3.18Å; T13-S16 VanDerWaalsContact O-OG 3.06Å; S16-V18 PolarHBondContact O-N 3.09Å
17	I	68.4	Low	57.8	Low	87 Å²	87	55.5 Å²	55.5	45%	0.446	35%	0.348	S	S	.	.			trans	-77.7	122.1	176.7	-55	173.6	0	0	0	109.4	K43 L45	I17-K43 HydrophobicContact CG2-CB 4.47Å; I17-K43 HydrophobicContact CG2-CD 3.69Å; I17-K43 HydrophobicContact CG2-CG 3.1Å; I17-L45 HydrophobicContact CD1-CD2 4.37Å; I17-L45 HydrophobicContact CG1-CD2 4.29Å; I17-L45 HydrophobicContact CG2-CD2 4.19Å
18	V	82.9	Confident	58.9	Low	1 Å²	1	54.3 Å²	54.3	1%	0.006	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.9	-174.6	-54.2	0	0	0	0	110.8	M10 I12 S16 V44 L71 Q75	M10-V18 HydrophobicContact CE-CG1 4.47Å; I12-V18 HydrophobicContact CD1-CG2 4.14Å; S16-V18 PolarHBondContact O-N 3.09Å; V18-V44 HydrophobicContact CG2-CB 3.63Å; V18-V44 HydrophobicContact CG2-CG1 4.28Å; V18-V44 HydrophobicContact CG2-CG2 4.06Å; V18-V44 PolarHBondContact N-O 2.85Å; V18-V44 WeakPolarHBondContact O-CB 3.08Å; V18-V44 WeakPolarHBondContact O-CG2 3.34Å; V18-V44 PolarHBondContact O-N 3.43Å; V18-L71 HydrophobicContact CB-CD2 4.23Å; V18-L71 HydrophobicContact CG2-CD2 3.47Å; V18-L71 VanDerWaalsContact CG2-CD2 3.47Å; V18-Q75 VanDerWaalsContact CB-NE2 3.26Å
19	S	86.5	Confident	59.2	Low	33 Å²	33	59.8 Å²	59.8	23%	0.231	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	137.4	176.8	-58.6	0	0	0	0	111.5	W72	S19-W72 PolarHBondContact O-N 3.02Å
20	A	86.3	Confident	60.2	Low	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	153.5	172	0	0	0	0	0	110.1	V41 I42 V44 V69 R70 L71	A20-V41 CarbonylContact O-C 3.55Å; A20-V41 WeakPolarHBondContact O-CA 3.3Å; A20-I42 PolarHBondContact N-O 2.92Å; A20-I42 PolarHBondContact O-N 3.15Å; A20-V44 HydrophobicContact CB-CG2 3.77Å; A20-V69 HydrophobicContact CB-CB 4.03Å; A20-V69 HydrophobicContact CB-CG2 3.97Å; A20-R70 CarbonylContact C-O 3.46Å; A20-R70 VanDerWaalsContact CA-O 3.23Å; A20-R70 WeakPolarHBondContact CA-O 3.33Å; A20-L71 HydrophobicContact CB-CD2 4.1Å
21	E	84.9	Confident	61.4	Low	39 Å²	39	61.4 Å²	61.4	18%	0.182	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.8	171.3	-177.9	180	179.5	0	0	109.4	V23 D40 V69 R70 L258	E21-V23 PolarHBondContact O-N 3.3Å; E21-D40 CarbonylContact C-O 3.55Å; E21-D40 WeakPolarHBondContact CA-O 3.45Å; E21-V69 CarbonylContact O-C 3.58Å; E21-V69 WeakPolarHBondContact O-CA 2.96Å; E21-R70 PolarHBondContact N-O 3.34Å; E21-R70 PolarHBondContact O-N 2.81Å; E21-L258 HydrophobicContact CG-CD2 4.47Å; E21-L258 WeakPolarHBondContact OE1-CD2 3.26Å
22	A	78.7	Confident	63.2	Low	1 Å²	1	65.9 Å²	65.9	1%	0.008	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	123.2	175.8	0	0	0	0	0	110.9	F36 K37 A38 G39 D40 I42	A22-F36 HydrophobicContact CB-CD2 3.39Å; A22-F36 HydrophobicContact CB-CE2 3.68Å; A22-F36 HydrophobicContact CB-CG 4.28Å; A22-K37 WeakPolarHBondContact CB-O 3.47Å; A22-A38 CarbonylContact O-C 3.44Å; A22-A38 WeakPolarHBondContact O-CA 3.24Å; A22-G39 PolarHBondContact O-N 2.82Å; A22-D40 HydrophobicContact CB-CB 4.49Å; A22-D40 PolarHBondContact N-O 2.85Å; A22-I42 HydrophobicContact CB-CD1 4.24Å
23	V	67.4	Low	64.8	Low	12 Å²	12	66.7 Å²	66.7	7%	0.073	36%	0.36	C	S	.	.	S	Bend	trans	-84.1	-29.2	172.1	-169.1	0	0	0	0	110.5	E21 F68 R70 C254 K255 L258	E21-V23 PolarHBondContact O-N 3.3Å; V23-F68 PolarHBondContact N-O 3.03Å; V23-R70 HydrophobicContact CG2-CB 3.74Å; V23-C254 HydrophobicContact CG1-CB 3.79Å; V23-K255 HydrophobicContact CG1-CG 4.3Å; V23-L258 HydrophobicContact CB-CD1 4.17Å; V23-L258 HydrophobicContact CG1-CD1 4.15Å; V23-L258 HydrophobicContact CG2-CD1 3.67Å
24	W	52.1	Low	66.7	Low	76 Å²	76	63.3 Å²	63.3	29%	0.288	34%	0.339	S	S	.	.	S	Bend	trans	-134.5	153.3	-177.6	-62.8	107.8	0	0	0	110.2	H26 F36 F68 V250 C254	W24-H26 PolarHBondContact O-N 3.29Å; W24-F36 VanDerWaalsContact O-CE2 3.29Å; W24-F36 WeakPolarHBondContact O-CE2 3.44Å; W24-F68 HydrophobicContact CB-CB 4.4Å; W24-F68 HydrophobicContact CB-CD2 3.69Å; W24-F68 HydrophobicContact CB-CE2 4.21Å; W24-F68 HydrophobicContact CB-CG 4.18Å; W24-F68 PolarHBondContact N-O 3.01Å; W24-V250 HydrophobicContact CH2-CG1 4.3Å; W24-V250 HydrophobicContact CZ2-CG1 4.13Å; W24-C254 HydrophobicContact CH2-CB 4.15Å; W24-C254 WeakPolarHBondContact CH2-SG 3.45Å; W24-C254 HydrophobicContact CZ2-CB 3.73Å; W24-C254 WeakPolarHBondContact CZ2-SG 3.49Å
25	D	61.7	Low	68.5	Low	65 Å²	65	62.9 Å²	62.9	35%	0.348	33%	0.33	S	S	.	.			trans	-62.8	130.6	166.7	-70	10.9	0	0	0	109.5	F36 K37 A38 F68 L525	D25-F36 CarbonylContact C-O 3.56Å; D25-F36 VanDerWaalsContact CA-O 3.31Å; D25-F36 WeakPolarHBondContact CA-O 3.33Å; D25-K37 WeakPolarHBondContact OD1-CA 3.39Å; D25-A38 PolarHBondContact OD1-N 3.18Å; D25-F68 WeakPolarHBondContact O-CD2 3.39Å; D25-F68 WeakPolarHBondContact O-CE2 3.29Å; D25-L525 HydrophobicContact CB-CB 4.12Å; D25-L525 HydrophobicContact CB-CD1 3.73Å; D25-L525 WeakPolarHBondContact OD2-CB 3.2Å
26	H	65.5	Low	70	Confident	15 Å²	15	55.3 Å²	55.3	7%	0.069	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-107.7	97.4	165.5	-175.1	34.4	0	0	0	108.8	W24 E33 L34 A35 F36 W52 P65 F68 L525	W24-H26 PolarHBondContact O-N 3.29Å; H26-E33 IonicContact CE1-OE2 3.67Å; H26-E33 IonicContact NE2-OE2 2.66Å; H26-L34 PolarHBondContact CD2-O 3.35Å; H26-A35 VanDerWaalsContact O-CA 3.23Å; H26-A35 WeakPolarHBondContact O-CA 3.4Å; H26-F36 HydrophobicContact CB-CD1 4.11Å; H26-F36 HydrophobicContact CB-CD2 3.82Å; H26-F36 HydrophobicContact CB-CE1 3.79Å; H26-F36 HydrophobicContact CB-CE2 3.45Å; H26-F36 VanDerWaalsContact CB-CE2 3.45Å; H26-F36 HydrophobicContact CB-CG 4.15Å; H26-F36 HydrophobicContact CB-CZ 3.43Å; H26-F36 VanDerWaalsContact CB-CZ 3.43Å; H26-F36 PolarHBondContact N-O 2.88Å; H26-F36 PolarHBondContact O-N 3.35Å; H26-F36 VanDerWaalsContact O-N 3.1Å; H26-W52 AromaticContact NE2-CZ3 3.94Å; H26-P65 WeakPolarHBondContact CD2-CD 3.17Å; H26-P65 VanDerWaalsContact NE2-CD 3.3Å; H26-P65 WeakPolarHBondContact NE2-CD 3.34Å; H26-F68 HydrophobicContact CB-CD2 4.15Å; H26-L525 WeakPolarHBondContact O-CD1 3.24Å
27	V	66.1	Low	70.5	Confident	59 Å²	59	57.3 Å²	57.3	36%	0.358	29%	0.294	S	S	.	.			trans	-86.6	126.4	173.6	-167.3	0	0	0	0	108.1	D524 L525	V27-D524 HydrophobicContact CG1-CB 3.84Å; V27-D524 WeakPolarHBondContact CG1-O 3.34Å; V27-D524 WeakPolarHBondContact CG2-O 3.38Å; V27-L525 HydrophobicContact CB-CD1 4.09Å; V27-L525 HydrophobicContact CB-CG 4.2Å; V27-L525 HydrophobicContact CG1-CG 4.31Å; V27-L525 HydrophobicContact CG2-CB 3.76Å; V27-L525 HydrophobicContact CG2-CD1 3.54Å; V27-L525 HydrophobicContact CG2-CG 3.57Å
28	T	57.5	Low	70.4	Confident	32 Å²	32	55.7 Å²	55.7	20%	0.196	29%	0.293	C	S	.	.			trans	-145.6	144.5	175	-175.9	0	0	0	0	110.9	A30 E33 A35	T28-A30 PolarHBondContact OG1-N 3.43Å; T28-E33 VanDerWaalsContact CB-OE2 3.24Å; T28-E33 WeakPolarHBondContact CB-OE2 3.46Å; T28-E33 HydrophobicContact CG2-CB 3.48Å; T28-E33 VanDerWaalsContact CG2-CB 3.48Å; T28-E33 PolarHBondContact OG1-OE2 2.68Å; T28-A35 HydrophobicContact CG2-CB 4.03Å
29	M	45.6	Very low	69.8	Low	171 Å²	171	57.4 Å²	57.4	84%	0.842	31%	0.311	S	S	*	.			trans	-102.4	1.3	172.7	-60.6	-174	-175.5	0	0	111.7
30	A	54	Low	69.4	Low	43 Å²	43	58.7 Å²	58.7	36%	0.355	32%	0.315	S	S	.	.			trans	-88.1	123.6	-177.9	0	0	0	0	0	110.8	T28 R32 E33	T28-A30 PolarHBondContact OG1-N 3.43Å; A30-R32 PolarHBondContact O-N 2.91Å; A30-E33 HydrophobicContact CB-CB 4.43Å; A30-E33 HydrophobicContact CB-CG 4.18Å; A30-E33 PolarHBondContact O-N 2.91Å
31	N	64.1	Low	69.4	Low	171 Å²	171	61.8 Å²	61.8	91%	0.914	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-1	-179.8	-76	12.2	0	0	0	116
32	R	73.4	Confident	69.7	Low	199 Å²	199	59.9 Å²	59.9	75%	0.751	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	-2.4	179.8	-66.1	-171.9	177	-164.9	-1.4	112.9	A30 W63	A30-R32 PolarHBondContact O-N 2.91Å; R32-W63 PolarHBondContact O-N 2.85Å
33	E	79.8	Confident	70.2	Confident	66 Å²	66	63.4 Å²	63.4	31%	0.308	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-107.9	145.7	179.9	-66.8	175.5	-161.3	0	0	109.7	H26 T28 A30 W52 W63	H26-E33 IonicContact CE1-OE2 3.67Å; H26-E33 IonicContact NE2-OE2 2.66Å; T28-E33 VanDerWaalsContact CB-OE2 3.24Å; T28-E33 WeakPolarHBondContact CB-OE2 3.46Å; T28-E33 HydrophobicContact CG2-CB 3.48Å; T28-E33 VanDerWaalsContact CG2-CB 3.48Å; T28-E33 PolarHBondContact OG1-OE2 2.68Å; A30-E33 HydrophobicContact CB-CB 4.43Å; A30-E33 HydrophobicContact CB-CG 4.18Å; A30-E33 PolarHBondContact O-N 2.91Å; E33-W52 HydrophobicContact CG-CH2 4.45Å; E33-W52 HydrophobicContact CG-CZ3 4.04Å; E33-W63 CarbonylContact C-O 3.49Å; E33-W63 WeakPolarHBondContact CA-O 3.34Å; E33-W63 WeakPolarHBondContact CB-O 3.4Å
34	L	83.7	Confident	71.2	Confident	5 Å²	5	63 Å²	63	3%	0.026	34%	0.337	C	S	.	.			trans	-92.2	109.7	-176.5	-172.8	67.3	0	0	0	109.8	H26 F36 I42 G55 I57 E60 W63 F64	H26-L34 PolarHBondContact CD2-O 3.35Å; L34-F36 HydrophobicContact CG-CD1 4.36Å; L34-F36 VanDerWaalsContact O-CD1 3.24Å; L34-F36 WeakPolarHBondContact O-CD1 3.5Å; L34-I42 HydrophobicContact CD2-CG2 3.98Å; L34-G55 WeakPolarHBondContact CD2-O 3.48Å; L34-I57 HydrophobicContact CD2-CD1 4.03Å; L34-I57 HydrophobicContact CD2-CG1 3.98Å; L34-I57 HydrophobicContact CG-CD1 4.12Å; L34-I57 HydrophobicContact CG-CG1 4.45Å; L34-E60 HydrophobicContact CD1-CB 4.1Å; L34-E60 WeakPolarHBondContact CD1-O 3.42Å; L34-W63 PolarHBondContact N-O 2.8Å; L34-F64 HydrophobicContact CB-CB 4.35Å; L34-F64 HydrophobicContact CB-CD1 4.4Å; L34-F64 HydrophobicContact CD2-CD1 3.93Å; L34-F64 HydrophobicContact CD2-CE1 4.45Å
35	A	78.6	Confident	72.9	Confident	53 Å²	53	61.6 Å²	61.6	44%	0.438	34%	0.335	S	S	.	.			trans	-78.2	138	176	0	0	0	0	0	111.5	H26 T28	H26-A35 VanDerWaalsContact O-CA 3.23Å; H26-A35 WeakPolarHBondContact O-CA 3.4Å; T28-A35 HydrophobicContact CG2-CB 4.03Å
36	F	77.2	Confident	73.9	Confident	3 Å²	3	61 Å²	61	1%	0.013	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-157.1	160.7	177.5	51.3	-105.9	0	0	0	113.2	A22 W24 D25 H26 L34 D40 I42 I57 F64 F68 V69 L525	A22-F36 HydrophobicContact CB-CD2 3.39Å; A22-F36 HydrophobicContact CB-CE2 3.68Å; A22-F36 HydrophobicContact CB-CG 4.28Å; W24-F36 VanDerWaalsContact O-CE2 3.29Å; W24-F36 WeakPolarHBondContact O-CE2 3.44Å; D25-F36 CarbonylContact C-O 3.56Å; D25-F36 VanDerWaalsContact CA-O 3.31Å; D25-F36 WeakPolarHBondContact CA-O 3.33Å; H26-F36 HydrophobicContact CB-CD1 4.11Å; H26-F36 HydrophobicContact CB-CD2 3.82Å; H26-F36 HydrophobicContact CB-CE1 3.79Å; H26-F36 HydrophobicContact CB-CE2 3.45Å; H26-F36 VanDerWaalsContact CB-CE2 3.45Å; H26-F36 HydrophobicContact CB-CG 4.15Å; H26-F36 HydrophobicContact CB-CZ 3.43Å; H26-F36 VanDerWaalsContact CB-CZ 3.43Å; H26-F36 PolarHBondContact N-O 2.88Å; H26-F36 PolarHBondContact O-N 3.35Å; H26-F36 VanDerWaalsContact O-N 3.1Å; L34-F36 HydrophobicContact CG-CD1 4.36Å; L34-F36 VanDerWaalsContact O-CD1 3.24Å; L34-F36 WeakPolarHBondContact O-CD1 3.5Å; F36-D40 HydrophobicContact CB-CB 4.17Å; F36-I42 HydrophobicContact CD1-CD1 3.55Å; F36-I42 HydrophobicContact CD1-CG1 4.32Å; F36-I42 HydrophobicContact CD2-CD1 4.1Å; F36-I42 HydrophobicContact CE1-CD1 3.52Å; F36-I42 HydrophobicContact CE2-CD1 4.1Å; F36-I42 HydrophobicContact CG-CD1 3.83Å; F36-I42 HydrophobicContact CZ-CD1 3.82Å; F36-I57 HydrophobicContact CB-CD1 3.45Å; F36-I57 VanDerWaalsContact CB-CD1 3.45Å; F36-I57 HydrophobicContact CD1-CD1 4.13Å; F36-I57 HydrophobicContact CG-CD1 4.23Å; F36-F64 HydrophobicContact CD1-CB 4.46Å; F36-F64 HydrophobicContact CE1-CB 3.39Å; F36-F64 HydrophobicContact CE1-CD1 4.47Å; F36-F64 AromaticContact CE1-CD2 3.96Å; F36-F64 HydrophobicContact CE1-CD2 3.96Å; F36-F64 AromaticContact CE1-CG 3.69Å; F36-F64 HydrophobicContact CE1-CG 3.69Å; F36-F64 HydrophobicContact CZ-CB 3.97Å; F36-F64 HydrophobicContact CZ-CD2 4.09Å; F36-F64 HydrophobicContact CZ-CG 4.24Å; F36-F68 HydrophobicContact CE2-CB 4.15Å; F36-F68 HydrophobicContact CZ-CB 4.14Å; F36-V69 HydrophobicContact CE1-CG1 4.39Å; F36-V69 HydrophobicContact CE2-CG1 4.07Å; F36-V69 HydrophobicContact CZ-CG1 3.67Å; F36-L525 WeakPolarHBondContact O-CD1 3.26Å
37	K	65.9	Low	74.7	Confident	73 Å²	73	61.4 Å²	61.4	32%	0.317	34%	0.338	S	S	.	.			trans	-100.9	154.3	174	-62.9	-170.2	177	-139.3	0	111.7	A22 D25 G39 D40 L525	A22-K37 WeakPolarHBondContact CB-O 3.47Å; D25-K37 WeakPolarHBondContact OD1-CA 3.39Å; K37-G39 PolarHBondContact O-N 2.8Å; K37-D40 PolarHBondContact N-OD2 2.82Å; K37-D40 VanDerWaalsContact O-CB 3.25Å; K37-D40 WeakPolarHBondContact O-CB 3.35Å; K37-D40 VanDerWaalsContact O-CG 3.3Å; K37-D40 PolarHBondContact O-N 2.93Å; K37-L525 WeakPolarHBondContact CE-O 3.29Å; K37-L525 HydrophobicContact CG-CD1 4.47Å; K37-L525 HydrophobicContact CG-CD2 4.06Å; K37-L525 PolarHBondContact NZ-O 2.71Å
38	A	67.6	Low	75.1	Confident	53 Å²	53	63.3 Å²	63.3	44%	0.438	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	127.5	170	0	0	0	0	0	110.3	A22 D25	A22-A38 CarbonylContact O-C 3.44Å; A22-A38 WeakPolarHBondContact O-CA 3.24Å; D25-A38 PolarHBondContact OD1-N 3.18Å
39	G	69.7	Low	76	Confident	36 Å²	36	65.1 Å²	65.1	37%	0.371	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	-10.9	-173.1	0	0	0	0	0	115.1	A22 K37	A22-G39 PolarHBondContact O-N 2.82Å; K37-G39 PolarHBondContact O-N 2.8Å
40	D	77.9	Confident	77	Confident	60 Å²	60	63 Å²	63	32%	0.321	35%	0.349	S	S	.	.			trans	-70	140.7	175	-69.6	-16.1	0	0	0	110.7	E21 A22 F36 K37 I57	E21-D40 CarbonylContact C-O 3.55Å; E21-D40 WeakPolarHBondContact CA-O 3.45Å; A22-D40 HydrophobicContact CB-CB 4.49Å; A22-D40 PolarHBondContact N-O 2.85Å; F36-D40 HydrophobicContact CB-CB 4.17Å; K37-D40 PolarHBondContact N-OD2 2.82Å; K37-D40 VanDerWaalsContact O-CB 3.25Å; K37-D40 WeakPolarHBondContact O-CB 3.35Å; K37-D40 VanDerWaalsContact O-CG 3.3Å; K37-D40 PolarHBondContact O-N 2.93Å; D40-I57 HydrophobicContact CB-CD1 4.49Å
41	V	86.8	Confident	77.6	Confident	65 Å²	65	65.1 Å²	65.1	39%	0.394	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	124.7	178.4	-175.7	0	0	0	0	109.5	A20 W72	A20-V41 CarbonylContact O-C 3.55Å; A20-V41 WeakPolarHBondContact O-CA 3.3Å; V41-W72 HydrophobicContact CB-CZ2 4.44Å; V41-W72 HydrophobicContact CG1-CH2 4.06Å; V41-W72 HydrophobicContact CG1-CZ2 3.92Å; V41-W72 HydrophobicContact CG2-CH2 4.11Å; V41-W72 HydrophobicContact CG2-CZ2 3.6Å
42	I	90.1	Very high	78.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125	-174.6	-57.4	158.3	0	0	0	108.6	A20 A22 L34 F36 V44 I57 F64 V69	A20-I42 PolarHBondContact N-O 2.92Å; A20-I42 PolarHBondContact O-N 3.15Å; A22-I42 HydrophobicContact CB-CD1 4.24Å; L34-I42 HydrophobicContact CD2-CG2 3.98Å; F36-I42 HydrophobicContact CD1-CD1 3.55Å; F36-I42 HydrophobicContact CD1-CG1 4.32Å; F36-I42 HydrophobicContact CD2-CD1 4.1Å; F36-I42 HydrophobicContact CE1-CD1 3.52Å; F36-I42 HydrophobicContact CE2-CD1 4.1Å; F36-I42 HydrophobicContact CG-CD1 3.83Å; F36-I42 HydrophobicContact CZ-CD1 3.82Å; I42-V44 PolarHBondContact O-N 3.48Å; I42-I57 HydrophobicContact CB-CG1 4.27Å; I42-I57 HydrophobicContact CD1-CD1 4.48Å; I42-I57 HydrophobicContact CG1-CD1 3.7Å; I42-I57 HydrophobicContact CG1-CG1 3.67Å; I42-I57 HydrophobicContact CG2-CG1 4.4Å; I42-F64 HydrophobicContact CG2-CD1 4.28Å; I42-F64 HydrophobicContact CG2-CE1 3.62Å; I42-F64 HydrophobicContact CG2-CZ 3.82Å; I42-V69 HydrophobicContact CD1-CG1 3.46Å; I42-V69 VanDerWaalsContact CD1-CG1 3.46Å
43	K	89.3	Confident	79.3	Confident	75 Å²	75	53.7 Å²	53.7	33%	0.326	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	104.6	172.2	-169.8	168.3	-174.8	169.6	0	108.2	I17 L45 G55 Q56	I17-K43 HydrophobicContact CG2-CB 4.47Å; I17-K43 HydrophobicContact CG2-CD 3.69Å; I17-K43 HydrophobicContact CG2-CG 3.1Å; K43-L45 HydrophobicContact CG-CD2 4.4Å; K43-L45 PolarHBondContact O-N 3.23Å; K43-G55 CarbonylContact O-C 3.59Å; K43-G55 WeakPolarHBondContact O-CA 3.24Å; K43-Q56 HydrophobicContact CB-CB 4.35Å; K43-Q56 PolarHBondContact N-O 2.94Å; K43-Q56 PolarHBondContact O-N 3.42Å
44	V	89.8	Confident	79.7	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	116.9	-177.4	-170.4	0	0	0	0	109.2	V18 A20 I42 A47 W53 F64 L71	V18-V44 HydrophobicContact CG2-CB 3.63Å; V18-V44 HydrophobicContact CG2-CG1 4.28Å; V18-V44 HydrophobicContact CG2-CG2 4.06Å; V18-V44 PolarHBondContact N-O 2.85Å; V18-V44 WeakPolarHBondContact O-CB 3.08Å; V18-V44 WeakPolarHBondContact O-CG2 3.34Å; V18-V44 PolarHBondContact O-N 3.43Å; A20-V44 HydrophobicContact CB-CG2 3.77Å; I42-V44 PolarHBondContact O-N 3.48Å; V44-A47 HydrophobicContact CG1-CB 4.24Å; V44-W53 HydrophobicContact CG1-CB 4.09Å; V44-W53 HydrophobicContact CG1-CD2 4.3Å; V44-W53 HydrophobicContact CG1-CE3 3.97Å; V44-W53 HydrophobicContact CG1-CG 4.4Å; V44-W53 HydrophobicContact CG2-CE3 4.3Å; V44-F64 HydrophobicContact CG1-CZ 4.3Å; V44-F64 HydrophobicContact CG2-CZ 3.96Å; V44-L71 HydrophobicContact CG2-CD2 4.25Å
45	L	86.4	Confident	80	Confident	47 Å²	47	53.2 Å²	53.2	25%	0.246	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-35.5	-175.8	-60.7	178.5	0	0	0	112.1	I17 K43 W54 Q56 E61	I17-L45 HydrophobicContact CD1-CD2 4.37Å; I17-L45 HydrophobicContact CG1-CD2 4.29Å; I17-L45 HydrophobicContact CG2-CD2 4.19Å; K43-L45 HydrophobicContact CG-CD2 4.4Å; K43-L45 PolarHBondContact O-N 3.23Å; L45-W54 PolarHBondContact N-O 2.92Å; L45-Q56 HydrophobicContact CD1-CB 4.05Å; L45-Q56 HydrophobicContact CG-CB 4.42Å; L45-E61 HydrophobicContact CD1-CG 4.2Å
46	D	82.4	Confident	80.5	Confident	52 Å²	52	53 Å²	53	28%	0.278	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	120.6	176	-175.5	-0.7	0	0	0	111	S48 W53 W54	D46-S48 WeakPolarHBondContact OD1-CA 3.23Å; D46-S48 WeakPolarHBondContact OD1-CB 3.14Å; D46-S48 PolarHBondContact OD1-N 2.75Å; D46-S48 PolarHBondContact OD1-OG 2.86Å; D46-S48 PolarHBondContact OD2-OG 3.06Å; D46-W53 CarbonylContact O-C 3.29Å; D46-W53 VanDerWaalsContact O-CA 3.27Å; D46-W53 WeakPolarHBondContact O-CA 3.36Å; D46-W53 WeakPolarHBondContact O-CB 3.46Å; D46-W54 HydrophobicContact CB-CB 3.88Å; D46-W54 PolarHBondContact N-O 2.8Å; D46-W54 PolarHBondContact O-N 2.83Å
47	A	82.9	Confident	81	Confident	24 Å²	24	54.1 Å²	54.1	20%	0.198	29%	0.289	C	S	.	.			trans	-116.5	24.9	175.6	0	0	0	0	0	113	I12 V44 N49 W53	I12-A47 HydrophobicContact CD1-CB 4.02Å; I12-A47 HydrophobicContact CG2-CB 4.07Å; V44-A47 HydrophobicContact CG1-CB 4.24Å; A47-N49 VanDerWaalsContact C-N 3.27Å; A47-N49 PolarHBondContact O-N 2.67Å; A47-W53 HydrophobicContact CB-CD2 4.03Å; A47-W53 HydrophobicContact CB-CG 4.07Å; A47-W53 HydrophobicContact CB-CZ2 4.45Å
48	S	75.5	Confident	81.8	Confident	99 Å²	99	57.7 Å²	57.7	69%	0.692	31%	0.312	S	S	*	.			trans	-66.3	-25.7	-177.3	61.6	0	0	0	0	113.8	D46	D46-S48 WeakPolarHBondContact OD1-CA 3.23Å; D46-S48 WeakPolarHBondContact OD1-CB 3.14Å; D46-S48 PolarHBondContact OD1-N 2.75Å; D46-S48 PolarHBondContact OD1-OG 2.86Å; D46-S48 PolarHBondContact OD2-OG 3.06Å
49	N	75.9	Confident	82.3	Confident	71 Å²	71	62.6 Å²	62.6	38%	0.38	33%	0.331	S	S	.	.	S	Bend	trans	-96.9	142.8	174.5	178.2	-26.3	0	0	0	110.7	A47 D51 W52 W53	A47-N49 VanDerWaalsContact C-N 3.27Å; A47-N49 PolarHBondContact O-N 2.67Å; N49-D51 PolarHBondContact OD1-N 2.91Å; N49-W52 VanDerWaalsContact CB-O 3.28Å; N49-W52 WeakPolarHBondContact CB-O 3.31Å; N49-W52 PolarHBondContact OD1-N 2.86Å; N49-W53 PolarHBondContact O-NE1 2.9Å
50	K	66.1	Low	82.8	Confident	126 Å²	126	67.9 Å²	67.9	55%	0.548	35%	0.346	S	S	.	.	S	Bend	trans	-70.9	-29.7	-174.9	65.5	174.2	-168.9	176.2	0	114.1	I4	I4-K50 HydrophobicContact CD1-CB 3.58Å
51	D	67.4	Low	83.3	Confident	87 Å²	87	69.7 Å²	69.7	47%	0.465	35%	0.352	S	S	.	.	S	Bend	trans	-111.9	-26.9	-170.7	-61.6	-40.6	0	0	0	112.2	N49 P65 A66	N49-D51 PolarHBondContact OD1-N 2.91Å; D51-P65 CarbonylContact O-C 3.52Å; D51-P65 VanDerWaalsContact O-CA 3.28Å; D51-P65 WeakPolarHBondContact O-CA 3.39Å; D51-A66 PolarHBondContact O-N 3.09Å
52	W	81.8	Confident	83.3	Confident	94 Å²	94	66.6 Å²	66.6	36%	0.356	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	124.1	-175.1	-73.9	85.7	0	0	0	111	H26 E33 N49 W63 F64	H26-W52 AromaticContact NE2-CZ3 3.94Å; E33-W52 HydrophobicContact CG-CH2 4.45Å; E33-W52 HydrophobicContact CG-CZ3 4.04Å; N49-W52 VanDerWaalsContact CB-O 3.28Å; N49-W52 WeakPolarHBondContact CB-O 3.31Å; N49-W52 PolarHBondContact OD1-N 2.86Å; W52-W63 HydrophobicContact CB-CE3 4.23Å; W52-W63 HydrophobicContact CE3-CB 3.97Å; W52-W63 HydrophobicContact CZ3-CB 4.41Å; W52-F64 CarbonylContact C-O 3.53Å; W52-F64 WeakPolarHBondContact CA-O 3.45Å; W52-F64 VanDerWaalsContact CE3-C 3.46Å
53	W	90.4	Very high	83.1	Confident	36 Å²	36	70.9 Å²	70.9	14%	0.136	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	151.8	179.5	-64	-12.7	0	0	0	110.4	V44 D46 A47 N49 W63 F64 A66 V69 L71	V44-W53 HydrophobicContact CG1-CB 4.09Å; V44-W53 HydrophobicContact CG1-CD2 4.3Å; V44-W53 HydrophobicContact CG1-CE3 3.97Å; V44-W53 HydrophobicContact CG1-CG 4.4Å; V44-W53 HydrophobicContact CG2-CE3 4.3Å; D46-W53 CarbonylContact O-C 3.29Å; D46-W53 VanDerWaalsContact O-CA 3.27Å; D46-W53 WeakPolarHBondContact O-CA 3.36Å; D46-W53 WeakPolarHBondContact O-CB 3.46Å; A47-W53 HydrophobicContact CB-CD2 4.03Å; A47-W53 HydrophobicContact CB-CG 4.07Å; A47-W53 HydrophobicContact CB-CZ2 4.45Å; N49-W53 PolarHBondContact O-NE1 2.9Å; W53-W63 CarbonylContact O-C 3.52Å; W53-W63 VanDerWaalsContact O-CA 3.31Å; W53-W63 WeakPolarHBondContact O-CA 3.18Å; W53-F64 HydrophobicContact CB-CE1 4.09Å; W53-F64 HydrophobicContact CB-CE2 3.95Å; W53-F64 HydrophobicContact CB-CZ 3.67Å; W53-F64 HydrophobicContact CE3-CE2 4.01Å; W53-F64 HydrophobicContact CE3-CZ 4.17Å; W53-F64 PolarHBondContact N-O 3.26Å; W53-F64 WeakPolarHBondContact O-CD1 3.27Å; W53-F64 PolarHBondContact O-N 3.12Å; W53-A66 HydrophobicContact CD2-CB 3.55Å; W53-A66 HydrophobicContact CE3-CB 4.02Å; W53-A66 HydrophobicContact CG-CB 4Å; W53-A66 HydrophobicContact CH2-CB 4.08Å; W53-A66 HydrophobicContact CZ2-CB 3.62Å; W53-A66 HydrophobicContact CZ3-CB 4.26Å; W53-V69 HydrophobicContact CE3-CG2 4.08Å; W53-V69 HydrophobicContact CZ3-CG2 3.88Å; W53-L71 HydrophobicContact CH2-CD1 3.79Å; W53-L71 HydrophobicContact CH2-CG 4.11Å; W53-L71 HydrophobicContact CZ3-CD1 4.14Å; W53-L71 HydrophobicContact CZ3-CD2 4.03Å; W53-L71 HydrophobicContact CZ3-CG 3.97Å
54	W	88.4	Confident	82.7	Confident	61 Å²	61	67.3 Å²	67.3	23%	0.231	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	135	169.2	-168.4	-102.7	0	0	0	108.3	L45 D46 E61 G62 W63	L45-W54 PolarHBondContact N-O 2.92Å; D46-W54 HydrophobicContact CB-CB 3.88Å; D46-W54 PolarHBondContact N-O 2.8Å; D46-W54 PolarHBondContact O-N 2.83Å; W54-E61 HydrophobicContact CZ2-CB 3.77Å; W54-E61 PolarHBondContact NE1-OE2 2.92Å; W54-G62 VanDerWaalsContact CZ3-CA 3.4Å; W54-W63 HydrophobicContact CB-CD2 4.49Å; W54-W63 HydrophobicContact CB-CE3 4.14Å; W54-W63 HydrophobicContact CB-CH2 4.07Å; W54-W63 HydrophobicContact CB-CZ2 4.43Å; W54-W63 HydrophobicContact CB-CZ3 3.93Å; W54-W63 HydrophobicContact CE3-CB 4.16Å; W54-W63 AromaticContact CE3-CD1 3.38Å; W54-W63 AromaticContact CE3-CD2 3.53Å; W54-W63 HydrophobicContact CE3-CD2 3.53Å; W54-W63 AromaticContact CE3-CE2 3.41Å; W54-W63 VanDerWaalsContact CE3-CE2 3.41Å; W54-W63 HydrophobicContact CE3-CE3 4.3Å; W54-W63 AromaticContact CE3-CG 3.46Å; W54-W63 HydrophobicContact CE3-CG 3.46Å; W54-W63 VanDerWaalsContact CE3-CG 3.46Å; W54-W63 HydrophobicContact CE3-CZ2 4.07Å; W54-W63 AromaticContact CE3-NE1 3.3Å; W54-W63 VanDerWaalsContact CE3-NE1 3.3Å; W54-W63 HydrophobicContact CZ3-CB 4.35Å; W54-W63 AromaticContact CZ3-CD1 3.21Å; W54-W63 HydrophobicContact CZ3-CD2 4.2Å; W54-W63 AromaticContact CZ3-CE2 3.96Å; W54-W63 AromaticContact CZ3-CG 3.72Å; W54-W63 HydrophobicContact CZ3-CG 3.72Å; W54-W63 VanDerWaalsContact CZ3-N 3.25Å; W54-W63 AromaticContact CZ3-NE1 3.32Å; W54-W63 VanDerWaalsContact CZ3-NE1 3.32Å
55	G	89.9	Confident	82.2	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	-176.6	174.3	0	0	0	0	0	112.7	L34 K43 E61 G62	L34-G55 WeakPolarHBondContact CD2-O 3.48Å; K43-G55 CarbonylContact O-C 3.59Å; K43-G55 WeakPolarHBondContact O-CA 3.24Å; G55-E61 WeakPolarHBondContact O-CA 3.11Å; G55-G62 PolarHBondContact N-O 2.74Å; G55-G62 VanDerWaalsContact N-O 3.1Å; G55-G62 PolarHBondContact O-N 2.68Å
56	Q	89.8	Confident	81.8	Confident	48 Å²	48	66.1 Å²	66.1	22%	0.224	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	137.1	-166.5	-174.6	176.8	39.8	0	0	110.6	K43 L45 D58 E60 E61	K43-Q56 HydrophobicContact CB-CB 4.35Å; K43-Q56 PolarHBondContact N-O 2.94Å; K43-Q56 PolarHBondContact O-N 3.42Å; L45-Q56 HydrophobicContact CD1-CB 4.05Å; L45-Q56 HydrophobicContact CG-CB 4.42Å; Q56-D58 WeakPolarHBondContact CG-O 3.39Å; Q56-D58 PolarHBondContact NE2-O 3.44Å; Q56-E60 VanDerWaalsContact CA-O 3.29Å; Q56-E60 WeakPolarHBondContact CA-O 2.85Å; Q56-E61 HydrophobicContact CB-CG 3.96Å; Q56-E61 HydrophobicContact CG-CG 3.9Å
57	I	86.8	Confident	81.4	Confident	28 Å²	28	66.5 Å²	66.5	14%	0.144	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.1	165.5	-60.5	167	0	0	0	106.3	L34 F36 D40 I42 D59 E60	L34-I57 HydrophobicContact CD2-CD1 4.03Å; L34-I57 HydrophobicContact CD2-CG1 3.98Å; L34-I57 HydrophobicContact CG-CD1 4.12Å; L34-I57 HydrophobicContact CG-CG1 4.45Å; F36-I57 HydrophobicContact CB-CD1 3.45Å; F36-I57 VanDerWaalsContact CB-CD1 3.45Å; F36-I57 HydrophobicContact CD1-CD1 4.13Å; F36-I57 HydrophobicContact CG-CD1 4.23Å; D40-I57 HydrophobicContact CB-CD1 4.49Å; I42-I57 HydrophobicContact CB-CG1 4.27Å; I42-I57 HydrophobicContact CD1-CD1 4.48Å; I42-I57 HydrophobicContact CG1-CD1 3.7Å; I42-I57 HydrophobicContact CG1-CG1 3.67Å; I42-I57 HydrophobicContact CG2-CG1 4.4Å; I57-D59 PolarHBondContact O-N 3.34Å; I57-E60 PolarHBondContact N-O 3.28Å; I57-E60 PolarHBondContact O-N 3.01Å
58	D	81.9	Confident	80.7	Confident	148 Å²	148	67.2 Å²	67.2	79%	0.791	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	-112.8	-172.6	-59	-36.4	0	0	0	111.2	Q56	Q56-D58 WeakPolarHBondContact CG-O 3.39Å; Q56-D58 PolarHBondContact NE2-O 3.44Å
59	D	79	Confident	80.9	Confident	155 Å²	155	63 Å²	63	83%	0.829	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-1.2	179.3	-65.8	-42.8	0	0	0	113.9	I57	I57-D59 PolarHBondContact O-N 3.34Å
60	E	79.3	Confident	81	Confident	147 Å²	147	60.4 Å²	60.4	69%	0.687	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.4	-176.6	-65.1	-105.4	149.4	0	0	110.7	L34 Q56 I57	L34-E60 HydrophobicContact CD1-CB 4.1Å; L34-E60 WeakPolarHBondContact CD1-O 3.42Å; Q56-E60 VanDerWaalsContact CA-O 3.29Å; Q56-E60 WeakPolarHBondContact CA-O 2.85Å; I57-E60 PolarHBondContact N-O 3.28Å; I57-E60 PolarHBondContact O-N 3.01Å
61	E	89.8	Confident	81.8	Confident	98 Å²	98	57.1 Å²	57.1	46%	0.458	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	142.1	176.8	-69.2	-173.8	-165.3	0	0	111.4	L45 W54 G55 Q56	L45-E61 HydrophobicContact CD1-CG 4.2Å; W54-E61 HydrophobicContact CZ2-CB 3.77Å; W54-E61 PolarHBondContact NE1-OE2 2.92Å; G55-E61 WeakPolarHBondContact O-CA 3.11Å; Q56-E61 HydrophobicContact CB-CG 3.96Å; Q56-E61 HydrophobicContact CG-CG 3.9Å
62	G	86.4	Confident	82.3	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	169.4	179.4	0	0	0	0	0	113.9	W54 G55	W54-G62 VanDerWaalsContact CZ3-CA 3.4Å; G55-G62 PolarHBondContact N-O 2.74Å; G55-G62 VanDerWaalsContact N-O 3.1Å; G55-G62 PolarHBondContact O-N 2.68Å
63	W	85.7	Confident	81.5	Confident	90 Å²	90	51.9 Å²	51.9	34%	0.341	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	138.6	171.4	-72	105.4	0	0	0	110.1	R32 E33 L34 W52 W53 W54	R32-W63 PolarHBondContact O-N 2.85Å; E33-W63 CarbonylContact C-O 3.49Å; E33-W63 WeakPolarHBondContact CA-O 3.34Å; E33-W63 WeakPolarHBondContact CB-O 3.4Å; L34-W63 PolarHBondContact N-O 2.8Å; W52-W63 HydrophobicContact CB-CE3 4.23Å; W52-W63 HydrophobicContact CE3-CB 3.97Å; W52-W63 HydrophobicContact CZ3-CB 4.41Å; W53-W63 CarbonylContact O-C 3.52Å; W53-W63 VanDerWaalsContact O-CA 3.31Å; W53-W63 WeakPolarHBondContact O-CA 3.18Å; W54-W63 HydrophobicContact CB-CD2 4.49Å; W54-W63 HydrophobicContact CB-CE3 4.14Å; W54-W63 HydrophobicContact CB-CH2 4.07Å; W54-W63 HydrophobicContact CB-CZ2 4.43Å; W54-W63 HydrophobicContact CB-CZ3 3.93Å; W54-W63 HydrophobicContact CE3-CB 4.16Å; W54-W63 AromaticContact CE3-CD1 3.38Å; W54-W63 AromaticContact CE3-CD2 3.53Å; W54-W63 HydrophobicContact CE3-CD2 3.53Å; W54-W63 AromaticContact CE3-CE2 3.41Å; W54-W63 VanDerWaalsContact CE3-CE2 3.41Å; W54-W63 HydrophobicContact CE3-CE3 4.3Å; W54-W63 AromaticContact CE3-CG 3.46Å; W54-W63 HydrophobicContact CE3-CG 3.46Å; W54-W63 VanDerWaalsContact CE3-CG 3.46Å; W54-W63 HydrophobicContact CE3-CZ2 4.07Å; W54-W63 AromaticContact CE3-NE1 3.3Å; W54-W63 VanDerWaalsContact CE3-NE1 3.3Å; W54-W63 HydrophobicContact CZ3-CB 4.35Å; W54-W63 AromaticContact CZ3-CD1 3.21Å; W54-W63 HydrophobicContact CZ3-CD2 4.2Å; W54-W63 AromaticContact CZ3-CE2 3.96Å; W54-W63 AromaticContact CZ3-CG 3.72Å; W54-W63 HydrophobicContact CZ3-CG 3.72Å; W54-W63 VanDerWaalsContact CZ3-N 3.25Å; W54-W63 AromaticContact CZ3-NE1 3.32Å; W54-W63 VanDerWaalsContact CZ3-NE1 3.32Å
64	F	81.6	Confident	80.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	155.1	172.5	65.1	-89.8	0	0	0	112.1	L34 F36 I42 V44 W52 W53 A66 V69	L34-F64 HydrophobicContact CB-CB 4.35Å; L34-F64 HydrophobicContact CB-CD1 4.4Å; L34-F64 HydrophobicContact CD2-CD1 3.93Å; L34-F64 HydrophobicContact CD2-CE1 4.45Å; F36-F64 HydrophobicContact CD1-CB 4.46Å; F36-F64 HydrophobicContact CE1-CB 3.39Å; F36-F64 HydrophobicContact CE1-CD1 4.47Å; F36-F64 AromaticContact CE1-CD2 3.96Å; F36-F64 HydrophobicContact CE1-CD2 3.96Å; F36-F64 AromaticContact CE1-CG 3.69Å; F36-F64 HydrophobicContact CE1-CG 3.69Å; F36-F64 HydrophobicContact CZ-CB 3.97Å; F36-F64 HydrophobicContact CZ-CD2 4.09Å; F36-F64 HydrophobicContact CZ-CG 4.24Å; I42-F64 HydrophobicContact CG2-CD1 4.28Å; I42-F64 HydrophobicContact CG2-CE1 3.62Å; I42-F64 HydrophobicContact CG2-CZ 3.82Å; V44-F64 HydrophobicContact CG1-CZ 4.3Å; V44-F64 HydrophobicContact CG2-CZ 3.96Å; W52-F64 CarbonylContact C-O 3.53Å; W52-F64 WeakPolarHBondContact CA-O 3.45Å; W52-F64 VanDerWaalsContact CE3-C 3.46Å; W53-F64 HydrophobicContact CB-CE1 4.09Å; W53-F64 HydrophobicContact CB-CE2 3.95Å; W53-F64 HydrophobicContact CB-CZ 3.67Å; W53-F64 HydrophobicContact CE3-CE2 4.01Å; W53-F64 HydrophobicContact CE3-CZ 4.17Å; W53-F64 PolarHBondContact N-O 3.26Å; W53-F64 WeakPolarHBondContact O-CD1 3.27Å; W53-F64 PolarHBondContact O-N 3.12Å; F64-A66 PolarHBondContact O-N 3.11Å; F64-V69 HydrophobicContact CD2-CG1 3.76Å; F64-V69 HydrophobicContact CD2-CG2 4.37Å; F64-V69 HydrophobicContact CE2-CB 4.3Å; F64-V69 HydrophobicContact CE2-CG1 3.66Å; F64-V69 HydrophobicContact CE2-CG2 3.64Å
65	P	77.8	Confident	79.8	Confident	11 Å²	11	49.8 Å²	49.8	7%	0.071	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	125.9	-179.1	25.8	-31.1	0	0	0	111.5	H26 D51 S67 F68	H26-P65 WeakPolarHBondContact CD2-CD 3.17Å; H26-P65 VanDerWaalsContact NE2-CD 3.3Å; H26-P65 WeakPolarHBondContact NE2-CD 3.34Å; D51-P65 CarbonylContact O-C 3.52Å; D51-P65 VanDerWaalsContact O-CA 3.28Å; D51-P65 WeakPolarHBondContact O-CA 3.39Å; P65-S67 PolarHBondContact O-N 3.2Å; P65-S67 VanDerWaalsContact O-N 3.11Å; P65-F68 HydrophobicContact CB-CD1 3.81Å; P65-F68 HydrophobicContact CB-CE1 4.31Å; P65-F68 HydrophobicContact CB-CG 4.35Å; P65-F68 HydrophobicContact CG-CB 3.97Å; P65-F68 HydrophobicContact CG-CD1 3.47Å; P65-F68 VanDerWaalsContact CG-CD1 3.47Å; P65-F68 HydrophobicContact CG-CD2 4.17Å; P65-F68 HydrophobicContact CG-CE1 3.98Å; P65-F68 HydrophobicContact CG-CG 3.6Å; P65-F68 PolarHBondContact O-N 2.94Å
66	A	78.1	Confident	78	Confident	14 Å²	14	55.9 Å²	55.9	12%	0.116	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-58.3	-27.8	179.3	0	0	0	0	0	113	D51 W53 F64 F68	D51-A66 PolarHBondContact O-N 3.09Å; W53-A66 HydrophobicContact CD2-CB 3.55Å; W53-A66 HydrophobicContact CE3-CB 4.02Å; W53-A66 HydrophobicContact CG-CB 4Å; W53-A66 HydrophobicContact CH2-CB 4.08Å; W53-A66 HydrophobicContact CZ2-CB 3.62Å; W53-A66 HydrophobicContact CZ3-CB 4.26Å; F64-A66 PolarHBondContact O-N 3.11Å; A66-F68 PolarHBondContact O-N 3.46Å
67	S	74.5	Confident	75.8	Confident	59 Å²	59	60.2 Å²	60.2	41%	0.413	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-73.2	-12.5	179.5	56.2	0	0	0	0	114.1	P65	P65-S67 PolarHBondContact O-N 3.2Å; P65-S67 VanDerWaalsContact O-N 3.11Å
68	F	69.1	Low	73.4	Confident	40 Å²	40	67 Å²	67	18%	0.175	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-94	-5.9	-178.5	-78.5	50.5	0	0	0	112.5	V23 W24 D25 H26 F36 P65 A66 W522	V23-F68 PolarHBondContact N-O 3.03Å; W24-F68 HydrophobicContact CB-CB 4.4Å; W24-F68 HydrophobicContact CB-CD2 3.69Å; W24-F68 HydrophobicContact CB-CE2 4.21Å; W24-F68 HydrophobicContact CB-CG 4.18Å; W24-F68 PolarHBondContact N-O 3.01Å; D25-F68 WeakPolarHBondContact O-CD2 3.39Å; D25-F68 WeakPolarHBondContact O-CE2 3.29Å; H26-F68 HydrophobicContact CB-CD2 4.15Å; F36-F68 HydrophobicContact CE2-CB 4.15Å; F36-F68 HydrophobicContact CZ-CB 4.14Å; P65-F68 HydrophobicContact CB-CD1 3.81Å; P65-F68 HydrophobicContact CB-CE1 4.31Å; P65-F68 HydrophobicContact CB-CG 4.35Å; P65-F68 HydrophobicContact CG-CB 3.97Å; P65-F68 HydrophobicContact CG-CD1 3.47Å; P65-F68 VanDerWaalsContact CG-CD1 3.47Å; P65-F68 HydrophobicContact CG-CD2 4.17Å; P65-F68 HydrophobicContact CG-CE1 3.98Å; P65-F68 HydrophobicContact CG-CG 3.6Å; P65-F68 PolarHBondContact O-N 2.94Å; A66-F68 PolarHBondContact O-N 3.46Å; F68-W522 HydrophobicContact CE2-CZ3 4.5Å; F68-W522 HydrophobicContact CZ-CH2 4.36Å; F68-W522 HydrophobicContact CZ-CZ3 4.1Å
69	V	78.4	Confident	71.1	Confident	9 Å²	9	66 Å²	66	6%	0.055	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	159.6	-176.2	-52	0	0	0	0	111.1	A20 E21 F36 I42 W53 F64	A20-V69 HydrophobicContact CB-CB 4.03Å; A20-V69 HydrophobicContact CB-CG2 3.97Å; E21-V69 CarbonylContact O-C 3.58Å; E21-V69 WeakPolarHBondContact O-CA 2.96Å; F36-V69 HydrophobicContact CE1-CG1 4.39Å; F36-V69 HydrophobicContact CE2-CG1 4.07Å; F36-V69 HydrophobicContact CZ-CG1 3.67Å; I42-V69 HydrophobicContact CD1-CG1 3.46Å; I42-V69 VanDerWaalsContact CD1-CG1 3.46Å; W53-V69 HydrophobicContact CE3-CG2 4.08Å; W53-V69 HydrophobicContact CZ3-CG2 3.88Å; F64-V69 HydrophobicContact CD2-CG1 3.76Å; F64-V69 HydrophobicContact CD2-CG2 4.37Å; F64-V69 HydrophobicContact CE2-CB 4.3Å; F64-V69 HydrophobicContact CE2-CG1 3.66Å; F64-V69 HydrophobicContact CE2-CG2 3.64Å
70	R	79.3	Confident	69	Low	17 Å²	17	67.3 Å²	67.3	6%	0.064	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.4	171.2	179.6	-167	170.5	-143.8	1.1	108.3	A20 E21 V23 E117 L258	A20-R70 CarbonylContact C-O 3.46Å; A20-R70 VanDerWaalsContact CA-O 3.23Å; A20-R70 WeakPolarHBondContact CA-O 3.33Å; E21-R70 PolarHBondContact N-O 3.34Å; E21-R70 PolarHBondContact O-N 2.81Å; V23-R70 HydrophobicContact CG2-CB 3.74Å; R70-E117 IonicContact CZ-OE2 3.26Å; R70-E117 IonicContact NE-OE1 3.79Å; R70-E117 IonicContact NE-OE2 3.32Å; R70-E117 IonicContact NH2-OE1 3.29Å; R70-E117 IonicContact NH2-OE2 2.76Å; R70-E117 PolarHBondContact NH2-OE2 3.32Å; R70-L258 HydrophobicContact CB-CD1 4.27Å; R70-L258 PolarHBondContact NH1-O 3.39Å
71	L	82.3	Confident	66.9	Low	58 Å²	58	69.5 Å²	69.5	30%	0.304	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	135.8	170.6	-70	166	0	0	0	110.7	I12 V18 A20 V44 W53	I12-L71 HydrophobicContact CD1-CD1 3.95Å; V18-L71 HydrophobicContact CB-CD2 4.23Å; V18-L71 HydrophobicContact CG2-CD2 3.47Å; V18-L71 VanDerWaalsContact CG2-CD2 3.47Å; A20-L71 HydrophobicContact CB-CD2 4.1Å; V44-L71 HydrophobicContact CG2-CD2 4.25Å; W53-L71 HydrophobicContact CH2-CD1 3.79Å; W53-L71 HydrophobicContact CH2-CG 4.11Å; W53-L71 HydrophobicContact CZ3-CD1 4.14Å; W53-L71 HydrophobicContact CZ3-CD2 4.03Å; W53-L71 HydrophobicContact CZ3-CG 3.97Å
72	W	77.4	Confident	64	Low	42 Å²	42	67.5 Å²	67.5	16%	0.159	35%	0.351	C	S	.	.			trans	-66.1	135.6	169.5	-73.3	4.9	0	0	0	109.6	S19 V41 N74	S19-W72 PolarHBondContact O-N 3.02Å; V41-W72 HydrophobicContact CB-CZ2 4.44Å; V41-W72 HydrophobicContact CG1-CH2 4.06Å; V41-W72 HydrophobicContact CG1-CZ2 3.92Å; V41-W72 HydrophobicContact CG2-CH2 4.11Å; V41-W72 HydrophobicContact CG2-CZ2 3.6Å; W72-N74 PolarHBondContact O-N 3.45Å
73	V	64.6	Low	61.5	Low	29 Å²	29	73.2 Å²	73.2	18%	0.176	39%	0.388	C	S	.	.	S	Bend	trans	-65.3	-33.2	176.7	-175.5	0	0	0	0	110.4	N113 E117	V73-N113 HydrophobicContact CG1-CB 3.9Å; V73-E117 HydrophobicContact CG2-CB 4.16Å; V73-E117 HydrophobicContact CG2-CG 3.98Å; V73-E117 WeakPolarHBondContact CG2-OE2 3.49Å
74	N	70.3	Confident	59	Low	5 Å²	5	74.1 Å²	74.1	3%	0.027	41%	0.408	C	S	.	.	S	Bend	trans	-119.9	101.8	-169.8	-71.8	-21.9	0	0	0	107.5	W72 M110 Y266	W72-N74 PolarHBondContact O-N 3.45Å; N74-M110 HydrophobicContact CB-CE 3.28Å; N74-M110 HydrophobicContact CB-SD 4.03Å; N74-M110 WeakPolarHBondContact ND2-CB 3.38Å; N74-M110 PolarHBondContact OD1-SD 3.49Å; N74-Y266 HydrophobicContact CB-CE2 4.22Å; N74-Y266 WeakPolarHBondContact CB-OH 3.35Å; N74-Y266 WeakPolarHBondContact ND2-CE2 3.44Å
75	Q	72.9	Confident	56.5	Low	48 Å²	48	81.7 Å²	81.7	22%	0.224	45%	0.448	C	S	.	.			trans	-78	125.4	174.8	-64.3	178.5	20	0	0	107.6	V18 D77	V18-Q75 VanDerWaalsContact CB-NE2 3.26Å; Q75-D77 PolarHBondContact O-N 3.25Å; Q75-D77 VanDerWaalsContact O-N 3.14Å
76	E	53.8	Low	54.7	Low	127 Å²	127	87.3 Å²	87.3	59%	0.593	48%	0.482	S	S	*	.			trans	-73.6	103	170.9	-68.4	178.9	-177.5	0	0	106.6	E78 K265	E76-E78 PolarHBondContact O-N 2.94Å; E76-K265 IonicContact OE1-NZ 3.75Å; E76-K265 PolarHBondContact OE1-NZ 3.47Å
77	D	42.8	Very low	52.6	Low	139 Å²	139	95.3 Å²	95.3	74%	0.743	52%	0.517	S	S	*	.			trans	-62.1	117.9	166.4	-72.4	-35.9	0	0	0	106.9	Q75 V79	Q75-D77 PolarHBondContact O-N 3.25Å; Q75-D77 VanDerWaalsContact O-N 3.14Å; D77-V79 VanDerWaalsContact C-N 3.27Å; D77-V79 PolarHBondContact O-N 3.18Å
78	E	36.6	Very low	50.5	Low	170 Å²	170	100.1 Å²	100.1	79%	0.794	54%	0.538	S	S	*	.			trans	-57.7	99.6	161.1	-78.2	178.4	-166.8	0	0	106.4	E76 E80	E76-E78 PolarHBondContact O-N 2.94Å; E78-E80 VanDerWaalsContact C-N 3.33Å; E78-E80 PolarHBondContact O-N 3.4Å
79	V	34.4	Very low	48.9	Very low	128 Å²	128	101.9 Å²	101.9	78%	0.776	57%	0.568	S	S	*	*			trans	-66.1	101.6	171	-169.5	0	0	0	0	105.4	D77 E81	D77-V79 VanDerWaalsContact C-N 3.27Å; D77-V79 PolarHBondContact O-N 3.18Å; V79-E81 PolarHBondContact O-N 2.95Å
80	E	33.7	Very low	46.8	Very low	182 Å²	182	110.5 Å²	110.5	85%	0.85	61%	0.607	S	S	*	*			trans	-51.9	108.4	164.4	-83.5	-170	146.1	0	0	107.2	E78 G82	E78-E80 VanDerWaalsContact C-N 3.33Å; E78-E80 PolarHBondContact O-N 3.4Å; E80-G82 PolarHBondContact O-N 3.18Å
81	E	35.4	Very low	44.7	Very low	193 Å²	193	117.5 Å²	117.5	90%	0.902	65%	0.645	S	S	*	*			trans	-64.4	87.9	160.4	-77.5	-166.7	157.9	0	0	106.9	V79	V79-E81 PolarHBondContact O-N 2.95Å
82	G	29.6	Very low	42.3	Very low	57 Å²	57	121.8 Å²	121.8	59%	0.588	67%	0.668	S	S	*	*			trans	-55.9	142	169.8	0	0	0	0	0	109.8	E80 S84	E80-G82 PolarHBondContact O-N 3.18Å; G82-S84 PolarHBondContact O-N 3.24Å
83	P	33.9	Very low	40.3	Very low	120 Å²	120	125.5 Å²	125.5	78%	0.779	70%	0.698	S	S	*	*			trans	-63.2	126.9	-172.3	26.8	-32.3	0	0	0	109.4	D85	P83-D85 PolarHBondContact O-N 3.36Å
84	S	31.8	Very low	39.1	Very low	108 Å²	108	131.9 Å²	131.9	76%	0.755	73%	0.731	S	S	*	*			trans	-61.4	99.8	172.6	54.5	0	0	0	0	109.8	G82 V86	G82-S84 PolarHBondContact O-N 3.24Å; S84-V86 PolarHBondContact O-N 3.03Å; S84-V86 VanDerWaalsContact O-N 3.13Å
85	D	30.6	Very low	37.2	Very low	159 Å²	159	137.4 Å²	137.4	85%	0.85	77%	0.77	S	S	*	*			trans	-69.4	105.4	164.7	-91.8	-30.7	0	0	0	108.9	P83 Q87	P83-D85 PolarHBondContact O-N 3.36Å; D85-Q87 PolarHBondContact O-N 3.27Å; D85-Q87 VanDerWaalsContact O-N 3.16Å
86	V	39.1	Very low	35.3	Very low	130 Å²	130	142.5 Å²	142.5	79%	0.788	80%	0.799	S	S	*	*			trans	-74.4	99.1	173.1	-164.5	0	0	0	0	107.9	S84	S84-V86 PolarHBondContact O-N 3.03Å; S84-V86 VanDerWaalsContact O-N 3.13Å
87	Q	33.3	Very low	34.8	Very low	182 Å²	182	141.8 Å²	141.8	85%	0.85	81%	0.806	S	S	*	*			trans	-124.5	103.4	164.7	-102.6	171.6	11	0	0	112.2	D85	D85-Q87 PolarHBondContact O-N 3.27Å; D85-Q87 VanDerWaalsContact O-N 3.16Å
88	N	31.6	Very low	34.8	Very low	159 Å²	159	143 Å²	143	85%	0.85	81%	0.812	S	S	*	*			trans	8.1	113.6	152	-68.7	-31.9	0	0	0	118.7
89	G	35.6	Very low	34.8	Very low	77 Å²	77	141 Å²	141	79%	0.794	82%	0.816	S	S	*	*				67.4	94	118.9	0	0	0	0	0	119.3
90	H	33.5	Very low	35	Very low	190 Å²	190	142.8 Å²	142.8	88%	0.88	82%	0.82	S	S	*	*				-157.1	123.7	125.7	-139.7	-68	0	0	0	109.5
91	L	35.8	Very low	35.3	Very low	164 Å²	164	136.3 Å²	136.3	86%	0.859	80%	0.802	S	S	*	*			trans	-75.1	124.1	169	-75.8	156.4	0	0	0	107.8
92	D	30.9	Very low	35.6	Very low	148 Å²	148	138 Å²	138	79%	0.791	80%	0.801	S	S	*	*			trans	-117.8	111.3	166.8	-137.5	-15.4	0	0	0	107.4	N94	D92-N94 VanDerWaalsContact C-N 3.28Å; D92-N94 PolarHBondContact O-N 3.45Å
93	P	37.4	Very low	36.7	Very low	121 Å²	121	140 Å²	140	79%	0.786	80%	0.803	S	S	*	*			trans	-89.1	34.6	-167.1	34.7	-34.4	0	0	0	113.8
94	N	38.5	Very low	37.5	Very low	163 Å²	163	139.2 Å²	139.2	87%	0.872	79%	0.792	S	S	*	*			trans	-149	46.5	-172.4	-131.6	36.4	0	0	0	115.2	D92	D92-N94 VanDerWaalsContact C-N 3.28Å; D92-N94 PolarHBondContact O-N 3.45Å
95	S	30.8	Very low	38.7	Very low	120 Å²	120	141.3 Å²	141.3	84%	0.839	79%	0.789	S	S	*	*			trans	-124.5	111.2	167.1	-156.2	0	0	0	0	110.2
96	D	32	Very low	41.1	Very low	155 Å²	155	138.5 Å²	138.5	83%	0.829	78%	0.775	S	S	*	*			trans	-55.7	143.5	179.8	-80.3	-49.3	0	0	0	113.3	L98	D96-L98 PolarHBondContact O-N 3.38Å
97	C	44.3	Very low	43.3	Very low	112 Å²	112	136.5 Å²	136.5	76%	0.757	75%	0.753	S	S	*	*			trans	-32.7	105.4	166.3	-173.1	0	0	0	0	115.3
98	L	41.8	Very low	46	Very low	164 Å²	164	130.3 Å²	130.3	86%	0.859	73%	0.726	S	S	*	*			trans	-155.8	58.6	165.8	-75.9	-176.1	0	0	0	114.9	D96	D96-L98 PolarHBondContact O-N 3.38Å
99	C	36.7	Very low	48.9	Very low	130 Å²	130	127.9 Å²	127.9	88%	0.878	71%	0.709	S	S	*	*			trans	-146.3	39	170.1	-66.1	0	0	0	0	115
100	L	39.8	Very low	51.5	Low	164 Å²	164	125.9 Å²	125.9	86%	0.859	68%	0.68	S	S	*	*	S	Bend	trans	-111.3	3.4	176.5	-86.2	159.9	0	0	0	114.7
101	G	38.2	Very low	54.5	Low	47 Å²	47	117 Å²	117	49%	0.485	64%	0.638	S	S	.	*			trans	-97.3	-5.1	-171	0	0	0	0	0	117.9
102	R	43.2	Very low	57.3	Low	229 Å²	229	109.5 Å²	109.5	86%	0.864	60%	0.6	S	S	*	*	H	α-helix	trans	-80	-23	-167.2	-87	-176.6	175.1	-173.9	-1.6	118.3
103	P	51.8	Low	60.3	Low	98 Å²	98	104.9 Å²	104.9	64%	0.636	58%	0.575	S	S	*	*	H	α-helix	trans	-77.4	-35.7	-179.8	-18.2	31.4	0	0	0	115	R107	P103-R107 PolarHBondContact O-N 2.97Å
104	L	51.4	Low	63	Low	104 Å²	104	99.1 Å²	99.1	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-74.3	-46.1	-170.4	-70.1	166.7	0	0	0	112.6	N106 R107 D108	L104-N106 PolarHBondContact O-N 3.49Å; L104-R107 PolarHBondContact O-N 2.78Å; L104-R107 VanDerWaalsContact O-N 3.08Å; L104-D108 PolarHBondContact O-N 2.99Å
105	Q	57.2	Low	65.7	Low	151 Å²	151	91.4 Å²	91.4	71%	0.706	50%	0.496	S	S	*	.	H	α-helix	trans	-61.4	-31.9	177.6	-72.9	174.8	-11.9	0	0	112.5	Q109	Q105-Q109 WeakPolarHBondContact O-CB 3.38Å; Q105-Q109 PolarHBondContact O-N 2.76Å; Q105-Q109 VanDerWaalsContact O-N 3.13Å
106	N	79.3	Confident	68.7	Low	101 Å²	101	88.4 Å²	88.4	54%	0.54	47%	0.471	S	S	.	.	H	α-helix	trans	-66.3	-46.4	174.6	-164.9	14	0	0	0	110.5	L104 D108 Q109 M110	L104-N106 PolarHBondContact O-N 3.49Å; N106-D108 PolarHBondContact O-N 3.34Å; N106-Q109 PolarHBondContact O-N 2.87Å; N106-M110 VanDerWaalsContact O-CG 3.23Å; N106-M110 WeakPolarHBondContact O-CG 3.46Å; N106-M110 PolarHBondContact O-N 2.77Å
107	R	85.8	Confident	71.7	Confident	88 Å²	88	82 Å²	82	33%	0.332	44%	0.437	S	S	.	.	H	α-helix	trans	-65	-40	-179.6	-163.8	-180	67.4	-174.8	-5.3	113	P103 L104 M110 R111 Y266	P103-R107 PolarHBondContact O-N 2.97Å; L104-R107 PolarHBondContact O-N 2.78Å; L104-R107 VanDerWaalsContact O-N 3.08Å; R107-M110 WeakPolarHBondContact O-CB 3.04Å; R107-M110 PolarHBondContact O-N 2.87Å; R107-R111 PolarHBondContact O-N 3.43Å; R107-Y266 HydrophobicContact CG-CD1 4.14Å
108	D	91.4	Very high	74.1	Confident	52 Å²	52	76.8 Å²	76.8	28%	0.278	40%	0.401	S	S	.	.	H	α-helix	trans	-66.8	-39.6	178	-63.6	-24.8	0	0	0	111	L104 N106 M110 R111 A112 H183	L104-D108 PolarHBondContact O-N 2.99Å; N106-D108 PolarHBondContact O-N 3.34Å; D108-M110 PolarHBondContact O-N 3Å; D108-R111 PolarHBondContact O-N 3.31Å; D108-A112 PolarHBondContact O-N 2.88Å; D108-H183 HydrophobicContact CB-CB 4.28Å; D108-H183 VanDerWaalsContact O-CB 3.25Å; D108-H183 WeakPolarHBondContact O-CB 3.41Å
109	Q	92.1	Very high	76.7	Confident	108 Å²	108	69.1 Å²	69.1	51%	0.505	36%	0.361	S	S	.	.	H	α-helix	trans	-62.5	-41.9	172	-174.1	60.5	59.5	0	0	111.8	Q105 N106 R111 A112 N113	Q105-Q109 WeakPolarHBondContact O-CB 3.38Å; Q105-Q109 PolarHBondContact O-N 2.76Å; Q105-Q109 VanDerWaalsContact O-N 3.13Å; N106-Q109 PolarHBondContact O-N 2.87Å; Q109-R111 PolarHBondContact O-N 3Å; Q109-A112 WeakPolarHBondContact O-CB 3.5Å; Q109-A112 PolarHBondContact O-N 3.04Å; Q109-N113 PolarHBondContact NE2-OD1 3.48Å; Q109-N113 PolarHBondContact O-N 2.95Å; Q109-N113 PolarHBondContact O-OD1 2.93Å
110	M	89.8	Confident	79.4	Confident	35 Å²	35	64.1 Å²	64.1	17%	0.172	33%	0.327	C	S	.	.	H	α-helix	trans	-61.5	-43	175.5	-67.7	-49.7	-124.1	0	0	112	N74 N106 R107 D108 N113 V114 Y266	N74-M110 HydrophobicContact CB-CE 3.28Å; N74-M110 HydrophobicContact CB-SD 4.03Å; N74-M110 WeakPolarHBondContact ND2-CB 3.38Å; N74-M110 PolarHBondContact OD1-SD 3.49Å; N106-M110 VanDerWaalsContact O-CG 3.23Å; N106-M110 WeakPolarHBondContact O-CG 3.46Å; N106-M110 PolarHBondContact O-N 2.77Å; R107-M110 WeakPolarHBondContact O-CB 3.04Å; R107-M110 PolarHBondContact O-N 2.87Å; D108-M110 PolarHBondContact O-N 3Å; M110-N113 WeakPolarHBondContact O-CB 3.29Å; M110-N113 PolarHBondContact O-N 3.29Å; M110-V114 WeakPolarHBondContact O-CG2 3.43Å; M110-V114 PolarHBondContact O-N 3.14Å; M110-V114 VanDerWaalsContact O-N 3.14Å; M110-Y266 HydrophobicContact CB-CD1 3.59Å; M110-Y266 HydrophobicContact CB-CD2 4.12Å; M110-Y266 HydrophobicContact CB-CE1 3.9Å; M110-Y266 HydrophobicContact CB-CE2 4.39Å; M110-Y266 HydrophobicContact CB-CG 3.71Å; M110-Y266 HydrophobicContact CG-CD1 4.18Å; M110-Y266 HydrophobicContact CG-CE1 4.08Å
111	R	96.8	Very high	81.9	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-61.8	-45	173.5	178.2	169.3	166.6	86.1	6.2	111.3	R107 D108 Q109 N113 V114 I115 H183 S185 L263 T267 H271 D273	R107-R111 PolarHBondContact O-N 3.43Å; D108-R111 PolarHBondContact O-N 3.31Å; Q109-R111 PolarHBondContact O-N 3Å; R111-N113 VanDerWaalsContact C-N 3.3Å; R111-N113 PolarHBondContact O-N 3.48Å; R111-V114 PolarHBondContact O-N 3.06Å; R111-I115 HydrophobicContact CG-CG1 4.49Å; R111-I115 WeakPolarHBondContact O-CG1 3.38Å; R111-I115 PolarHBondContact O-N 2.83Å; R111-H183 HydrophobicContact CB-CB 4.44Å; R111-H183 WeakPolarHBondContact CD-O 3.43Å; R111-H183 HydrophobicContact CG-CB 4.45Å; R111-H183 PolarHBondContact NE-O 2.92Å; R111-S185 PolarHBondContact NH2-O 3.44Å; R111-L263 HydrophobicContact CG-CD1 3.92Å; R111-T267 PolarHBondContact NH1-OG1 3.37Å; R111-H271 PolarHBondContact NE-NE2 3.04Å; R111-H271 PolarHBondContact NH2-CE1 3.31Å; R111-H271 VanDerWaalsContact NH2-CE1 3.33Å; R111-D273 IonicContact CZ-OD2 3.41Å; R111-D273 IonicContact NH1-OD2 2.94Å; R111-D273 IonicContact NH2-OD2 2.8Å; R111-D273 PolarHBondContact NH2-OD2 3.13Å
112	A	94.9	Very high	84.7	Confident	7 Å²	7	55.7 Å²	55.7	6%	0.058	27%	0.273	C	S	.	.	H	α-helix	trans	-58.4	-40.7	175.6	0	0	0	0	0	112.4	D108 Q109 V114 I115 N116 P182 H183	D108-A112 PolarHBondContact O-N 2.88Å; Q109-A112 WeakPolarHBondContact O-CB 3.5Å; Q109-A112 PolarHBondContact O-N 3.04Å; A112-V114 PolarHBondContact O-N 3.45Å; A112-I115 PolarHBondContact O-N 3.32Å; A112-N116 WeakPolarHBondContact O-CB 3.49Å; A112-N116 VanDerWaalsContact O-CG 3.32Å; A112-N116 PolarHBondContact O-N 2.81Å; A112-N116 PolarHBondContact O-ND2 2.94Å; A112-P182 HydrophobicContact CB-CB 4.09Å; A112-H183 HydrophobicContact CB-CB 4.11Å
113	N	92.4	Very high	87.1	Confident	52 Å²	52	50 Å²	50	28%	0.278	25%	0.252	S	S	.	.	H	α-helix	trans	-60.9	-44.8	176.5	-64.9	-12.5	0	0	0	111.4	V73 Q109 M110 R111 N116 E117	V73-N113 HydrophobicContact CG1-CB 3.9Å; Q109-N113 PolarHBondContact NE2-OD1 3.48Å; Q109-N113 PolarHBondContact O-N 2.95Å; Q109-N113 PolarHBondContact O-OD1 2.93Å; M110-N113 WeakPolarHBondContact O-CB 3.29Å; M110-N113 PolarHBondContact O-N 3.29Å; R111-N113 VanDerWaalsContact C-N 3.3Å; R111-N113 PolarHBondContact O-N 3.48Å; N113-N116 PolarHBondContact O-N 2.89Å; N113-E117 WeakPolarHBondContact O-CB 3.28Å; N113-E117 PolarHBondContact O-N 2.84Å
114	V	93.9	Very high	88.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.9	-44.7	178	179.3	0	0	0	0	111.4	M110 R111 A112 N116 E117 I118 E262 L263 Y266	M110-V114 WeakPolarHBondContact O-CG2 3.43Å; M110-V114 PolarHBondContact O-N 3.14Å; M110-V114 VanDerWaalsContact O-N 3.14Å; R111-V114 PolarHBondContact O-N 3.06Å; A112-V114 PolarHBondContact O-N 3.45Å; V114-N116 VanDerWaalsContact C-N 3.33Å; V114-N116 PolarHBondContact O-N 2.83Å; V114-E117 PolarHBondContact O-N 2.84Å; V114-I118 HydrophobicContact CG1-CD1 3.98Å; V114-I118 HydrophobicContact CG1-CG1 4.49Å; V114-I118 WeakPolarHBondContact O-CG1 3.26Å; V114-I118 PolarHBondContact O-N 3.42Å; V114-E262 HydrophobicContact CG1-CG 4.44Å; V114-E262 HydrophobicContact CG2-CG 3.75Å; V114-L263 HydrophobicContact CB-CD1 4.32Å; V114-L263 HydrophobicContact CG1-CB 3.86Å; V114-L263 HydrophobicContact CG1-CD1 4.06Å; V114-Y266 HydrophobicContact CG2-CD2 4.22Å
115	I	97.1	Very high	91	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.7	-47.5	175.1	-67.4	-65.7	0	0	0	110.5	R111 A112 E117 I118 M119 Y177 I187 L263	R111-I115 HydrophobicContact CG-CG1 4.49Å; R111-I115 WeakPolarHBondContact O-CG1 3.38Å; R111-I115 PolarHBondContact O-N 2.83Å; A112-I115 PolarHBondContact O-N 3.32Å; I115-E117 VanDerWaalsContact C-N 3.35Å; I115-E117 PolarHBondContact O-N 3.47Å; I115-I118 PolarHBondContact O-N 2.94Å; I115-M119 HydrophobicContact CG2-CG 4.32Å; I115-M119 VanDerWaalsContact O-CG 3.27Å; I115-M119 WeakPolarHBondContact O-CG 3.2Å; I115-M119 PolarHBondContact O-N 2.97Å; I115-Y177 HydrophobicContact CG2-CD2 3.84Å; I115-Y177 HydrophobicContact CG2-CE2 3.87Å; I115-I187 HydrophobicContact CD1-CD1 3.54Å; I115-I187 HydrophobicContact CD1-CG1 3.8Å; I115-I187 HydrophobicContact CD1-CG2 4.4Å; I115-L263 HydrophobicContact CD1-CD1 3.63Å; I115-L263 HydrophobicContact CD1-CD2 4.02Å; I115-L263 HydrophobicContact CG1-CD1 3.97Å
116	N	93.4	Very high	92.9	Very high	58 Å²	58	39.8 Å²	39.8	31%	0.31	19%	0.193	S	C	.	.	H	α-helix	trans	-62.8	-39.6	179	-77	-39.7	0	0	0	112.7	A112 N113 V114 S120 Y177	A112-N116 WeakPolarHBondContact O-CB 3.49Å; A112-N116 VanDerWaalsContact O-CG 3.32Å; A112-N116 PolarHBondContact O-N 2.81Å; A112-N116 PolarHBondContact O-ND2 2.94Å; N113-N116 PolarHBondContact O-N 2.89Å; V114-N116 VanDerWaalsContact C-N 3.33Å; V114-N116 PolarHBondContact O-N 2.83Å; N116-S120 WeakPolarHBondContact O-CB 3.42Å; N116-S120 PolarHBondContact O-N 2.84Å; N116-Y177 PolarHBondContact OD1-OH 2.71Å; N116-Y177 VanDerWaalsContact OD1-OH 3.11Å
117	E	94.1	Very high	93.6	Very high	21 Å²	21	39.9 Å²	39.9	10%	0.098	19%	0.188	C	C	.	.	H	α-helix	trans	-63.4	-45	174.5	-172.7	-119.3	133.3	0	0	111.3	R70 V73 N113 V114 I115 S120 T121 Q259	R70-E117 IonicContact CZ-OE2 3.26Å; R70-E117 IonicContact NE-OE1 3.79Å; R70-E117 IonicContact NE-OE2 3.32Å; R70-E117 IonicContact NH2-OE1 3.29Å; R70-E117 IonicContact NH2-OE2 2.76Å; R70-E117 PolarHBondContact NH2-OE2 3.32Å; V73-E117 HydrophobicContact CG2-CB 4.16Å; V73-E117 HydrophobicContact CG2-CG 3.98Å; V73-E117 WeakPolarHBondContact CG2-OE2 3.49Å; N113-E117 WeakPolarHBondContact O-CB 3.28Å; N113-E117 PolarHBondContact O-N 2.84Å; V114-E117 PolarHBondContact O-N 2.84Å; I115-E117 VanDerWaalsContact C-N 3.35Å; I115-E117 PolarHBondContact O-N 3.47Å; E117-S120 PolarHBondContact O-N 2.84Å; E117-T121 HydrophobicContact CG-CG2 4.23Å; E117-T121 WeakPolarHBondContact O-CB 3.49Å; E117-T121 VanDerWaalsContact O-CG2 3.23Å; E117-T121 WeakPolarHBondContact O-CG2 3.29Å; E117-T121 PolarHBondContact O-N 3.09Å; E117-T121 PolarHBondContact O-OG1 3.04Å; E117-Q259 PolarHBondContact OE1-NE2 3.46Å
118	I	95.1	Very high	94	Very high	1 Å²	1	38 Å²	38	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-57.9	-55.9	175.3	-68.9	168.7	0	0	0	109.7	V114 I115 S120 T121 E122 I187 Q259 L263	V114-I118 HydrophobicContact CG1-CD1 3.98Å; V114-I118 HydrophobicContact CG1-CG1 4.49Å; V114-I118 WeakPolarHBondContact O-CG1 3.26Å; V114-I118 PolarHBondContact O-N 3.42Å; I115-I118 PolarHBondContact O-N 2.94Å; I118-S120 VanDerWaalsContact C-N 3.29Å; I118-S120 PolarHBondContact O-N 3.32Å; I118-T121 PolarHBondContact O-N 3.35Å; I118-T121 PolarHBondContact O-OG1 2.91Å; I118-E122 HydrophobicContact CG2-CG 4.36Å; I118-E122 WeakPolarHBondContact O-CG 3.5Å; I118-E122 PolarHBondContact O-N 2.88Å; I118-I187 HydrophobicContact CD1-CD1 3.85Å; I118-I187 HydrophobicContact CG2-CD1 4.16Å; I118-Q259 HydrophobicContact CD1-CB 4.17Å; I118-Q259 HydrophobicContact CG1-CB 4Å; I118-Q259 HydrophobicContact CG1-CG 4.37Å; I118-L263 HydrophobicContact CD1-CD2 4.42Å
119	M	96	Very high	94.3	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.015	17%	0.17	C	C	.	.	H	α-helix	trans	-58.2	-41	-179.5	-65.8	-55.2	-69.6	0	0	112.6	I115 R123 L173 E174 Y177	I115-M119 HydrophobicContact CG2-CG 4.32Å; I115-M119 VanDerWaalsContact O-CG 3.27Å; I115-M119 WeakPolarHBondContact O-CG 3.2Å; I115-M119 PolarHBondContact O-N 2.97Å; M119-R123 WeakPolarHBondContact O-CG 3.35Å; M119-R123 PolarHBondContact O-N 2.84Å; M119-L173 HydrophobicContact CE-CB 4.19Å; M119-L173 HydrophobicContact SD-CB 3.96Å; M119-E174 HydrophobicContact CE-CB 4.16Å; M119-E174 HydrophobicContact CE-CG 3.5Å; M119-E174 VanDerWaalsContact CE-CG 3.5Å; M119-Y177 HydrophobicContact CG-CD2 3.89Å; M119-Y177 HydrophobicContact CG-CE2 4.39Å
120	S	92.6	Very high	94.5	Very high	25 Å²	25	34.4 Å²	34.4	18%	0.175	16%	0.164	C	C	.	.	H	α-helix	trans	-64.3	-51	176.3	-177.8	0	0	0	0	111.2	N116 E117 I118 E122 R123 H124	N116-S120 WeakPolarHBondContact O-CB 3.42Å; N116-S120 PolarHBondContact O-N 2.84Å; E117-S120 PolarHBondContact O-N 2.84Å; I118-S120 VanDerWaalsContact C-N 3.29Å; I118-S120 PolarHBondContact O-N 3.32Å; S120-E122 VanDerWaalsContact C-N 3.31Å; S120-E122 PolarHBondContact O-N 3Å; S120-R123 PolarHBondContact O-N 3.46Å; S120-H124 PolarHBondContact O-N 2.91Å; S120-H124 PolarHBondContact O-ND1 2.96Å; S120-H124 PolarHBondContact OG-CE1 2.85Å; S120-H124 VanDerWaalsContact OG-CE1 3.29Å; S120-H124 PolarHBondContact OG-ND1 3.12Å
121	T	92.7	Very high	94.7	Very high	34 Å²	34	33.2 Å²	33.2	21%	0.209	16%	0.158	C	C	.	.	H	α-helix	trans	-65	-35.1	-177.9	57.3	0	0	0	0	112.1	E117 I118 H124 Y125 Q259	E117-T121 HydrophobicContact CG-CG2 4.23Å; E117-T121 WeakPolarHBondContact O-CB 3.49Å; E117-T121 VanDerWaalsContact O-CG2 3.23Å; E117-T121 WeakPolarHBondContact O-CG2 3.29Å; E117-T121 PolarHBondContact O-N 3.09Å; E117-T121 PolarHBondContact O-OG1 3.04Å; I118-T121 PolarHBondContact O-N 3.35Å; I118-T121 PolarHBondContact O-OG1 2.91Å; T121-H124 PolarHBondContact O-N 3.08Å; T121-Y125 VanDerWaalsContact O-CB 3.26Å; T121-Y125 WeakPolarHBondContact O-CB 3.38Å; T121-Y125 PolarHBondContact O-N 3.38Å; T121-Q259 PolarHBondContact OG1-NE2 2.9Å
122	E	96.7	Very high	94.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-59.5	-48.2	170.9	-72.8	-38.6	102.9	0	0	112.2	I118 S120 H124 Y125 I126 Q166 F169 V170 L173 K252 Y256	I118-E122 HydrophobicContact CG2-CG 4.36Å; I118-E122 WeakPolarHBondContact O-CG 3.5Å; I118-E122 PolarHBondContact O-N 2.88Å; S120-E122 VanDerWaalsContact C-N 3.31Å; S120-E122 PolarHBondContact O-N 3Å; E122-H124 VanDerWaalsContact C-N 3.34Å; E122-H124 PolarHBondContact O-N 3.21Å; E122-Y125 PolarHBondContact O-N 3.19Å; E122-I126 WeakPolarHBondContact O-CG2 3.23Å; E122-I126 PolarHBondContact O-N 3.46Å; E122-Q166 PolarHBondContact OE2-NE2 3.09Å; E122-F169 WeakPolarHBondContact OE2-CE1 3.36Å; E122-V170 HydrophobicContact CB-CG2 3.97Å; E122-L173 HydrophobicContact CG-CD1 3.69Å; E122-K252 WeakPolarHBondContact OE1-CE 3.34Å; E122-K252 IonicContact OE1-NZ 2.74Å; E122-K252 PolarHBondContact OE1-NZ 2.66Å; E122-Y256 WeakPolarHBondContact OE1-CE1 3.06Å; E122-Y256 PolarHBondContact OE2-OH 3.47Å
123	R	94.8	Very high	94.8	Very high	109 Å²	109	33.2 Å²	33.2	41%	0.411	16%	0.157	S	C	.	.	H	α-helix	trans	-64.2	-36.8	179	-76.8	-172.9	-67.7	-94.6	-1.1	112.8	M119 S120 I126 K127 E174	M119-R123 WeakPolarHBondContact O-CG 3.35Å; M119-R123 PolarHBondContact O-N 2.84Å; S120-R123 PolarHBondContact O-N 3.46Å; R123-I126 VanDerWaalsContact O-CG2 3.24Å; R123-I126 WeakPolarHBondContact O-CG2 3.43Å; R123-K127 WeakPolarHBondContact O-CB 3.39Å; R123-K127 PolarHBondContact O-N 3.31Å; R123-E174 IonicContact NH1-OE1 3.16Å
124	H	89.8	Confident	94.9	Very high	96 Å²	96	34.2 Å²	34.2	44%	0.444	16%	0.16	S	C	.	.	H	α-helix	trans	-69.2	-43.2	174	-70	97.9	0	0	0	111.3	S120 T121 E122 K127 H128	S120-H124 PolarHBondContact O-N 2.91Å; S120-H124 PolarHBondContact O-ND1 2.96Å; S120-H124 PolarHBondContact OG-CE1 2.85Å; S120-H124 VanDerWaalsContact OG-CE1 3.29Å; S120-H124 PolarHBondContact OG-ND1 3.12Å; T121-H124 PolarHBondContact O-N 3.08Å; E122-H124 VanDerWaalsContact C-N 3.34Å; E122-H124 PolarHBondContact O-N 3.21Å; H124-K127 WeakPolarHBondContact O-CB 3.46Å; H124-K127 PolarHBondContact O-N 2.84Å; H124-H128 PolarHBondContact O-CD2 3.49Å; H124-H128 PolarHBondContact O-N 2.83Å
125	Y	95.9	Very high	95	Very high	10 Å²	10	34.3 Å²	34.3	4%	0.039	16%	0.162	C	C	.	.	H	α-helix	trans	-63.4	-46.8	179.7	175.9	-121.8	0	0	0	112.3	T121 E122 K127 H128 L129 Q166 Y201 P249 K252	T121-Y125 VanDerWaalsContact O-CB 3.26Å; T121-Y125 WeakPolarHBondContact O-CB 3.38Å; T121-Y125 PolarHBondContact O-N 3.38Å; E122-Y125 PolarHBondContact O-N 3.19Å; Y125-K127 VanDerWaalsContact C-N 3.26Å; Y125-K127 PolarHBondContact O-N 2.96Å; Y125-H128 WeakPolarHBondContact O-CB 3.46Å; Y125-H128 PolarHBondContact O-N 3.37Å; Y125-L129 HydrophobicContact CD1-CD1 4.26Å; Y125-L129 HydrophobicContact CD2-CG 4.42Å; Y125-L129 HydrophobicContact CE1-CD1 3.69Å; Y125-L129 HydrophobicContact CE1-CG 4.31Å; Y125-L129 HydrophobicContact CE2-CD1 4.23Å; Y125-L129 HydrophobicContact CE2-CD2 3.99Å; Y125-L129 HydrophobicContact CE2-CG 3.97Å; Y125-L129 PolarHBondContact O-N 3.3Å; Y125-Q166 HydrophobicContact CD1-CG 3.98Å; Y125-Q166 HydrophobicContact CE1-CG 3.97Å; Y125-Y201 WeakPolarHBondContact CE1-OH 3.31Å; Y125-Y201 WeakPolarHBondContact OH-CE1 3.33Å; Y125-Y201 PolarHBondContact OH-OH 3.32Å; Y125-P249 HydrophobicContact CE2-CG 4.39Å; Y125-P249 VanDerWaalsContact OH-CA 3.29Å; Y125-P249 WeakPolarHBondContact OH-CA 3.49Å; Y125-P249 VanDerWaalsContact OH-CB 3.31Å; Y125-P249 WeakPolarHBondContact OH-CB 3.5Å; Y125-K252 HydrophobicContact CD1-CB 4.41Å; Y125-K252 HydrophobicContact CD1-CD 4.36Å; Y125-K252 HydrophobicContact CD1-CG 3.71Å; Y125-K252 HydrophobicContact CD2-CB 4.19Å; Y125-K252 HydrophobicContact CD2-CG 4.28Å; Y125-K252 HydrophobicContact CE1-CB 4.13Å; Y125-K252 HydrophobicContact CE1-CG 3.7Å; Y125-K252 HydrophobicContact CE2-CB 3.92Å; Y125-K252 HydrophobicContact CE2-CG 4.28Å; Y125-K252 HydrophobicContact CG-CB 4.43Å; Y125-K252 HydrophobicContact CG-CD 4.38Å; Y125-K252 HydrophobicContact CG-CG 4Å
126	I	96.9	Very high	95	Very high	33 Å²	33	34.4 Å²	34.4	17%	0.169	16%	0.162	C	C	.	.	H	α-helix	trans	-62.9	-33.5	175.6	-167.5	172.3	0	0	0	112.1	E122 R123 L129 K130 Y163 Q166 M167 V170	E122-I126 WeakPolarHBondContact O-CG2 3.23Å; E122-I126 PolarHBondContact O-N 3.46Å; R123-I126 VanDerWaalsContact O-CG2 3.24Å; R123-I126 WeakPolarHBondContact O-CG2 3.43Å; I126-L129 PolarHBondContact O-N 3.46Å; I126-K130 WeakPolarHBondContact O-CB 3.42Å; I126-K130 PolarHBondContact O-N 3.06Å; I126-Y163 HydrophobicContact CD1-CE2 4.46Å; I126-Y163 HydrophobicContact CG1-CD2 4.14Å; I126-Y163 HydrophobicContact CG1-CE2 3.75Å; I126-Q166 HydrophobicContact CB-CG 4.1Å; I126-Q166 HydrophobicContact CD1-CG 4.47Å; I126-Q166 HydrophobicContact CG1-CG 4.24Å; I126-M167 HydrophobicContact CD1-CB 4.28Å; I126-M167 HydrophobicContact CD1-CG 3.82Å; I126-V170 HydrophobicContact CB-CG2 4.43Å; I126-V170 HydrophobicContact CD1-CB 4.26Å; I126-V170 HydrophobicContact CD1-CG2 4.2Å
127	K	93.8	Very high	95.1	Very high	102 Å²	102	31.9 Å²	31.9	44%	0.443	15%	0.149	S	C	.	.	H	α-helix	trans	-62.9	-44.4	171.4	-175.2	-173.6	-179.6	-63.5	0	111.1	R123 H124 Y125 K130 D131	R123-K127 WeakPolarHBondContact O-CB 3.39Å; R123-K127 PolarHBondContact O-N 3.31Å; H124-K127 WeakPolarHBondContact O-CB 3.46Å; H124-K127 PolarHBondContact O-N 2.84Å; Y125-K127 VanDerWaalsContact C-N 3.26Å; Y125-K127 PolarHBondContact O-N 2.96Å; K127-K130 WeakPolarHBondContact O-CB 3.2Å; K127-K130 PolarHBondContact O-N 3Å; K127-D131 IonicContact NZ-OD1 2.82Å; K127-D131 IonicContact NZ-OD2 3.4Å; K127-D131 PolarHBondContact NZ-OD2 3.4Å; K127-D131 WeakPolarHBondContact O-CB 3.29Å; K127-D131 VanDerWaalsContact O-CG 3.27Å; K127-D131 PolarHBondContact O-N 3.42Å
128	H	93	Very high	95.3	Very high	49 Å²	49	36.4 Å²	36.4	23%	0.227	17%	0.168	C	C	.	.	H	α-helix	trans	-60.6	-45.1	175.6	-63.5	-32.4	0	0	0	111.9	H124 Y125 K130 D131 I132 F245	H124-H128 PolarHBondContact O-CD2 3.49Å; H124-H128 PolarHBondContact O-N 2.83Å; Y125-H128 WeakPolarHBondContact O-CB 3.46Å; Y125-H128 PolarHBondContact O-N 3.37Å; H128-K130 VanDerWaalsContact C-N 3.32Å; H128-K130 PolarHBondContact O-N 3.3Å; H128-D131 PolarHBondContact O-N 2.86Å; H128-I132 VanDerWaalsContact O-CG1 3.25Å; H128-I132 WeakPolarHBondContact O-CG1 3.45Å; H128-I132 PolarHBondContact O-N 2.8Å; H128-F245 HydrophobicContact CB-CD1 4.42Å; H128-F245 AromaticContact ND1-CE1 3.79Å
129	L	97.5	Very high	95.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-43.3	175.4	-68.2	179.3	0	0	0	112.2	Y125 I126 I132 C133 I159 I162 Y163 Q166 P249	Y125-L129 HydrophobicContact CD1-CD1 4.26Å; Y125-L129 HydrophobicContact CD2-CG 4.42Å; Y125-L129 HydrophobicContact CE1-CD1 3.69Å; Y125-L129 HydrophobicContact CE1-CG 4.31Å; Y125-L129 HydrophobicContact CE2-CD1 4.23Å; Y125-L129 HydrophobicContact CE2-CD2 3.99Å; Y125-L129 HydrophobicContact CE2-CG 3.97Å; Y125-L129 PolarHBondContact O-N 3.3Å; I126-L129 PolarHBondContact O-N 3.46Å; L129-I132 PolarHBondContact O-N 3.26Å; L129-C133 WeakPolarHBondContact O-CB 3.37Å; L129-C133 PolarHBondContact O-N 2.99Å; L129-C133 PolarHBondContact O-SG 3.17Å; L129-I159 HydrophobicContact CD2-CD1 3.54Å; L129-I159 HydrophobicContact CD2-CG1 4.28Å; L129-I162 HydrophobicContact CD1-CG2 4.01Å; L129-I162 HydrophobicContact CD2-CG2 4.27Å; L129-Y163 HydrophobicContact CB-CD2 3.6Å; L129-Y163 HydrophobicContact CB-CE2 4.42Å; L129-Y163 HydrophobicContact CB-CG 4.13Å; L129-Y163 HydrophobicContact CD1-CD2 4.38Å; L129-Q166 HydrophobicContact CD1-CB 3.75Å; L129-Q166 HydrophobicContact CD1-CG 3.84Å; L129-P249 HydrophobicContact CD2-CG 4.12Å
130	K	96.7	Very high	95.5	Very high	85 Å²	85	39.1 Å²	39.1	37%	0.37	18%	0.181	S	C	.	.	H	α-helix	trans	-60	-48.3	174.6	-177.9	-179.6	177.4	-178.1	0	111.5	I126 K127 H128 I132 C133 E134 Y163	I126-K130 WeakPolarHBondContact O-CB 3.42Å; I126-K130 PolarHBondContact O-N 3.06Å; K127-K130 WeakPolarHBondContact O-CB 3.2Å; K127-K130 PolarHBondContact O-N 3Å; H128-K130 VanDerWaalsContact C-N 3.32Å; H128-K130 PolarHBondContact O-N 3.3Å; K130-I132 VanDerWaalsContact C-N 3.3Å; K130-I132 PolarHBondContact O-N 2.83Å; K130-C133 PolarHBondContact O-N 3.44Å; K130-E134 WeakPolarHBondContact CE-OE1 3.43Å; K130-E134 WeakPolarHBondContact CE-OE2 3.43Å; K130-E134 HydrophobicContact CG-CG 4.14Å; K130-E134 WeakPolarHBondContact O-CB 3.41Å; K130-E134 WeakPolarHBondContact O-CG 3.41Å; K130-E134 PolarHBondContact O-N 2.81Å; K130-Y163 HydrophobicContact CB-CE2 3.87Å
131	D	94.1	Very high	95.7	Very high	9 Å²	9	42.4 Å²	42.4	5%	0.048	19%	0.189	C	C	.	.	H	α-helix	trans	-63.1	-36.4	-179.8	-70.1	-24.6	0	0	0	111.6	K127 H128 G135 Q235 M237	K127-D131 IonicContact NZ-OD1 2.82Å; K127-D131 IonicContact NZ-OD2 3.4Å; K127-D131 PolarHBondContact NZ-OD2 3.4Å; K127-D131 WeakPolarHBondContact O-CB 3.29Å; K127-D131 VanDerWaalsContact O-CG 3.27Å; K127-D131 PolarHBondContact O-N 3.42Å; H128-D131 PolarHBondContact O-N 2.86Å; D131-G135 WeakPolarHBondContact O-CA 3.44Å; D131-G135 PolarHBondContact O-N 2.57Å; D131-Q235 HydrophobicContact CB-CG 3.93Å; D131-Q235 WeakPolarHBondContact OD1-CG 3.48Å; D131-Q235 PolarHBondContact OD1-NE2 3.41Å; D131-M237 HydrophobicContact CB-CE 4.07Å; D131-M237 HydrophobicContact CB-CG 4.28Å; D131-M237 HydrophobicContact CB-SD 4.18Å; D131-M237 VanDerWaalsContact O-CE 3.27Å; D131-M237 WeakPolarHBondContact O-CE 3.29Å
132	I	96.9	Very high	95.9	Very high	0 Å²	0	47 Å²	47	0%	0	21%	0.206	C	C	.	.	I	π-helix	trans	-63.9	-50.8	172.8	-65.8	162	0	0	0	110.9	H128 L129 K130 Y136 L137 F156 I159 F245 L246	H128-I132 VanDerWaalsContact O-CG1 3.25Å; H128-I132 WeakPolarHBondContact O-CG1 3.45Å; H128-I132 PolarHBondContact O-N 2.8Å; L129-I132 PolarHBondContact O-N 3.26Å; K130-I132 VanDerWaalsContact C-N 3.3Å; K130-I132 PolarHBondContact O-N 2.83Å; I132-Y136 WeakPolarHBondContact O-CB 3.47Å; I132-Y136 PolarHBondContact O-N 3.36Å; I132-Y136 VanDerWaalsContact O-N 3.08Å; I132-L137 PolarHBondContact O-N 3.27Å; I132-F156 HydrophobicContact CG2-CD1 4.3Å; I132-F156 HydrophobicContact CG2-CE1 4.34Å; I132-I159 HydrophobicContact CG2-CG1 4.12Å; I132-F245 HydrophobicContact CD1-CB 3.96Å; I132-F245 WeakPolarHBondContact CD1-O 3.41Å; I132-F245 HydrophobicContact CG1-CB 3.95Å; I132-F245 HydrophobicContact CG1-CD1 4.47Å; I132-F245 HydrophobicContact CG1-CG 4.5Å; I132-L246 HydrophobicContact CG2-CD2 4.02Å
133	C	97.7	Very high	95.9	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.061	22%	0.224	C	C	.	.	I	π-helix	trans	-67.2	-45.6	-176.1	-66	0	0	0	0	112.1	L129 K130 K138 Y163	L129-C133 WeakPolarHBondContact O-CB 3.37Å; L129-C133 PolarHBondContact O-N 2.99Å; L129-C133 PolarHBondContact O-SG 3.17Å; K130-C133 PolarHBondContact O-N 3.44Å; C133-K138 WeakPolarHBondContact O-CB 3.45Å; C133-K138 PolarHBondContact O-N 2.97Å; C133-Y163 HydrophobicContact CB-CD1 4.4Å
134	E	95.1	Very high	95.9	Very high	73 Å²	73	53.1 Å²	53.1	34%	0.341	23%	0.229	S	C	.	.	I	π-helix	trans	-83.7	-38.3	-176.2	-65.5	-173.4	172.1	0	0	113.3	K130 K138	K130-E134 WeakPolarHBondContact CE-OE1 3.43Å; K130-E134 WeakPolarHBondContact CE-OE2 3.43Å; K130-E134 HydrophobicContact CG-CG 4.14Å; K130-E134 WeakPolarHBondContact O-CB 3.41Å; K130-E134 WeakPolarHBondContact O-CG 3.41Å; K130-E134 PolarHBondContact O-N 2.81Å; E134-K138 WeakPolarHBondContact O-CB 3.34Å
135	G	94.1	Very high	96.2	Very high	3 Å²	3	54.1 Å²	54.1	3%	0.031	24%	0.238	C	C	.	.	I	π-helix	trans	-84.9	-41.3	-174.6	0	0	0	0	0	113.4	D131 Q139 C231	D131-G135 WeakPolarHBondContact O-CA 3.44Å; D131-G135 PolarHBondContact O-N 2.57Å; G135-Q139 WeakPolarHBondContact O-CG 3.45Å; G135-C231 WeakPolarHBondContact O-CB 3.41Å
136	Y	97.1	Very high	96.2	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.008	24%	0.24	C	C	.	.	I	π-helix	trans	-101.4	-68.1	179.7	-68.4	-66.2	0	0	0	112.2	I132 K138 Q139 C140 F228 C231 R232 M237 I242	I132-Y136 WeakPolarHBondContact O-CB 3.47Å; I132-Y136 PolarHBondContact O-N 3.36Å; I132-Y136 VanDerWaalsContact O-N 3.08Å; Y136-K138 VanDerWaalsContact C-N 3.32Å; Y136-K138 PolarHBondContact O-N 2.89Å; Y136-Q139 PolarHBondContact O-N 3.49Å; Y136-C140 PolarHBondContact O-N 2.86Å; Y136-C140 PolarHBondContact O-SG 2.92Å; Y136-F228 AromaticContact CD1-CD1 3.83Å; Y136-F228 HydrophobicContact CD1-CD1 3.83Å; Y136-F228 HydrophobicContact CD1-CE1 4.47Å; Y136-F228 HydrophobicContact CE1-CB 4.26Å; Y136-F228 AromaticContact CE1-CD1 3.98Å; Y136-F228 HydrophobicContact CE1-CD1 3.98Å; Y136-F228 WeakPolarHBondContact CE1-O 3.3Å; Y136-C231 HydrophobicContact CD1-CB 3.56Å; Y136-C231 HydrophobicContact CE1-CB 3.59Å; Y136-R232 VanDerWaalsContact OH-CB 3.31Å; Y136-R232 WeakPolarHBondContact OH-CB 3.41Å; Y136-M237 HydrophobicContact CD2-CE 3.69Å; Y136-M237 HydrophobicContact CD2-SD 4.27Å; Y136-M237 HydrophobicContact CE2-CE 3.4Å; Y136-M237 HydrophobicContact CE2-SD 3.48Å; Y136-M237 WeakPolarHBondContact CE2-SD 3.46Å; Y136-M237 HydrophobicContact CG-CE 4.48Å; Y136-I242 HydrophobicContact CD1-CD1 3.73Å; Y136-I242 HydrophobicContact CD1-CG1 4.31Å; Y136-I242 HydrophobicContact CD2-CD1 4.15Å; Y136-I242 HydrophobicContact CD2-CG1 4.07Å; Y136-I242 HydrophobicContact CE1-CB 4.22Å; Y136-I242 HydrophobicContact CE1-CD1 4.1Å; Y136-I242 HydrophobicContact CE1-CG1 4.31Å; Y136-I242 HydrophobicContact CE2-CB 4.3Å; Y136-I242 HydrophobicContact CE2-CG1 4.08Å; Y136-I242 HydrophobicContact CG-CD1 3.75Å; Y136-I242 HydrophobicContact CG-CG1 4.19Å
137	L	97.5	Very high	96.3	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.026	23%	0.232	C	C	.	.	I	π-helix	trans	-57.4	-44.5	-168.5	176.4	60.9	0	0	0	112.3	I132 Q139 C140 R141 F156 I159 E160	I132-L137 PolarHBondContact O-N 3.27Å; L137-Q139 VanDerWaalsContact C-N 3.31Å; L137-Q139 PolarHBondContact O-N 2.82Å; L137-C140 PolarHBondContact O-N 2.88Å; L137-R141 HydrophobicContact CD1-CG 4.33Å; L137-R141 WeakPolarHBondContact O-CB 3.42Å; L137-R141 WeakPolarHBondContact O-CG 3.34Å; L137-R141 PolarHBondContact O-N 2.91Å; L137-F156 HydrophobicContact CB-CD1 4.22Å; L137-F156 HydrophobicContact CB-CE1 4.23Å; L137-F156 HydrophobicContact CB-CG 4.42Å; L137-F156 HydrophobicContact CB-CZ 4.44Å; L137-F156 HydrophobicContact CD1-CB 4.09Å; L137-F156 HydrophobicContact CD1-CD1 4.42Å; L137-F156 HydrophobicContact CD1-CD2 3.58Å; L137-F156 HydrophobicContact CD1-CE2 4.07Å; L137-F156 HydrophobicContact CD1-CG 3.78Å; L137-I159 HydrophobicContact CD2-CG2 4.23Å; L137-E160 HydrophobicContact CD2-CG 3.43Å; L137-E160 VanDerWaalsContact CD2-CG 3.43Å
138	K	96.9	Very high	96.4	Very high	115 Å²	115	50.7 Å²	50.7	50%	0.5	23%	0.229	S	C	.	.	H	α-helix	trans	-61.7	-36	176.6	-171.9	176.4	-175	176.3	0	112.9	C133 E134 Y136 K142	C133-K138 WeakPolarHBondContact O-CB 3.45Å; C133-K138 PolarHBondContact O-N 2.97Å; E134-K138 WeakPolarHBondContact O-CB 3.34Å; Y136-K138 VanDerWaalsContact C-N 3.32Å; Y136-K138 PolarHBondContact O-N 2.89Å; K138-K142 WeakPolarHBondContact O-CG 3.44Å; K138-K142 PolarHBondContact O-N 3.3Å
139	Q	97.4	Very high	96.6	Very high	61 Å²	61	53.4 Å²	53.4	29%	0.285	25%	0.246	S	C	.	.	H	α-helix	trans	-77.3	-39.8	178.1	-53.3	-55.6	-28.1	0	0	111.3	G135 Y136 L137 R141 K142 R143 F227	G135-Q139 WeakPolarHBondContact O-CG 3.45Å; Y136-Q139 PolarHBondContact O-N 3.49Å; L137-Q139 VanDerWaalsContact C-N 3.31Å; L137-Q139 PolarHBondContact O-N 2.82Å; Q139-R141 VanDerWaalsContact C-N 3.32Å; Q139-R141 PolarHBondContact O-N 2.94Å; Q139-K142 WeakPolarHBondContact O-CB 3.43Å; Q139-K142 PolarHBondContact O-N 2.96Å; Q139-K142 VanDerWaalsContact O-N 3.12Å; Q139-R143 PolarHBondContact O-N 3.15Å; Q139-F227 HydrophobicContact CB-CZ 3.91Å
140	C	97.6	Very high	96.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.9	-43.4	174.1	-62.3	0	0	0	0	111.3	Y136 L137 K142 R143 F147 L152 F156	Y136-C140 PolarHBondContact O-N 2.86Å; Y136-C140 PolarHBondContact O-SG 2.92Å; L137-C140 PolarHBondContact O-N 2.88Å; C140-K142 VanDerWaalsContact C-N 3.27Å; C140-K142 PolarHBondContact O-N 3.48Å; C140-R143 CarbonylContact O-C 3.54Å; C140-R143 PolarHBondContact O-N 2.98Å; C140-F147 HydrophobicContact CB-CD1 4.49Å; C140-F147 HydrophobicContact CB-CD2 3.75Å; C140-F147 HydrophobicContact CB-CE2 3.96Å; C140-F147 HydrophobicContact CB-CG 4.04Å; C140-F147 HydrophobicContact CB-CZ 4.4Å; C140-L152 HydrophobicContact CB-CD2 3.44Å; C140-L152 VanDerWaalsContact CB-CD2 3.44Å; C140-F156 HydrophobicContact CB-CE2 4.29Å
141	R	97.4	Very high	96.3	Very high	95 Å²	95	57.1 Å²	57.1	36%	0.358	27%	0.265	S	S	.	.	H	α-helix	trans	-60.9	-30.4	175.4	-76.7	174.5	175.3	165.9	-1.3	113.9	L137 Q139 R144 L152 E160	L137-R141 HydrophobicContact CD1-CG 4.33Å; L137-R141 WeakPolarHBondContact O-CB 3.42Å; L137-R141 WeakPolarHBondContact O-CG 3.34Å; L137-R141 PolarHBondContact O-N 2.91Å; Q139-R141 VanDerWaalsContact C-N 3.32Å; Q139-R141 PolarHBondContact O-N 2.94Å; R141-R144 PolarHBondContact O-NE 2.87Å; R141-R144 VanDerWaalsContact O-NE 3.09Å; R141-R144 PolarHBondContact O-NH1 2.85Å; R141-L152 HydrophobicContact CG-CD1 3.69Å; R141-E160 IonicContact CZ-OE1 2.73Å; R141-E160 IonicContact CZ-OE2 3.81Å; R141-E160 IonicContact NH1-OE1 3.36Å; R141-E160 PolarHBondContact NH1-OE1 3.02Å; R141-E160 IonicContact NH1-OE2 3.31Å; R141-E160 PolarHBondContact NH1-OE2 3.3Å; R141-E160 VanDerWaalsContact NH1-OE2 3.1Å; R141-E160 IonicContact NH2-OE1 3.03Å; R141-E160 IonicContact NH2-OE2 2.89Å; R141-E160 PolarHBondContact NH2-OE2 3.23Å
142	K	96.9	Very high	96.5	Very high	130 Å²	130	57.2 Å²	57.2	57%	0.565	27%	0.265	S	S	*	.	H	α-helix	trans	-74.3	-28.6	175	-70	172.9	-174.3	171.5	0	112.3	K138 Q139 C140 R144	K138-K142 WeakPolarHBondContact O-CG 3.44Å; K138-K142 PolarHBondContact O-N 3.3Å; Q139-K142 WeakPolarHBondContact O-CB 3.43Å; Q139-K142 PolarHBondContact O-N 2.96Å; Q139-K142 VanDerWaalsContact O-N 3.12Å; C140-K142 VanDerWaalsContact C-N 3.27Å; C140-K142 PolarHBondContact O-N 3.48Å; K142-R144 PolarHBondContact O-N 2.96Å
143	R	96.1	Very high	96.4	Very high	98 Å²	98	63.4 Å²	63.4	37%	0.37	29%	0.292	S	S	.	.			trans	-94.4	66.1	-178.5	-65.7	-60.4	-60.1	-87.1	0.5	111.4	Q139 C140 D145 M146 F147 F227	Q139-R143 PolarHBondContact O-N 3.15Å; C140-R143 CarbonylContact O-C 3.54Å; C140-R143 PolarHBondContact O-N 2.98Å; R143-D145 VanDerWaalsContact C-OD1 3.32Å; R143-D145 VanDerWaalsContact CA-OD1 3.3Å; R143-D145 WeakPolarHBondContact CA-OD1 3.27Å; R143-D145 IonicContact CZ-OD1 2.85Å; R143-D145 IonicContact CZ-OD2 3.6Å; R143-D145 IonicContact NE-OD1 3.74Å; R143-D145 PolarHBondContact NE-OD1 3.15Å; R143-D145 IonicContact NE-OD2 3.56Å; R143-D145 PolarHBondContact NE-OD2 3.33Å; R143-D145 IonicContact NH2-OD1 3.37Å; R143-D145 IonicContact NH2-OD2 2.71Å; R143-D145 PolarHBondContact NH2-OD2 2.71Å; R143-D145 PolarHBondContact O-N 3.07Å; R143-D145 VanDerWaalsContact O-N 3.16Å; R143-M146 HydrophobicContact CB-CB 4.16Å; R143-M146 HydrophobicContact CB-CG 4.36Å; R143-M146 HydrophobicContact CB-SD 4.46Å; R143-M146 PolarHBondContact NH2-SD 3.5Å; R143-M146 PolarHBondContact O-N 3.44Å; R143-F147 HydrophobicContact CB-CD2 4.21Å; R143-F147 PolarHBondContact O-N 2.84Å; R143-F227 HydrophobicContact CG-CE2 3.73Å; R143-F227 HydrophobicContact CG-CZ 4.27Å
144	R	95.1	Very high	96.2	Very high	140 Å²	140	65 Å²	65	53%	0.528	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.1	175.3	-60.9	-60.4	-175.7	-158.3	4.9	113.4	R141 K142 M146 D149	R141-R144 PolarHBondContact O-NE 2.87Å; R141-R144 VanDerWaalsContact O-NE 3.09Å; R141-R144 PolarHBondContact O-NH1 2.85Å; K142-R144 PolarHBondContact O-N 2.96Å; R144-M146 VanDerWaalsContact C-N 3.31Å; R144-D149 IonicContact CZ-OD1 2.96Å; R144-D149 IonicContact NH1-OD1 2.85Å; R144-D149 PolarHBondContact NH1-OD1 3.11Å; R144-D149 IonicContact NH2-OD1 3.97Å
145	D	96.1	Very high	96.3	Very high	117 Å²	117	61.6 Å²	61.6	63%	0.626	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-20	172.9	63.1	-54.9	0	0	0	113.4	R143	R143-D145 VanDerWaalsContact C-OD1 3.32Å; R143-D145 VanDerWaalsContact CA-OD1 3.3Å; R143-D145 WeakPolarHBondContact CA-OD1 3.27Å; R143-D145 IonicContact CZ-OD1 2.85Å; R143-D145 IonicContact CZ-OD2 3.6Å; R143-D145 IonicContact NE-OD1 3.74Å; R143-D145 PolarHBondContact NE-OD1 3.15Å; R143-D145 IonicContact NE-OD2 3.56Å; R143-D145 PolarHBondContact NE-OD2 3.33Å; R143-D145 IonicContact NH2-OD1 3.37Å; R143-D145 IonicContact NH2-OD2 2.71Å; R143-D145 PolarHBondContact NH2-OD2 2.71Å; R143-D145 PolarHBondContact O-N 3.07Å; R143-D145 VanDerWaalsContact O-N 3.16Å
146	M	96.8	Very high	96.5	Very high	16 Å²	16	61.6 Å²	61.6	8%	0.079	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-35.6	-179.3	-65	-175.3	65.2	0	0	113.1	R143 R144 R223 Y224 F227	R143-M146 HydrophobicContact CB-CB 4.16Å; R143-M146 HydrophobicContact CB-CG 4.36Å; R143-M146 HydrophobicContact CB-SD 4.46Å; R143-M146 PolarHBondContact NH2-SD 3.5Å; R143-M146 PolarHBondContact O-N 3.44Å; R144-M146 VanDerWaalsContact C-N 3.31Å; M146-R223 HydrophobicContact CE-CB 4.41Å; M146-Y224 HydrophobicContact CB-CE1 4.15Å; M146-Y224 HydrophobicContact CE-CD1 3.8Å; M146-Y224 HydrophobicContact CE-CE1 3.87Å; M146-Y224 HydrophobicContact CE-CG 4.15Å; M146-Y224 PolarHBondContact O-OH 3.07Å; M146-F227 HydrophobicContact CE-CB 3.99Å; M146-F227 HydrophobicContact CE-CD2 4.49Å; M146-F227 HydrophobicContact CE-CG 4.15Å; M146-F227 HydrophobicContact SD-CD2 4.19Å; M146-F227 HydrophobicContact SD-CG 4.44Å
147	F	97.6	Very high	96.4	Very high	1 Å²	1	62.9 Å²	62.9	0%	0.004	30%	0.298	C	S	.	.			trans	-123.4	124.5	-174.5	-57.7	-85	0	0	0	111.1	C140 R143 L152 L218 Y224 F227 F228	C140-F147 HydrophobicContact CB-CD1 4.49Å; C140-F147 HydrophobicContact CB-CD2 3.75Å; C140-F147 HydrophobicContact CB-CE2 3.96Å; C140-F147 HydrophobicContact CB-CG 4.04Å; C140-F147 HydrophobicContact CB-CZ 4.4Å; R143-F147 HydrophobicContact CB-CD2 4.21Å; R143-F147 PolarHBondContact O-N 2.84Å; F147-L152 HydrophobicContact CB-CD2 3.75Å; F147-L152 HydrophobicContact CB-CG 4.09Å; F147-L152 HydrophobicContact CD1-CD2 4.39Å; F147-L152 HydrophobicContact CG-CD2 4.14Å; F147-L218 HydrophobicContact CD1-CD1 4.43Å; F147-L218 HydrophobicContact CE1-CD1 4.01Å; F147-Y224 HydrophobicContact CD1-CE1 4.2Å; F147-Y224 AromaticContact CE1-CD1 3.75Å; F147-Y224 HydrophobicContact CE1-CD1 3.75Å; F147-Y224 AromaticContact CE1-CE1 3.7Å; F147-Y224 HydrophobicContact CE1-CE1 3.7Å; F147-Y224 HydrophobicContact CE2-CE1 4.42Å; F147-Y224 AromaticContact CZ-CD1 3.67Å; F147-Y224 HydrophobicContact CZ-CD1 3.67Å; F147-Y224 AromaticContact CZ-CE1 3.83Å; F147-Y224 HydrophobicContact CZ-CE1 3.83Å; F147-F227 AromaticContact CE2-CD1 3.89Å; F147-F227 HydrophobicContact CE2-CD1 3.89Å; F147-F227 AromaticContact CE2-CE1 3.53Å; F147-F227 HydrophobicContact CE2-CE1 3.53Å; F147-F227 AromaticContact CE2-CZ 3.93Å; F147-F227 HydrophobicContact CE2-CZ 3.93Å; F147-F227 AromaticContact CZ-CD1 3.84Å; F147-F227 HydrophobicContact CZ-CD1 3.84Å; F147-F227 AromaticContact CZ-CE1 3.75Å; F147-F227 HydrophobicContact CZ-CE1 3.75Å; F147-F228 HydrophobicContact CE1-CE1 4.37Å; F147-F228 AromaticContact CE1-CZ 3.82Å; F147-F228 HydrophobicContact CE1-CZ 3.82Å; F147-F228 HydrophobicContact CZ-CE1 4.07Å; F147-F228 AromaticContact CZ-CZ 3.84Å; F147-F228 HydrophobicContact CZ-CZ 3.84Å
148	S	97.3	Very high	96.4	Very high	56 Å²	56	63 Å²	63	39%	0.392	30%	0.299	S	S	.	.			trans	-78.2	158	167.2	74.9	0	0	0	0	111.1	E150 Q151 L152	S148-E150 PolarHBondContact O-N 2.85Å; S148-Q151 PolarHBondContact O-N 3.12Å; S148-Q151 VanDerWaalsContact O-N 3.16Å; S148-Q151 WeakPolarHBondContact OG-CG 3.37Å; S148-Q151 PolarHBondContact OG-N 3.42Å; S148-Q151 VanDerWaalsContact OG-N 3.16Å; S148-Q151 PolarHBondContact OG-OE1 2.9Å; S148-L152 WeakPolarHBondContact O-CG 3.33Å; S148-L152 PolarHBondContact O-N 2.95Å
149	D	96.1	Very high	96.5	Very high	107 Å²	107	57.6 Å²	57.6	57%	0.572	28%	0.275	S	S	*	.	H	α-helix	trans	-62.5	-30.4	177.4	-67.3	-41.4	0	0	0	112.2	R144 L152 K153	R144-D149 IonicContact CZ-OD1 2.96Å; R144-D149 IonicContact NH1-OD1 2.85Å; R144-D149 PolarHBondContact NH1-OD1 3.11Å; R144-D149 IonicContact NH2-OD1 3.97Å; D149-L152 PolarHBondContact O-N 2.82Å; D149-K153 WeakPolarHBondContact O-CB 3.48Å; D149-K153 PolarHBondContact O-N 3.32Å
150	E	94.1	Very high	96.5	Very high	124 Å²	124	57 Å²	57	58%	0.579	27%	0.273	S	S	*	.	H	α-helix	trans	-66.3	-44.6	173.5	-172.7	59.8	-155.3	0	0	111.7	S148 L152 K153 V154	S148-E150 PolarHBondContact O-N 2.85Å; E150-L152 VanDerWaalsContact C-N 3.29Å; E150-L152 PolarHBondContact O-N 3.09Å; E150-K153 PolarHBondContact O-N 3.07Å; E150-V154 WeakPolarHBondContact O-CG2 3.29Å; E150-V154 PolarHBondContact O-N 3.47Å
151	Q	95.4	Very high	96.6	Very high	39 Å²	39	60.5 Å²	60.5	18%	0.182	29%	0.291	C	S	.	.	H	α-helix	trans	-62.2	-39.3	175.8	-73.5	175.2	-52.6	0	0	111.6	S148 K153 V154 I155 E214	S148-Q151 PolarHBondContact O-N 3.12Å; S148-Q151 VanDerWaalsContact O-N 3.16Å; S148-Q151 WeakPolarHBondContact OG-CG 3.37Å; S148-Q151 PolarHBondContact OG-N 3.42Å; S148-Q151 VanDerWaalsContact OG-N 3.16Å; S148-Q151 PolarHBondContact OG-OE1 2.9Å; Q151-K153 VanDerWaalsContact C-N 3.34Å; Q151-V154 PolarHBondContact O-N 2.71Å; Q151-I155 WeakPolarHBondContact O-CB 3.27Å; Q151-I155 WeakPolarHBondContact O-CD1 3.32Å; Q151-I155 WeakPolarHBondContact O-CG1 3.34Å; Q151-I155 PolarHBondContact O-N 3.49Å; Q151-E214 PolarHBondContact NE2-OE1 2.86Å
152	L	97.3	Very high	96.6	Very high	11 Å²	11	56 Å²	56	6%	0.058	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-42.8	175.7	-64	177.9	0	0	0	111.5	C140 R141 F147 S148 D149 E150 F156	C140-L152 HydrophobicContact CB-CD2 3.44Å; C140-L152 VanDerWaalsContact CB-CD2 3.44Å; R141-L152 HydrophobicContact CG-CD1 3.69Å; F147-L152 HydrophobicContact CB-CD2 3.75Å; F147-L152 HydrophobicContact CB-CG 4.09Å; F147-L152 HydrophobicContact CD1-CD2 4.39Å; F147-L152 HydrophobicContact CG-CD2 4.14Å; S148-L152 WeakPolarHBondContact O-CG 3.33Å; S148-L152 PolarHBondContact O-N 2.95Å; D149-L152 PolarHBondContact O-N 2.82Å; E150-L152 VanDerWaalsContact C-N 3.29Å; E150-L152 PolarHBondContact O-N 3.09Å; L152-F156 HydrophobicContact CD2-CD2 4.23Å; L152-F156 HydrophobicContact CD2-CE2 4.04Å; L152-F156 WeakPolarHBondContact O-CB 3.36Å; L152-F156 PolarHBondContact O-N 3.38Å
153	K	95.7	Very high	96.7	Very high	130 Å²	130	51.9 Å²	51.9	57%	0.565	26%	0.255	S	S	*	.	H	α-helix	trans	-62.9	-43.9	176.9	-174.3	-179.7	177.9	-175.7	0	111.8	D149 E150 Q151 G157	D149-K153 WeakPolarHBondContact O-CB 3.48Å; D149-K153 PolarHBondContact O-N 3.32Å; E150-K153 PolarHBondContact O-N 3.07Å; Q151-K153 VanDerWaalsContact C-N 3.34Å; K153-G157 WeakPolarHBondContact O-CA 3.4Å; K153-G157 PolarHBondContact O-N 3.21Å
154	V	93.8	Very high	96.8	Very high	42 Å²	42	54.5 Å²	54.5	26%	0.255	27%	0.265	S	S	.	.	H	α-helix	trans	-65.6	-47.1	178.2	171.7	0	0	0	0	111.5	E150 Q151 D210 A211 E214	E150-V154 WeakPolarHBondContact O-CG2 3.29Å; E150-V154 PolarHBondContact O-N 3.47Å; Q151-V154 PolarHBondContact O-N 2.71Å; V154-D210 HydrophobicContact CG1-CB 4.11Å; V154-A211 VanDerWaalsContact O-CB 3.31Å; V154-A211 WeakPolarHBondContact O-CB 3.37Å; V154-E214 HydrophobicContact CG1-CB 3.97Å
155	I	96.3	Very high	97	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-72.5	-43	-174	-66.4	166.1	0	0	0	112.1	Q151 A211 E214 L215 L218 L246	Q151-I155 WeakPolarHBondContact O-CB 3.27Å; Q151-I155 WeakPolarHBondContact O-CD1 3.32Å; Q151-I155 WeakPolarHBondContact O-CG1 3.34Å; Q151-I155 PolarHBondContact O-N 3.49Å; I155-A211 WeakPolarHBondContact O-CB 3.35Å; I155-E214 HydrophobicContact CD1-CG 4.13Å; I155-E214 HydrophobicContact CG1-CB 4.23Å; I155-E214 HydrophobicContact CG1-CG 4.04Å; I155-L215 HydrophobicContact CD1-CD2 4.33Å; I155-L215 HydrophobicContact CG1-CD2 4.44Å; I155-L215 HydrophobicContact CG1-CG 4.36Å; I155-L215 HydrophobicContact CG2-CD1 4.17Å; I155-L215 HydrophobicContact CG2-CD2 3.82Å; I155-L215 HydrophobicContact CG2-CG 3.96Å; I155-L218 HydrophobicContact CD1-CD1 3.57Å; I155-L246 HydrophobicContact CG2-CD1 4.1Å
156	F	97.6	Very high	97.1	Very high	3 Å²	3	43.6 Å²	43.6	1%	0.013	22%	0.216	C	C	.	.	H	α-helix	trans	-105.2	-15.8	-170.7	-64.3	-78.5	0	0	0	113.8	I132 L137 C140 L152 N158 I159 I242 L246	I132-F156 HydrophobicContact CG2-CD1 4.3Å; I132-F156 HydrophobicContact CG2-CE1 4.34Å; L137-F156 HydrophobicContact CB-CD1 4.22Å; L137-F156 HydrophobicContact CB-CE1 4.23Å; L137-F156 HydrophobicContact CB-CG 4.42Å; L137-F156 HydrophobicContact CB-CZ 4.44Å; L137-F156 HydrophobicContact CD1-CB 4.09Å; L137-F156 HydrophobicContact CD1-CD1 4.42Å; L137-F156 HydrophobicContact CD1-CD2 3.58Å; L137-F156 HydrophobicContact CD1-CE2 4.07Å; L137-F156 HydrophobicContact CD1-CG 3.78Å; C140-F156 HydrophobicContact CB-CE2 4.29Å; L152-F156 HydrophobicContact CD2-CD2 4.23Å; L152-F156 HydrophobicContact CD2-CE2 4.04Å; L152-F156 WeakPolarHBondContact O-CB 3.36Å; L152-F156 PolarHBondContact O-N 3.38Å; F156-N158 PolarHBondContact O-N 3.35Å; F156-I159 HydrophobicContact CB-CG2 3.9Å; F156-I159 HydrophobicContact CD1-CG2 4.42Å; F156-I159 VanDerWaalsContact O-CB 3.23Å; F156-I159 WeakPolarHBondContact O-CB 3.35Å; F156-I159 VanDerWaalsContact O-CG2 3.27Å; F156-I159 WeakPolarHBondContact O-CG2 3.5Å; F156-I159 PolarHBondContact O-N 3.29Å; F156-I159 VanDerWaalsContact O-N 3.09Å; F156-I242 HydrophobicContact CE1-CD1 4.14Å; F156-I242 HydrophobicContact CZ-CD1 4.07Å; F156-L246 HydrophobicContact CD1-CD2 4.01Å; F156-L246 HydrophobicContact CE1-CD2 4.4Å
157	G	96.3	Very high	97.1	Very high	28 Å²	28	47.3 Å²	47.3	29%	0.289	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	-132.8	-179.6	0	0	0	0	0	112.7	K153	K153-G157 WeakPolarHBondContact O-CA 3.4Å; K153-G157 PolarHBondContact O-N 3.21Å
158	N	97.5	Very high	97.2	Very high	8 Å²	8	48 Å²	48	4%	0.043	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	28	177.2	68.1	-15.6	0	0	0	113.1	F156 E160 D161 I162 I200 E203 Y204	F156-N158 PolarHBondContact O-N 3.35Å; N158-E160 PolarHBondContact O-N 2.63Å; N158-E160 VanDerWaalsContact O-N 3.13Å; N158-D161 HydrophobicContact CB-CB 4.45Å; N158-D161 WeakPolarHBondContact O-CB 3.46Å; N158-D161 PolarHBondContact O-N 2.85Å; N158-I162 PolarHBondContact O-N 2.76Å; N158-I162 VanDerWaalsContact O-N 3.14Å; N158-I200 PolarHBondContact ND2-O 3.06Å; N158-E203 PolarHBondContact ND2-OE2 3.03Å; N158-Y204 WeakPolarHBondContact OD1-CB 3.46Å; N158-Y204 WeakPolarHBondContact OD1-CD2 3.27Å
159	I	98.2	Very high	97.2	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-56.8	-31.4	-177	-165.8	62.3	0	0	0	113.9	L129 I132 L137 F156 D161 I162 Y163 Y204 P249	L129-I159 HydrophobicContact CD2-CD1 3.54Å; L129-I159 HydrophobicContact CD2-CG1 4.28Å; I132-I159 HydrophobicContact CG2-CG1 4.12Å; L137-I159 HydrophobicContact CD2-CG2 4.23Å; F156-I159 HydrophobicContact CB-CG2 3.9Å; F156-I159 HydrophobicContact CD1-CG2 4.42Å; F156-I159 VanDerWaalsContact O-CB 3.23Å; F156-I159 WeakPolarHBondContact O-CB 3.35Å; F156-I159 VanDerWaalsContact O-CG2 3.27Å; F156-I159 WeakPolarHBondContact O-CG2 3.5Å; F156-I159 PolarHBondContact O-N 3.29Å; F156-I159 VanDerWaalsContact O-N 3.09Å; I159-D161 VanDerWaalsContact C-N 3.33Å; I159-I162 HydrophobicContact CD1-CD1 4.33Å; I159-I162 PolarHBondContact O-N 3.47Å; I159-Y163 PolarHBondContact O-N 3.36Å; I159-Y204 HydrophobicContact CB-CE2 3.98Å; I159-Y204 HydrophobicContact CD1-CD2 4.46Å; I159-Y204 HydrophobicContact CD1-CE2 3.72Å; I159-Y204 HydrophobicContact CG1-CE2 4.35Å; I159-P249 HydrophobicContact CD1-CG 3.55Å
160	E	98.2	Very high	97.3	Very high	50 Å²	50	40.6 Å²	40.6	23%	0.234	20%	0.198	C	C	.	.	H	α-helix	trans	-67.9	-34	175.7	-74.5	-169.9	140.6	0	0	112.4	L137 R141 N158 Y163 R164	L137-E160 HydrophobicContact CD2-CG 3.43Å; L137-E160 VanDerWaalsContact CD2-CG 3.43Å; R141-E160 IonicContact CZ-OE1 2.73Å; R141-E160 IonicContact CZ-OE2 3.81Å; R141-E160 IonicContact NH1-OE1 3.36Å; R141-E160 PolarHBondContact NH1-OE1 3.02Å; R141-E160 IonicContact NH1-OE2 3.31Å; R141-E160 PolarHBondContact NH1-OE2 3.3Å; R141-E160 VanDerWaalsContact NH1-OE2 3.1Å; R141-E160 IonicContact NH2-OE1 3.03Å; R141-E160 IonicContact NH2-OE2 2.89Å; R141-E160 PolarHBondContact NH2-OE2 3.23Å; N158-E160 PolarHBondContact O-N 2.63Å; N158-E160 VanDerWaalsContact O-N 3.13Å; E160-Y163 PolarHBondContact O-N 2.96Å; E160-R164 VanDerWaalsContact O-CG 3.31Å; E160-R164 WeakPolarHBondContact O-CG 3.26Å; E160-R164 PolarHBondContact O-N 3.15Å
161	D	98.3	Very high	97.5	Very high	72 Å²	72	40.9 Å²	40.9	39%	0.385	19%	0.194	S	C	.	.	H	α-helix	trans	-73.7	-38.5	177.9	-64.1	-34.4	0	0	0	110.4	N158 I159 Y163 R164 F165	N158-D161 HydrophobicContact CB-CB 4.45Å; N158-D161 WeakPolarHBondContact O-CB 3.46Å; N158-D161 PolarHBondContact O-N 2.85Å; I159-D161 VanDerWaalsContact C-N 3.33Å; D161-Y163 VanDerWaalsContact C-N 3.31Å; D161-Y163 PolarHBondContact O-N 3.41Å; D161-R164 PolarHBondContact O-N 2.82Å; D161-R164 IonicContact OD1-CZ 2.87Å; D161-R164 IonicContact OD1-NH1 2.77Å; D161-R164 PolarHBondContact OD1-NH1 3.42Å; D161-F165 WeakPolarHBondContact O-CB 3.39Å; D161-F165 PolarHBondContact O-N 3.41Å
162	I	98.5	Very high	97.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.5	-45.9	169	-63.3	172.6	0	0	0	110.6	L129 N158 I159 R164 F165 Q166 I200 Y201 Y204 P249	L129-I162 HydrophobicContact CD1-CG2 4.01Å; L129-I162 HydrophobicContact CD2-CG2 4.27Å; N158-I162 PolarHBondContact O-N 2.76Å; N158-I162 VanDerWaalsContact O-N 3.14Å; I159-I162 HydrophobicContact CD1-CD1 4.33Å; I159-I162 PolarHBondContact O-N 3.47Å; I162-R164 PolarHBondContact O-N 2.92Å; I162-F165 PolarHBondContact O-N 3.24Å; I162-Q166 VanDerWaalsContact O-CB 3.23Å; I162-Q166 WeakPolarHBondContact O-CB 3.41Å; I162-Q166 PolarHBondContact O-N 3.03Å; I162-I200 HydrophobicContact CG1-CD1 4.1Å; I162-I200 HydrophobicContact CG1-CG1 4.07Å; I162-Y201 HydrophobicContact CD1-CD1 4.43Å; I162-Y201 HydrophobicContact CD1-CE1 4.48Å; I162-Y201 HydrophobicContact CG2-CE1 4.01Å; I162-Y201 HydrophobicContact CG2-CE2 4.08Å; I162-Y201 WeakPolarHBondContact CG2-OH 3.25Å; I162-Y204 HydrophobicContact CD1-CD1 4.22Å; I162-Y204 HydrophobicContact CD1-CD2 3.57Å; I162-Y204 HydrophobicContact CD1-CE2 4.31Å; I162-Y204 HydrophobicContact CD1-CG 3.51Å; I162-P249 HydrophobicContact CD1-CB 4.19Å
163	Y	98.6	Very high	97.7	Very high	44 Å²	44	39.7 Å²	39.7	17%	0.173	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-45	177.6	178.8	-132.8	0	0	0	112.6	I126 L129 K130 C133 I159 E160 D161 Q166 M167	I126-Y163 HydrophobicContact CD1-CE2 4.46Å; I126-Y163 HydrophobicContact CG1-CD2 4.14Å; I126-Y163 HydrophobicContact CG1-CE2 3.75Å; L129-Y163 HydrophobicContact CB-CD2 3.6Å; L129-Y163 HydrophobicContact CB-CE2 4.42Å; L129-Y163 HydrophobicContact CB-CG 4.13Å; L129-Y163 HydrophobicContact CD1-CD2 4.38Å; K130-Y163 HydrophobicContact CB-CE2 3.87Å; C133-Y163 HydrophobicContact CB-CD1 4.4Å; I159-Y163 PolarHBondContact O-N 3.36Å; E160-Y163 PolarHBondContact O-N 2.96Å; D161-Y163 VanDerWaalsContact C-N 3.31Å; D161-Y163 PolarHBondContact O-N 3.41Å; Y163-Q166 PolarHBondContact O-N 3.19Å; Y163-M167 HydrophobicContact CD1-SD 4.41Å; Y163-M167 HydrophobicContact CD2-CG 4.25Å; Y163-M167 HydrophobicContact CE1-SD 3.95Å; Y163-M167 HydrophobicContact CE2-CG 3.9Å; Y163-M167 HydrophobicContact CE2-SD 4.12Å; Y163-M167 WeakPolarHBondContact O-CG 3.45Å; Y163-M167 PolarHBondContact O-N 3.48Å
164	R	98.5	Very high	97.8	Very high	153 Å²	153	37.9 Å²	37.9	58%	0.577	18%	0.182	S	C	*	.	H	α-helix	trans	-62.1	-44.5	176.7	-71.8	168.5	-174.6	156	0.6	112.4	E160 D161 I162 M167 G168	E160-R164 VanDerWaalsContact O-CG 3.31Å; E160-R164 WeakPolarHBondContact O-CG 3.26Å; E160-R164 PolarHBondContact O-N 3.15Å; D161-R164 PolarHBondContact O-N 2.82Å; D161-R164 IonicContact OD1-CZ 2.87Å; D161-R164 IonicContact OD1-NH1 2.77Å; D161-R164 PolarHBondContact OD1-NH1 3.42Å; I162-R164 PolarHBondContact O-N 2.92Å; R164-M167 PolarHBondContact O-N 3.28Å; R164-G168 PolarHBondContact O-N 2.88Å
165	F	98.5	Very high	98	Very high	29 Å²	29	42.2 Å²	42.2	13%	0.127	20%	0.197	C	C	.	.	H	α-helix	trans	-58.9	-50.2	174.6	165.7	-100.2	0	0	0	110.8	D161 I162 M167 G168 F169 H194 F198 I200 Y201	D161-F165 WeakPolarHBondContact O-CB 3.39Å; D161-F165 PolarHBondContact O-N 3.41Å; I162-F165 PolarHBondContact O-N 3.24Å; F165-M167 VanDerWaalsContact C-N 3.27Å; F165-M167 PolarHBondContact O-N 2.97Å; F165-G168 PolarHBondContact O-N 3.35Å; F165-F169 HydrophobicContact CE1-CB 4.47Å; F165-F169 HydrophobicContact CZ-CB 4.43Å; F165-F169 PolarHBondContact O-N 2.84Å; F165-H194 HydrophobicContact CE2-CB 3.95Å; F165-H194 AromaticContact CE2-CD2 3.92Å; F165-H194 HydrophobicContact CZ-CB 4.07Å; F165-F198 AromaticContact CE1-CD1 3.69Å; F165-F198 HydrophobicContact CE1-CD1 3.69Å; F165-F198 AromaticContact CE1-CE1 3.64Å; F165-F198 HydrophobicContact CE1-CE1 3.64Å; F165-F198 HydrophobicContact CE1-CG 4.29Å; F165-F198 HydrophobicContact CE1-CZ 4.2Å; F165-F198 AromaticContact CZ-CD1 3.78Å; F165-F198 HydrophobicContact CZ-CD1 3.78Å; F165-F198 HydrophobicContact CZ-CD2 4.08Å; F165-F198 AromaticContact CZ-CE1 3.74Å; F165-F198 HydrophobicContact CZ-CE1 3.74Å; F165-F198 HydrophobicContact CZ-CE2 4.04Å; F165-F198 AromaticContact CZ-CG 3.95Å; F165-F198 HydrophobicContact CZ-CG 3.95Å; F165-F198 AromaticContact CZ-CZ 3.88Å; F165-F198 HydrophobicContact CZ-CZ 3.88Å; F165-I200 HydrophobicContact CB-CD1 3.59Å; F165-I200 HydrophobicContact CD1-CD1 4.25Å; F165-I200 HydrophobicContact CG-CD1 3.92Å; F165-Y201 HydrophobicContact CD1-CE2 4.21Å; F165-Y201 HydrophobicContact CE1-CE2 4.18Å
166	Q	98.3	Very high	98.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.6	-36	-178.2	-168.2	65.3	25.3	0	0	112.2	E122 Y125 I126 L129 I162 Y163 G168 F169 V170	E122-Q166 PolarHBondContact OE2-NE2 3.09Å; Y125-Q166 HydrophobicContact CD1-CG 3.98Å; Y125-Q166 HydrophobicContact CE1-CG 3.97Å; I126-Q166 HydrophobicContact CB-CG 4.1Å; I126-Q166 HydrophobicContact CD1-CG 4.47Å; I126-Q166 HydrophobicContact CG1-CG 4.24Å; L129-Q166 HydrophobicContact CD1-CB 3.75Å; L129-Q166 HydrophobicContact CD1-CG 3.84Å; I162-Q166 VanDerWaalsContact O-CB 3.23Å; I162-Q166 WeakPolarHBondContact O-CB 3.41Å; I162-Q166 PolarHBondContact O-N 3.03Å; Y163-Q166 PolarHBondContact O-N 3.19Å; Q166-G168 VanDerWaalsContact C-N 3.33Å; Q166-G168 PolarHBondContact O-N 3.26Å; Q166-F169 PolarHBondContact O-N 3.44Å; Q166-V170 HydrophobicContact CG-CG2 4.16Å; Q166-V170 WeakPolarHBondContact O-CB 3.2Å; Q166-V170 VanDerWaalsContact O-CG2 3.29Å; Q166-V170 WeakPolarHBondContact O-CG2 3.49Å; Q166-V170 PolarHBondContact O-N 2.88Å
167	M	98.1	Very high	98.1	Very high	94 Å²	94	47.8 Å²	47.8	46%	0.463	22%	0.222	S	C	.	.	H	α-helix	trans	-58.9	-42.1	173.1	-72.8	174.2	64.9	0	0	112.8	I126 Y163 R164 F165 R171	I126-M167 HydrophobicContact CD1-CB 4.28Å; I126-M167 HydrophobicContact CD1-CG 3.82Å; Y163-M167 HydrophobicContact CD1-SD 4.41Å; Y163-M167 HydrophobicContact CD2-CG 4.25Å; Y163-M167 HydrophobicContact CE1-SD 3.95Å; Y163-M167 HydrophobicContact CE2-CG 3.9Å; Y163-M167 HydrophobicContact CE2-SD 4.12Å; Y163-M167 WeakPolarHBondContact O-CG 3.45Å; Y163-M167 PolarHBondContact O-N 3.48Å; R164-M167 PolarHBondContact O-N 3.28Å; F165-M167 VanDerWaalsContact C-N 3.27Å; F165-M167 PolarHBondContact O-N 2.97Å; M167-R171 VanDerWaalsContact O-CB 3.31Å; M167-R171 WeakPolarHBondContact O-CB 3.26Å; M167-R171 PolarHBondContact O-N 3.45Å
168	G	97.9	Very high	98.1	Very high	15 Å²	15	48.9 Å²	48.9	16%	0.155	22%	0.221	C	C	.	.	H	α-helix	trans	-66.5	-49.1	175.9	0	0	0	0	0	111.5	R164 F165 Q166 V170 R171 D172	R164-G168 PolarHBondContact O-N 2.88Å; F165-G168 PolarHBondContact O-N 3.35Å; Q166-G168 VanDerWaalsContact C-N 3.33Å; Q166-G168 PolarHBondContact O-N 3.26Å; G168-V170 PolarHBondContact O-N 3.37Å; G168-R171 WeakPolarHBondContact O-CB 3.47Å; G168-R171 PolarHBondContact O-N 3.44Å; G168-D172 PolarHBondContact O-N 3.47Å
169	F	98.6	Very high	98	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.5	-48.4	-178.9	-179.7	-117.4	0	0	0	112.8	E122 F165 Q166 R171 D172 L173 C190 F191 H194 F198 Y256	E122-F169 WeakPolarHBondContact OE2-CE1 3.36Å; F165-F169 HydrophobicContact CE1-CB 4.47Å; F165-F169 HydrophobicContact CZ-CB 4.43Å; F165-F169 PolarHBondContact O-N 2.84Å; Q166-F169 PolarHBondContact O-N 3.44Å; F169-R171 PolarHBondContact O-N 3.11Å; F169-D172 PolarHBondContact O-N 3.4Å; F169-L173 HydrophobicContact CD1-CD1 3.97Å; F169-L173 HydrophobicContact CE1-CD1 3.45Å; F169-L173 VanDerWaalsContact CE1-CD1 3.45Å; F169-L173 HydrophobicContact CE1-CG 4.32Å; F169-L173 HydrophobicContact CE2-CD1 4.17Å; F169-L173 HydrophobicContact CE2-CG 4.19Å; F169-L173 HydrophobicContact CZ-CD1 3.55Å; F169-L173 HydrophobicContact CZ-CD2 4.36Å; F169-L173 HydrophobicContact CZ-CG 4.04Å; F169-L173 PolarHBondContact O-N 3.38Å; F169-C190 HydrophobicContact CE2-CB 4.24Å; F169-F191 HydrophobicContact CE1-CE1 4.37Å; F169-F191 HydrophobicContact CE1-CZ 4.4Å; F169-F191 HydrophobicContact CE2-CD1 4.27Å; F169-F191 HydrophobicContact CE2-CD2 4.47Å; F169-F191 HydrophobicContact CE2-CE1 4.43Å; F169-F191 HydrophobicContact CE2-CG 4.31Å; F169-F191 AromaticContact CZ-CD1 3.87Å; F169-F191 HydrophobicContact CZ-CD1 3.87Å; F169-F191 HydrophobicContact CZ-CD2 4.22Å; F169-F191 AromaticContact CZ-CE1 3.59Å; F169-F191 HydrophobicContact CZ-CE1 3.59Å; F169-F191 AromaticContact CZ-CE2 3.95Å; F169-F191 HydrophobicContact CZ-CE2 3.95Å; F169-F191 HydrophobicContact CZ-CG 4.19Å; F169-F191 AromaticContact CZ-CZ 3.64Å; F169-F191 HydrophobicContact CZ-CZ 3.64Å; F169-H194 HydrophobicContact CD2-CB 4.02Å; F169-H194 AromaticContact CD2-CG 3.84Å; F169-F198 HydrophobicContact CD1-CZ 4.5Å; F169-F198 HydrophobicContact CD2-CZ 4.27Å; F169-F198 HydrophobicContact CE1-CZ 4.19Å; F169-F198 AromaticContact CE2-CZ 3.97Å; F169-F198 HydrophobicContact CE2-CZ 3.97Å; F169-F198 AromaticContact CZ-CZ 3.93Å; F169-F198 HydrophobicContact CZ-CZ 3.93Å; F169-Y256 HydrophobicContact CE1-CE1 4.18Å
170	V	98.5	Very high	97.9	Very high	7 Å²	7	61.6 Å²	61.6	4%	0.042	29%	0.289	C	S	.	.	H	α-helix	trans	-63.8	-41.6	178.2	174.6	0	0	0	0	111.6	E122 I126 Q166 G168 D172 L173 E174	E122-V170 HydrophobicContact CB-CG2 3.97Å; I126-V170 HydrophobicContact CB-CG2 4.43Å; I126-V170 HydrophobicContact CD1-CB 4.26Å; I126-V170 HydrophobicContact CD1-CG2 4.2Å; Q166-V170 HydrophobicContact CG-CG2 4.16Å; Q166-V170 WeakPolarHBondContact O-CB 3.2Å; Q166-V170 VanDerWaalsContact O-CG2 3.29Å; Q166-V170 WeakPolarHBondContact O-CG2 3.49Å; Q166-V170 PolarHBondContact O-N 2.88Å; G168-V170 PolarHBondContact O-N 3.37Å; V170-D172 VanDerWaalsContact C-N 3.26Å; V170-D172 PolarHBondContact O-N 3.5Å; V170-L173 PolarHBondContact O-N 2.89Å; V170-E174 HydrophobicContact CG1-CG 4.29Å; V170-E174 WeakPolarHBondContact O-CB 3.37Å; V170-E174 WeakPolarHBondContact O-CG 3.5Å; V170-E174 PolarHBondContact O-N 2.84Å
171	R	98.4	Very high	97.8	Very high	131 Å²	131	62.8 Å²	62.8	49%	0.494	30%	0.297	S	S	.	.	H	α-helix	trans	-57.9	-42.2	176.4	177.5	-161.5	68.1	-156.3	-8.1	111.3	M167 G168 F169 E174 K175	M167-R171 VanDerWaalsContact O-CB 3.31Å; M167-R171 WeakPolarHBondContact O-CB 3.26Å; M167-R171 PolarHBondContact O-N 3.45Å; G168-R171 WeakPolarHBondContact O-CB 3.47Å; G168-R171 PolarHBondContact O-N 3.44Å; F169-R171 PolarHBondContact O-N 3.11Å; R171-E174 PolarHBondContact O-N 3.42Å; R171-K175 WeakPolarHBondContact O-CG 3.47Å; R171-K175 PolarHBondContact O-N 3.28Å
172	D	98.4	Very high	97.7	Very high	24 Å²	24	60.7 Å²	60.7	13%	0.128	29%	0.288	C	S	.	.	H	α-helix	trans	-78.3	-31.7	-176.7	-62.8	-25.5	0	0	0	111.5	G168 F169 V170 K175 Q176 H194	G168-D172 PolarHBondContact O-N 3.47Å; F169-D172 PolarHBondContact O-N 3.4Å; V170-D172 VanDerWaalsContact C-N 3.26Å; V170-D172 PolarHBondContact O-N 3.5Å; D172-K175 PolarHBondContact O-N 3.29Å; D172-K175 IonicContact OD1-NZ 3.34Å; D172-K175 PolarHBondContact OD1-NZ 3.43Å; D172-Q176 WeakPolarHBondContact O-CG 3.44Å; D172-Q176 PolarHBondContact O-N 3.45Å; D172-H194 IonicContact OD2-CE1 2.7Å; D172-H194 IonicContact OD2-NE2 4Å
173	L	97.9	Very high	97.5	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.5	-44.1	165.2	-77.2	175.3	0	0	0	113	M119 E122 F169 V170 K175 Q176 Y177 I187 C190 F191	M119-L173 HydrophobicContact CE-CB 4.19Å; M119-L173 HydrophobicContact SD-CB 3.96Å; E122-L173 HydrophobicContact CG-CD1 3.69Å; F169-L173 HydrophobicContact CD1-CD1 3.97Å; F169-L173 HydrophobicContact CE1-CD1 3.45Å; F169-L173 VanDerWaalsContact CE1-CD1 3.45Å; F169-L173 HydrophobicContact CE1-CG 4.32Å; F169-L173 HydrophobicContact CE2-CD1 4.17Å; F169-L173 HydrophobicContact CE2-CG 4.19Å; F169-L173 HydrophobicContact CZ-CD1 3.55Å; F169-L173 HydrophobicContact CZ-CD2 4.36Å; F169-L173 HydrophobicContact CZ-CG 4.04Å; F169-L173 PolarHBondContact O-N 3.38Å; V170-L173 PolarHBondContact O-N 2.89Å; L173-K175 PolarHBondContact O-N 2.85Å; L173-Q176 PolarHBondContact O-N 2.89Å; L173-Q176 VanDerWaalsContact O-N 3.12Å; L173-Y177 PolarHBondContact O-N 2.75Å; L173-Y177 VanDerWaalsContact O-N 3.15Å; L173-I187 HydrophobicContact CD2-CB 3.76Å; L173-I187 HydrophobicContact CD2-CG2 3.99Å; L173-C190 HydrophobicContact CD2-CB 3.75Å; L173-C190 HydrophobicContact CG-CB 4.25Å; L173-F191 HydrophobicContact CD2-CE2 4.35Å
174	E	97.6	Very high	97.5	Very high	92 Å²	92	64.1 Å²	64.1	43%	0.43	31%	0.307	S	S	.	.	H	α-helix	trans	-65.2	-28.4	179.4	-75.4	179.9	159.7	0	0	112.6	M119 R123 V170 R171	M119-E174 HydrophobicContact CE-CB 4.16Å; M119-E174 HydrophobicContact CE-CG 3.5Å; M119-E174 VanDerWaalsContact CE-CG 3.5Å; R123-E174 IonicContact NH1-OE1 3.16Å; V170-E174 HydrophobicContact CG1-CG 4.29Å; V170-E174 WeakPolarHBondContact O-CB 3.37Å; V170-E174 WeakPolarHBondContact O-CG 3.5Å; V170-E174 PolarHBondContact O-N 2.84Å; R171-E174 PolarHBondContact O-N 3.42Å
175	K	97.8	Very high	97.5	Very high	133 Å²	133	56.9 Å²	56.9	58%	0.578	28%	0.28	S	S	*	.	H	α-helix	trans	-69.9	-34.9	172.2	-71.3	171.3	-171.9	163	0	113	R171 D172 L173 Y177	R171-K175 WeakPolarHBondContact O-CG 3.47Å; R171-K175 PolarHBondContact O-N 3.28Å; D172-K175 PolarHBondContact O-N 3.29Å; D172-K175 IonicContact OD1-NZ 3.34Å; D172-K175 PolarHBondContact OD1-NZ 3.43Å; L173-K175 PolarHBondContact O-N 2.85Å; K175-Y177 VanDerWaalsContact C-N 3.31Å
176	Q	97.8	Very high	97.5	Very high	74 Å²	74	59 Å²	59	35%	0.346	29%	0.29	S	S	.	.	H	α-helix	trans	-82.7	-9.1	-179.8	-65.3	-61.3	90.9	0	0	113.4	D172 L173 N178 E186 I187 C190	D172-Q176 WeakPolarHBondContact O-CG 3.44Å; D172-Q176 PolarHBondContact O-N 3.45Å; L173-Q176 PolarHBondContact O-N 2.89Å; L173-Q176 VanDerWaalsContact O-N 3.12Å; Q176-N178 PolarHBondContact O-N 3.38Å; Q176-E186 WeakPolarHBondContact CB-O 3.41Å; Q176-E186 PolarHBondContact NE2-O 2.48Å; Q176-I187 HydrophobicContact CB-CG2 4.36Å; Q176-C190 WeakPolarHBondContact CG-SG 3.45Å
177	Y	97.6	Very high	97.5	Very high	49 Å²	49	59 Å²	59	19%	0.192	29%	0.29	C	S	.	.			trans	-72.9	121.2	177.7	-178.4	-97.4	0	0	0	111.1	I115 N116 M119 L173 K175 N179 P182	I115-Y177 HydrophobicContact CG2-CD2 3.84Å; I115-Y177 HydrophobicContact CG2-CE2 3.87Å; N116-Y177 PolarHBondContact OD1-OH 2.71Å; N116-Y177 VanDerWaalsContact OD1-OH 3.11Å; M119-Y177 HydrophobicContact CG-CD2 3.89Å; M119-Y177 HydrophobicContact CG-CE2 4.39Å; L173-Y177 PolarHBondContact O-N 2.75Å; L173-Y177 VanDerWaalsContact O-N 3.15Å; K175-Y177 VanDerWaalsContact C-N 3.31Å; Y177-N179 WeakPolarHBondContact CE1-OD1 3.46Å; Y177-P182 HydrophobicContact CE2-CB 4.12Å; Y177-P182 WeakPolarHBondContact OH-CG 3.45Å
178	N	97.2	Very high	97.5	Very high	51 Å²	51	54.5 Å²	54.5	27%	0.273	27%	0.268	S	S	.	.			trans	-86.6	116.2	175.1	-174.3	-24.1	0	0	0	109.8	Q176 D180 D181 P182 S185	Q176-N178 PolarHBondContact O-N 3.38Å; N178-D180 PolarHBondContact OD1-N 2.89Å; N178-D181 WeakPolarHBondContact CB-O 3.41Å; N178-D181 CarbonylContact O-C 3.46Å; N178-D181 PolarHBondContact OD1-N 2.96Å; N178-P182 VanDerWaalsContact O-CA 3.3Å; N178-P182 WeakPolarHBondContact O-CA 3.41Å; N178-S185 PolarHBondContact N-OG 3.17Å
179	N	95.1	Very high	97.5	Very high	132 Å²	132	54.9 Å²	54.9	71%	0.706	27%	0.268	S	S	*	.	S	Bend	trans	-76.2	-30.6	-177.9	-69.3	-77.4	0	0	0	113.3	Y177	Y177-N179 WeakPolarHBondContact CE1-OD1 3.46Å
180	D	95.5	Very high	97.5	Very high	144 Å²	144	55.1 Å²	55.1	77%	0.77	27%	0.269	S	S	*	.	S	Bend	trans	-77.6	-44.3	-178.8	-60.1	-44.8	0	0	0	109.9	N178	N178-D180 PolarHBondContact OD1-N 2.89Å
181	D	96.1	Very high	97.5	Very high	75 Å²	75	54.8 Å²	54.8	40%	0.401	27%	0.267	S	S	.	.			trans	-133.8	86.6	-177.9	-73.9	-64.9	0	0	0	111	N178 H183 L184	N178-D181 WeakPolarHBondContact CB-O 3.41Å; N178-D181 CarbonylContact O-C 3.46Å; N178-D181 PolarHBondContact OD1-N 2.96Å; D181-H183 PolarHBondContact O-N 3.43Å; D181-H183 VanDerWaalsContact O-N 3.09Å; D181-H183 IonicContact OD1-CE1 3.46Å; D181-L184 HydrophobicContact CB-CB 4.24Å; D181-L184 HydrophobicContact CB-CD1 3.7Å; D181-L184 HydrophobicContact CB-CG 3.89Å; D181-L184 WeakPolarHBondContact O-CB 3.37Å; D181-L184 PolarHBondContact O-N 3.4Å
182	P	96.3	Very high	97.5	Very high	28 Å²	28	50.3 Å²	50.3	18%	0.182	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-57.4	-31.1	-174.3	-29.1	36.2	0	0	0	114.7	A112 Y177 N178 L184 S185	A112-P182 HydrophobicContact CB-CB 4.09Å; Y177-P182 HydrophobicContact CE2-CB 4.12Å; Y177-P182 WeakPolarHBondContact OH-CG 3.45Å; N178-P182 VanDerWaalsContact O-CA 3.3Å; N178-P182 WeakPolarHBondContact O-CA 3.41Å; P182-L184 PolarHBondContact O-N 3.07Å; P182-S185 WeakPolarHBondContact O-CB 3.3Å; P182-S185 PolarHBondContact O-N 2.82Å; P182-S185 PolarHBondContact O-OG 2.99Å
183	H	95.8	Very high	97.5	Very high	39 Å²	39	56.1 Å²	56.1	18%	0.181	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-65.7	-22.3	177.1	70.2	-78.4	0	0	0	113.3	D108 R111 A112 D181 S185 H271	D108-H183 HydrophobicContact CB-CB 4.28Å; D108-H183 VanDerWaalsContact O-CB 3.25Å; D108-H183 WeakPolarHBondContact O-CB 3.41Å; R111-H183 HydrophobicContact CB-CB 4.44Å; R111-H183 WeakPolarHBondContact CD-O 3.43Å; R111-H183 HydrophobicContact CG-CB 4.45Å; R111-H183 PolarHBondContact NE-O 2.92Å; A112-H183 HydrophobicContact CB-CB 4.11Å; D181-H183 PolarHBondContact O-N 3.43Å; D181-H183 VanDerWaalsContact O-N 3.09Å; D181-H183 IonicContact OD1-CE1 3.46Å; H183-S185 VanDerWaalsContact C-N 3.31Å; H183-H271 PolarHBondContact O-NE2 3.24Å
184	L	97.8	Very high	97.5	Very high	76 Å²	76	57.7 Å²	57.7	40%	0.398	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-86.4	2.2	176.7	-61.2	-178.7	0	0	0	113.4	D181 P182 E186	D181-L184 HydrophobicContact CB-CB 4.24Å; D181-L184 HydrophobicContact CB-CD1 3.7Å; D181-L184 HydrophobicContact CB-CG 3.89Å; D181-L184 WeakPolarHBondContact O-CB 3.37Å; D181-L184 PolarHBondContact O-N 3.4Å; P182-L184 PolarHBondContact O-N 3.07Å; L184-E186 PolarHBondContact O-N 2.97Å
185	S	98.4	Very high	97.3	Very high	1 Å²	1	57 Å²	57	1%	0.007	28%	0.284	C	S	.	.			trans	-61.1	136.3	177.1	-55	0	0	0	0	111.1	R111 N178 P182 H183	R111-S185 PolarHBondContact NH2-O 3.44Å; N178-S185 PolarHBondContact N-OG 3.17Å; P182-S185 WeakPolarHBondContact O-CB 3.3Å; P182-S185 PolarHBondContact O-N 2.82Å; P182-S185 PolarHBondContact O-OG 2.99Å; H183-S185 VanDerWaalsContact C-N 3.31Å
186	E	98.3	Very high	97.1	Very high	73 Å²	73	57.1 Å²	57.1	34%	0.341	29%	0.29	S	S	.	.			trans	-111.2	81.2	-176.7	-60.9	-173.1	142.3	0	0	110.9	Q176 L184 S272 D273	Q176-E186 WeakPolarHBondContact CB-O 3.41Å; Q176-E186 PolarHBondContact NE2-O 2.48Å; L184-E186 PolarHBondContact O-N 2.97Å; E186-S272 WeakPolarHBondContact OE1-CB 3.47Å; E186-S272 PolarHBondContact OE1-OG 3.44Å; E186-D273 HydrophobicContact CB-CB 4.38Å; E186-D273 HydrophobicContact CG-CB 4.26Å
187	I	98.4	Very high	97	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.286	C	S	.	.			trans	-97.9	-12.5	-171.6	66.5	166.2	0	0	0	113.5	I115 I118 L173 Q176 C190 F191 L263 D273	I115-I187 HydrophobicContact CD1-CD1 3.54Å; I115-I187 HydrophobicContact CD1-CG1 3.8Å; I115-I187 HydrophobicContact CD1-CG2 4.4Å; I118-I187 HydrophobicContact CD1-CD1 3.85Å; I118-I187 HydrophobicContact CG2-CD1 4.16Å; L173-I187 HydrophobicContact CD2-CB 3.76Å; L173-I187 HydrophobicContact CD2-CG2 3.99Å; Q176-I187 HydrophobicContact CB-CG2 4.36Å; I187-C190 WeakPolarHBondContact O-CB 3.42Å; I187-C190 PolarHBondContact O-N 3.09Å; I187-F191 HydrophobicContact CD1-CE2 4.49Å; I187-F191 WeakPolarHBondContact O-CD2 3.47Å; I187-L263 HydrophobicContact CD1-CD2 3.84Å; I187-L263 HydrophobicContact CG1-CD2 3.87Å; I187-D273 PolarHBondContact N-OD2 3.46Å
188	G	98.3	Very high	96.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-53.3	-46.6	176.1	0	0	0	0	0	113.5	C190 F191 L192 D273	G188-C190 VanDerWaalsContact C-N 3.31Å; G188-C190 PolarHBondContact O-N 3.05Å; G188-F191 PolarHBondContact O-N 3Å; G188-L192 PolarHBondContact O-N 3.46Å; G188-D273 WeakPolarHBondContact CA-OD1 3.28Å; G188-D273 PolarHBondContact N-OD1 3.47Å
189	P	98.6	Very high	96.6	Very high	24 Å²	24	54.2 Å²	54.2	16%	0.156	28%	0.28	C	S	.	.	H	α-helix	trans	-57.7	-37.2	177.3	-27.6	36.5	0	0	0	114.2	F191 L192 E193 D273 Y276	P189-F191 VanDerWaalsContact C-N 3.29Å; P189-F191 PolarHBondContact O-N 2.96Å; P189-L192 PolarHBondContact O-N 2.87Å; P189-L192 VanDerWaalsContact O-N 3.08Å; P189-E193 WeakPolarHBondContact O-CG 3.22Å; P189-E193 PolarHBondContact O-N 3.43Å; P189-D273 WeakPolarHBondContact CD-OD1 3.4Å; P189-Y276 HydrophobicContact CG-CD1 4.13Å; P189-Y276 HydrophobicContact CG-CD2 4.23Å; P189-Y276 HydrophobicContact CG-CG 3.91Å
190	C	98.4	Very high	96.6	Very high	4 Å²	4	50.2 Å²	50.2	3%	0.027	26%	0.258	C	S	.	.	H	α-helix	trans	-58	-41.8	-180	-68.1	0	0	0	0	112.2	F169 L173 Q176 I187 G188 H194	F169-C190 HydrophobicContact CE2-CB 4.24Å; L173-C190 HydrophobicContact CD2-CB 3.75Å; L173-C190 HydrophobicContact CG-CB 4.25Å; Q176-C190 WeakPolarHBondContact CG-SG 3.45Å; I187-C190 WeakPolarHBondContact O-CB 3.42Å; I187-C190 PolarHBondContact O-N 3.09Å; G188-C190 VanDerWaalsContact C-N 3.31Å; G188-C190 PolarHBondContact O-N 3.05Å; C190-H194 WeakPolarHBondContact O-CB 3.38Å; C190-H194 PolarHBondContact O-N 3.22Å; C190-H194 PolarHBondContact O-ND1 2.87Å
191	F	98.6	Very high	96.5	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-67.3	-37.7	177.5	-76.8	-90.6	0	0	0	112.3	F169 L173 I187 G188 P189 H194 Q195 F198 Y256 L260 A280 M284	F169-F191 HydrophobicContact CE1-CE1 4.37Å; F169-F191 HydrophobicContact CE1-CZ 4.4Å; F169-F191 HydrophobicContact CE2-CD1 4.27Å; F169-F191 HydrophobicContact CE2-CD2 4.47Å; F169-F191 HydrophobicContact CE2-CE1 4.43Å; F169-F191 HydrophobicContact CE2-CG 4.31Å; F169-F191 AromaticContact CZ-CD1 3.87Å; F169-F191 HydrophobicContact CZ-CD1 3.87Å; F169-F191 HydrophobicContact CZ-CD2 4.22Å; F169-F191 AromaticContact CZ-CE1 3.59Å; F169-F191 HydrophobicContact CZ-CE1 3.59Å; F169-F191 AromaticContact CZ-CE2 3.95Å; F169-F191 HydrophobicContact CZ-CE2 3.95Å; F169-F191 HydrophobicContact CZ-CG 4.19Å; F169-F191 AromaticContact CZ-CZ 3.64Å; F169-F191 HydrophobicContact CZ-CZ 3.64Å; L173-F191 HydrophobicContact CD2-CE2 4.35Å; I187-F191 HydrophobicContact CD1-CE2 4.49Å; I187-F191 WeakPolarHBondContact O-CD2 3.47Å; G188-F191 PolarHBondContact O-N 3Å; P189-F191 VanDerWaalsContact C-N 3.29Å; P189-F191 PolarHBondContact O-N 2.96Å; F191-H194 PolarHBondContact O-N 3.41Å; F191-Q195 PolarHBondContact O-N 3.3Å; F191-Q195 VanDerWaalsContact O-N 3.12Å; F191-F198 HydrophobicContact CD1-CE2 4.25Å; F191-F198 HydrophobicContact CD1-CZ 4.07Å; F191-F198 HydrophobicContact CE1-CZ 4.38Å; F191-Y256 AromaticContact CE1-CD1 3.51Å; F191-Y256 HydrophobicContact CE1-CD1 3.51Å; F191-Y256 AromaticContact CE1-CE1 3.92Å; F191-Y256 HydrophobicContact CE1-CE1 3.92Å; F191-Y256 AromaticContact CE1-CG 3.96Å; F191-Y256 HydrophobicContact CE1-CG 3.96Å; F191-Y256 AromaticContact CZ-CD1 3.89Å; F191-Y256 HydrophobicContact CZ-CD1 3.89Å; F191-Y256 HydrophobicContact CZ-CE1 4.21Å; F191-L260 HydrophobicContact CD1-CD1 4.07Å; F191-L260 HydrophobicContact CD2-CD2 4.03Å; F191-L260 HydrophobicContact CE1-CD1 4.15Å; F191-L260 HydrophobicContact CE2-CD2 3.88Å; F191-L260 HydrophobicContact CG-CD1 4.27Å; F191-L260 HydrophobicContact CZ-CD1 4.43Å; F191-L260 HydrophobicContact CZ-CD2 4.24Å; F191-L260 HydrophobicContact CZ-CG 4.44Å; F191-A280 HydrophobicContact CB-CB 3.7Å; F191-A280 HydrophobicContact CG-CB 4.35Å; F191-M284 HydrophobicContact CD1-CG 3.88Å; F191-M284 HydrophobicContact CD1-SD 4.03Å; F191-M284 HydrophobicContact CE1-CG 4.45Å
192	L	98.1	Very high	96.1	Very high	36 Å²	36	40.1 Å²	40.1	19%	0.188	20%	0.204	C	C	.	.	H	α-helix	trans	-70.3	-41.5	-179.9	-63.7	174.6	0	0	0	111.9	G188 P189 H194 Q195 Y276 A279 A280 V283	G188-L192 PolarHBondContact O-N 3.46Å; P189-L192 PolarHBondContact O-N 2.87Å; P189-L192 VanDerWaalsContact O-N 3.08Å; L192-H194 VanDerWaalsContact C-N 3.26Å; L192-H194 PolarHBondContact O-N 2.81Å; L192-Q195 WeakPolarHBondContact O-CG 3.46Å; L192-Q195 PolarHBondContact O-N 3.35Å; L192-Q195 PolarHBondContact O-NE2 3.46Å; L192-Y276 HydrophobicContact CD1-CD1 3.94Å; L192-A279 HydrophobicContact CD1-CB 4.15Å; L192-A279 HydrophobicContact CD2-CB 4.03Å; L192-A280 HydrophobicContact CD2-CB 4.33Å; L192-A280 HydrophobicContact CG-CB 4.37Å; L192-V283 HydrophobicContact CD2-CB 4.49Å; L192-V283 HydrophobicContact CD2-CG2 3.91Å
193	E	97.8	Very high	95.7	Very high	147 Å²	147	43.2 Å²	43.2	69%	0.687	22%	0.216	S	C	*	.	H	α-helix	trans	-65.2	-31.6	176.9	-71.2	178.4	-178.3	0	0	112.3	P189	P189-E193 WeakPolarHBondContact O-CG 3.22Å; P189-E193 PolarHBondContact O-N 3.43Å
194	H	97.7	Very high	95.6	Very high	32 Å²	32	41.7 Å²	41.7	15%	0.148	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	6.8	-177.9	-69	79.9	0	0	0	113.8	F165 F169 D172 C190 F191 L192 D196 G197 F198	F165-H194 HydrophobicContact CE2-CB 3.95Å; F165-H194 AromaticContact CE2-CD2 3.92Å; F165-H194 HydrophobicContact CZ-CB 4.07Å; F169-H194 HydrophobicContact CD2-CB 4.02Å; F169-H194 AromaticContact CD2-CG 3.84Å; D172-H194 IonicContact OD2-CE1 2.7Å; D172-H194 IonicContact OD2-NE2 4Å; C190-H194 WeakPolarHBondContact O-CB 3.38Å; C190-H194 PolarHBondContact O-N 3.22Å; C190-H194 PolarHBondContact O-ND1 2.87Å; F191-H194 PolarHBondContact O-N 3.41Å; L192-H194 VanDerWaalsContact C-N 3.26Å; L192-H194 PolarHBondContact O-N 2.81Å; H194-D196 VanDerWaalsContact C-N 3.34Å; H194-D196 PolarHBondContact O-N 3.34Å; H194-G197 WeakPolarHBondContact O-CA 3.03Å; H194-G197 PolarHBondContact O-N 3.48Å; H194-F198 HydrophobicContact CB-CE2 4.11Å; H194-F198 VanDerWaalsContact O-CD2 3.29Å; H194-F198 WeakPolarHBondContact O-CD2 3.42Å; H194-F198 PolarHBondContact O-N 2.95Å
195	Q	95	Very high	95	Very high	79 Å²	79	38.6 Å²	38.6	37%	0.369	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-54.3	-45.2	-170.1	71.5	-171.7	-78.8	0	0	113.8	F191 L192 G197 F198 V283	F191-Q195 PolarHBondContact O-N 3.3Å; F191-Q195 VanDerWaalsContact O-N 3.12Å; L192-Q195 WeakPolarHBondContact O-CG 3.46Å; L192-Q195 PolarHBondContact O-N 3.35Å; L192-Q195 PolarHBondContact O-NE2 3.46Å; Q195-G197 VanDerWaalsContact C-N 3.27Å; Q195-G197 PolarHBondContact O-N 3.2Å; Q195-F198 PolarHBondContact O-N 3.03Å; Q195-V283 HydrophobicContact CB-CG1 3.6Å
196	D	92.4	Very high	94.3	Very high	135 Å²	135	40 Å²	40	72%	0.722	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-68.7	-31	-179.7	-63.8	-30.6	0	0	0	111.4	H194 F198 W199	H194-D196 VanDerWaalsContact C-N 3.34Å; H194-D196 PolarHBondContact O-N 3.34Å; D196-F198 VanDerWaalsContact C-N 3.27Å; D196-F198 PolarHBondContact O-N 2.95Å; D196-W199 WeakPolarHBondContact O-CB 3.44Å; D196-W199 PolarHBondContact O-N 3.18Å; D196-W199 VanDerWaalsContact O-N 3.1Å
197	G	95.4	Very high	93.7	Very high	24 Å²	24	39.1 Å²	39.1	25%	0.247	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-66.3	-27.1	178.8	0	0	0	0	0	113.2	H194 Q195 W199 I200	H194-G197 WeakPolarHBondContact O-CA 3.03Å; H194-G197 PolarHBondContact O-N 3.48Å; Q195-G197 VanDerWaalsContact C-N 3.27Å; Q195-G197 PolarHBondContact O-N 3.2Å; G197-W199 PolarHBondContact O-N 3.49Å; G197-I200 VanDerWaalsContact O-CG1 3.27Å; G197-I200 WeakPolarHBondContact O-CG1 3.4Å
198	F	96.1	Very high	93.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-68.1	-14.3	174	-68.3	-74.5	0	0	0	113.2	F165 F169 F191 H194 Q195 D196 I200 Y201 I253 Y256 M284 V287	F165-F198 AromaticContact CE1-CD1 3.69Å; F165-F198 HydrophobicContact CE1-CD1 3.69Å; F165-F198 AromaticContact CE1-CE1 3.64Å; F165-F198 HydrophobicContact CE1-CE1 3.64Å; F165-F198 HydrophobicContact CE1-CG 4.29Å; F165-F198 HydrophobicContact CE1-CZ 4.2Å; F165-F198 AromaticContact CZ-CD1 3.78Å; F165-F198 HydrophobicContact CZ-CD1 3.78Å; F165-F198 HydrophobicContact CZ-CD2 4.08Å; F165-F198 AromaticContact CZ-CE1 3.74Å; F165-F198 HydrophobicContact CZ-CE1 3.74Å; F165-F198 HydrophobicContact CZ-CE2 4.04Å; F165-F198 AromaticContact CZ-CG 3.95Å; F165-F198 HydrophobicContact CZ-CG 3.95Å; F165-F198 AromaticContact CZ-CZ 3.88Å; F165-F198 HydrophobicContact CZ-CZ 3.88Å; F169-F198 HydrophobicContact CD1-CZ 4.5Å; F169-F198 HydrophobicContact CD2-CZ 4.27Å; F169-F198 HydrophobicContact CE1-CZ 4.19Å; F169-F198 AromaticContact CE2-CZ 3.97Å; F169-F198 HydrophobicContact CE2-CZ 3.97Å; F169-F198 AromaticContact CZ-CZ 3.93Å; F169-F198 HydrophobicContact CZ-CZ 3.93Å; F191-F198 HydrophobicContact CD1-CE2 4.25Å; F191-F198 HydrophobicContact CD1-CZ 4.07Å; F191-F198 HydrophobicContact CE1-CZ 4.38Å; H194-F198 HydrophobicContact CB-CE2 4.11Å; H194-F198 VanDerWaalsContact O-CD2 3.29Å; H194-F198 WeakPolarHBondContact O-CD2 3.42Å; H194-F198 PolarHBondContact O-N 2.95Å; Q195-F198 PolarHBondContact O-N 3.03Å; D196-F198 VanDerWaalsContact C-N 3.27Å; D196-F198 PolarHBondContact O-N 2.95Å; F198-I200 PolarHBondContact O-N 3.27Å; F198-Y201 HydrophobicContact CD1-CD2 4.43Å; F198-Y201 HydrophobicContact CD1-CE2 4.15Å; F198-Y201 WeakPolarHBondContact O-CB 3.33Å; F198-Y201 WeakPolarHBondContact O-CD2 3.26Å; F198-Y201 PolarHBondContact O-N 2.94Å; F198-Y201 VanDerWaalsContact O-N 3.15Å; F198-I253 HydrophobicContact CB-CD1 4.19Å; F198-I253 HydrophobicContact CD1-CD1 3.87Å; F198-I253 HydrophobicContact CG-CD1 4.35Å; F198-Y256 HydrophobicContact CD1-CE2 4.19Å; F198-Y256 HydrophobicContact CE1-CD2 4.2Å; F198-Y256 AromaticContact CE1-CE2 3.58Å; F198-Y256 HydrophobicContact CE1-CE2 3.58Å; F198-Y256 AromaticContact CE1-CZ 3.98Å; F198-Y256 HydrophobicContact CZ-CE2 4.41Å; F198-M284 HydrophobicContact CD1-CE 3.9Å; F198-M284 HydrophobicContact CD2-CE 4Å; F198-M284 HydrophobicContact CD2-SD 3.75Å; F198-M284 HydrophobicContact CE1-CE 4.02Å; F198-M284 HydrophobicContact CE2-CE 4.11Å; F198-M284 HydrophobicContact CE2-SD 3.77Å; F198-M284 HydrophobicContact CG-CE 3.9Å; F198-M284 HydrophobicContact CG-SD 4.24Å; F198-M284 HydrophobicContact CZ-CE 4.12Å; F198-M284 HydrophobicContact CZ-SD 4.27Å; F198-V287 HydrophobicContact CB-CG1 3.98Å
199	W	90.8	Very high	92.3	Very high	89 Å²	89	43.9 Å²	43.9	34%	0.337	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-63	-25.3	178.8	-171.1	-115.9	0	0	0	113.4	D196 G197 Y201 S202 Q290 I440	D196-W199 WeakPolarHBondContact O-CB 3.44Å; D196-W199 PolarHBondContact O-N 3.18Å; D196-W199 VanDerWaalsContact O-N 3.1Å; G197-W199 PolarHBondContact O-N 3.49Å; W199-Y201 PolarHBondContact O-N 3.01Å; W199-Y201 VanDerWaalsContact O-N 3.09Å; W199-S202 WeakPolarHBondContact O-CB 3.4Å; W199-S202 PolarHBondContact O-N 3.03Å; W199-Q290 HydrophobicContact CH2-CB 4.32Å; W199-Q290 HydrophobicContact CZ3-CB 3.81Å; W199-I440 HydrophobicContact CZ2-CD1 4.49Å
200	I	94.3	Very high	91.6	Very high	48 Å²	48	46.9 Å²	46.9	25%	0.246	24%	0.238	C	C	.	.	H	α-helix	trans	-60.5	-22	176.7	70.7	-172.1	0	0	0	112.9	N158 I162 F165 G197 F198 S202 E203 Y204	N158-I200 PolarHBondContact ND2-O 3.06Å; I162-I200 HydrophobicContact CG1-CD1 4.1Å; I162-I200 HydrophobicContact CG1-CG1 4.07Å; F165-I200 HydrophobicContact CB-CD1 3.59Å; F165-I200 HydrophobicContact CD1-CD1 4.25Å; F165-I200 HydrophobicContact CG-CD1 3.92Å; G197-I200 VanDerWaalsContact O-CG1 3.27Å; G197-I200 WeakPolarHBondContact O-CG1 3.4Å; F198-I200 PolarHBondContact O-N 3.27Å; I200-S202 PolarHBondContact O-N 3.36Å; I200-E203 PolarHBondContact O-N 3.41Å; I200-Y204 PolarHBondContact O-N 3.36Å
201	Y	94.1	Very high	91.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.3	-24.2	173.5	-76	-100.9	0	0	0	112.5	Y125 I162 F165 F198 W199 Y204 C205 P249 I253	Y125-Y201 WeakPolarHBondContact CE1-OH 3.31Å; Y125-Y201 WeakPolarHBondContact OH-CE1 3.33Å; Y125-Y201 PolarHBondContact OH-OH 3.32Å; I162-Y201 HydrophobicContact CD1-CD1 4.43Å; I162-Y201 HydrophobicContact CD1-CE1 4.48Å; I162-Y201 HydrophobicContact CG2-CE1 4.01Å; I162-Y201 HydrophobicContact CG2-CE2 4.08Å; I162-Y201 WeakPolarHBondContact CG2-OH 3.25Å; F165-Y201 HydrophobicContact CD1-CE2 4.21Å; F165-Y201 HydrophobicContact CE1-CE2 4.18Å; F198-Y201 HydrophobicContact CD1-CD2 4.43Å; F198-Y201 HydrophobicContact CD1-CE2 4.15Å; F198-Y201 WeakPolarHBondContact O-CB 3.33Å; F198-Y201 WeakPolarHBondContact O-CD2 3.26Å; F198-Y201 PolarHBondContact O-N 2.94Å; F198-Y201 VanDerWaalsContact O-N 3.15Å; W199-Y201 PolarHBondContact O-N 3.01Å; W199-Y201 VanDerWaalsContact O-N 3.09Å; Y201-Y204 PolarHBondContact O-N 3.13Å; Y201-C205 WeakPolarHBondContact O-CB 3.48Å; Y201-C205 PolarHBondContact O-N 3.41Å; Y201-C205 PolarHBondContact O-SG 2.79Å; Y201-P249 HydrophobicContact CD1-CB 4.15Å; Y201-P249 HydrophobicContact CE1-CB 3.77Å; Y201-P249 WeakPolarHBondContact CE1-O 3.41Å; Y201-I253 HydrophobicContact CD1-CB 3.88Å; Y201-I253 HydrophobicContact CD1-CG1 4.39Å; Y201-I253 HydrophobicContact CD1-CG2 4.34Å; Y201-I253 HydrophobicContact CD2-CD1 4.3Å; Y201-I253 HydrophobicContact CE1-CB 4.35Å; Y201-I253 HydrophobicContact CG-CB 4.27Å; Y201-I253 HydrophobicContact CG-CD1 4.19Å; Y201-I253 HydrophobicContact CG-CG1 4.27Å
202	S	87.6	Confident	90.5	Very high	6 Å²	6	48.6 Å²	48.6	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-58.3	-51.2	174.7	-175.3	0	0	0	0	111.2	W199 I200 Y204 C205 N206	W199-S202 WeakPolarHBondContact O-CB 3.4Å; W199-S202 PolarHBondContact O-N 3.03Å; I200-S202 PolarHBondContact O-N 3.36Å; S202-Y204 VanDerWaalsContact C-N 3.33Å; S202-Y204 PolarHBondContact O-N 2.98Å; S202-C205 PolarHBondContact O-N 2.95Å; S202-N206 WeakPolarHBondContact O-CB 3.32Å; S202-N206 PolarHBondContact O-N 2.88Å; S202-N206 PolarHBondContact O-ND2 3.1Å
203	E	88	Confident	89.7	Confident	93 Å²	93	52.4 Å²	52.4	44%	0.435	27%	0.267	S	S	.	.	H	α-helix	trans	-58.7	-45.6	176.2	-179.5	-172.3	172	0	0	111.4	N158 I200 N206 N207	N158-E203 PolarHBondContact ND2-OE2 3.03Å; I200-E203 PolarHBondContact O-N 3.41Å; E203-N206 PolarHBondContact O-N 3.37Å; E203-N207 PolarHBondContact O-N 3.12Å; E203-N207 VanDerWaalsContact O-N 3.15Å
204	Y	92.6	Very high	89.5	Confident	7 Å²	7	46.8 Å²	46.8	3%	0.027	24%	0.241	C	C	.	.	H	α-helix	trans	-60.6	-48.9	-179.7	-168	-96.2	0	0	0	112.2	N158 I159 I162 I200 Y201 S202 N206 N207 H208 L246 P249 V250	N158-Y204 WeakPolarHBondContact OD1-CB 3.46Å; N158-Y204 WeakPolarHBondContact OD1-CD2 3.27Å; I159-Y204 HydrophobicContact CB-CE2 3.98Å; I159-Y204 HydrophobicContact CD1-CD2 4.46Å; I159-Y204 HydrophobicContact CD1-CE2 3.72Å; I159-Y204 HydrophobicContact CG1-CE2 4.35Å; I162-Y204 HydrophobicContact CD1-CD1 4.22Å; I162-Y204 HydrophobicContact CD1-CD2 3.57Å; I162-Y204 HydrophobicContact CD1-CE2 4.31Å; I162-Y204 HydrophobicContact CD1-CG 3.51Å; I200-Y204 PolarHBondContact O-N 3.36Å; Y201-Y204 PolarHBondContact O-N 3.13Å; S202-Y204 VanDerWaalsContact C-N 3.33Å; S202-Y204 PolarHBondContact O-N 2.98Å; Y204-N206 VanDerWaalsContact C-N 3.33Å; Y204-N206 PolarHBondContact O-N 3.36Å; Y204-N207 PolarHBondContact O-N 3.21Å; Y204-H208 WeakPolarHBondContact O-CB 3.15Å; Y204-H208 PolarHBondContact O-N 3.44Å; Y204-L246 VanDerWaalsContact CE1-O 3.31Å; Y204-L246 WeakPolarHBondContact CE1-O 3.25Å; Y204-L246 WeakPolarHBondContact OH-CA 3.41Å; Y204-L246 PolarHBondContact OH-O 3.23Å; Y204-P249 HydrophobicContact CD1-CB 3.84Å; Y204-P249 HydrophobicContact CD1-CG 4.23Å; Y204-P249 HydrophobicContact CE1-CB 3.69Å; Y204-P249 HydrophobicContact CE1-CG 3.61Å; Y204-V250 HydrophobicContact CD1-CG2 4.05Å; Y204-V250 HydrophobicContact CE1-CG2 4.01Å
205	C	86.9	Confident	89.2	Confident	11 Å²	11	45.5 Å²	45.5	7%	0.074	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-36.6	-179.9	-71	0	0	0	0	112.4	Y201 S202 I291	Y201-C205 WeakPolarHBondContact O-CB 3.48Å; Y201-C205 PolarHBondContact O-N 3.41Å; Y201-C205 PolarHBondContact O-SG 2.79Å; S202-C205 PolarHBondContact O-N 2.95Å; C205-I291 HydrophobicContact CB-CG2 3.62Å
206	N	82.5	Confident	88.9	Confident	32 Å²	32	45.3 Å²	45.3	17%	0.171	24%	0.243	C	C	.	.	H	α-helix	trans	-66	-39.5	177.6	-67.9	-30.1	0	0	0	111.9	S202 E203 Y204 R294 L298	S202-N206 WeakPolarHBondContact O-CB 3.32Å; S202-N206 PolarHBondContact O-N 2.88Å; S202-N206 PolarHBondContact O-ND2 3.1Å; E203-N206 PolarHBondContact O-N 3.37Å; Y204-N206 VanDerWaalsContact C-N 3.33Å; Y204-N206 PolarHBondContact O-N 3.36Å; N206-R294 WeakPolarHBondContact ND2-CG 3.23Å; N206-L298 HydrophobicContact CB-CD1 4.14Å
207	N	86.3	Confident	89	Confident	54 Å²	54	44.7 Å²	44.7	29%	0.289	23%	0.234	S	C	.	.	H	α-helix	trans	-86.1	-12.3	-177.5	-66.4	-1.6	0	0	0	113.6	E203 Y204 L209 D210 A211	E203-N207 PolarHBondContact O-N 3.12Å; E203-N207 VanDerWaalsContact O-N 3.15Å; Y204-N207 PolarHBondContact O-N 3.21Å; N207-L209 VanDerWaalsContact C-N 3.28Å; N207-L209 PolarHBondContact O-N 3.18Å; N207-D210 PolarHBondContact O-N 3.45Å; N207-D210 VanDerWaalsContact O-N 3.15Å; N207-A211 PolarHBondContact O-N 3.44Å; N207-A211 VanDerWaalsContact O-N 3.12Å
208	H	85.4	Confident	88.9	Confident	27 Å²	27	44 Å²	44	13%	0.125	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-33.5	-171.7	-173.5	61.8	0	0	0	113.6	Y204 A211 C212 L246 L247 V250	Y204-H208 WeakPolarHBondContact O-CB 3.15Å; Y204-H208 PolarHBondContact O-N 3.44Å; H208-A211 WeakPolarHBondContact O-CB 3.39Å; H208-A211 PolarHBondContact O-N 3Å; H208-C212 PolarHBondContact O-N 3.4Å; H208-C212 PolarHBondContact O-SG 2.98Å; H208-C212 VanDerWaalsContact O-SG 3.37Å; H208-L246 PolarHBondContact CE1-O 2.9Å; H208-L247 WeakPolarHBondContact NE2-CD1 3.47Å; H208-V250 HydrophobicContact CB-CG2 4.44Å
209	L	80.9	Confident	88.7	Confident	72 Å²	72	47.3 Å²	47.3	38%	0.377	24%	0.241	S	C	.	.	H	α-helix	trans	-65.7	-42.5	177.7	-175.9	62	0	0	0	111.7	N207 A211 C212 M213	N207-L209 VanDerWaalsContact C-N 3.28Å; N207-L209 PolarHBondContact O-N 3.18Å; L209-A211 VanDerWaalsContact C-N 3.31Å; L209-A211 PolarHBondContact O-N 2.97Å; L209-C212 WeakPolarHBondContact O-CB 3.36Å; L209-C212 PolarHBondContact O-N 3.08Å; L209-M213 HydrophobicContact CD1-CE 4.29Å; L209-M213 HydrophobicContact CD2-CE 4.16Å; L209-M213 HydrophobicContact CG-CE 3.98Å; L209-M213 WeakPolarHBondContact O-CG 3.03Å; L209-M213 PolarHBondContact O-N 3.47Å
210	D	85.3	Confident	88.9	Confident	88 Å²	88	51.6 Å²	51.6	47%	0.471	26%	0.262	S	S	.	.	H	α-helix	trans	-64.4	-38.2	176.8	-66.2	-31.4	0	0	0	111.2	V154 N207 C212 M213 E214	V154-D210 HydrophobicContact CG1-CB 4.11Å; N207-D210 PolarHBondContact O-N 3.45Å; N207-D210 VanDerWaalsContact O-N 3.15Å; D210-C212 PolarHBondContact O-N 2.95Å; D210-M213 PolarHBondContact O-N 2.87Å; D210-E214 PolarHBondContact O-N 3.08Å
211	A	89.9	Confident	89	Confident	4 Å²	4	51.6 Å²	51.6	3%	0.033	26%	0.262	C	S	.	.	H	α-helix	trans	-57.9	-47.9	172.8	0	0	0	0	0	111.7	V154 I155 N207 H208 L209 M213 E214 L215	V154-A211 VanDerWaalsContact O-CB 3.31Å; V154-A211 WeakPolarHBondContact O-CB 3.37Å; I155-A211 WeakPolarHBondContact O-CB 3.35Å; N207-A211 PolarHBondContact O-N 3.44Å; N207-A211 VanDerWaalsContact O-N 3.12Å; H208-A211 WeakPolarHBondContact O-CB 3.39Å; H208-A211 PolarHBondContact O-N 3Å; L209-A211 VanDerWaalsContact C-N 3.31Å; L209-A211 PolarHBondContact O-N 2.97Å; A211-M213 VanDerWaalsContact C-N 3.32Å; A211-M213 PolarHBondContact O-N 3.24Å; A211-E214 PolarHBondContact O-N 3.12Å; A211-L215 WeakPolarHBondContact O-CB 3.23Å; A211-L215 WeakPolarHBondContact O-CG 3.37Å; A211-L215 PolarHBondContact O-N 3.24Å
212	C	82.7	Confident	89.1	Confident	37 Å²	37	54.7 Å²	54.7	25%	0.25	28%	0.284	C	S	.	.	H	α-helix	trans	-60.8	-39.7	177	-71.2	0	0	0	0	112.2	H208 L209 D210 S216	H208-C212 PolarHBondContact O-N 3.4Å; H208-C212 PolarHBondContact O-SG 2.98Å; H208-C212 VanDerWaalsContact O-SG 3.37Å; L209-C212 WeakPolarHBondContact O-CB 3.36Å; L209-C212 PolarHBondContact O-N 3.08Å; D210-C212 PolarHBondContact O-N 2.95Å; C212-S216 VanDerWaalsContact O-CB 3.29Å; C212-S216 WeakPolarHBondContact O-CB 3.24Å; C212-S216 PolarHBondContact O-N 3.36Å; C212-S216 PolarHBondContact O-OG 3.29Å
213	M	82.3	Confident	89.5	Confident	115 Å²	115	61.7 Å²	61.7	57%	0.567	31%	0.309	S	S	*	.	H	α-helix	trans	-66.2	-47.3	177.4	-70.1	-173.4	-176.6	0	0	112.2	L209 D210 A211 S216 K217	L209-M213 HydrophobicContact CD1-CE 4.29Å; L209-M213 HydrophobicContact CD2-CE 4.16Å; L209-M213 HydrophobicContact CG-CE 3.98Å; L209-M213 WeakPolarHBondContact O-CG 3.03Å; L209-M213 PolarHBondContact O-N 3.47Å; D210-M213 PolarHBondContact O-N 2.87Å; A211-M213 VanDerWaalsContact C-N 3.32Å; A211-M213 PolarHBondContact O-N 3.24Å; M213-S216 PolarHBondContact O-N 3.44Å; M213-K217 PolarHBondContact O-N 3.29Å
214	E	92.3	Very high	90	Very high	30 Å²	30	58.4 Å²	58.4	14%	0.14	29%	0.293	C	S	.	.	H	α-helix	trans	-66.9	-40.1	178.9	-173.4	63.5	-166.6	0	0	110.9	Q151 V154 I155 D210 A211 K217 L218	Q151-E214 PolarHBondContact NE2-OE1 2.86Å; V154-E214 HydrophobicContact CG1-CB 3.97Å; I155-E214 HydrophobicContact CD1-CG 4.13Å; I155-E214 HydrophobicContact CG1-CB 4.23Å; I155-E214 HydrophobicContact CG1-CG 4.04Å; D210-E214 PolarHBondContact O-N 3.08Å; A211-E214 PolarHBondContact O-N 3.12Å; E214-K217 WeakPolarHBondContact O-CB 3.44Å; E214-K217 PolarHBondContact O-N 3.48Å; E214-K217 IonicContact OE1-NZ 3.65Å; E214-K217 PolarHBondContact OE1-NZ 3.39Å; E214-K217 IonicContact OE2-NZ 3.12Å; E214-K217 PolarHBondContact OE2-NZ 3.25Å; E214-L218 WeakPolarHBondContact O-CG 3.45Å; E214-L218 PolarHBondContact O-N 3.32Å
215	L	92.8	Very high	90.1	Very high	5 Å²	5	62.1 Å²	62.1	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-60.3	-47.8	172.7	-77.6	172.6	0	0	0	112.3	I155 A211 K217 L218 M219 F228 I242 D243 L246	I155-L215 HydrophobicContact CD1-CD2 4.33Å; I155-L215 HydrophobicContact CG1-CD2 4.44Å; I155-L215 HydrophobicContact CG1-CG 4.36Å; I155-L215 HydrophobicContact CG2-CD1 4.17Å; I155-L215 HydrophobicContact CG2-CD2 3.82Å; I155-L215 HydrophobicContact CG2-CG 3.96Å; A211-L215 WeakPolarHBondContact O-CB 3.23Å; A211-L215 WeakPolarHBondContact O-CG 3.37Å; A211-L215 PolarHBondContact O-N 3.24Å; L215-K217 PolarHBondContact O-N 3.09Å; L215-L218 PolarHBondContact O-N 2.89Å; L215-L218 VanDerWaalsContact O-N 3.12Å; L215-M219 WeakPolarHBondContact O-CB 3.45Å; L215-M219 WeakPolarHBondContact O-CG 3.27Å; L215-M219 PolarHBondContact O-N 3.15Å; L215-F228 HydrophobicContact CD2-CE2 4.1Å; L215-F228 HydrophobicContact CD2-CZ 3.99Å; L215-I242 HydrophobicContact CD1-CG2 4.34Å; L215-I242 HydrophobicContact CD2-CD1 4.47Å; L215-I242 HydrophobicContact CD2-CG2 4Å; L215-D243 HydrophobicContact CD1-CB 4.35Å; L215-L246 HydrophobicContact CD1-CD1 3.56Å
216	S	89.1	Confident	90.5	Very high	75 Å²	75	67.9 Å²	67.9	52%	0.524	34%	0.336	S	S	.	.	H	α-helix	trans	-57.7	-34.8	177.5	-64.3	0	0	0	0	112.2	C212 M213	C212-S216 VanDerWaalsContact O-CB 3.29Å; C212-S216 WeakPolarHBondContact O-CB 3.24Å; C212-S216 PolarHBondContact O-N 3.36Å; C212-S216 PolarHBondContact O-OG 3.29Å; M213-S216 PolarHBondContact O-N 3.44Å
217	K	92.7	Very high	91.2	Very high	122 Å²	122	67.5 Å²	67.5	53%	0.53	33%	0.333	S	S	.	.	H	α-helix	trans	-71.8	-45.9	175.4	175.7	-176.5	157	-147.7	0	111.9	M213 E214 L215 M219 K220	M213-K217 PolarHBondContact O-N 3.29Å; E214-K217 WeakPolarHBondContact O-CB 3.44Å; E214-K217 PolarHBondContact O-N 3.48Å; E214-K217 IonicContact OE1-NZ 3.65Å; E214-K217 PolarHBondContact OE1-NZ 3.39Å; E214-K217 IonicContact OE2-NZ 3.12Å; E214-K217 PolarHBondContact OE2-NZ 3.25Å; L215-K217 PolarHBondContact O-N 3.09Å; K217-M219 VanDerWaalsContact C-N 3.33Å; K217-M219 PolarHBondContact O-N 3.16Å; K217-K220 WeakPolarHBondContact O-CB 3.41Å; K217-K220 PolarHBondContact O-N 3.2Å
218	L	94.5	Very high	91.7	Very high	10 Å²	10	65.3 Å²	65.3	5%	0.052	32%	0.321	C	S	.	.	H	α-helix	trans	-64.1	-38.3	177.7	-69.5	-176.5	0	0	0	112.1	F147 I155 E214 L215 K220 D221 Y224	F147-L218 HydrophobicContact CD1-CD1 4.43Å; F147-L218 HydrophobicContact CE1-CD1 4.01Å; I155-L218 HydrophobicContact CD1-CD1 3.57Å; E214-L218 WeakPolarHBondContact O-CG 3.45Å; E214-L218 PolarHBondContact O-N 3.32Å; L215-L218 PolarHBondContact O-N 2.89Å; L215-L218 VanDerWaalsContact O-N 3.12Å; L218-K220 PolarHBondContact O-N 2.95Å; L218-D221 PolarHBondContact O-N 3.46Å; L218-Y224 HydrophobicContact CB-CD1 4.22Å; L218-Y224 HydrophobicContact CB-CG 4.09Å; L218-Y224 HydrophobicContact CD1-CD1 4.12Å; L218-Y224 HydrophobicContact CD1-CE1 4.18Å; L218-Y224 HydrophobicContact CD2-CD1 4.16Å; L218-Y224 HydrophobicContact CD2-CD2 4.35Å; L218-Y224 HydrophobicContact CD2-CE1 3.82Å; L218-Y224 HydrophobicContact CD2-CE2 4.03Å; L218-Y224 HydrophobicContact CD2-CG 4.4Å; L218-Y224 HydrophobicContact CG-CD1 4.41Å; L218-Y224 HydrophobicContact CG-CE1 4.47Å
219	M	92.2	Very high	92.1	Very high	69 Å²	69	67.7 Å²	67.7	34%	0.34	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-7.4	178.2	-70.5	-60.9	-75.1	0	0	113.6	L215 K217 D221 Q225 F228	L215-M219 WeakPolarHBondContact O-CB 3.45Å; L215-M219 WeakPolarHBondContact O-CG 3.27Å; L215-M219 PolarHBondContact O-N 3.15Å; K217-M219 VanDerWaalsContact C-N 3.33Å; K217-M219 PolarHBondContact O-N 3.16Å; M219-D221 VanDerWaalsContact C-N 3.33Å; M219-Q225 HydrophobicContact CE-CB 4.46Å; M219-Q225 HydrophobicContact CE-CG 3.97Å; M219-Q225 WeakPolarHBondContact O-CG 3.21Å; M219-Q225 PolarHBondContact O-NE2 3.28Å; M219-Q225 HydrophobicContact SD-CG 4.2Å; M219-F228 HydrophobicContact SD-CD2 3.8Å; M219-F228 HydrophobicContact SD-CE2 4.37Å
220	K	94.1	Very high	92.9	Very high	178 Å²	178	66.4 Å²	66.4	77%	0.774	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-21.3	169.5	-65.1	177.6	-178	178	0	113.1	K217 L218	K217-K220 WeakPolarHBondContact O-CB 3.41Å; K217-K220 PolarHBondContact O-N 3.2Å; L218-K220 PolarHBondContact O-N 2.95Å
221	D	96.1	Very high	93.3	Very high	49 Å²	49	62.6 Å²	62.6	26%	0.262	31%	0.312	S	S	.	.	S	Bend	trans	-98.1	122.1	176.8	176.5	-10.8	0	0	0	109.6	L218 M219 R223 Y224 Q225	L218-D221 PolarHBondContact O-N 3.46Å; M219-D221 VanDerWaalsContact C-N 3.33Å; D221-R223 PolarHBondContact O-N 3.41Å; D221-R223 VanDerWaalsContact O-N 3.12Å; D221-R223 WeakPolarHBondContact OD1-CB 3.46Å; D221-R223 WeakPolarHBondContact OD1-CG 3.33Å; D221-R223 PolarHBondContact OD1-N 3.16Å; D221-R223 IonicContact OD1-NE 3.35Å; D221-R223 PolarHBondContact OD1-NE 3.17Å; D221-R223 IonicContact OD2-CZ 3.49Å; D221-R223 VanDerWaalsContact OD2-CZ 3.31Å; D221-R223 IonicContact OD2-NE 2.71Å; D221-R223 PolarHBondContact OD2-NE 3.41Å; D221-R223 IonicContact OD2-NH2 3.22Å; D221-R223 PolarHBondContact OD2-NH2 3.46Å; D221-Y224 HydrophobicContact CB-CD2 3.82Å; D221-Y224 HydrophobicContact CB-CE2 4.27Å; D221-Y224 PolarHBondContact O-N 2.91Å; D221-Q225 PolarHBondContact O-N 3.29Å
222	S	96.2	Very high	93.6	Very high	64 Å²	64	63.5 Å²	63.5	45%	0.448	32%	0.315	S	S	.	.	H	α-helix	trans	-58.7	-27.3	-176.9	64.8	0	0	0	0	112.6	Y224 Q225 H226	S222-Y224 VanDerWaalsContact C-N 3.29Å; S222-Y224 PolarHBondContact O-N 3.31Å; S222-Q225 PolarHBondContact O-N 3.32Å; S222-H226 PolarHBondContact O-N 3.2Å; S222-H226 PolarHBondContact O-ND1 3.3Å
223	R	97.1	Very high	94	Very high	154 Å²	154	66.5 Å²	66.5	58%	0.581	33%	0.328	S	S	*	.	H	α-helix	trans	-60.6	-39.5	177.1	-63.6	-179.2	-62.4	159.3	2.8	112	M146 D221 F227	M146-R223 HydrophobicContact CE-CB 4.41Å; D221-R223 PolarHBondContact O-N 3.41Å; D221-R223 VanDerWaalsContact O-N 3.12Å; D221-R223 WeakPolarHBondContact OD1-CB 3.46Å; D221-R223 WeakPolarHBondContact OD1-CG 3.33Å; D221-R223 PolarHBondContact OD1-N 3.16Å; D221-R223 IonicContact OD1-NE 3.35Å; D221-R223 PolarHBondContact OD1-NE 3.17Å; D221-R223 IonicContact OD2-CZ 3.49Å; D221-R223 VanDerWaalsContact OD2-CZ 3.31Å; D221-R223 IonicContact OD2-NE 2.71Å; D221-R223 PolarHBondContact OD2-NE 3.41Å; D221-R223 IonicContact OD2-NH2 3.22Å; D221-R223 PolarHBondContact OD2-NH2 3.46Å; R223-F227 VanDerWaalsContact O-CB 3.23Å; R223-F227 WeakPolarHBondContact O-CB 3.44Å; R223-F227 PolarHBondContact O-N 3.04Å; R223-F227 VanDerWaalsContact O-N 3.08Å
224	Y	97.1	Very high	94.5	Very high	24 Å²	24	68 Å²	68	9%	0.094	34%	0.337	C	S	.	.	H	α-helix	trans	-75.4	-37.7	177.7	-66.3	-90.6	0	0	0	111.4	M146 F147 L218 D221 S222 F227 F228	M146-Y224 HydrophobicContact CB-CE1 4.15Å; M146-Y224 HydrophobicContact CE-CD1 3.8Å; M146-Y224 HydrophobicContact CE-CE1 3.87Å; M146-Y224 HydrophobicContact CE-CG 4.15Å; M146-Y224 PolarHBondContact O-OH 3.07Å; F147-Y224 HydrophobicContact CD1-CE1 4.2Å; F147-Y224 AromaticContact CE1-CD1 3.75Å; F147-Y224 HydrophobicContact CE1-CD1 3.75Å; F147-Y224 AromaticContact CE1-CE1 3.7Å; F147-Y224 HydrophobicContact CE1-CE1 3.7Å; F147-Y224 HydrophobicContact CE2-CE1 4.42Å; F147-Y224 AromaticContact CZ-CD1 3.67Å; F147-Y224 HydrophobicContact CZ-CD1 3.67Å; F147-Y224 AromaticContact CZ-CE1 3.83Å; F147-Y224 HydrophobicContact CZ-CE1 3.83Å; L218-Y224 HydrophobicContact CB-CD1 4.22Å; L218-Y224 HydrophobicContact CB-CG 4.09Å; L218-Y224 HydrophobicContact CD1-CD1 4.12Å; L218-Y224 HydrophobicContact CD1-CE1 4.18Å; L218-Y224 HydrophobicContact CD2-CD1 4.16Å; L218-Y224 HydrophobicContact CD2-CD2 4.35Å; L218-Y224 HydrophobicContact CD2-CE1 3.82Å; L218-Y224 HydrophobicContact CD2-CE2 4.03Å; L218-Y224 HydrophobicContact CD2-CG 4.4Å; L218-Y224 HydrophobicContact CG-CD1 4.41Å; L218-Y224 HydrophobicContact CG-CE1 4.47Å; D221-Y224 HydrophobicContact CB-CD2 3.82Å; D221-Y224 HydrophobicContact CB-CE2 4.27Å; D221-Y224 PolarHBondContact O-N 2.91Å; S222-Y224 VanDerWaalsContact C-N 3.29Å; S222-Y224 PolarHBondContact O-N 3.31Å; Y224-F227 PolarHBondContact O-N 3.04Å; Y224-F228 WeakPolarHBondContact O-CD2 3.45Å; Y224-F228 PolarHBondContact O-N 2.98Å
225	Q	95.1	Very high	94.2	Very high	85 Å²	85	69 Å²	69	40%	0.397	34%	0.342	S	S	.	.	H	α-helix	trans	-56.6	-53.4	174.5	-61.3	177.8	12.7	0	0	111.2	M219 D221 S222 F227 F228 E229	M219-Q225 HydrophobicContact CE-CB 4.46Å; M219-Q225 HydrophobicContact CE-CG 3.97Å; M219-Q225 WeakPolarHBondContact O-CG 3.21Å; M219-Q225 PolarHBondContact O-NE2 3.28Å; M219-Q225 HydrophobicContact SD-CG 4.2Å; D221-Q225 PolarHBondContact O-N 3.29Å; S222-Q225 PolarHBondContact O-N 3.32Å; Q225-F227 VanDerWaalsContact C-N 3.31Å; Q225-F227 PolarHBondContact O-N 3.46Å; Q225-F228 PolarHBondContact O-N 3.04Å; Q225-E229 WeakPolarHBondContact O-CB 3.43Å; Q225-E229 PolarHBondContact O-N 3.42Å
226	H	96.6	Very high	94.1	Very high	131 Å²	131	77 Å²	77	61%	0.606	38%	0.38	S	S	*	.	H	α-helix	trans	-63.8	-36.9	178.4	-64.5	102.7	0	0	0	112	S222 A230	S222-H226 PolarHBondContact O-N 3.2Å; S222-H226 PolarHBondContact O-ND1 3.3Å; H226-A230 VanDerWaalsContact O-CB 3.26Å; H226-A230 WeakPolarHBondContact O-CB 3.29Å; H226-A230 PolarHBondContact O-N 3.27Å
227	F	97.5	Very high	93.7	Very high	25 Å²	25	74.1 Å²	74.1	11%	0.11	36%	0.358	C	S	.	.	H	α-helix	trans	-64	-48.9	177.5	175.3	-91.9	0	0	0	111.9	Q139 R143 M146 F147 R223 Y224 Q225 A230 C231	Q139-F227 HydrophobicContact CB-CZ 3.91Å; R143-F227 HydrophobicContact CG-CE2 3.73Å; R143-F227 HydrophobicContact CG-CZ 4.27Å; M146-F227 HydrophobicContact CE-CB 3.99Å; M146-F227 HydrophobicContact CE-CD2 4.49Å; M146-F227 HydrophobicContact CE-CG 4.15Å; M146-F227 HydrophobicContact SD-CD2 4.19Å; M146-F227 HydrophobicContact SD-CG 4.44Å; F147-F227 AromaticContact CE2-CD1 3.89Å; F147-F227 HydrophobicContact CE2-CD1 3.89Å; F147-F227 AromaticContact CE2-CE1 3.53Å; F147-F227 HydrophobicContact CE2-CE1 3.53Å; F147-F227 AromaticContact CE2-CZ 3.93Å; F147-F227 HydrophobicContact CE2-CZ 3.93Å; F147-F227 AromaticContact CZ-CD1 3.84Å; F147-F227 HydrophobicContact CZ-CD1 3.84Å; F147-F227 AromaticContact CZ-CE1 3.75Å; F147-F227 HydrophobicContact CZ-CE1 3.75Å; R223-F227 VanDerWaalsContact O-CB 3.23Å; R223-F227 WeakPolarHBondContact O-CB 3.44Å; R223-F227 PolarHBondContact O-N 3.04Å; R223-F227 VanDerWaalsContact O-N 3.08Å; Y224-F227 PolarHBondContact O-N 3.04Å; Q225-F227 VanDerWaalsContact C-N 3.31Å; Q225-F227 PolarHBondContact O-N 3.46Å; F227-A230 PolarHBondContact O-N 3.45Å; F227-C231 PolarHBondContact O-N 3.23Å; F227-C231 PolarHBondContact O-SG 3.11Å
228	F	96.3	Very high	93.2	Very high	8 Å²	8	72.9 Å²	72.9	4%	0.035	36%	0.356	C	S	.	.	H	α-helix	trans	-67	-37.6	179	-71.4	-51.7	0	0	0	111.9	Y136 F147 L215 M219 Y224 Q225 C231 R232 I242	Y136-F228 AromaticContact CD1-CD1 3.83Å; Y136-F228 HydrophobicContact CD1-CD1 3.83Å; Y136-F228 HydrophobicContact CD1-CE1 4.47Å; Y136-F228 HydrophobicContact CE1-CB 4.26Å; Y136-F228 AromaticContact CE1-CD1 3.98Å; Y136-F228 HydrophobicContact CE1-CD1 3.98Å; Y136-F228 WeakPolarHBondContact CE1-O 3.3Å; F147-F228 HydrophobicContact CE1-CE1 4.37Å; F147-F228 AromaticContact CE1-CZ 3.82Å; F147-F228 HydrophobicContact CE1-CZ 3.82Å; F147-F228 HydrophobicContact CZ-CE1 4.07Å; F147-F228 AromaticContact CZ-CZ 3.84Å; F147-F228 HydrophobicContact CZ-CZ 3.84Å; L215-F228 HydrophobicContact CD2-CE2 4.1Å; L215-F228 HydrophobicContact CD2-CZ 3.99Å; M219-F228 HydrophobicContact SD-CD2 3.8Å; M219-F228 HydrophobicContact SD-CE2 4.37Å; Y224-F228 WeakPolarHBondContact O-CD2 3.45Å; Y224-F228 PolarHBondContact O-N 2.98Å; Q225-F228 PolarHBondContact O-N 3.04Å; F228-C231 PolarHBondContact O-N 2.98Å; F228-R232 WeakPolarHBondContact O-CB 3.09Å; F228-R232 PolarHBondContact O-N 2.96Å; F228-I242 HydrophobicContact CD1-CD1 3.71Å; F228-I242 HydrophobicContact CD1-CG2 4.49Å; F228-I242 HydrophobicContact CD2-CG2 4.44Å; F228-I242 HydrophobicContact CE1-CD1 3.51Å; F228-I242 HydrophobicContact CG-CG2 4.33Å; F228-I242 HydrophobicContact CZ-CD1 4.19Å
229	E	94.3	Very high	92.7	Very high	76 Å²	76	78.1 Å²	78.1	36%	0.355	38%	0.384	S	S	.	.	H	α-helix	trans	-65.4	-41.6	174.8	-176.4	57.2	-164.1	0	0	111.8	Q225 C231 R232 L233	Q225-E229 WeakPolarHBondContact O-CB 3.43Å; Q225-E229 PolarHBondContact O-N 3.42Å; E229-C231 VanDerWaalsContact C-N 3.34Å; E229-C231 PolarHBondContact O-N 3.25Å; E229-R232 WeakPolarHBondContact O-CB 3.37Å; E229-R232 PolarHBondContact O-N 2.74Å; E229-R232 IonicContact OE1-CZ 3.54Å; E229-R232 IonicContact OE1-NE 2.71Å; E229-R232 PolarHBondContact OE1-NE 3.33Å; E229-R232 IonicContact OE1-NH2 2.89Å; E229-R232 PolarHBondContact OE1-NH2 2.9Å; E229-R232 IonicContact OE2-CZ 2.76Å; E229-R232 IonicContact OE2-NE 3.56Å; E229-R232 PolarHBondContact OE2-NE 3.49Å; E229-R232 IonicContact OE2-NH2 3.18Å; E229-L233 HydrophobicContact CG-CD1 4.18Å; E229-L233 WeakPolarHBondContact O-CG 3.45Å; E229-L233 PolarHBondContact O-N 3.26Å
230	A	95.8	Very high	92.2	Very high	46 Å²	46	78.2 Å²	78.2	38%	0.38	39%	0.385	S	S	.	.	H	α-helix	trans	-61.5	-41.7	174.3	0	0	0	0	0	112	H226 F227 L233 L234	H226-A230 VanDerWaalsContact O-CB 3.26Å; H226-A230 WeakPolarHBondContact O-CB 3.29Å; H226-A230 PolarHBondContact O-N 3.27Å; F227-A230 PolarHBondContact O-N 3.45Å; A230-L233 PolarHBondContact O-N 3.31Å; A230-L234 WeakPolarHBondContact O-CB 3.39Å; A230-L234 VanDerWaalsContact O-CG 3.24Å; A230-L234 WeakPolarHBondContact O-CG 3.4Å; A230-L234 PolarHBondContact O-N 2.93Å
231	C	95.1	Very high	91.9	Very high	8 Å²	8	72.3 Å²	72.3	5%	0.054	37%	0.369	C	S	.	.	H	α-helix	trans	-61.4	-44.1	175.2	-66.3	0	0	0	0	111.6	G135 Y136 F227 F228 E229 L234 Q235	G135-C231 WeakPolarHBondContact O-CB 3.41Å; Y136-C231 HydrophobicContact CD1-CB 3.56Å; Y136-C231 HydrophobicContact CE1-CB 3.59Å; F227-C231 PolarHBondContact O-N 3.23Å; F227-C231 PolarHBondContact O-SG 3.11Å; F228-C231 PolarHBondContact O-N 2.98Å; E229-C231 VanDerWaalsContact C-N 3.34Å; E229-C231 PolarHBondContact O-N 3.25Å; C231-L234 PolarHBondContact O-N 3.12Å; C231-Q235 PolarHBondContact O-N 3.18Å; C231-Q235 VanDerWaalsContact O-N 3.16Å
232	R	94.9	Very high	91.7	Very high	22 Å²	22	70.2 Å²	70.2	8%	0.083	36%	0.358	C	S	.	.	H	α-helix	trans	-58.7	-49.3	177.8	-164.5	-174.3	66.2	83.3	-12.2	111.9	Y136 F228 E229 Q235 Q236 M237 I238 D239 I240	Y136-R232 VanDerWaalsContact OH-CB 3.31Å; Y136-R232 WeakPolarHBondContact OH-CB 3.41Å; F228-R232 WeakPolarHBondContact O-CB 3.09Å; F228-R232 PolarHBondContact O-N 2.96Å; E229-R232 WeakPolarHBondContact O-CB 3.37Å; E229-R232 PolarHBondContact O-N 2.74Å; E229-R232 IonicContact OE1-CZ 3.54Å; E229-R232 IonicContact OE1-NE 2.71Å; E229-R232 PolarHBondContact OE1-NE 3.33Å; E229-R232 IonicContact OE1-NH2 2.89Å; E229-R232 PolarHBondContact OE1-NH2 2.9Å; E229-R232 IonicContact OE2-CZ 2.76Å; E229-R232 IonicContact OE2-NE 3.56Å; E229-R232 PolarHBondContact OE2-NE 3.49Å; E229-R232 IonicContact OE2-NH2 3.18Å; R232-Q235 PolarHBondContact O-N 3.41Å; R232-Q236 PolarHBondContact O-N 2.77Å; R232-M237 HydrophobicContact CG-CB 3.82Å; R232-M237 HydrophobicContact CG-CG 4.5Å; R232-M237 PolarHBondContact NH1-O 2.61Å; R232-M237 VanDerWaalsContact NH1-O 3.11Å; R232-M237 PolarHBondContact O-N 3.11Å; R232-I238 PolarHBondContact NH1-O 3.25Å; R232-D239 IonicContact CZ-OD1 3.56Å; R232-D239 IonicContact NE-OD1 3.64Å; R232-D239 IonicContact NH1-OD1 2.75Å; R232-D239 IonicContact NH2-OD1 3.47Å; R232-D239 PolarHBondContact NH2-OD1 2.82Å; R232-I240 WeakPolarHBondContact CD-O 3.2Å
233	L	92.6	Very high	91.2	Very high	101 Å²	101	71.1 Å²	71.1	53%	0.529	36%	0.358	S	S	.	.	H	α-helix	trans	-67	-42	-178.4	-68.6	173.7	0	0	0	112.1	E229 A230 Q235 Q236	E229-L233 HydrophobicContact CG-CD1 4.18Å; E229-L233 WeakPolarHBondContact O-CG 3.45Å; E229-L233 PolarHBondContact O-N 3.26Å; A230-L233 PolarHBondContact O-N 3.31Å; L233-Q235 VanDerWaalsContact C-N 3.32Å; L233-Q235 PolarHBondContact O-N 3.39Å; L233-Q236 PolarHBondContact O-N 2.67Å; L233-Q236 VanDerWaalsContact O-N 3.08Å
234	L	91.5	Very high	90.6	Very high	145 Å²	145	64.9 Å²	64.9	76%	0.759	34%	0.342	S	S	*	.	H	α-helix	trans	-64.1	-36.6	179.3	-75.9	172.7	0	0	0	112.6	A230 C231 Q236	A230-L234 WeakPolarHBondContact O-CB 3.39Å; A230-L234 VanDerWaalsContact O-CG 3.24Å; A230-L234 WeakPolarHBondContact O-CG 3.4Å; A230-L234 PolarHBondContact O-N 2.93Å; C231-L234 PolarHBondContact O-N 3.12Å; L234-Q236 VanDerWaalsContact C-N 3.25Å
235	Q	87.7	Confident	90.4	Very high	52 Å²	52	64 Å²	64	24%	0.243	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	2	176.8	-162.5	67.5	14.1	0	0	112.6	D131 C231 R232 L233 M237	D131-Q235 HydrophobicContact CB-CG 3.93Å; D131-Q235 WeakPolarHBondContact OD1-CG 3.48Å; D131-Q235 PolarHBondContact OD1-NE2 3.41Å; C231-Q235 PolarHBondContact O-N 3.18Å; C231-Q235 VanDerWaalsContact O-N 3.16Å; R232-Q235 PolarHBondContact O-N 3.41Å; L233-Q235 VanDerWaalsContact C-N 3.32Å; L233-Q235 PolarHBondContact O-N 3.39Å; Q235-M237 VanDerWaalsContact C-N 3.26Å; Q235-M237 HydrophobicContact CB-CE 3.47Å; Q235-M237 VanDerWaalsContact CB-CE 3.47Å; Q235-M237 HydrophobicContact CB-CG 3.93Å; Q235-M237 HydrophobicContact CG-CE 3.63Å; Q235-M237 HydrophobicContact CG-CG 4.16Å; Q235-M237 PolarHBondContact O-N 3.35Å
236	Q	89.7	Confident	90.3	Very high	174 Å²	174	60 Å²	60	81%	0.813	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	40.8	179.8	-56.8	-179.9	-7.2	0	0	112.9	R232 L233 L234	R232-Q236 PolarHBondContact O-N 2.77Å; L233-Q236 PolarHBondContact O-N 2.67Å; L233-Q236 VanDerWaalsContact O-N 3.08Å; L234-Q236 VanDerWaalsContact C-N 3.25Å
237	M	81.8	Confident	89.9	Confident	13 Å²	13	56.7 Å²	56.7	6%	0.064	31%	0.306	C	S	.	.			trans	-77.8	154.6	177.8	-52.5	-174.7	-153.1	0	0	110.7	D131 Y136 R232 Q235 F245	D131-M237 HydrophobicContact CB-CE 4.07Å; D131-M237 HydrophobicContact CB-CG 4.28Å; D131-M237 HydrophobicContact CB-SD 4.18Å; D131-M237 VanDerWaalsContact O-CE 3.27Å; D131-M237 WeakPolarHBondContact O-CE 3.29Å; Y136-M237 HydrophobicContact CD2-CE 3.69Å; Y136-M237 HydrophobicContact CD2-SD 4.27Å; Y136-M237 HydrophobicContact CE2-CE 3.4Å; Y136-M237 HydrophobicContact CE2-SD 3.48Å; Y136-M237 WeakPolarHBondContact CE2-SD 3.46Å; Y136-M237 HydrophobicContact CG-CE 4.48Å; R232-M237 HydrophobicContact CG-CB 3.82Å; R232-M237 HydrophobicContact CG-CG 4.5Å; R232-M237 PolarHBondContact NH1-O 2.61Å; R232-M237 VanDerWaalsContact NH1-O 3.11Å; R232-M237 PolarHBondContact O-N 3.11Å; Q235-M237 VanDerWaalsContact C-N 3.26Å; Q235-M237 HydrophobicContact CB-CE 3.47Å; Q235-M237 VanDerWaalsContact CB-CE 3.47Å; Q235-M237 HydrophobicContact CB-CG 3.93Å; Q235-M237 HydrophobicContact CG-CE 3.63Å; Q235-M237 HydrophobicContact CG-CG 4.16Å; Q235-M237 PolarHBondContact O-N 3.35Å; M237-F245 HydrophobicContact CB-CE2 4.05Å; M237-F245 HydrophobicContact CB-CZ 3.82Å; M237-F245 HydrophobicContact CG-CZ 4.39Å; M237-F245 HydrophobicContact SD-CD2 4.36Å; M237-F245 HydrophobicContact SD-CE2 3.97Å; M237-F245 HydrophobicContact SD-CZ 4.08Å
238	I	80.4	Confident	89.7	Confident	97 Å²	97	56.4 Å²	56.4	50%	0.497	31%	0.306	S	S	.	.			trans	-59	161.7	170.3	55.6	176	0	0	0	111.2	R232 I240 F245	R232-I238 PolarHBondContact NH1-O 3.25Å; I238-I240 HydrophobicContact CD1-CD1 3.4Å; I238-I240 HydrophobicContact CD1-CG1 3.9Å; I238-I240 HydrophobicContact CG1-CB 4.41Å; I238-I240 HydrophobicContact CG1-CD1 4Å; I238-I240 HydrophobicContact CG1-CG1 3.96Å; I238-I240 PolarHBondContact O-N 2.9Å; I238-F245 HydrophobicContact CG1-CZ 3.76Å
239	D	83.8	Confident	89.7	Confident	119 Å²	119	56 Å²	56	64%	0.636	31%	0.305	S	S	*	.	S	Bend	trans	-76.6	62.3	-177.3	-161.6	42	0	0	0	112	R232	R232-D239 IonicContact CZ-OD1 3.56Å; R232-D239 IonicContact NE-OD1 3.64Å; R232-D239 IonicContact NH1-OD1 2.75Å; R232-D239 IonicContact NH2-OD1 3.47Å; R232-D239 PolarHBondContact NH2-OD1 2.82Å
240	I	82.9	Confident	89.4	Confident	72 Å²	72	53.3 Å²	53.3	37%	0.369	29%	0.293	S	S	.	.			trans	-121	133.8	172.3	-60.7	-173.8	0	0	0	106.2	R232 I238 F245	R232-I240 WeakPolarHBondContact CD-O 3.2Å; I238-I240 HydrophobicContact CD1-CD1 3.4Å; I238-I240 HydrophobicContact CD1-CG1 3.9Å; I238-I240 HydrophobicContact CG1-CB 4.41Å; I238-I240 HydrophobicContact CG1-CD1 4Å; I238-I240 HydrophobicContact CG1-CG1 3.96Å; I238-I240 PolarHBondContact O-N 2.9Å; I240-F245 HydrophobicContact CB-CD2 4.24Å; I240-F245 HydrophobicContact CB-CE2 3.84Å; I240-F245 HydrophobicContact CB-CZ 4.41Å; I240-F245 HydrophobicContact CG2-CD2 4.18Å; I240-F245 HydrophobicContact CG2-CE2 4.29Å; I240-F245 WeakPolarHBondContact O-CE2 3.17Å
241	A	86.7	Confident	88.8	Confident	53 Å²	53	53 Å²	53	44%	0.438	28%	0.284	S	S	.	.			trans	-69.4	163.9	176.5	0	0	0	0	0	111.5	D243 G244 F245	A241-D243 VanDerWaalsContact C-N 3.25Å; A241-D243 WeakPolarHBondContact CB-OD1 3.37Å; A241-D243 PolarHBondContact O-N 3.25Å; A241-G244 PolarHBondContact O-N 3.49Å; A241-G244 VanDerWaalsContact O-N 3.09Å; A241-F245 PolarHBondContact O-N 3.43Å
242	I	91.9	Very high	88.8	Confident	6 Å²	6	53.1 Å²	53.1	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-58.6	-36	-174.2	-175.2	175	0	0	0	113	Y136 F156 L215 F228 F245 L246	Y136-I242 HydrophobicContact CD1-CD1 3.73Å; Y136-I242 HydrophobicContact CD1-CG1 4.31Å; Y136-I242 HydrophobicContact CD2-CD1 4.15Å; Y136-I242 HydrophobicContact CD2-CG1 4.07Å; Y136-I242 HydrophobicContact CE1-CB 4.22Å; Y136-I242 HydrophobicContact CE1-CD1 4.1Å; Y136-I242 HydrophobicContact CE1-CG1 4.31Å; Y136-I242 HydrophobicContact CE2-CB 4.3Å; Y136-I242 HydrophobicContact CE2-CG1 4.08Å; Y136-I242 HydrophobicContact CG-CD1 3.75Å; Y136-I242 HydrophobicContact CG-CG1 4.19Å; F156-I242 HydrophobicContact CE1-CD1 4.14Å; F156-I242 HydrophobicContact CZ-CD1 4.07Å; L215-I242 HydrophobicContact CD1-CG2 4.34Å; L215-I242 HydrophobicContact CD2-CD1 4.47Å; L215-I242 HydrophobicContact CD2-CG2 4Å; F228-I242 HydrophobicContact CD1-CD1 3.71Å; F228-I242 HydrophobicContact CD1-CG2 4.49Å; F228-I242 HydrophobicContact CD2-CG2 4.44Å; F228-I242 HydrophobicContact CE1-CD1 3.51Å; F228-I242 HydrophobicContact CG-CG2 4.33Å; F228-I242 HydrophobicContact CZ-CD1 4.19Å; I242-F245 PolarHBondContact O-N 3.17Å; I242-L246 HydrophobicContact CG1-CD1 4.04Å; I242-L246 HydrophobicContact CG1-CG 4.34Å; I242-L246 WeakPolarHBondContact O-CG 3.45Å; I242-L246 PolarHBondContact O-N 3.34Å
243	D	86.4	Confident	88.7	Confident	83 Å²	83	52.1 Å²	52.1	44%	0.444	28%	0.28	S	S	.	.	H	α-helix	trans	-60.2	-43	175.4	58.2	-25.2	0	0	0	112.1	L215 A241 F245 L246 L247	L215-D243 HydrophobicContact CD1-CB 4.35Å; A241-D243 VanDerWaalsContact C-N 3.25Å; A241-D243 WeakPolarHBondContact CB-OD1 3.37Å; A241-D243 PolarHBondContact O-N 3.25Å; D243-F245 VanDerWaalsContact C-N 3.33Å; D243-F245 PolarHBondContact O-N 2.98Å; D243-L246 PolarHBondContact O-N 3.42Å; D243-L247 PolarHBondContact O-N 3.37Å
244	G	85.3	Confident	88.4	Confident	23 Å²	23	48 Å²	48	24%	0.237	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-38.3	174.2	0	0	0	0	0	113	A241 L247	A241-G244 PolarHBondContact O-N 3.49Å; A241-G244 VanDerWaalsContact O-N 3.09Å; G244-L247 PolarHBondContact O-N 2.98Å
245	F	91.4	Very high	88.2	Confident	5 Å²	5	44.1 Å²	44.1	2%	0.022	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-41.2	173.6	-84	-74.2	0	0	0	112.6	H128 I132 M237 I238 I240 A241 I242 D243 L247 T248	H128-F245 HydrophobicContact CB-CD1 4.42Å; H128-F245 AromaticContact ND1-CE1 3.79Å; I132-F245 HydrophobicContact CD1-CB 3.96Å; I132-F245 WeakPolarHBondContact CD1-O 3.41Å; I132-F245 HydrophobicContact CG1-CB 3.95Å; I132-F245 HydrophobicContact CG1-CD1 4.47Å; I132-F245 HydrophobicContact CG1-CG 4.5Å; M237-F245 HydrophobicContact CB-CE2 4.05Å; M237-F245 HydrophobicContact CB-CZ 3.82Å; M237-F245 HydrophobicContact CG-CZ 4.39Å; M237-F245 HydrophobicContact SD-CD2 4.36Å; M237-F245 HydrophobicContact SD-CE2 3.97Å; M237-F245 HydrophobicContact SD-CZ 4.08Å; I238-F245 HydrophobicContact CG1-CZ 3.76Å; I240-F245 HydrophobicContact CB-CD2 4.24Å; I240-F245 HydrophobicContact CB-CE2 3.84Å; I240-F245 HydrophobicContact CB-CZ 4.41Å; I240-F245 HydrophobicContact CG2-CD2 4.18Å; I240-F245 HydrophobicContact CG2-CE2 4.29Å; I240-F245 WeakPolarHBondContact O-CE2 3.17Å; A241-F245 PolarHBondContact O-N 3.43Å; I242-F245 PolarHBondContact O-N 3.17Å; D243-F245 VanDerWaalsContact C-N 3.33Å; D243-F245 PolarHBondContact O-N 2.98Å; F245-L247 PolarHBondContact O-N 3.01Å; F245-T248 WeakPolarHBondContact O-CB 3.47Å; F245-T248 WeakPolarHBondContact O-CG2 3.34Å; F245-T248 PolarHBondContact O-N 2.95Å; F245-T248 VanDerWaalsContact O-N 3.11Å; F245-T248 PolarHBondContact O-OG1 2.81Å
246	L	93.3	Very high	88.7	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-69.8	-16.6	178.5	-68.6	171	0	0	0	113	I132 I155 F156 Y204 H208 L215 I242 D243 T248 P249	I132-L246 HydrophobicContact CG2-CD2 4.02Å; I155-L246 HydrophobicContact CG2-CD1 4.1Å; F156-L246 HydrophobicContact CD1-CD2 4.01Å; F156-L246 HydrophobicContact CE1-CD2 4.4Å; Y204-L246 VanDerWaalsContact CE1-O 3.31Å; Y204-L246 WeakPolarHBondContact CE1-O 3.25Å; Y204-L246 WeakPolarHBondContact OH-CA 3.41Å; Y204-L246 PolarHBondContact OH-O 3.23Å; H208-L246 PolarHBondContact CE1-O 2.9Å; L215-L246 HydrophobicContact CD1-CD1 3.56Å; I242-L246 HydrophobicContact CG1-CD1 4.04Å; I242-L246 HydrophobicContact CG1-CG 4.34Å; I242-L246 WeakPolarHBondContact O-CG 3.45Å; I242-L246 PolarHBondContact O-N 3.34Å; D243-L246 PolarHBondContact O-N 3.42Å; L246-T248 VanDerWaalsContact C-N 3.33Å; L246-P249 WeakPolarHBondContact O-CD 3.31Å
247	L	89.4	Confident	88.8	Confident	61 Å²	61	34 Å²	34	32%	0.319	19%	0.19	S	C	.	.	H	α-helix	trans	-76.5	-20.1	172	-173.9	62.3	0	0	0	112.8	H208 D243 G244 F245 P249 V250 Q251	H208-L247 WeakPolarHBondContact NE2-CD1 3.47Å; D243-L247 PolarHBondContact O-N 3.37Å; G244-L247 PolarHBondContact O-N 2.98Å; F245-L247 PolarHBondContact O-N 3.01Å; L247-P249 VanDerWaalsContact C-CD 3.49Å; L247-V250 HydrophobicContact CD1-CB 4.14Å; L247-V250 HydrophobicContact CD1-CG2 4.45Å; L247-V250 WeakPolarHBondContact O-CB 3.47Å; L247-V250 PolarHBondContact O-N 3.28Å; L247-V250 VanDerWaalsContact O-N 3.1Å; L247-Q251 HydrophobicContact CG-CG 4.07Å; L247-Q251 PolarHBondContact O-N 2.72Å
248	T	91.9	Very high	89	Confident	19 Å²	19	34.3 Å²	34.3	12%	0.117	19%	0.192	C	C	.	.	H	α-helix	trans	-59.1	-37.1	-172.9	62.2	0	0	0	0	115.1	F245 L246 V250 Q251 K252	F245-T248 WeakPolarHBondContact O-CB 3.47Å; F245-T248 WeakPolarHBondContact O-CG2 3.34Å; F245-T248 PolarHBondContact O-N 2.95Å; F245-T248 VanDerWaalsContact O-N 3.11Å; F245-T248 PolarHBondContact O-OG1 2.81Å; L246-T248 VanDerWaalsContact C-N 3.33Å; T248-V250 PolarHBondContact O-N 2.69Å; T248-Q251 PolarHBondContact O-N 3.27Å; T248-K252 WeakPolarHBondContact O-CB 3.19Å; T248-K252 PolarHBondContact O-N 3.08Å
249	P	96	Very high	89.6	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.7	-37.5	175.3	-20.8	35.5	0	0	0	113.1	Y125 L129 I159 I162 Y201 Y204 L246 L247 K252 I253	Y125-P249 HydrophobicContact CE2-CG 4.39Å; Y125-P249 VanDerWaalsContact OH-CA 3.29Å; Y125-P249 WeakPolarHBondContact OH-CA 3.49Å; Y125-P249 VanDerWaalsContact OH-CB 3.31Å; Y125-P249 WeakPolarHBondContact OH-CB 3.5Å; L129-P249 HydrophobicContact CD2-CG 4.12Å; I159-P249 HydrophobicContact CD1-CG 3.55Å; I162-P249 HydrophobicContact CD1-CB 4.19Å; Y201-P249 HydrophobicContact CD1-CB 4.15Å; Y201-P249 HydrophobicContact CE1-CB 3.77Å; Y201-P249 WeakPolarHBondContact CE1-O 3.41Å; Y204-P249 HydrophobicContact CD1-CB 3.84Å; Y204-P249 HydrophobicContact CD1-CG 4.23Å; Y204-P249 HydrophobicContact CE1-CB 3.69Å; Y204-P249 HydrophobicContact CE1-CG 3.61Å; L246-P249 WeakPolarHBondContact O-CD 3.31Å; L247-P249 VanDerWaalsContact C-CD 3.49Å; P249-K252 PolarHBondContact O-N 3.36Å; P249-I253 PolarHBondContact O-N 3.18Å; P249-I253 VanDerWaalsContact O-N 3.13Å
250	V	88.2	Confident	90.2	Very high	20 Å²	20	24.2 Å²	24.2	12%	0.121	14%	0.139	C	C	.	.	H	α-helix	trans	-64.8	-42.5	176.5	-173.5	0	0	0	0	110.2	W24 Y204 H208 L247 T248 K252 I253	W24-V250 HydrophobicContact CH2-CG1 4.3Å; W24-V250 HydrophobicContact CZ2-CG1 4.13Å; Y204-V250 HydrophobicContact CD1-CG2 4.05Å; Y204-V250 HydrophobicContact CE1-CG2 4.01Å; H208-V250 HydrophobicContact CB-CG2 4.44Å; L247-V250 HydrophobicContact CD1-CB 4.14Å; L247-V250 HydrophobicContact CD1-CG2 4.45Å; L247-V250 WeakPolarHBondContact O-CB 3.47Å; L247-V250 PolarHBondContact O-N 3.28Å; L247-V250 VanDerWaalsContact O-N 3.1Å; T248-V250 PolarHBondContact O-N 2.69Å; V250-K252 VanDerWaalsContact C-N 3.34Å; V250-I253 WeakPolarHBondContact O-CG2 3.39Å
251	Q	84.7	Confident	90.6	Very high	39 Å²	39	22.1 Å²	22.1	18%	0.182	13%	0.132	C	C	.	.	H	α-helix	trans	-65.9	-38.5	174.6	-69.3	172.2	-17.9	0	0	111.9	L247 T248 C254 K255	L247-Q251 HydrophobicContact CG-CG 4.07Å; L247-Q251 PolarHBondContact O-N 2.72Å; T248-Q251 PolarHBondContact O-N 3.27Å; Q251-C254 PolarHBondContact O-N 2.75Å; Q251-K255 WeakPolarHBondContact O-CG 3.42Å; Q251-K255 PolarHBondContact O-N 3.28Å
252	K	94.4	Very high	90.9	Very high	10 Å²	10	20.2 Å²	20.2	4%	0.043	12%	0.115	C	C	.	.	H	α-helix	trans	-68.6	-45	-173.2	-174.8	55.2	173.6	163.7	0	112.2	E122 Y125 T248 P249 V250 C254 K255 Y256	E122-K252 WeakPolarHBondContact OE1-CE 3.34Å; E122-K252 IonicContact OE1-NZ 2.74Å; E122-K252 PolarHBondContact OE1-NZ 2.66Å; Y125-K252 HydrophobicContact CD1-CB 4.41Å; Y125-K252 HydrophobicContact CD1-CD 4.36Å; Y125-K252 HydrophobicContact CD1-CG 3.71Å; Y125-K252 HydrophobicContact CD2-CB 4.19Å; Y125-K252 HydrophobicContact CD2-CG 4.28Å; Y125-K252 HydrophobicContact CE1-CB 4.13Å; Y125-K252 HydrophobicContact CE1-CG 3.7Å; Y125-K252 HydrophobicContact CE2-CB 3.92Å; Y125-K252 HydrophobicContact CE2-CG 4.28Å; Y125-K252 HydrophobicContact CG-CB 4.43Å; Y125-K252 HydrophobicContact CG-CD 4.38Å; Y125-K252 HydrophobicContact CG-CG 4Å; T248-K252 WeakPolarHBondContact O-CB 3.19Å; T248-K252 PolarHBondContact O-N 3.08Å; P249-K252 PolarHBondContact O-N 3.36Å; V250-K252 VanDerWaalsContact C-N 3.34Å; K252-C254 PolarHBondContact O-N 2.7Å; K252-K255 PolarHBondContact O-N 3.24Å; K252-Y256 HydrophobicContact CD-CE1 4.29Å; K252-Y256 WeakPolarHBondContact CE-OH 3.35Å; K252-Y256 HydrophobicContact CG-CE2 3.98Å; K252-Y256 WeakPolarHBondContact O-CD2 3.25Å; K252-Y256 PolarHBondContact O-N 3Å
253	I	93.2	Very high	91.1	Very high	1 Å²	1	20 Å²	20	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-59.6	-33.2	-179.9	-166.3	63	0	0	0	112	F198 Y201 P249 V250 Y256 M284 V287 T288 I291	F198-I253 HydrophobicContact CB-CD1 4.19Å; F198-I253 HydrophobicContact CD1-CD1 3.87Å; F198-I253 HydrophobicContact CG-CD1 4.35Å; Y201-I253 HydrophobicContact CD1-CB 3.88Å; Y201-I253 HydrophobicContact CD1-CG1 4.39Å; Y201-I253 HydrophobicContact CD1-CG2 4.34Å; Y201-I253 HydrophobicContact CD2-CD1 4.3Å; Y201-I253 HydrophobicContact CE1-CB 4.35Å; Y201-I253 HydrophobicContact CG-CB 4.27Å; Y201-I253 HydrophobicContact CG-CD1 4.19Å; Y201-I253 HydrophobicContact CG-CG1 4.27Å; P249-I253 PolarHBondContact O-N 3.18Å; P249-I253 VanDerWaalsContact O-N 3.13Å; V250-I253 WeakPolarHBondContact O-CG2 3.39Å; I253-Y256 HydrophobicContact CD1-CD2 4.14Å; I253-Y256 HydrophobicContact CD1-CE2 4.35Å; I253-M284 HydrophobicContact CD1-CE 3.81Å; I253-V287 HydrophobicContact CD1-CG1 3.97Å; I253-V287 HydrophobicContact CG1-CG1 4.34Å; I253-T288 PolarHBondContact O-OG1 2.92Å; I253-I291 HydrophobicContact CG1-CD1 3.75Å
254	C	85.6	Confident	91.6	Very high	14 Å²	14	17.7 Å²	17.7	10%	0.095	10%	0.101	C	C	.	.	H	α-helix	trans	-80	-18.1	176.7	-62.9	0	0	0	0	114.7	V23 W24 Q251 K252 T288	V23-C254 HydrophobicContact CG1-CB 3.79Å; W24-C254 HydrophobicContact CH2-CB 4.15Å; W24-C254 WeakPolarHBondContact CH2-SG 3.45Å; W24-C254 HydrophobicContact CZ2-CB 3.73Å; W24-C254 WeakPolarHBondContact CZ2-SG 3.49Å; Q251-C254 PolarHBondContact O-N 2.75Å; K252-C254 PolarHBondContact O-N 2.7Å; C254-T288 HydrophobicContact CB-CG2 4.34Å; C254-T288 WeakPolarHBondContact SG-CG2 3.36Å
255	K	87.6	Confident	92	Very high	64 Å²	64	21 Å²	21	28%	0.278	11%	0.109	S	C	.	.	H	α-helix	trans	-80.3	-26.1	177.7	-75.7	174.4	-179.6	-175.8	0	113	V23 Q251 K252 L258 Q259	V23-K255 HydrophobicContact CG1-CG 4.3Å; Q251-K255 WeakPolarHBondContact O-CG 3.42Å; Q251-K255 PolarHBondContact O-N 3.28Å; K252-K255 PolarHBondContact O-N 3.24Å; K255-L258 PolarHBondContact O-N 3.48Å; K255-Q259 WeakPolarHBondContact O-CG 3.39Å; K255-Q259 PolarHBondContact O-N 3.06Å
256	Y	96.9	Very high	92.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.9	-45.7	-177.4	-67.3	-57.6	0	0	0	114.3	E122 F169 F191 F198 K252 I253 L258 Q259 L260 M284	E122-Y256 WeakPolarHBondContact OE1-CE1 3.06Å; E122-Y256 PolarHBondContact OE2-OH 3.47Å; F169-Y256 HydrophobicContact CE1-CE1 4.18Å; F191-Y256 AromaticContact CE1-CD1 3.51Å; F191-Y256 HydrophobicContact CE1-CD1 3.51Å; F191-Y256 AromaticContact CE1-CE1 3.92Å; F191-Y256 HydrophobicContact CE1-CE1 3.92Å; F191-Y256 AromaticContact CE1-CG 3.96Å; F191-Y256 HydrophobicContact CE1-CG 3.96Å; F191-Y256 AromaticContact CZ-CD1 3.89Å; F191-Y256 HydrophobicContact CZ-CD1 3.89Å; F191-Y256 HydrophobicContact CZ-CE1 4.21Å; F198-Y256 HydrophobicContact CD1-CE2 4.19Å; F198-Y256 HydrophobicContact CE1-CD2 4.2Å; F198-Y256 AromaticContact CE1-CE2 3.58Å; F198-Y256 HydrophobicContact CE1-CE2 3.58Å; F198-Y256 AromaticContact CE1-CZ 3.98Å; F198-Y256 HydrophobicContact CZ-CE2 4.41Å; K252-Y256 HydrophobicContact CD-CE1 4.29Å; K252-Y256 WeakPolarHBondContact CE-OH 3.35Å; K252-Y256 HydrophobicContact CG-CE2 3.98Å; K252-Y256 WeakPolarHBondContact O-CD2 3.25Å; K252-Y256 PolarHBondContact O-N 3Å; I253-Y256 HydrophobicContact CD1-CD2 4.14Å; I253-Y256 HydrophobicContact CD1-CE2 4.35Å; Y256-L258 VanDerWaalsContact C-N 3.27Å; Y256-L258 PolarHBondContact O-N 3.38Å; Y256-Q259 PolarHBondContact O-N 3.01Å; Y256-L260 WeakPolarHBondContact O-CB 3.32Å; Y256-L260 WeakPolarHBondContact O-CG 3.16Å; Y256-L260 PolarHBondContact O-N 3.27Å; Y256-M284 HydrophobicContact CD2-CE 3.52Å; Y256-M284 HydrophobicContact CE2-CE 4.33Å; Y256-M284 HydrophobicContact CG-CE 3.96Å
257	P	92.3	Very high	92.4	Very high	13 Å²	13	22.3 Å²	22.3	8%	0.084	11%	0.114	C	C	.	.	H	α-helix	trans	-56.7	-40.1	175	-27.9	37.1	0	0	0	113.3	A261 L281 M284 R285	P257-A261 VanDerWaalsContact O-CB 3.25Å; P257-A261 WeakPolarHBondContact O-CB 3.46Å; P257-A261 PolarHBondContact O-N 3Å; P257-L281 HydrophobicContact CB-CD1 4.22Å; P257-L281 WeakPolarHBondContact O-CD1 3.35Å; P257-M284 HydrophobicContact CG-CB 4.15Å; P257-R285 HydrophobicContact CB-CG 3.87Å; P257-R285 HydrophobicContact CG-CG 4.33Å
258	L	87.4	Confident	92.6	Very high	21 Å²	21	20 Å²	20	11%	0.11	10%	0.104	C	C	.	.	H	α-helix	trans	-68.8	-43	179.8	-53.2	-178.4	0	0	0	111.2	E21 V23 R70 K255 Y256 A261 E262	E21-L258 HydrophobicContact CG-CD2 4.47Å; E21-L258 WeakPolarHBondContact OE1-CD2 3.26Å; V23-L258 HydrophobicContact CB-CD1 4.17Å; V23-L258 HydrophobicContact CG1-CD1 4.15Å; V23-L258 HydrophobicContact CG2-CD1 3.67Å; R70-L258 HydrophobicContact CB-CD1 4.27Å; R70-L258 PolarHBondContact NH1-O 3.39Å; K255-L258 PolarHBondContact O-N 3.48Å; Y256-L258 VanDerWaalsContact C-N 3.27Å; Y256-L258 PolarHBondContact O-N 3.38Å; L258-A261 PolarHBondContact O-N 3.15Å; L258-E262 WeakPolarHBondContact O-CB 3.41Å; L258-E262 PolarHBondContact O-N 3.36Å
259	Q	91.3	Very high	92.8	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.019	13%	0.133	C	C	.	.	H	α-helix	trans	-63.3	-42.4	178.3	-72	-179.2	-51.4	0	0	111.3	E117 I118 T121 K255 Y256 L263	E117-Q259 PolarHBondContact OE1-NE2 3.46Å; I118-Q259 HydrophobicContact CD1-CB 4.17Å; I118-Q259 HydrophobicContact CG1-CB 4Å; I118-Q259 HydrophobicContact CG1-CG 4.37Å; T121-Q259 PolarHBondContact OG1-NE2 2.9Å; K255-Q259 WeakPolarHBondContact O-CG 3.39Å; K255-Q259 PolarHBondContact O-N 3.06Å; Y256-Q259 PolarHBondContact O-N 3.01Å; Q259-L263 WeakPolarHBondContact O-CB 3.41Å; Q259-L263 PolarHBondContact O-N 3.44Å
260	L	97.2	Very high	92.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-72.1	-34.7	177.6	-70.4	169.3	0	0	0	112.9	F191 Y256 L263 L264 V277 A280 L281 M284	F191-L260 HydrophobicContact CD1-CD1 4.07Å; F191-L260 HydrophobicContact CD2-CD2 4.03Å; F191-L260 HydrophobicContact CE1-CD1 4.15Å; F191-L260 HydrophobicContact CE2-CD2 3.88Å; F191-L260 HydrophobicContact CG-CD1 4.27Å; F191-L260 HydrophobicContact CZ-CD1 4.43Å; F191-L260 HydrophobicContact CZ-CD2 4.24Å; F191-L260 HydrophobicContact CZ-CG 4.44Å; Y256-L260 WeakPolarHBondContact O-CB 3.32Å; Y256-L260 WeakPolarHBondContact O-CG 3.16Å; Y256-L260 PolarHBondContact O-N 3.27Å; L260-L263 PolarHBondContact O-N 3.06Å; L260-L264 WeakPolarHBondContact O-CB 3.49Å; L260-L264 PolarHBondContact O-N 3.2Å; L260-V277 HydrophobicContact CD2-CG1 4.38Å; L260-A280 HydrophobicContact CD1-CB 4.04Å; L260-A280 HydrophobicContact CD2-CB 4.35Å; L260-L281 HydrophobicContact CB-CB 4.08Å; L260-L281 HydrophobicContact CB-CD1 4.06Å; L260-M284 HydrophobicContact CD1-CB 4.1Å; L260-M284 HydrophobicContact CD1-CG 3.66Å
261	A	92	Very high	93.2	Very high	28 Å²	28	33.9 Å²	33.9	23%	0.231	17%	0.171	C	C	.	.	H	α-helix	trans	-65	-45.6	174.5	0	0	0	0	0	111.5	P257 L258 L263 L264 K265 L281	P257-A261 VanDerWaalsContact O-CB 3.25Å; P257-A261 WeakPolarHBondContact O-CB 3.46Å; P257-A261 PolarHBondContact O-N 3Å; L258-A261 PolarHBondContact O-N 3.15Å; A261-L263 VanDerWaalsContact C-N 3.33Å; A261-L263 PolarHBondContact O-N 3.13Å; A261-L264 PolarHBondContact O-N 3.34Å; A261-K265 PolarHBondContact O-N 3.24Å; A261-L281 HydrophobicContact CB-CD1 4.06Å; A261-L281 HydrophobicContact CB-CD2 4.05Å
262	E	92.2	Very high	93.8	Very high	13 Å²	13	35.3 Å²	35.3	6%	0.061	19%	0.185	C	C	.	.	H	α-helix	trans	-64	-39.3	175.6	-174.1	69.1	171.2	0	0	111.3	V114 L258 K265 Y266	V114-E262 HydrophobicContact CG1-CG 4.44Å; V114-E262 HydrophobicContact CG2-CG 3.75Å; L258-E262 WeakPolarHBondContact O-CB 3.41Å; L258-E262 PolarHBondContact O-N 3.36Å; E262-K265 WeakPolarHBondContact O-CB 3.45Å; E262-K265 PolarHBondContact O-N 3.35Å; E262-Y266 HydrophobicContact CG-CE2 4.22Å; E262-Y266 VanDerWaalsContact O-CD2 3.26Å; E262-Y266 WeakPolarHBondContact O-CD2 3.42Å; E262-Y266 WeakPolarHBondContact OE1-CE2 3.48Å
263	L	96.4	Very high	94	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.6	-48.4	173.4	-177.1	62.5	0	0	0	111	R111 V114 I115 I118 I187 Q259 L260 A261 K265 Y266 T267 V277	R111-L263 HydrophobicContact CG-CD1 3.92Å; V114-L263 HydrophobicContact CB-CD1 4.32Å; V114-L263 HydrophobicContact CG1-CB 3.86Å; V114-L263 HydrophobicContact CG1-CD1 4.06Å; I115-L263 HydrophobicContact CD1-CD1 3.63Å; I115-L263 HydrophobicContact CD1-CD2 4.02Å; I115-L263 HydrophobicContact CG1-CD1 3.97Å; I118-L263 HydrophobicContact CD1-CD2 4.42Å; I187-L263 HydrophobicContact CD1-CD2 3.84Å; I187-L263 HydrophobicContact CG1-CD2 3.87Å; Q259-L263 WeakPolarHBondContact O-CB 3.41Å; Q259-L263 PolarHBondContact O-N 3.44Å; L260-L263 PolarHBondContact O-N 3.06Å; A261-L263 VanDerWaalsContact C-N 3.33Å; A261-L263 PolarHBondContact O-N 3.13Å; L263-K265 VanDerWaalsContact C-N 3.28Å; L263-K265 PolarHBondContact O-N 3.32Å; L263-Y266 PolarHBondContact O-N 3.12Å; L263-T267 PolarHBondContact O-N 3.37Å; L263-T267 PolarHBondContact O-OG1 3.4Å; L263-V277 HydrophobicContact CB-CG1 4.28Å; L263-V277 HydrophobicContact CD2-CG1 3.99Å; L263-V277 HydrophobicContact CD2-CG2 3.76Å; L263-V277 HydrophobicContact CG-CG1 4.13Å; L263-V277 HydrophobicContact CG-CG2 4.35Å
264	L	96.8	Very high	94.3	Very high	35 Å²	35	37.9 Å²	37.9	18%	0.183	20%	0.195	C	C	.	.	H	α-helix	trans	-60.5	-37.3	-179.7	-170	63.1	0	0	0	112.1	L260 A261 Y266 T267 Y274 V277 A278 L281	L260-L264 WeakPolarHBondContact O-CB 3.49Å; L260-L264 PolarHBondContact O-N 3.2Å; A261-L264 PolarHBondContact O-N 3.34Å; L264-Y266 PolarHBondContact O-N 2.95Å; L264-T267 PolarHBondContact O-N 3.33Å; L264-Y274 HydrophobicContact CD1-CD2 3.81Å; L264-Y274 HydrophobicContact CD1-CE2 3.64Å; L264-Y274 HydrophobicContact CD1-CG 4.42Å; L264-Y274 HydrophobicContact CG-CE2 4.44Å; L264-V277 HydrophobicContact CB-CG1 3.93Å; L264-V277 HydrophobicContact CD1-CB 4.3Å; L264-V277 HydrophobicContact CD1-CG1 4.11Å; L264-A278 HydrophobicContact CD1-CB 4.04Å; L264-A278 HydrophobicContact CD2-CB 4.1Å; L264-L281 HydrophobicContact CD2-CD2 4.04Å
265	K	94.6	Very high	94.9	Very high	94 Å²	94	47 Å²	47	41%	0.409	23%	0.227	S	C	.	.	H	α-helix	trans	-53.8	-39.9	176.2	-178.1	-179.1	176.7	-177.4	0	112.2	E76 A261 E262 L263	E76-K265 IonicContact OE1-NZ 3.75Å; E76-K265 PolarHBondContact OE1-NZ 3.47Å; A261-K265 PolarHBondContact O-N 3.24Å; E262-K265 WeakPolarHBondContact O-CB 3.45Å; E262-K265 PolarHBondContact O-N 3.35Å; L263-K265 VanDerWaalsContact C-N 3.28Å; L263-K265 PolarHBondContact O-N 3.32Å
266	Y	95.6	Very high	95.4	Very high	24 Å²	24	49.7 Å²	49.7	9%	0.094	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	15.4	179.5	-55	-71.1	0	0	0	113.7	N74 R107 M110 V114 E262 L263 L264	N74-Y266 HydrophobicContact CB-CE2 4.22Å; N74-Y266 WeakPolarHBondContact CB-OH 3.35Å; N74-Y266 WeakPolarHBondContact ND2-CE2 3.44Å; R107-Y266 HydrophobicContact CG-CD1 4.14Å; M110-Y266 HydrophobicContact CB-CD1 3.59Å; M110-Y266 HydrophobicContact CB-CD2 4.12Å; M110-Y266 HydrophobicContact CB-CE1 3.9Å; M110-Y266 HydrophobicContact CB-CE2 4.39Å; M110-Y266 HydrophobicContact CB-CG 3.71Å; M110-Y266 HydrophobicContact CG-CD1 4.18Å; M110-Y266 HydrophobicContact CG-CE1 4.08Å; V114-Y266 HydrophobicContact CG2-CD2 4.22Å; E262-Y266 HydrophobicContact CG-CE2 4.22Å; E262-Y266 VanDerWaalsContact O-CD2 3.26Å; E262-Y266 WeakPolarHBondContact O-CD2 3.42Å; E262-Y266 WeakPolarHBondContact OE1-CE2 3.48Å; L263-Y266 PolarHBondContact O-N 3.12Å; L264-Y266 PolarHBondContact O-N 2.95Å
267	T	95.9	Very high	95.5	Very high	8 Å²	8	49.7 Å²	49.7	5%	0.049	24%	0.237	C	C	.	.			trans	-102.5	124.3	177.7	-50.8	0	0	0	0	110.7	R111 L263 L264 H271 Y274	R111-T267 PolarHBondContact NH1-OG1 3.37Å; L263-T267 PolarHBondContact O-N 3.37Å; L263-T267 PolarHBondContact O-OG1 3.4Å; L264-T267 PolarHBondContact O-N 3.33Å; T267-H271 HydrophobicContact CG2-CB 3.76Å; T267-Y274 HydrophobicContact CG2-CD2 3.92Å; T267-Y274 HydrophobicContact CG2-CG 4.45Å; T267-Y274 WeakPolarHBondContact O-CD2 3.35Å
268	A	95.1	Very high	95.7	Very high	12 Å²	12	50.7 Å²	50.7	10%	0.099	25%	0.246	C	C	.	.			trans	-65.8	146.4	176.3	0	0	0	0	0	111.4	D270 H271 Y274	A268-D270 WeakPolarHBondContact CB-OD1 3.39Å; A268-D270 PolarHBondContact O-N 2.89Å; A268-H271 HydrophobicContact CB-CB 4.15Å; A268-H271 WeakPolarHBondContact O-CB 3.46Å; A268-H271 PolarHBondContact O-N 3.42Å; A268-Y274 WeakPolarHBondContact O-CB 3.3Å; A268-Y274 VanDerWaalsContact O-CD2 3.25Å; A268-Y274 WeakPolarHBondContact O-CD2 3.28Å
269	Q	95.3	Very high	96.2	Very high	158 Å²	158	51.6 Å²	51.6	74%	0.738	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.5	-179.8	-70	-177.9	-0.1	0	0	113.7	Y274	Q269-Y274 HydrophobicContact CG-CE1 4.2Å; Q269-Y274 HydrophobicContact CG-CE2 4.03Å
270	D	94.8	Very high	96.6	Very high	146 Å²	146	51.4 Å²	51.4	78%	0.781	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-7.5	175.6	61.1	-31.7	0	0	0	113.3	A268 S272	A268-D270 WeakPolarHBondContact CB-OD1 3.39Å; A268-D270 PolarHBondContact O-N 2.89Å; D270-S272 PolarHBondContact O-N 3.32Å
271	H	98.1	Very high	96.6	Very high	28 Å²	28	52 Å²	52	13%	0.13	26%	0.259	C	S	.	.	S	Bend	trans	-63.3	134.1	172	-168.3	-68.9	0	0	0	109.4	R111 H183 T267 A268 D273 Y274	R111-H271 PolarHBondContact NE-NE2 3.04Å; R111-H271 PolarHBondContact NH2-CE1 3.31Å; R111-H271 VanDerWaalsContact NH2-CE1 3.33Å; H183-H271 PolarHBondContact O-NE2 3.24Å; T267-H271 HydrophobicContact CG2-CB 3.76Å; A268-H271 HydrophobicContact CB-CB 4.15Å; A268-H271 WeakPolarHBondContact O-CB 3.46Å; A268-H271 PolarHBondContact O-N 3.42Å; H271-D273 VanDerWaalsContact C-N 3.26Å; H271-D273 VanDerWaalsContact ND1-CB 3.33Å; H271-D273 WeakPolarHBondContact ND1-CB 3.47Å; H271-D273 PolarHBondContact ND1-N 3.41Å; H271-D273 PolarHBondContact O-N 3.02Å; H271-Y274 VanDerWaalsContact O-CB 3.25Å; H271-Y274 WeakPolarHBondContact O-CB 3.38Å; H271-Y274 PolarHBondContact O-N 3.01Å
272	S	97.9	Very high	96.7	Very high	69 Å²	69	53.6 Å²	53.6	48%	0.483	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-40.2	-178	49.6	0	0	0	0	113.3	E186 D270 Y274 Y276	E186-S272 WeakPolarHBondContact OE1-CB 3.47Å; E186-S272 PolarHBondContact OE1-OG 3.44Å; D270-S272 PolarHBondContact O-N 3.32Å; S272-Y274 PolarHBondContact O-N 2.99Å; S272-Y276 WeakPolarHBondContact O-CD2 3.08Å
273	D	98.4	Very high	96.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-13.2	176.5	-157.6	28.2	0	0	0	115.5	R111 E186 I187 G188 P189 H271 R275 Y276 V277	R111-D273 IonicContact CZ-OD2 3.41Å; R111-D273 IonicContact NH1-OD2 2.94Å; R111-D273 IonicContact NH2-OD2 2.8Å; R111-D273 PolarHBondContact NH2-OD2 3.13Å; E186-D273 HydrophobicContact CB-CB 4.38Å; E186-D273 HydrophobicContact CG-CB 4.26Å; I187-D273 PolarHBondContact N-OD2 3.46Å; G188-D273 WeakPolarHBondContact CA-OD1 3.28Å; G188-D273 PolarHBondContact N-OD1 3.47Å; P189-D273 WeakPolarHBondContact CD-OD1 3.4Å; H271-D273 VanDerWaalsContact C-N 3.26Å; H271-D273 VanDerWaalsContact ND1-CB 3.33Å; H271-D273 WeakPolarHBondContact ND1-CB 3.47Å; H271-D273 PolarHBondContact ND1-N 3.41Å; H271-D273 PolarHBondContact O-N 3.02Å; D273-R275 PolarHBondContact O-N 3.19Å; D273-Y276 PolarHBondContact O-N 3.15Å; D273-Y276 VanDerWaalsContact O-N 3.09Å; D273-V277 HydrophobicContact CB-CG2 4.37Å; D273-V277 WeakPolarHBondContact O-CG2 3.34Å; D273-V277 PolarHBondContact O-N 3.16Å; D273-V277 WeakPolarHBondContact OD2-CG2 3.35Å
274	Y	98.4	Very high	96.8	Very high	64 Å²	64	54.4 Å²	54.4	25%	0.251	28%	0.277	S	S	.	.	H	α-helix	trans	-55.9	-50.2	-169.7	-178.9	-93.8	0	0	0	113.5	L264 T267 A268 Q269 H271 S272 Y276 V277 A278	L264-Y274 HydrophobicContact CD1-CD2 3.81Å; L264-Y274 HydrophobicContact CD1-CE2 3.64Å; L264-Y274 HydrophobicContact CD1-CG 4.42Å; L264-Y274 HydrophobicContact CG-CE2 4.44Å; T267-Y274 HydrophobicContact CG2-CD2 3.92Å; T267-Y274 HydrophobicContact CG2-CG 4.45Å; T267-Y274 WeakPolarHBondContact O-CD2 3.35Å; A268-Y274 WeakPolarHBondContact O-CB 3.3Å; A268-Y274 VanDerWaalsContact O-CD2 3.25Å; A268-Y274 WeakPolarHBondContact O-CD2 3.28Å; Q269-Y274 HydrophobicContact CG-CE1 4.2Å; Q269-Y274 HydrophobicContact CG-CE2 4.03Å; H271-Y274 VanDerWaalsContact O-CB 3.25Å; H271-Y274 WeakPolarHBondContact O-CB 3.38Å; H271-Y274 PolarHBondContact O-N 3.01Å; S272-Y274 PolarHBondContact O-N 2.99Å; Y274-Y276 VanDerWaalsContact C-N 3.29Å; Y274-Y276 PolarHBondContact O-N 3.09Å; Y274-V277 PolarHBondContact O-N 3.46Å; Y274-A278 WeakPolarHBondContact O-CB 3.33Å; Y274-A278 PolarHBondContact O-N 2.98Å
275	R	98.3	Very high	96.6	Very high	205 Å²	205	59.6 Å²	59.6	77%	0.774	30%	0.295	S	S	*	.	H	α-helix	trans	-67	-33.9	-178.9	-65.8	-175.3	179.1	-171.1	-0	111.7	D273 A279	D273-R275 PolarHBondContact O-N 3.19Å; R275-A279 WeakPolarHBondContact O-CB 3.41Å; R275-A279 PolarHBondContact O-N 2.92Å
276	Y	98.7	Very high	96.2	Very high	122 Å²	122	58.6 Å²	58.6	48%	0.478	29%	0.294	S	S	.	.	H	α-helix	trans	-72.5	-42.7	179.1	-61.9	-71.2	0	0	0	111.4	P189 L192 S272 D273 Y274 A279 A280	P189-Y276 HydrophobicContact CG-CD1 4.13Å; P189-Y276 HydrophobicContact CG-CD2 4.23Å; P189-Y276 HydrophobicContact CG-CG 3.91Å; L192-Y276 HydrophobicContact CD1-CD1 3.94Å; S272-Y276 WeakPolarHBondContact O-CD2 3.08Å; D273-Y276 PolarHBondContact O-N 3.15Å; D273-Y276 VanDerWaalsContact O-N 3.09Å; Y274-Y276 VanDerWaalsContact C-N 3.29Å; Y274-Y276 PolarHBondContact O-N 3.09Å; Y276-A279 PolarHBondContact O-N 2.77Å; Y276-A280 VanDerWaalsContact O-CB 3.26Å; Y276-A280 WeakPolarHBondContact O-CB 3.21Å; Y276-A280 PolarHBondContact O-N 3.32Å
277	V	98.6	Very high	95.8	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.2	-43	174.2	176.7	0	0	0	0	111	L260 L263 L264 D273 Y274 A279 A280 L281	L260-V277 HydrophobicContact CD2-CG1 4.38Å; L263-V277 HydrophobicContact CB-CG1 4.28Å; L263-V277 HydrophobicContact CD2-CG1 3.99Å; L263-V277 HydrophobicContact CD2-CG2 3.76Å; L263-V277 HydrophobicContact CG-CG1 4.13Å; L263-V277 HydrophobicContact CG-CG2 4.35Å; L264-V277 HydrophobicContact CB-CG1 3.93Å; L264-V277 HydrophobicContact CD1-CB 4.3Å; L264-V277 HydrophobicContact CD1-CG1 4.11Å; D273-V277 HydrophobicContact CB-CG2 4.37Å; D273-V277 WeakPolarHBondContact O-CG2 3.34Å; D273-V277 PolarHBondContact O-N 3.16Å; D273-V277 WeakPolarHBondContact OD2-CG2 3.35Å; Y274-V277 PolarHBondContact O-N 3.46Å; V277-A279 PolarHBondContact O-N 3.01Å; V277-A280 PolarHBondContact O-N 3.46Å; V277-L281 WeakPolarHBondContact O-CB 3.41Å; V277-L281 PolarHBondContact O-N 3.38Å
278	A	97.9	Very high	95.3	Very high	34 Å²	34	58.9 Å²	58.9	28%	0.281	30%	0.298	S	S	.	.	H	α-helix	trans	-61.7	-43	176.7	0	0	0	0	0	112.2	L264 Y274 A282	L264-A278 HydrophobicContact CD1-CB 4.04Å; L264-A278 HydrophobicContact CD2-CB 4.1Å; Y274-A278 WeakPolarHBondContact O-CB 3.33Å; Y274-A278 PolarHBondContact O-N 2.98Å; A278-A282 PolarHBondContact O-N 3.17Å
279	A	97.9	Very high	94.6	Very high	40 Å²	40	64.8 Å²	64.8	33%	0.331	32%	0.324	S	S	.	.	H	α-helix	trans	-66.1	-44.5	175.2	0	0	0	0	0	111.9	L192 R275 Y276 V277 L281 A282 V283	L192-A279 HydrophobicContact CD1-CB 4.15Å; L192-A279 HydrophobicContact CD2-CB 4.03Å; R275-A279 WeakPolarHBondContact O-CB 3.41Å; R275-A279 PolarHBondContact O-N 2.92Å; Y276-A279 PolarHBondContact O-N 2.77Å; V277-A279 PolarHBondContact O-N 3.01Å; A279-L281 VanDerWaalsContact C-N 3.32Å; A279-L281 PolarHBondContact O-N 3.2Å; A279-A282 PolarHBondContact O-N 3.22Å; A279-V283 WeakPolarHBondContact O-CG2 3.48Å; A279-V283 PolarHBondContact O-N 3.25Å
280	A	98.4	Very high	93.9	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.7	-42	177.1	0	0	0	0	0	111.6	F191 L192 L260 Y276 V277 A282 V283 M284	F191-A280 HydrophobicContact CB-CB 3.7Å; F191-A280 HydrophobicContact CG-CB 4.35Å; L192-A280 HydrophobicContact CD2-CB 4.33Å; L192-A280 HydrophobicContact CG-CB 4.37Å; L260-A280 HydrophobicContact CD1-CB 4.04Å; L260-A280 HydrophobicContact CD2-CB 4.35Å; Y276-A280 VanDerWaalsContact O-CB 3.26Å; Y276-A280 WeakPolarHBondContact O-CB 3.21Å; Y276-A280 PolarHBondContact O-N 3.32Å; V277-A280 PolarHBondContact O-N 3.46Å; A280-A282 PolarHBondContact O-N 3.24Å; A280-V283 PolarHBondContact O-N 2.9Å; A280-M284 WeakPolarHBondContact O-CB 3.25Å; A280-M284 WeakPolarHBondContact O-CG 3.39Å; A280-M284 PolarHBondContact O-N 3.3Å
281	L	97.8	Very high	93.2	Very high	13 Å²	13	52.8 Å²	52.8	7%	0.068	26%	0.263	C	S	.	.	H	α-helix	trans	-58.7	-46.5	174.9	174.3	59	0	0	0	111.6	P257 L260 A261 L264 V277 A279 M284 R285	P257-L281 HydrophobicContact CB-CD1 4.22Å; P257-L281 WeakPolarHBondContact O-CD1 3.35Å; L260-L281 HydrophobicContact CB-CB 4.08Å; L260-L281 HydrophobicContact CB-CD1 4.06Å; A261-L281 HydrophobicContact CB-CD1 4.06Å; A261-L281 HydrophobicContact CB-CD2 4.05Å; L264-L281 HydrophobicContact CD2-CD2 4.04Å; V277-L281 WeakPolarHBondContact O-CB 3.41Å; V277-L281 PolarHBondContact O-N 3.38Å; A279-L281 VanDerWaalsContact C-N 3.32Å; A279-L281 PolarHBondContact O-N 3.2Å; L281-M284 PolarHBondContact O-N 2.76Å; L281-R285 HydrophobicContact CD1-CG 4.18Å; L281-R285 WeakPolarHBondContact O-CB 3.42Å; L281-R285 WeakPolarHBondContact O-CG 3.49Å; L281-R285 PolarHBondContact O-N 3.22Å
282	A	94.3	Very high	92.2	Very high	60 Å²	60	56.1 Å²	56.1	50%	0.496	28%	0.282	S	S	.	.	H	α-helix	trans	-62.3	-43.9	177.9	0	0	0	0	0	111.7	A278 A279 A280 R285 N286	A278-A282 PolarHBondContact O-N 3.17Å; A279-A282 PolarHBondContact O-N 3.22Å; A280-A282 PolarHBondContact O-N 3.24Å; A282-R285 PolarHBondContact O-N 2.98Å; A282-N286 WeakPolarHBondContact O-CB 3.14Å; A282-N286 PolarHBondContact O-N 2.96Å
283	V	95.9	Very high	91	Very high	30 Å²	30	54.9 Å²	54.9	18%	0.182	27%	0.269	C	S	.	.	H	α-helix	trans	-61.5	-49.7	176.5	167.5	0	0	0	0	111.2	L192 Q195 A279 A280 R285 N286 V287	L192-V283 HydrophobicContact CD2-CB 4.49Å; L192-V283 HydrophobicContact CD2-CG2 3.91Å; Q195-V283 HydrophobicContact CB-CG1 3.6Å; A279-V283 WeakPolarHBondContact O-CG2 3.48Å; A279-V283 PolarHBondContact O-N 3.25Å; A280-V283 PolarHBondContact O-N 2.9Å; V283-R285 PolarHBondContact O-N 3.4Å; V283-N286 WeakPolarHBondContact O-CB 3.42Å; V283-N286 PolarHBondContact O-N 2.92Å; V283-N286 VanDerWaalsContact O-N 3.11Å; V283-V287 HydrophobicContact CG1-CG2 4.49Å; V283-V287 WeakPolarHBondContact O-CG2 3.44Å; V283-V287 PolarHBondContact O-N 2.67Å
284	M	95.1	Very high	89.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-67.8	-34.6	-178.4	-66.3	-49.2	-63.8	0	0	112.5	F191 F198 I253 Y256 P257 L260 A280 L281 N286 V287 T288	F191-M284 HydrophobicContact CD1-CG 3.88Å; F191-M284 HydrophobicContact CD1-SD 4.03Å; F191-M284 HydrophobicContact CE1-CG 4.45Å; F198-M284 HydrophobicContact CD1-CE 3.9Å; F198-M284 HydrophobicContact CD2-CE 4Å; F198-M284 HydrophobicContact CD2-SD 3.75Å; F198-M284 HydrophobicContact CE1-CE 4.02Å; F198-M284 HydrophobicContact CE2-CE 4.11Å; F198-M284 HydrophobicContact CE2-SD 3.77Å; F198-M284 HydrophobicContact CG-CE 3.9Å; F198-M284 HydrophobicContact CG-SD 4.24Å; F198-M284 HydrophobicContact CZ-CE 4.12Å; F198-M284 HydrophobicContact CZ-SD 4.27Å; I253-M284 HydrophobicContact CD1-CE 3.81Å; Y256-M284 HydrophobicContact CD2-CE 3.52Å; Y256-M284 HydrophobicContact CE2-CE 4.33Å; Y256-M284 HydrophobicContact CG-CE 3.96Å; P257-M284 HydrophobicContact CG-CB 4.15Å; L260-M284 HydrophobicContact CD1-CB 4.1Å; L260-M284 HydrophobicContact CD1-CG 3.66Å; A280-M284 WeakPolarHBondContact O-CB 3.25Å; A280-M284 WeakPolarHBondContact O-CG 3.39Å; A280-M284 PolarHBondContact O-N 3.3Å; L281-M284 PolarHBondContact O-N 2.76Å; M284-N286 VanDerWaalsContact C-N 3.32Å; M284-V287 PolarHBondContact O-N 3.32Å; M284-T288 PolarHBondContact O-N 3.5Å; M284-T288 PolarHBondContact O-OG1 2.85Å; M284-T288 VanDerWaalsContact O-OG1 3.12Å
285	R	91	Very high	88.6	Confident	144 Å²	144	56.7 Å²	56.7	54%	0.543	28%	0.276	S	S	.	.	H	α-helix	trans	-59.6	-45.2	169.7	-78.8	179.2	170.9	167.3	-1.8	111.2	P257 L281 A282 V283 T288 Q289	P257-R285 HydrophobicContact CB-CG 3.87Å; P257-R285 HydrophobicContact CG-CG 4.33Å; L281-R285 HydrophobicContact CD1-CG 4.18Å; L281-R285 WeakPolarHBondContact O-CB 3.42Å; L281-R285 WeakPolarHBondContact O-CG 3.49Å; L281-R285 PolarHBondContact O-N 3.22Å; A282-R285 PolarHBondContact O-N 2.98Å; V283-R285 PolarHBondContact O-N 3.4Å; R285-T288 PolarHBondContact O-N 3.25Å; R285-Q289 VanDerWaalsContact O-CB 3.31Å; R285-Q289 WeakPolarHBondContact O-CB 3.46Å; R285-Q289 PolarHBondContact O-N 3.13Å
286	N	86.8	Confident	87.6	Confident	73 Å²	73	50 Å²	50	39%	0.39	25%	0.251	S	S	.	.	H	α-helix	trans	-63.1	-44.2	177.7	-175.2	55.9	0	0	0	111.9	A282 V283 M284 T288 Q289 Q290	A282-N286 WeakPolarHBondContact O-CB 3.14Å; A282-N286 PolarHBondContact O-N 2.96Å; V283-N286 WeakPolarHBondContact O-CB 3.42Å; V283-N286 PolarHBondContact O-N 2.92Å; V283-N286 VanDerWaalsContact O-N 3.11Å; M284-N286 VanDerWaalsContact C-N 3.32Å; N286-T288 PolarHBondContact O-N 3.31Å; N286-Q289 PolarHBondContact O-N 3.05Å; N286-Q290 PolarHBondContact ND2-NE2 3.1Å; N286-Q290 WeakPolarHBondContact O-CB 3.32Å; N286-Q290 VanDerWaalsContact O-CG 3.3Å; N286-Q290 WeakPolarHBondContact O-CG 3.42Å; N286-Q290 PolarHBondContact O-N 3.45Å
287	V	88.1	Confident	86.4	Confident	11 Å²	11	45.4 Å²	45.4	7%	0.067	23%	0.233	C	C	.	.	H	α-helix	trans	-58	-51	176.4	171.2	0	0	0	0	110.9	F198 I253 V283 M284 Q289 Q290 I291	F198-V287 HydrophobicContact CB-CG1 3.98Å; I253-V287 HydrophobicContact CD1-CG1 3.97Å; I253-V287 HydrophobicContact CG1-CG1 4.34Å; V283-V287 HydrophobicContact CG1-CG2 4.49Å; V283-V287 WeakPolarHBondContact O-CG2 3.44Å; V283-V287 PolarHBondContact O-N 2.67Å; M284-V287 PolarHBondContact O-N 3.32Å; V287-Q289 PolarHBondContact O-N 2.92Å; V287-Q290 PolarHBondContact O-N 2.77Å; V287-I291 HydrophobicContact CG1-CD1 3.83Å; V287-I291 VanDerWaalsContact O-CG1 3.31Å; V287-I291 WeakPolarHBondContact O-CG1 3.36Å; V287-I291 PolarHBondContact O-N 3.49Å
288	T	84.6	Confident	85.1	Confident	28 Å²	28	47.4 Å²	47.4	17%	0.172	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-41.6	-179.5	-57.2	0	0	0	0	112	I253 C254 M284 R285 N286 I291 N292	I253-T288 PolarHBondContact O-OG1 2.92Å; C254-T288 HydrophobicContact CB-CG2 4.34Å; C254-T288 WeakPolarHBondContact SG-CG2 3.36Å; M284-T288 PolarHBondContact O-N 3.5Å; M284-T288 PolarHBondContact O-OG1 2.85Å; M284-T288 VanDerWaalsContact O-OG1 3.12Å; R285-T288 PolarHBondContact O-N 3.25Å; N286-T288 PolarHBondContact O-N 3.31Å; T288-I291 PolarHBondContact O-N 2.74Å; T288-N292 PolarHBondContact O-N 2.95Å
289	Q	81.4	Confident	83.8	Confident	135 Å²	135	49 Å²	49	63%	0.631	25%	0.245	S	C	*	.	H	α-helix	trans	-61.7	-45.2	176	-176.4	-179.4	-5.2	0	0	111.5	R285 N286 V287 N292 E293	R285-Q289 VanDerWaalsContact O-CB 3.31Å; R285-Q289 WeakPolarHBondContact O-CB 3.46Å; R285-Q289 PolarHBondContact O-N 3.13Å; N286-Q289 PolarHBondContact O-N 3.05Å; V287-Q289 PolarHBondContact O-N 2.92Å; Q289-N292 PolarHBondContact O-N 2.76Å; Q289-E293 VanDerWaalsContact O-CB 3.28Å; Q289-E293 WeakPolarHBondContact O-CB 3.12Å; Q289-E293 PolarHBondContact O-N 2.78Å
290	Q	78.7	Confident	83	Confident	44 Å²	44	48.2 Å²	48.2	21%	0.206	24%	0.235	C	C	.	.	H	α-helix	trans	-65.6	-38.5	179.2	-74.6	-168.5	77.4	0	0	112.6	W199 N286 V287 N292 E293 R294 E436	W199-Q290 HydrophobicContact CH2-CB 4.32Å; W199-Q290 HydrophobicContact CZ3-CB 3.81Å; N286-Q290 PolarHBondContact ND2-NE2 3.1Å; N286-Q290 WeakPolarHBondContact O-CB 3.32Å; N286-Q290 VanDerWaalsContact O-CG 3.3Å; N286-Q290 WeakPolarHBondContact O-CG 3.42Å; N286-Q290 PolarHBondContact O-N 3.45Å; V287-Q290 PolarHBondContact O-N 2.77Å; Q290-N292 VanDerWaalsContact C-N 3.34Å; Q290-E293 PolarHBondContact O-N 3.45Å; Q290-R294 WeakPolarHBondContact O-CB 3.08Å; Q290-R294 PolarHBondContact O-N 2.8Å; Q290-E436 PolarHBondContact OE1-OE1 3.16Å
291	I	80.8	Confident	82.3	Confident	9 Å²	9	48.5 Å²	48.5	5%	0.046	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-43.8	174.6	-68.7	169.7	0	0	0	110.6	C205 I253 V287 T288 R294 K295	C205-I291 HydrophobicContact CB-CG2 3.62Å; I253-I291 HydrophobicContact CG1-CD1 3.75Å; V287-I291 HydrophobicContact CG1-CD1 3.83Å; V287-I291 VanDerWaalsContact O-CG1 3.31Å; V287-I291 WeakPolarHBondContact O-CG1 3.36Å; V287-I291 PolarHBondContact O-N 3.49Å; T288-I291 PolarHBondContact O-N 2.74Å; I291-R294 WeakPolarHBondContact O-CB 3.39Å; I291-R294 PolarHBondContact O-N 2.94Å; I291-K295 PolarHBondContact O-N 3.39Å
292	N	76.4	Confident	81.5	Confident	98 Å²	98	50.2 Å²	50.2	52%	0.524	25%	0.246	S	C	.	.	H	α-helix	trans	-65	-45	177.5	-170.9	49.5	0	0	0	111.7	T288 Q289 Q290 R294 K295 R296	T288-N292 PolarHBondContact O-N 2.95Å; Q289-N292 PolarHBondContact O-N 2.76Å; Q290-N292 VanDerWaalsContact C-N 3.34Å; N292-R294 VanDerWaalsContact C-N 3.31Å; N292-R294 PolarHBondContact O-N 3.13Å; N292-K295 PolarHBondContact O-N 2.93Å; N292-R296 PolarHBondContact O-N 3.05Å
293	E	74.3	Confident	81.1	Confident	43 Å²	43	51.8 Å²	51.8	20%	0.201	24%	0.242	C	C	.	.	H	α-helix	trans	-60.7	-42.4	177.6	179.3	54.8	-155.2	0	0	111.5	Q289 Q290 K295 R296 R297	Q289-E293 VanDerWaalsContact O-CB 3.28Å; Q289-E293 WeakPolarHBondContact O-CB 3.12Å; Q289-E293 PolarHBondContact O-N 2.78Å; Q290-E293 PolarHBondContact O-N 3.45Å; E293-K295 VanDerWaalsContact C-N 3.32Å; E293-K295 PolarHBondContact O-N 2.84Å; E293-R296 WeakPolarHBondContact O-CB 3.25Å; E293-R296 PolarHBondContact O-N 3.48Å; E293-R296 VanDerWaalsContact O-N 3.17Å; E293-R296 IonicContact OE1-CZ 3.88Å; E293-R296 IonicContact OE1-NE 3.81Å; E293-R296 IonicContact OE1-NH2 3.49Å; E293-R296 PolarHBondContact OE1-NH2 2.81Å; E293-R296 IonicContact OE2-CZ 3.53Å; E293-R296 IonicContact OE2-NE 2.68Å; E293-R296 PolarHBondContact OE2-NE 3.22Å; E293-R296 IonicContact OE2-NH2 3.63Å; E293-R296 PolarHBondContact OE2-NH2 3.16Å; E293-R297 WeakPolarHBondContact O-CG 3.29Å; E293-R297 PolarHBondContact O-N 2.93Å; E293-R297 IonicContact OE1-NE 2.99Å; E293-R297 PolarHBondContact OE1-NE 3.33Å
294	R	73	Confident	80.9	Confident	46 Å²	46	50.7 Å²	50.7	17%	0.174	24%	0.235	C	C	.	.	H	α-helix	trans	-56.7	-46.8	176.9	-177	69	-176.2	159.6	3.1	112	N206 Q290 I291 N292 R297 L298	N206-R294 WeakPolarHBondContact ND2-CG 3.23Å; Q290-R294 WeakPolarHBondContact O-CB 3.08Å; Q290-R294 PolarHBondContact O-N 2.8Å; I291-R294 WeakPolarHBondContact O-CB 3.39Å; I291-R294 PolarHBondContact O-N 2.94Å; N292-R294 VanDerWaalsContact C-N 3.31Å; N292-R294 PolarHBondContact O-N 3.13Å; R294-R297 PolarHBondContact O-N 2.8Å; R294-L298 WeakPolarHBondContact O-CG 3.31Å; R294-L298 PolarHBondContact O-N 2.98Å
295	K	72	Confident	80.6	Confident	56 Å²	56	51.3 Å²	51.3	24%	0.243	24%	0.24	C	C	.	.	H	α-helix	trans	-64.2	-44.3	176.7	-175.7	178.3	176.4	-176	0	111.3	I291 N292 E293 R297 L298 E299	I291-K295 PolarHBondContact O-N 3.39Å; N292-K295 PolarHBondContact O-N 2.93Å; E293-K295 VanDerWaalsContact C-N 3.32Å; E293-K295 PolarHBondContact O-N 2.84Å; K295-R297 VanDerWaalsContact C-N 3.33Å; K295-R297 PolarHBondContact O-N 3.44Å; K295-L298 PolarHBondContact O-N 2.85Å; K295-L298 VanDerWaalsContact O-N 3.16Å; K295-E299 WeakPolarHBondContact CE-OE1 3.49Å; K295-E299 PolarHBondContact O-N 2.9Å; K295-E299 VanDerWaalsContact O-N 3.11Å
296	R	77.1	Confident	80.5	Confident	65 Å²	65	48.2 Å²	48.2	25%	0.245	23%	0.231	C	C	.	.	H	α-helix	trans	-56.8	-44.3	176.6	-171.1	178	73.5	101.6	11	111.9	N292 E293 L298 E299 N300 E325	N292-R296 PolarHBondContact O-N 3.05Å; E293-R296 WeakPolarHBondContact O-CB 3.25Å; E293-R296 PolarHBondContact O-N 3.48Å; E293-R296 VanDerWaalsContact O-N 3.17Å; E293-R296 IonicContact OE1-CZ 3.88Å; E293-R296 IonicContact OE1-NE 3.81Å; E293-R296 IonicContact OE1-NH2 3.49Å; E293-R296 PolarHBondContact OE1-NH2 2.81Å; E293-R296 IonicContact OE2-CZ 3.53Å; E293-R296 IonicContact OE2-NE 2.68Å; E293-R296 PolarHBondContact OE2-NE 3.22Å; E293-R296 IonicContact OE2-NH2 3.63Å; E293-R296 PolarHBondContact OE2-NH2 3.16Å; R296-L298 PolarHBondContact O-N 3.38Å; R296-E299 PolarHBondContact O-N 3.48Å; R296-N300 WeakPolarHBondContact O-CB 3.44Å; R296-N300 PolarHBondContact O-N 3.24Å; R296-N300 PolarHBondContact O-ND2 2.96Å; R296-E325 IonicContact CZ-OE1 3.98Å; R296-E325 IonicContact NH1-OE1 3.73Å; R296-E325 PolarHBondContact NH1-OE1 3.26Å; R296-E325 IonicContact NH2-OE1 3.93Å; R296-E325 PolarHBondContact NH2-OE1 2.92Å
297	R	74.4	Confident	80.8	Confident	24 Å²	24	45.9 Å²	45.9	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-59.1	-45.8	176.1	-69.5	-166.2	-168.5	172	12.3	111.7	E293 R294 K295 E299 N300 I301 E325 M433 D437	E293-R297 WeakPolarHBondContact O-CG 3.29Å; E293-R297 PolarHBondContact O-N 2.93Å; E293-R297 IonicContact OE1-NE 2.99Å; E293-R297 PolarHBondContact OE1-NE 3.33Å; R294-R297 PolarHBondContact O-N 2.8Å; K295-R297 VanDerWaalsContact C-N 3.33Å; K295-R297 PolarHBondContact O-N 3.44Å; R297-E299 VanDerWaalsContact C-N 3.3Å; R297-E299 PolarHBondContact O-N 3.45Å; R297-N300 WeakPolarHBondContact O-CB 3.09Å; R297-N300 PolarHBondContact O-N 3.43Å; R297-I301 WeakPolarHBondContact O-CG1 3.23Å; R297-I301 PolarHBondContact O-N 2.98Å; R297-E325 HydrophobicContact CG-CB 4.13Å; R297-E325 HydrophobicContact CG-CG 4.16Å; R297-M433 VanDerWaalsContact CZ-SD 3.51Å; R297-M433 PolarHBondContact NH2-SD 3.06Å; R297-M433 VanDerWaalsContact NH2-SD 3.42Å; R297-D437 IonicContact CZ-OD2 3.83Å; R297-D437 IonicContact NH1-OD1 2.57Å; R297-D437 PolarHBondContact NH1-OD1 2.92Å; R297-D437 VanDerWaalsContact NH1-OD1 3.12Å; R297-D437 IonicContact NH1-OD2 2.8Å; R297-D437 PolarHBondContact NH1-OD2 2.93Å
298	L	71	Confident	81.1	Confident	43 Å²	43	46.3 Å²	46.3	23%	0.225	22%	0.218	C	C	.	.	H	α-helix	trans	-60.7	-38.7	178.5	-67.2	-179.2	0	0	0	112.6	N206 R294 K295 R296 N300 I301	N206-L298 HydrophobicContact CB-CD1 4.14Å; R294-L298 WeakPolarHBondContact O-CG 3.31Å; R294-L298 PolarHBondContact O-N 2.98Å; K295-L298 PolarHBondContact O-N 2.85Å; K295-L298 VanDerWaalsContact O-N 3.16Å; R296-L298 PolarHBondContact O-N 3.38Å; L298-N300 VanDerWaalsContact C-N 3.32Å; L298-I301 HydrophobicContact CD2-CD1 3.99Å
299	E	71.9	Confident	81.4	Confident	68 Å²	68	48 Å²	48	32%	0.318	24%	0.235	S	C	.	.	H	α-helix	trans	-72	-25.7	174.9	-66.7	177.1	-176	0	0	112.9	K295 R296 R297	K295-E299 WeakPolarHBondContact CE-OE1 3.49Å; K295-E299 PolarHBondContact O-N 2.9Å; K295-E299 VanDerWaalsContact O-N 3.11Å; R296-E299 PolarHBondContact O-N 3.48Å; R297-E299 VanDerWaalsContact C-N 3.3Å; R297-E299 PolarHBondContact O-N 3.45Å
300	N	80	Confident	82	Confident	22 Å²	22	44.2 Å²	44.2	12%	0.118	22%	0.223	C	C	.	.	H	α-helix	trans	-79.4	-21.8	179.1	-74.4	-17.8	0	0	0	113.5	R296 R297 L298 D302 K303 I304 E325	R296-N300 WeakPolarHBondContact O-CB 3.44Å; R296-N300 PolarHBondContact O-N 3.24Å; R296-N300 PolarHBondContact O-ND2 2.96Å; R297-N300 WeakPolarHBondContact O-CB 3.09Å; R297-N300 PolarHBondContact O-N 3.43Å; L298-N300 VanDerWaalsContact C-N 3.32Å; N300-D302 VanDerWaalsContact C-N 3.3Å; N300-D302 PolarHBondContact O-N 3.13Å; N300-K303 WeakPolarHBondContact O-CA 3.4Å; N300-K303 WeakPolarHBondContact O-CB 3.43Å; N300-K303 PolarHBondContact O-N 3.28Å; N300-K303 PolarHBondContact OD1-NZ 3.47Å; N300-K303 VanDerWaalsContact OD1-NZ 3.07Å; N300-I304 WeakPolarHBondContact O-CG1 3.31Å; N300-I304 PolarHBondContact O-N 3.44Å; N300-E325 PolarHBondContact ND2-OE1 2.85Å; N300-E325 PolarHBondContact ND2-OE2 3.44Å
301	I	84.4	Confident	82.7	Confident	6 Å²	6	42.5 Å²	42.5	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-52.7	-48.1	178.9	-66.5	174.3	0	0	0	111.1	R297 L298 K303 I304 A305 L320 I444 Q448 A452	R297-I301 WeakPolarHBondContact O-CG1 3.23Å; R297-I301 PolarHBondContact O-N 2.98Å; L298-I301 HydrophobicContact CD2-CD1 3.99Å; I301-K303 VanDerWaalsContact C-N 3.29Å; I301-K303 PolarHBondContact O-N 3.14Å; I301-I304 PolarHBondContact O-N 3.09Å; I301-A305 PolarHBondContact O-N 2.92Å; I301-A305 VanDerWaalsContact O-N 3.09Å; I301-L320 HydrophobicContact CB-CD2 4.46Å; I301-L320 HydrophobicContact CG2-CD1 3.6Å; I301-L320 HydrophobicContact CG2-CD2 3.88Å; I301-L320 HydrophobicContact CG2-CG 4.39Å; I301-I444 HydrophobicContact CD1-CG2 3.87Å; I301-Q448 HydrophobicContact CD1-CB 4.37Å; I301-A452 HydrophobicContact CG2-CB 3.72Å
302	D	80.6	Confident	83.4	Confident	50 Å²	50	45.6 Å²	45.6	27%	0.267	23%	0.232	S	C	.	.	H	α-helix	trans	-62	-37.7	178.3	-84.7	-8.2	0	0	0	111.9	N300 A305 Q306 A452	N300-D302 VanDerWaalsContact C-N 3.3Å; N300-D302 PolarHBondContact O-N 3.13Å; D302-A305 PolarHBondContact O-N 3.05Å; D302-Q306 WeakPolarHBondContact O-CB 3.31Å; D302-Q306 WeakPolarHBondContact O-CG 3.49Å; D302-Q306 PolarHBondContact O-N 3.37Å; D302-A452 WeakPolarHBondContact OD1-CA 3.49Å; D302-A452 WeakPolarHBondContact OD1-CB 3.37Å
303	K	85.3	Confident	84.4	Confident	92 Å²	92	45.8 Å²	45.8	40%	0.4	23%	0.233	S	C	.	.	H	α-helix	trans	-68.2	-38.9	178.5	-58.9	177.6	-168.2	157.4	0	111.4	N300 I301 Q306 W307	N300-K303 WeakPolarHBondContact O-CA 3.4Å; N300-K303 WeakPolarHBondContact O-CB 3.43Å; N300-K303 PolarHBondContact O-N 3.28Å; N300-K303 PolarHBondContact OD1-NZ 3.47Å; N300-K303 VanDerWaalsContact OD1-NZ 3.07Å; I301-K303 VanDerWaalsContact C-N 3.29Å; I301-K303 PolarHBondContact O-N 3.14Å; K303-Q306 PolarHBondContact O-N 2.9Å; K303-W307 VanDerWaalsContact O-CB 3.26Å; K303-W307 WeakPolarHBondContact O-CB 3.44Å; K303-W307 PolarHBondContact O-N 3.46Å
304	I	91.4	Very high	85.5	Confident	8 Å²	8	46.4 Å²	46.4	4%	0.041	23%	0.234	C	C	.	.	H	α-helix	trans	-63.6	-46.9	176.3	-65.9	173.7	0	0	0	110	N300 I301 Q306 W307 Q308 I319 L320 S324 F350	N300-I304 WeakPolarHBondContact O-CG1 3.31Å; N300-I304 PolarHBondContact O-N 3.44Å; I301-I304 PolarHBondContact O-N 3.09Å; I304-Q306 PolarHBondContact O-N 2.88Å; I304-W307 PolarHBondContact O-N 2.9Å; I304-Q308 WeakPolarHBondContact O-CB 3.36Å; I304-Q308 PolarHBondContact O-N 2.62Å; I304-I319 HydrophobicContact CG2-CB 3.84Å; I304-I319 HydrophobicContact CG2-CD1 3.92Å; I304-I319 HydrophobicContact CG2-CG2 3.62Å; I304-L320 HydrophobicContact CB-CD2 4.09Å; I304-L320 HydrophobicContact CD1-CD2 4.36Å; I304-L320 HydrophobicContact CG2-CD2 3.89Å; I304-L320 HydrophobicContact CG2-CG 4.24Å; I304-S324 WeakPolarHBondContact CD1-O 3.33Å; I304-F350 HydrophobicContact CD1-CD1 4.32Å; I304-F350 HydrophobicContact CD1-CE1 4.17Å; I304-F350 HydrophobicContact CG1-CE1 4.13Å; I304-F350 HydrophobicContact CG2-CE1 4.19Å
305	A	89.8	Confident	86.6	Confident	12 Å²	12	50.6 Å²	50.6	10%	0.099	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-43.4	177.4	0	0	0	0	0	112.1	I301 D302 A309 L320 A452 V456	I301-A305 PolarHBondContact O-N 2.92Å; I301-A305 VanDerWaalsContact O-N 3.09Å; D302-A305 PolarHBondContact O-N 3.05Å; A305-A309 WeakPolarHBondContact O-CB 3.23Å; A305-A309 PolarHBondContact O-N 3.12Å; A305-A309 VanDerWaalsContact O-N 3.09Å; A305-L320 HydrophobicContact CB-CD1 3.97Å; A305-A452 HydrophobicContact CB-CB 3.89Å; A305-V456 HydrophobicContact CB-CG2 3.76Å; A305-V456 WeakPolarHBondContact O-CG2 3.4Å
306	Q	88.4	Confident	87.7	Confident	79 Å²	79	51 Å²	51	37%	0.369	28%	0.275	S	S	.	.	H	α-helix	trans	-65	-42.2	175.5	-72.2	172.6	26.1	0	0	112.5	D302 K303 I304 A309 S310 V456	D302-Q306 WeakPolarHBondContact O-CB 3.31Å; D302-Q306 WeakPolarHBondContact O-CG 3.49Å; D302-Q306 PolarHBondContact O-N 3.37Å; K303-Q306 PolarHBondContact O-N 2.9Å; I304-Q306 PolarHBondContact O-N 2.88Å; Q306-A309 PolarHBondContact O-N 3.15Å; Q306-S310 PolarHBondContact O-N 3.24Å; Q306-S310 VanDerWaalsContact O-N 3.15Å; Q306-V456 HydrophobicContact CG-CG2 4.39Å
307	W	93.8	Very high	88.5	Confident	25 Å²	25	53.8 Å²	53.8	10%	0.095	29%	0.291	C	S	.	.	H	α-helix	trans	-60.9	-49.3	176.3	174.1	75.8	0	0	0	110.8	K303 I304 A309 S310 V311 W314 I319 F348 F350 V355	K303-W307 VanDerWaalsContact O-CB 3.26Å; K303-W307 WeakPolarHBondContact O-CB 3.44Å; K303-W307 PolarHBondContact O-N 3.46Å; I304-W307 PolarHBondContact O-N 2.9Å; W307-A309 VanDerWaalsContact C-N 3.28Å; W307-A309 PolarHBondContact O-N 3.03Å; W307-S310 WeakPolarHBondContact O-CA 3.35Å; W307-S310 WeakPolarHBondContact O-CB 3.2Å; W307-S310 PolarHBondContact O-N 3.23Å; W307-S310 PolarHBondContact O-OG 3.47Å; W307-V311 HydrophobicContact CD2-CG2 4.31Å; W307-V311 HydrophobicContact CH2-CG2 4.27Å; W307-V311 HydrophobicContact CZ2-CG2 3.84Å; W307-V311 PolarHBondContact O-N 3.37Å; W307-W314 HydrophobicContact CZ3-CZ3 4.38Å; W307-I319 HydrophobicContact CE3-CD1 3.55Å; W307-I319 HydrophobicContact CZ3-CD1 3.32Å; W307-F348 AromaticContact CE2-CE1 3.89Å; W307-F348 HydrophobicContact CH2-CB 4.06Å; W307-F348 HydrophobicContact CH2-CD1 4.11Å; W307-F348 AromaticContact CH2-CD2 3.83Å; W307-F348 HydrophobicContact CH2-CD2 3.83Å; W307-F348 HydrophobicContact CH2-CE2 4.32Å; W307-F348 AromaticContact CH2-CG 3.73Å; W307-F348 HydrophobicContact CH2-CG 3.73Å; W307-F348 HydrophobicContact CZ2-CB 4.36Å; W307-F348 AromaticContact CZ2-CD1 3.57Å; W307-F348 HydrophobicContact CZ2-CD1 3.57Å; W307-F348 AromaticContact CZ2-CD2 3.56Å; W307-F348 HydrophobicContact CZ2-CD2 3.56Å; W307-F348 AromaticContact CZ2-CE1 3.62Å; W307-F348 HydrophobicContact CZ2-CE1 3.62Å; W307-F348 AromaticContact CZ2-CE2 3.62Å; W307-F348 HydrophobicContact CZ2-CE2 3.62Å; W307-F348 AromaticContact CZ2-CG 3.56Å; W307-F348 HydrophobicContact CZ2-CG 3.56Å; W307-F348 AromaticContact CZ2-CZ 3.65Å; W307-F348 HydrophobicContact CZ2-CZ 3.65Å; W307-F348 AromaticContact NE1-CE1 3.83Å; W307-F350 AromaticContact CE3-CZ 3.95Å; W307-F350 HydrophobicContact CE3-CZ 3.95Å; W307-F350 HydrophobicContact CH2-CE2 4.26Å; W307-F350 HydrophobicContact CH2-CZ 4.27Å; W307-F350 AromaticContact CZ3-CE2 3.86Å; W307-F350 HydrophobicContact CZ3-CE2 3.86Å; W307-F350 AromaticContact CZ3-CZ 3.61Å; W307-F350 HydrophobicContact CZ3-CZ 3.61Å; W307-V355 HydrophobicContact CH2-CB 4.38Å; W307-V355 HydrophobicContact CH2-CG1 4.07Å
308	Q	93.3	Very high	89.5	Confident	20 Å²	20	56.4 Å²	56.4	9%	0.093	31%	0.307	C	S	.	.	H	α-helix	trans	-56.1	-45.3	178	-168.3	-170.7	-58.8	0	0	111.2	I304 S310 V311 W314 D318 I319	I304-Q308 WeakPolarHBondContact O-CB 3.36Å; I304-Q308 PolarHBondContact O-N 2.62Å; Q308-S310 PolarHBondContact O-N 3.05Å; Q308-V311 PolarHBondContact O-N 3.35Å; Q308-V311 VanDerWaalsContact O-N 3.07Å; Q308-W314 HydrophobicContact CG-CD2 3.64Å; Q308-W314 HydrophobicContact CG-CE3 3.76Å; Q308-W314 HydrophobicContact CG-CG 4.37Å; Q308-W314 HydrophobicContact CG-CH2 3.73Å; Q308-W314 HydrophobicContact CG-CZ2 3.58Å; Q308-W314 HydrophobicContact CG-CZ3 3.8Å; Q308-D318 PolarHBondContact NE2-OD1 2.89Å; Q308-I319 HydrophobicContact CB-CD1 3.89Å; Q308-I319 HydrophobicContact CG-CD1 3.97Å; Q308-I319 HydrophobicContact CG-CG1 4.39Å
309	A	92.3	Very high	90.6	Very high	63 Å²	63	54.4 Å²	54.4	52%	0.521	30%	0.296	S	S	.	.	H	α-helix	trans	-64.6	-21.2	178.3	0	0	0	0	0	114	A305 Q306 W307 V456	A305-A309 WeakPolarHBondContact O-CB 3.23Å; A305-A309 PolarHBondContact O-N 3.12Å; A305-A309 VanDerWaalsContact O-N 3.09Å; Q306-A309 PolarHBondContact O-N 3.15Å; W307-A309 VanDerWaalsContact C-N 3.28Å; W307-A309 PolarHBondContact O-N 3.03Å; A309-V456 HydrophobicContact CB-CG1 3.43Å; A309-V456 VanDerWaalsContact CB-CG1 3.43Å; A309-V456 HydrophobicContact CB-CG2 4.33Å
310	S	92.5	Very high	91.6	Very high	55 Å²	55	51.7 Å²	51.7	39%	0.385	28%	0.284	S	S	.	.	H	α-helix	trans	-83.2	-19.1	174.9	79.5	0	0	0	0	113.6	Q306 W307 Q308	Q306-S310 PolarHBondContact O-N 3.24Å; Q306-S310 VanDerWaalsContact O-N 3.15Å; W307-S310 WeakPolarHBondContact O-CA 3.35Å; W307-S310 WeakPolarHBondContact O-CB 3.2Å; W307-S310 PolarHBondContact O-N 3.23Å; W307-S310 PolarHBondContact O-OG 3.47Å; Q308-S310 PolarHBondContact O-N 3.05Å
311	V	94.3	Very high	92.2	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.048	30%	0.297	C	S	.	.	S	Bend	trans	-78.4	127.1	178.6	179.6	0	0	0	0	109.8	W307 Q308 W314 L367	W307-V311 HydrophobicContact CD2-CG2 4.31Å; W307-V311 HydrophobicContact CH2-CG2 4.27Å; W307-V311 HydrophobicContact CZ2-CG2 3.84Å; W307-V311 PolarHBondContact O-N 3.37Å; Q308-V311 PolarHBondContact O-N 3.35Å; Q308-V311 VanDerWaalsContact O-N 3.07Å; V311-W314 HydrophobicContact CB-CE3 4.15Å; V311-W314 HydrophobicContact CG1-CE3 4.07Å; V311-L367 HydrophobicContact CG2-CB 4.43Å
312	L	94.8	Very high	92.5	Very high	74 Å²	74	58 Å²	58	39%	0.387	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-80.1	153.7	178.7	-58.1	-177.2	0	0	0	111.4	W314 I366 L367 Y368 Y369	L312-W314 VanDerWaalsContact C-N 3.28Å; L312-W314 PolarHBondContact O-N 2.57Å; L312-I366 HydrophobicContact CD1-CG2 3.56Å; L312-I366 HydrophobicContact CG-CG2 4.21Å; L312-L367 PolarHBondContact N-O 2.71Å; L312-Y368 HydrophobicContact CB-CD1 3.7Å; L312-Y368 HydrophobicContact CB-CE1 3.99Å; L312-Y368 HydrophobicContact CB-CG 4.49Å; L312-Y368 HydrophobicContact CD1-CD1 4.17Å; L312-Y368 HydrophobicContact CD1-CE1 3.61Å; L312-Y368 HydrophobicContact CG-CE1 4.44Å; L312-Y369 PolarHBondContact O-N 3.41Å
313	D	97	Very high	93.1	Very high	102 Å²	102	55.6 Å²	55.6	55%	0.545	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	38	178.7	-52.3	-26.7	0	0	0	113.7	E315 Y368 Y369	D313-E315 PolarHBondContact O-N 3.4Å; D313-Y368 WeakPolarHBondContact OD2-CD1 3.47Å; D313-Y369 WeakPolarHBondContact O-CB 3.09Å
314	W	97.5	Very high	93.2	Very high	56 Å²	56	51.3 Å²	51.3	21%	0.212	28%	0.28	C	S	.	.			trans	-60.8	129.9	178.2	-171.7	-94.8	0	0	0	111.7	W307 Q308 V311 L312 E317 I319 V355 Y369	W307-W314 HydrophobicContact CZ3-CZ3 4.38Å; Q308-W314 HydrophobicContact CG-CD2 3.64Å; Q308-W314 HydrophobicContact CG-CE3 3.76Å; Q308-W314 HydrophobicContact CG-CG 4.37Å; Q308-W314 HydrophobicContact CG-CH2 3.73Å; Q308-W314 HydrophobicContact CG-CZ2 3.58Å; Q308-W314 HydrophobicContact CG-CZ3 3.8Å; V311-W314 HydrophobicContact CB-CE3 4.15Å; V311-W314 HydrophobicContact CG1-CE3 4.07Å; L312-W314 VanDerWaalsContact C-N 3.28Å; L312-W314 PolarHBondContact O-N 2.57Å; W314-E317 PolarHBondContact NE1-O 3.25Å; W314-I319 HydrophobicContact CH2-CD1 3.65Å; W314-I319 HydrophobicContact CH2-CG1 3.52Å; W314-I319 HydrophobicContact CZ2-CD1 4.22Å; W314-I319 HydrophobicContact CZ2-CG1 3.71Å; W314-I319 HydrophobicContact CZ3-CD1 4.39Å; W314-V355 HydrophobicContact CH2-CG1 4.33Å; W314-V355 HydrophobicContact CH2-CG2 4.17Å; W314-V355 HydrophobicContact CZ3-CG1 4.16Å; W314-Y369 HydrophobicContact CD2-CD2 4.27Å; W314-Y369 AromaticContact CE3-CD2 3.64Å; W314-Y369 HydrophobicContact CE3-CD2 3.64Å; W314-Y369 HydrophobicContact CE3-CE2 4.27Å; W314-Y369 HydrophobicContact CE3-CG 4.25Å; W314-Y369 HydrophobicContact CH2-CD2 4.29Å; W314-Y369 HydrophobicContact CH2-CE2 4.24Å; W314-Y369 AromaticContact CZ3-CD2 3.66Å; W314-Y369 HydrophobicContact CZ3-CD2 3.66Å; W314-Y369 HydrophobicContact CZ3-CE2 4.07Å
315	E	96.6	Very high	93.2	Very high	135 Å²	135	51.1 Å²	51.1	63%	0.631	28%	0.279	S	S	*	.			trans	-128	143.6	176.8	-61.2	171.3	-175.2	0	0	110.5	D313 Y369 R372	D313-E315 PolarHBondContact O-N 3.4Å; E315-Y369 HydrophobicContact CB-CD1 4.05Å; E315-Y369 HydrophobicContact CB-CE1 3.72Å; E315-Y369 HydrophobicContact CG-CD1 4.36Å; E315-Y369 HydrophobicContact CG-CE1 4.43Å; E315-Y369 PolarHBondContact O-OH 2.89Å; E315-R372 PolarHBondContact O-NH2 3.42Å
316	G	94.6	Very high	93.3	Very high	64 Å²	64	52.5 Å²	52.5	66%	0.66	29%	0.285	S	S	*	.	S	Bend	trans	88.8	-167.9	-178.3	0	0	0	0	0	113.7
317	E	94.6	Very high	93.4	Very high	123 Å²	123	50.4 Å²	50.4	58%	0.575	28%	0.276	S	S	*	.	S	Bend	trans	-70.3	164.5	-175.8	-67	179.9	171.2	0	0	113	W314 R372	W314-E317 PolarHBondContact NE1-O 3.25Å; E317-R372 PolarHBondContact O-NH1 2.97Å; E317-R372 PolarHBondContact O-NH2 3.03Å
318	D	94.8	Very high	93.4	Very high	80 Å²	80	52.2 Å²	52.2	43%	0.428	28%	0.283	S	S	.	.			trans	-68.5	147.2	175.3	-72.3	-18	0	0	0	109.4	Q308 L320 D321	Q308-D318 PolarHBondContact NE2-OD1 2.89Å; D318-L320 PolarHBondContact O-N 3.06Å; D318-D321 PolarHBondContact N-OD2 3.1Å; D318-D321 VanDerWaalsContact N-OD2 3.15Å; D318-D321 WeakPolarHBondContact O-CB 3.4Å; D318-D321 PolarHBondContact O-N 3.5Å; D318-D321 VanDerWaalsContact O-N 3.15Å
319	I	94.9	Very high	93.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-59.4	-41.9	179.5	-62.9	160.4	0	0	0	109.9	I304 W307 Q308 W314 D321 R322 S323 F350 Q353	I304-I319 HydrophobicContact CG2-CB 3.84Å; I304-I319 HydrophobicContact CG2-CD1 3.92Å; I304-I319 HydrophobicContact CG2-CG2 3.62Å; W307-I319 HydrophobicContact CE3-CD1 3.55Å; W307-I319 HydrophobicContact CZ3-CD1 3.32Å; Q308-I319 HydrophobicContact CB-CD1 3.89Å; Q308-I319 HydrophobicContact CG-CD1 3.97Å; Q308-I319 HydrophobicContact CG-CG1 4.39Å; W314-I319 HydrophobicContact CH2-CD1 3.65Å; W314-I319 HydrophobicContact CH2-CG1 3.52Å; W314-I319 HydrophobicContact CZ2-CD1 4.22Å; W314-I319 HydrophobicContact CZ2-CG1 3.71Å; W314-I319 HydrophobicContact CZ3-CD1 4.39Å; I319-D321 PolarHBondContact O-N 3.37Å; I319-D321 VanDerWaalsContact O-N 3.07Å; I319-R322 PolarHBondContact O-N 3.11Å; I319-R322 VanDerWaalsContact O-N 3.11Å; I319-S323 WeakPolarHBondContact O-CB 3.44Å; I319-S323 PolarHBondContact O-N 2.92Å; I319-F350 HydrophobicContact CD1-CE2 4.34Å; I319-F350 HydrophobicContact CD1-CZ 4.08Å; I319-F350 HydrophobicContact CG2-CD1 3.95Å; I319-F350 HydrophobicContact CG2-CD2 4.37Å; I319-F350 HydrophobicContact CG2-CE1 4.08Å; I319-F350 HydrophobicContact CG2-CE2 4.48Å; I319-F350 HydrophobicContact CG2-CG 4.12Å; I319-F350 HydrophobicContact CG2-CZ 4.34Å; I319-Q353 PolarHBondContact O-NE2 2.81Å
320	L	92.9	Very high	93.5	Very high	11 Å²	11	51.3 Å²	51.3	6%	0.058	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-65.5	-7.9	-178.9	-63.6	-179.5	0	0	0	114.3	I301 I304 A305 D318 R322 S323 I444 K449 A452	I301-L320 HydrophobicContact CB-CD2 4.46Å; I301-L320 HydrophobicContact CG2-CD1 3.6Å; I301-L320 HydrophobicContact CG2-CD2 3.88Å; I301-L320 HydrophobicContact CG2-CG 4.39Å; I304-L320 HydrophobicContact CB-CD2 4.09Å; I304-L320 HydrophobicContact CD1-CD2 4.36Å; I304-L320 HydrophobicContact CG2-CD2 3.89Å; I304-L320 HydrophobicContact CG2-CG 4.24Å; A305-L320 HydrophobicContact CB-CD1 3.97Å; D318-L320 PolarHBondContact O-N 3.06Å; L320-R322 VanDerWaalsContact C-N 3.31Å; L320-S323 WeakPolarHBondContact CA-O 3.29Å; L320-I444 HydrophobicContact CD2-CD1 4.3Å; L320-K449 WeakPolarHBondContact O-CE 3.37Å; L320-A452 HydrophobicContact CD1-CB 3.82Å
321	D	91.8	Very high	93.7	Very high	74 Å²	74	52.2 Å²	52.2	40%	0.396	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-71.5	-30	173.2	-67.6	-28.9	0	0	0	111.6	D318 I319	D318-D321 PolarHBondContact N-OD2 3.1Å; D318-D321 VanDerWaalsContact N-OD2 3.15Å; D318-D321 WeakPolarHBondContact O-CB 3.4Å; D318-D321 PolarHBondContact O-N 3.5Å; D318-D321 VanDerWaalsContact O-N 3.15Å; I319-D321 PolarHBondContact O-N 3.37Å; I319-D321 VanDerWaalsContact O-N 3.07Å
322	R	91.4	Very high	93.8	Very high	86 Å²	86	51.9 Å²	51.9	33%	0.325	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-13	-179.3	-55.2	-157.4	-54.8	154.2	4.8	115.2	I319 L320 H352 D374	I319-R322 PolarHBondContact O-N 3.11Å; I319-R322 VanDerWaalsContact O-N 3.11Å; L320-R322 VanDerWaalsContact C-N 3.31Å; R322-H352 PolarHBondContact O-CD2 3.1Å; R322-D374 IonicContact CZ-OD1 3.53Å; R322-D374 VanDerWaalsContact CZ-OD1 3.29Å; R322-D374 IonicContact NH1-OD1 2.67Å; R322-D374 PolarHBondContact NH1-OD1 3.16Å; R322-D374 IonicContact NH1-OD2 3.9Å; R322-D374 IonicContact NH2-OD1 3.71Å; R322-D374 PolarHBondContact NH2-OD1 2.97Å
323	S	92.4	Very high	94	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.007	26%	0.257	C	S	.	.			trans	-134.4	146.6	-169.7	-54.5	0	0	0	0	112.2	I319 L320 D351 Q353 I444	I319-S323 WeakPolarHBondContact O-CB 3.44Å; I319-S323 PolarHBondContact O-N 2.92Å; L320-S323 WeakPolarHBondContact CA-O 3.29Å; S323-D351 WeakPolarHBondContact CA-OD1 3.23Å; S323-D351 WeakPolarHBondContact CB-O 3.37Å; S323-D351 VanDerWaalsContact CB-OD1 3.27Å; S323-D351 WeakPolarHBondContact CB-OD1 3.33Å; S323-D351 PolarHBondContact OG-O 3.43Å; S323-Q353 WeakPolarHBondContact OG-CG 3.49Å; S323-Q353 PolarHBondContact OG-NE2 2.76Å; S323-I444 VanDerWaalsContact O-CD1 3.26Å; S323-I444 WeakPolarHBondContact O-CD1 3.45Å
324	S	89	Confident	94	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.014	23%	0.234	C	C	.	.			trans	-122.9	-15.7	-175.9	65.4	0	0	0	0	114.2	I304 D351 F442 I444	I304-S324 WeakPolarHBondContact CD1-O 3.33Å; S324-D351 VanDerWaalsContact N-CG 3.28Å; S324-D351 PolarHBondContact N-OD1 3.36Å; S324-D351 PolarHBondContact N-OD2 3.03Å; S324-D351 PolarHBondContact OG-OD2 3.36Å; S324-F442 WeakPolarHBondContact OG-CE1 3.44Å; S324-I444 VanDerWaalsContact CB-CD1 3.44Å
325	E	89.8	Confident	94	Very high	3 Å²	3	42.4 Å²	42.4	1%	0.014	23%	0.226	C	C	.	.			trans	-146.2	137	-170.9	-178.2	61.4	-168.7	0	0	111.8	R296 R297 N300 F350 D351 M433	R296-E325 IonicContact CZ-OE1 3.98Å; R296-E325 IonicContact NH1-OE1 3.73Å; R296-E325 PolarHBondContact NH1-OE1 3.26Å; R296-E325 IonicContact NH2-OE1 3.93Å; R296-E325 PolarHBondContact NH2-OE1 2.92Å; R297-E325 HydrophobicContact CG-CB 4.13Å; R297-E325 HydrophobicContact CG-CG 4.16Å; N300-E325 PolarHBondContact ND2-OE1 2.85Å; N300-E325 PolarHBondContact ND2-OE2 3.44Å; E325-F350 VanDerWaalsContact O-CA 3.27Å; E325-F350 WeakPolarHBondContact O-CA 3.43Å; E325-F350 WeakPolarHBondContact O-CD1 3.27Å; E325-D351 PolarHBondContact N-OD1 3.14Å; E325-D351 PolarHBondContact O-N 2.91Å; E325-M433 HydrophobicContact CB-SD 4.17Å; E325-M433 HydrophobicContact CG-CE 4.26Å; E325-M433 HydrophobicContact CG-SD 4.38Å
326	L	92.3	Very high	93.9	Very high	42 Å²	42	40.8 Å²	40.8	22%	0.22	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	113.4	169.6	176.8	68.9	0	0	0	109.1	F348 F350	L326-F348 HydrophobicContact CD1-CB 4.01Å; L326-F348 HydrophobicContact CD1-CD1 4.39Å; L326-F350 HydrophobicContact CB-CD1 3.97Å; L326-F350 HydrophobicContact CB-CE1 3.72Å; L326-F350 HydrophobicContact CD1-CD1 4.07Å; L326-F350 HydrophobicContact CD1-CD2 4.38Å; L326-F350 HydrophobicContact CD1-CE1 3.72Å; L326-F350 HydrophobicContact CD1-CE2 4.06Å; L326-F350 HydrophobicContact CD1-CG 4.38Å; L326-F350 HydrophobicContact CD1-CZ 3.71Å; L326-F350 HydrophobicContact CG-CE1 4.27Å
327	I	91.1	Very high	93.9	Very high	35 Å²	35	43 Å²	43	18%	0.179	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-43.6	-174.2	-60.9	170.4	0	0	0	111	L349 D351 A426 E429 E430 M433	I327-L349 HydrophobicContact CB-CG 4.49Å; I327-L349 HydrophobicContact CG2-CD2 4.48Å; I327-L349 PolarHBondContact N-O 3.01Å; I327-D351 HydrophobicContact CD1-CB 4.48Å; I327-A426 HydrophobicContact CG2-CB 4.39Å; I327-E429 HydrophobicContact CG2-CB 4.41Å; I327-E430 VanDerWaalsContact CD1-CA 3.49Å; I327-E430 HydrophobicContact CD1-CB 3.38Å; I327-E430 HydrophobicContact CD1-CG 3.33Å; I327-M433 HydrophobicContact CD1-CE 4.15Å; I327-M433 HydrophobicContact CD1-SD 4.02Å; I327-M433 HydrophobicContact CG1-CE 4Å; I327-M433 HydrophobicContact CG1-SD 4.23Å
328	Y	94.4	Very high	93.8	Very high	63 Å²	63	39.3 Å²	39.3	25%	0.247	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	153.3	179	-163.2	-120.2	0	0	0	112.9	L349 R422 W423 A426	Y328-L349 PolarHBondContact N-O 3.26Å; Y328-L349 PolarHBondContact O-N 3.49Å; Y328-R422 HydrophobicContact CE1-CB 4.25Å; Y328-R422 WeakPolarHBondContact OH-CD 3.34Å; Y328-W423 AromaticContact CD1-CD2 3.71Å; Y328-W423 HydrophobicContact CD1-CD2 3.71Å; Y328-W423 AromaticContact CD1-CE2 3.71Å; Y328-W423 AromaticContact CD1-CE3 3.84Å; Y328-W423 HydrophobicContact CD1-CE3 3.84Å; Y328-W423 HydrophobicContact CD1-CG 4.32Å; Y328-W423 AromaticContact CD1-CH2 3.95Å; Y328-W423 HydrophobicContact CD1-CH2 3.95Å; Y328-W423 AromaticContact CD1-CZ2 3.85Å; Y328-W423 HydrophobicContact CD1-CZ2 3.85Å; Y328-W423 AromaticContact CD1-CZ3 3.96Å; Y328-W423 HydrophobicContact CD1-CZ3 3.96Å; Y328-W423 AromaticContact CE1-CD2 3.85Å; Y328-W423 HydrophobicContact CE1-CD2 3.85Å; Y328-W423 AromaticContact CE1-CE2 3.62Å; Y328-W423 HydrophobicContact CE1-CE3 4.45Å; Y328-W423 HydrophobicContact CE1-CG 4.1Å; Y328-W423 HydrophobicContact CE1-CZ2 4.03Å; Y328-W423 AromaticContact CE1-NE1 3.74Å; Y328-A426 HydrophobicContact CD1-CB 4.12Å; Y328-A426 HydrophobicContact CG-CB 3.91Å
329	T	94.6	Very high	93.6	Very high	45 Å²	45	44.6 Å²	44.6	28%	0.276	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	146.6	172.6	-177.1	0	0	0	0	111.2	F347 F348	T329-F347 WeakPolarHBondContact CA-O 2.81Å; T329-F347 WeakPolarHBondContact CB-O 3.33Å; T329-F347 PolarHBondContact OG1-O 3.3Å; T329-F348 VanDerWaalsContact OG1-CD1 3.27Å; T329-F348 WeakPolarHBondContact OG1-CD1 3.33Å; T329-F348 VanDerWaalsContact OG1-CE1 3.29Å; T329-F348 WeakPolarHBondContact OG1-CE1 3.42Å
330	G	93.1	Very high	93.5	Very high	18 Å²	18	45.9 Å²	45.9	19%	0.186	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.3	166.7	-179.9	0	0	0	0	0	113.2	F347	G330-F347 PolarHBondContact N-O 2.94Å; G330-F347 VanDerWaalsContact N-O 3.12Å; G330-F347 PolarHBondContact O-N 2.9Å
331	E	95.2	Very high	93.6	Very high	75 Å²	75	55.8 Å²	55.8	35%	0.35	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	131.8	174.5	-67.6	-178.5	-173.7	0	0	110.5	R345 V346 K359 K415	E331-R345 WeakPolarHBondContact CA-O 3.44Å; E331-V346 HydrophobicContact CG-CG2 4.17Å; E331-K359 IonicContact OE1-NZ 3.71Å; E331-K359 PolarHBondContact OE1-NZ 2.88Å; E331-K415 IonicContact OE2-NZ 2.74Å; E331-K415 PolarHBondContact OE2-NZ 3.23Å
332	M	97.4	Very high	93.8	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	155.3	171.9	-65.7	-176.6	-70.9	0	0	110.5	R345 F347 F399 F412 F413 W423	M332-R345 PolarHBondContact N-O 3.05Å; M332-R345 PolarHBondContact O-N 3.21Å; M332-F347 HydrophobicContact CB-CD2 3.87Å; M332-F347 HydrophobicContact CB-CE2 3.72Å; M332-F347 HydrophobicContact CE-CB 4.04Å; M332-F347 HydrophobicContact CE-CD1 4.44Å; M332-F347 HydrophobicContact CE-CD2 3.54Å; M332-F347 HydrophobicContact CE-CE2 4.08Å; M332-F347 HydrophobicContact CE-CG 3.75Å; M332-F347 HydrophobicContact CG-CD2 4.42Å; M332-F399 HydrophobicContact CE-CZ 4.12Å; M332-F399 HydrophobicContact SD-CE1 3.76Å; M332-F399 HydrophobicContact SD-CZ 3.68Å; M332-F412 HydrophobicContact CE-CD1 3.89Å; M332-F412 HydrophobicContact CE-CE1 4.47Å; M332-F412 HydrophobicContact SD-CB 4.43Å; M332-F412 HydrophobicContact SD-CD1 4.45Å; M332-F413 WeakPolarHBondContact CB-O 3.1Å; M332-W423 HydrophobicContact CE-CD2 3.62Å; M332-W423 HydrophobicContact CE-CE3 3.91Å; M332-W423 HydrophobicContact CE-CG 4.25Å; M332-W423 HydrophobicContact CE-CH2 3.83Å; M332-W423 HydrophobicContact CE-CZ2 3.48Å; M332-W423 VanDerWaalsContact CE-CZ2 3.48Å; M332-W423 HydrophobicContact CE-CZ3 4.01Å; M332-W423 HydrophobicContact CG-CZ2 4.46Å; M332-W423 HydrophobicContact SD-CD2 3.77Å; M332-W423 VanDerWaalsContact SD-CE2 3.54Å; M332-W423 HydrophobicContact SD-CG 3.76Å; M332-W423 HydrophobicContact SD-CZ2 4.21Å; M332-W423 PolarHBondContact SD-NE1 2.99Å
333	A	97.7	Very high	94.1	Very high	9 Å²	9	55.3 Å²	55.3	7%	0.074	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	145.4	160.1	0	0	0	0	0	108.5	N342 Q343 F413	A333-N342 WeakPolarHBondContact CB-OD1 3.29Å; A333-Q343 CarbonylContact C-O 3.57Å; A333-Q343 WeakPolarHBondContact CA-O 3.39Å; A333-F413 HydrophobicContact CB-CB 3.95Å; A333-F413 HydrophobicContact CB-CD2 4.25Å; A333-F413 PolarHBondContact N-O 2.8Å; A333-F413 PolarHBondContact O-N 2.9Å
334	W	97.9	Very high	94.3	Very high	14 Å²	14	60.1 Å²	60.1	5%	0.053	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	159.5	173.3	85.9	-42.7	0	0	0	112.3	Y336 N342 Q343 F347 L356 I373 L411 F412	W334-Y336 AromaticContact CH2-CD2 3.49Å; W334-Y336 HydrophobicContact CH2-CD2 3.49Å; W334-Y336 VanDerWaalsContact CH2-CD2 3.49Å; W334-Y336 HydrophobicContact CH2-CE2 4.41Å; W334-Y336 HydrophobicContact CH2-CG 4.21Å; W334-Y336 HydrophobicContact CZ2-CD2 4.29Å; W334-Y336 AromaticContact CZ3-CD2 3.84Å; W334-Y336 HydrophobicContact CZ3-CD2 3.84Å; W334-N342 WeakPolarHBondContact O-CA 3.47Å; W334-Q343 PolarHBondContact N-O 3.17Å; W334-Q343 PolarHBondContact O-N 2.88Å; W334-F347 HydrophobicContact CB-CZ 3.89Å; W334-F347 HydrophobicContact CD2-CE1 4.34Å; W334-F347 AromaticContact CD2-CZ 3.97Å; W334-F347 HydrophobicContact CD2-CZ 3.97Å; W334-F347 HydrophobicContact CE3-CE1 4.42Å; W334-F347 HydrophobicContact CE3-CZ 4.42Å; W334-F347 AromaticContact CG-CZ 3.71Å; W334-F347 HydrophobicContact CG-CZ 3.71Å; W334-L356 HydrophobicContact CH2-CD1 4.02Å; W334-L356 HydrophobicContact CH2-CD2 4.08Å; W334-L356 HydrophobicContact CZ2-CD1 3.51Å; W334-L356 HydrophobicContact CZ2-CD2 4.41Å; W334-I373 HydrophobicContact CZ3-CD1 4.08Å; W334-L411 CarbonylContact C-O 3.56Å; W334-L411 WeakPolarHBondContact CA-O 3.24Å; W334-L411 WeakPolarHBondContact CB-O 3.41Å; W334-F412 HydrophobicContact CB-CD1 3.91Å; W334-F412 HydrophobicContact CB-CE1 4.14Å; W334-F412 HydrophobicContact CB-CG 4.47Å; W334-F412 AromaticContact CE3-CE1 3.94Å; W334-F412 HydrophobicContact CE3-CE1 3.94Å; W334-F412 AromaticContact CE3-CZ 3.87Å; W334-F412 HydrophobicContact CE3-CZ 3.87Å; W334-F412 HydrophobicContact CZ3-CZ 4.46Å
335	I	97.5	Very high	94.7	Very high	9 Å²	9	61.8 Å²	61.8	5%	0.046	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	117.8	171.3	-58.6	172.7	0	0	0	107.1	Q337 N342 F391 V393 L411 F413	I335-Q337 WeakPolarHBondContact CG2-O 3.31Å; I335-N342 HydrophobicContact CG1-CB 4.13Å; I335-F391 HydrophobicContact CB-CD1 4.21Å; I335-F391 HydrophobicContact CB-CE1 4.09Å; I335-F391 HydrophobicContact CG2-CD1 3.82Å; I335-F391 HydrophobicContact CG2-CE1 3.76Å; I335-V393 HydrophobicContact CD1-CG1 4.45Å; I335-L411 HydrophobicContact CB-CB 4.47Å; I335-L411 PolarHBondContact N-O 2.94Å; I335-L411 PolarHBondContact O-N 3.1Å; I335-F413 HydrophobicContact CD1-CE2 3.87Å; I335-F413 HydrophobicContact CD1-CZ 4.21Å; I335-F413 HydrophobicContact CG1-CE2 4.07Å
336	Y	94.9	Very high	95	Very high	101 Å²	101	62.2 Å²	62.2	40%	0.396	29%	0.292	S	S	.	.	S	Bend	trans	-66.9	-38.1	-175	175.9	-109.8	0	0	0	113.2	W334 E408 I409 H410	W334-Y336 AromaticContact CH2-CD2 3.49Å; W334-Y336 HydrophobicContact CH2-CD2 3.49Å; W334-Y336 VanDerWaalsContact CH2-CD2 3.49Å; W334-Y336 HydrophobicContact CH2-CE2 4.41Å; W334-Y336 HydrophobicContact CH2-CG 4.21Å; W334-Y336 HydrophobicContact CZ2-CD2 4.29Å; W334-Y336 AromaticContact CZ3-CD2 3.84Å; W334-Y336 HydrophobicContact CZ3-CD2 3.84Å; Y336-E408 PolarHBondContact OH-OE1 2.6Å; Y336-I409 VanDerWaalsContact O-O 3.14Å; Y336-H410 AromaticContact CD2-CE1 3.51Å; Y336-H410 AromaticContact CD2-ND1 3.73Å; Y336-H410 AromaticContact CE2-CE1 3.24Å; Y336-H410 WeakPolarHBondContact CE2-CE1 3.38Å; Y336-H410 AromaticContact CE2-ND1 3.94Å; Y336-H410 AromaticContact CE2-NE2 3.92Å; Y336-H410 PolarHBondContact O-CE1 2.85Å; Y336-H410 PolarHBondContact O-ND1 3.25Å
337	Q	94.4	Very high	95.3	Very high	112 Å²	112	60.2 Å²	60.2	52%	0.523	28%	0.282	S	S	.	.	S	Bend	trans	-147.9	159.1	179.9	66.6	-176.7	27.9	0	0	109.7	I335 Y339 G340 F391	I335-Q337 WeakPolarHBondContact CG2-O 3.31Å; Q337-Y339 PolarHBondContact O-N 3.27Å; Q337-G340 WeakPolarHBondContact O-CA 3.31Å; Q337-G340 PolarHBondContact O-N 2.81Å; Q337-F391 VanDerWaalsContact C-CE1 3.47Å
338	P	92.9	Very high	95.7	Very high	45 Å²	45	58.7 Å²	58.7	29%	0.292	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	137.8	174.9	-30.7	37.2	0	0	0	112.6	G340 F391 I409	P338-G340 PolarHBondContact O-N 3.37Å; P338-G340 VanDerWaalsContact O-N 3.09Å; P338-F391 HydrophobicContact CG-CE1 4.29Å; P338-F391 HydrophobicContact CG-CE2 4.44Å; P338-F391 HydrophobicContact CG-CZ 4.22Å; P338-I409 HydrophobicContact CG-CG2 4.13Å
339	Y	90.5	Very high	95.8	Very high	191 Å²	191	55.7 Å²	55.7	75%	0.749	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	7.6	-173.5	-41.9	-69.1	0	0	0	115.8	Q337 N392	Q337-Y339 PolarHBondContact O-N 3.27Å; Y339-N392 HydrophobicContact CE1-CB 4.47Å
340	G	92.4	Very high	95.9	Very high	26 Å²	26	53.7 Å²	53.7	27%	0.268	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-69.3	162.1	174.7	0	0	0	0	0	113.1	Q337 P338	Q337-G340 WeakPolarHBondContact O-CA 3.31Å; Q337-G340 PolarHBondContact O-N 2.81Å; P338-G340 PolarHBondContact O-N 3.37Å; P338-G340 VanDerWaalsContact O-N 3.09Å
341	R	94.8	Very high	96	Very high	219 Å²	219	53 Å²	53	83%	0.826	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-75	138.1	174.6	-67	-176	-172.6	169.5	3.1	110.6
342	N	95.7	Very high	96.1	Very high	88 Å²	88	51 Å²	51	47%	0.471	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-66.7	130.7	168.6	-170.8	-39	0	0	0	110.4	A333 W334 I335	A333-N342 WeakPolarHBondContact CB-OD1 3.29Å; W334-N342 WeakPolarHBondContact O-CA 3.47Å; I335-N342 HydrophobicContact CG1-CB 4.13Å
343	Q	97	Very high	96.1	Very high	62 Å²	62	51 Å²	51	29%	0.29	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	137.5	-178.5	-61.3	168.4	36	0	0	110.2	A333 W334	A333-Q343 CarbonylContact C-O 3.57Å; A333-Q343 WeakPolarHBondContact CA-O 3.39Å; W334-Q343 PolarHBondContact N-O 3.17Å; W334-Q343 PolarHBondContact O-N 2.88Å
344	Q	96.9	Very high	96.1	Very high	103 Å²	103	50.6 Å²	50.6	48%	0.481	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.2	170	-66.5	-69.4	-30	0	0	109.6
345	R	97.8	Very high	96.2	Very high	36 Å²	36	49.9 Å²	49.9	14%	0.136	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	156.9	-179.9	-66	-66.7	178.1	-93.7	0.1	110.7	E331 M332 F347 L356 C357	E331-R345 WeakPolarHBondContact CA-O 3.44Å; M332-R345 PolarHBondContact N-O 3.05Å; M332-R345 PolarHBondContact O-N 3.21Å; R345-F347 HydrophobicContact CB-CD2 4.21Å; R345-F347 HydrophobicContact CB-CE1 4.45Å; R345-F347 HydrophobicContact CB-CE2 3.57Å; R345-F347 HydrophobicContact CB-CZ 3.71Å; R345-F347 HydrophobicContact CG-CZ 4.39Å; R345-L356 HydrophobicContact CB-CB 4.48Å; R345-L356 HydrophobicContact CG-CD1 4.07Å; R345-C357 WeakPolarHBondContact CA-O 3.47Å; R345-C357 VanDerWaalsContact CD-O 3.29Å; R345-C357 WeakPolarHBondContact CD-O 3.43Å
346	V	97.5	Very high	96.2	Very high	12 Å²	12	49.7 Å²	49.7	7%	0.073	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	124.8	166	-167.7	0	0	0	0	106.8	E331 F348 L356 C357 K359 L367	E331-V346 HydrophobicContact CG-CG2 4.17Å; V346-F348 HydrophobicContact CB-CE2 3.85Å; V346-F348 HydrophobicContact CB-CZ 4.25Å; V346-F348 HydrophobicContact CG1-CD2 4.39Å; V346-F348 HydrophobicContact CG1-CE1 4.38Å; V346-F348 HydrophobicContact CG1-CE2 3.52Å; V346-F348 HydrophobicContact CG1-CZ 3.51Å; V346-L356 WeakPolarHBondContact O-CA 3.23Å; V346-C357 PolarHBondContact N-O 2.82Å; V346-C357 PolarHBondContact O-N 3.03Å; V346-K359 HydrophobicContact CG2-CD 3.95Å; V346-K359 HydrophobicContact CG2-CG 3.78Å; V346-L367 HydrophobicContact CG2-CD2 4.11Å
347	F	98.1	Very high	96.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	143.4	-179.8	-65.9	-90.1	0	0	0	109.9	T329 G330 M332 W334 R345 M354 V355 L356 F412 W423	T329-F347 WeakPolarHBondContact CA-O 2.81Å; T329-F347 WeakPolarHBondContact CB-O 3.33Å; T329-F347 PolarHBondContact OG1-O 3.3Å; G330-F347 PolarHBondContact N-O 2.94Å; G330-F347 VanDerWaalsContact N-O 3.12Å; G330-F347 PolarHBondContact O-N 2.9Å; M332-F347 HydrophobicContact CB-CD2 3.87Å; M332-F347 HydrophobicContact CB-CE2 3.72Å; M332-F347 HydrophobicContact CE-CB 4.04Å; M332-F347 HydrophobicContact CE-CD1 4.44Å; M332-F347 HydrophobicContact CE-CD2 3.54Å; M332-F347 HydrophobicContact CE-CE2 4.08Å; M332-F347 HydrophobicContact CE-CG 3.75Å; M332-F347 HydrophobicContact CG-CD2 4.42Å; W334-F347 HydrophobicContact CB-CZ 3.89Å; W334-F347 HydrophobicContact CD2-CE1 4.34Å; W334-F347 AromaticContact CD2-CZ 3.97Å; W334-F347 HydrophobicContact CD2-CZ 3.97Å; W334-F347 HydrophobicContact CE3-CE1 4.42Å; W334-F347 HydrophobicContact CE3-CZ 4.42Å; W334-F347 AromaticContact CG-CZ 3.71Å; W334-F347 HydrophobicContact CG-CZ 3.71Å; R345-F347 HydrophobicContact CB-CD2 4.21Å; R345-F347 HydrophobicContact CB-CE1 4.45Å; R345-F347 HydrophobicContact CB-CE2 3.57Å; R345-F347 HydrophobicContact CB-CZ 3.71Å; R345-F347 HydrophobicContact CG-CZ 4.39Å; F347-M354 HydrophobicContact CB-CG 4.47Å; F347-M354 HydrophobicContact CB-SD 4.17Å; F347-M354 HydrophobicContact CD1-CE 4.03Å; F347-M354 HydrophobicContact CD1-CG 4.39Å; F347-M354 HydrophobicContact CD1-SD 4.06Å; F347-M354 HydrophobicContact CG-SD 4.47Å; F347-V355 CarbonylContact C-O 3.56Å; F347-V355 WeakPolarHBondContact CA-O 3.38Å; F347-L356 HydrophobicContact CD1-CB 3.71Å; F347-L356 HydrophobicContact CE1-CB 3.63Å; F347-L356 HydrophobicContact CE1-CD2 4.36Å; F347-L356 HydrophobicContact CE1-CG 4.42Å; F347-L356 HydrophobicContact CZ-CB 4.42Å; F347-F412 HydrophobicContact CD1-CE1 4.19Å; F347-F412 HydrophobicContact CE1-CD1 4.31Å; F347-F412 AromaticContact CE1-CE1 3.57Å; F347-F412 HydrophobicContact CE1-CE1 3.57Å; F347-F412 HydrophobicContact CE2-CD1 4.49Å; F347-F412 HydrophobicContact CZ-CD1 4.09Å; F347-F412 AromaticContact CZ-CE1 3.75Å; F347-F412 HydrophobicContact CZ-CE1 3.75Å; F347-W423 HydrophobicContact CB-CH2 3.48Å; F347-W423 VanDerWaalsContact CB-CH2 3.48Å; F347-W423 HydrophobicContact CB-CZ2 3.94Å; F347-W423 HydrophobicContact CB-CZ3 4.33Å
348	F	98.1	Very high	96.4	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	103.7	178.7	-59.5	-94.8	0	0	0	107.2	W307 L326 T329 V346 F350 M354 V355 C357 L367	W307-F348 AromaticContact CE2-CE1 3.89Å; W307-F348 HydrophobicContact CH2-CB 4.06Å; W307-F348 HydrophobicContact CH2-CD1 4.11Å; W307-F348 AromaticContact CH2-CD2 3.83Å; W307-F348 HydrophobicContact CH2-CD2 3.83Å; W307-F348 HydrophobicContact CH2-CE2 4.32Å; W307-F348 AromaticContact CH2-CG 3.73Å; W307-F348 HydrophobicContact CH2-CG 3.73Å; W307-F348 HydrophobicContact CZ2-CB 4.36Å; W307-F348 AromaticContact CZ2-CD1 3.57Å; W307-F348 HydrophobicContact CZ2-CD1 3.57Å; W307-F348 AromaticContact CZ2-CD2 3.56Å; W307-F348 HydrophobicContact CZ2-CD2 3.56Å; W307-F348 AromaticContact CZ2-CE1 3.62Å; W307-F348 HydrophobicContact CZ2-CE1 3.62Å; W307-F348 AromaticContact CZ2-CE2 3.62Å; W307-F348 HydrophobicContact CZ2-CE2 3.62Å; W307-F348 AromaticContact CZ2-CG 3.56Å; W307-F348 HydrophobicContact CZ2-CG 3.56Å; W307-F348 AromaticContact CZ2-CZ 3.65Å; W307-F348 HydrophobicContact CZ2-CZ 3.65Å; W307-F348 AromaticContact NE1-CE1 3.83Å; L326-F348 HydrophobicContact CD1-CB 4.01Å; L326-F348 HydrophobicContact CD1-CD1 4.39Å; T329-F348 VanDerWaalsContact OG1-CD1 3.27Å; T329-F348 WeakPolarHBondContact OG1-CD1 3.33Å; T329-F348 VanDerWaalsContact OG1-CE1 3.29Å; T329-F348 WeakPolarHBondContact OG1-CE1 3.42Å; V346-F348 HydrophobicContact CB-CE2 3.85Å; V346-F348 HydrophobicContact CB-CZ 4.25Å; V346-F348 HydrophobicContact CG1-CD2 4.39Å; V346-F348 HydrophobicContact CG1-CE1 4.38Å; V346-F348 HydrophobicContact CG1-CE2 3.52Å; V346-F348 HydrophobicContact CG1-CZ 3.51Å; F348-F350 HydrophobicContact CB-CD2 4.36Å; F348-F350 HydrophobicContact CB-CE2 3.61Å; F348-F350 HydrophobicContact CB-CZ 4.21Å; F348-F350 WeakPolarHBondContact O-CD2 3.13Å; F348-M354 CarbonylContact O-C 3.54Å; F348-M354 WeakPolarHBondContact O-CA 2.85Å; F348-V355 HydrophobicContact CB-CB 4.44Å; F348-V355 PolarHBondContact N-O 2.83Å; F348-V355 PolarHBondContact O-N 3.41Å; F348-C357 HydrophobicContact CE2-CB 4.09Å; F348-L367 HydrophobicContact CE2-CD1 4.11Å; F348-L367 HydrophobicContact CZ-CD1 3.63Å
349	L	97.9	Very high	96.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	114.8	179.8	-180	65.3	0	0	0	109.1	I327 Y328 M354 M375 W423 A426 F427 E430	I327-L349 HydrophobicContact CB-CG 4.49Å; I327-L349 HydrophobicContact CG2-CD2 4.48Å; I327-L349 PolarHBondContact N-O 3.01Å; Y328-L349 PolarHBondContact N-O 3.26Å; Y328-L349 PolarHBondContact O-N 3.49Å; L349-M354 HydrophobicContact CB-CG 4.36Å; L349-M354 HydrophobicContact CB-SD 4.49Å; L349-M354 HydrophobicContact CD1-CB 3.91Å; L349-M354 HydrophobicContact CD1-CG 4.25Å; L349-M354 HydrophobicContact CD1-SD 4.32Å; L349-M375 HydrophobicContact CD1-CG 3.95Å; L349-M375 HydrophobicContact CD1-SD 4.31Å; L349-W423 HydrophobicContact CB-CZ3 4.09Å; L349-A426 HydrophobicContact CD2-CB 3.91Å; L349-F427 HydrophobicContact CD1-CD1 3.99Å; L349-F427 HydrophobicContact CD1-CE1 3.83Å; L349-F427 HydrophobicContact CD2-CD1 3.73Å; L349-F427 HydrophobicContact CD2-CE1 3.99Å; L349-F427 HydrophobicContact CD2-CG 4.33Å; L349-E430 HydrophobicContact CD1-CG 4.12Å; L349-E430 HydrophobicContact CD2-CB 4.16Å; L349-E430 HydrophobicContact CD2-CG 4.46Å; L349-E430 HydrophobicContact CG-CB 4.44Å; L349-E430 HydrophobicContact CG-CG 4.23Å
350	F	96.8	Very high	96.7	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.009	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	168	170.2	-58.3	-92.7	0	0	0	109.4	I304 W307 I319 E325 L326 F348 H352 Q353 V355 E430	I304-F350 HydrophobicContact CD1-CD1 4.32Å; I304-F350 HydrophobicContact CD1-CE1 4.17Å; I304-F350 HydrophobicContact CG1-CE1 4.13Å; I304-F350 HydrophobicContact CG2-CE1 4.19Å; W307-F350 AromaticContact CE3-CZ 3.95Å; W307-F350 HydrophobicContact CE3-CZ 3.95Å; W307-F350 HydrophobicContact CH2-CE2 4.26Å; W307-F350 HydrophobicContact CH2-CZ 4.27Å; W307-F350 AromaticContact CZ3-CE2 3.86Å; W307-F350 HydrophobicContact CZ3-CE2 3.86Å; W307-F350 AromaticContact CZ3-CZ 3.61Å; W307-F350 HydrophobicContact CZ3-CZ 3.61Å; I319-F350 HydrophobicContact CD1-CE2 4.34Å; I319-F350 HydrophobicContact CD1-CZ 4.08Å; I319-F350 HydrophobicContact CG2-CD1 3.95Å; I319-F350 HydrophobicContact CG2-CD2 4.37Å; I319-F350 HydrophobicContact CG2-CE1 4.08Å; I319-F350 HydrophobicContact CG2-CE2 4.48Å; I319-F350 HydrophobicContact CG2-CG 4.12Å; I319-F350 HydrophobicContact CG2-CZ 4.34Å; E325-F350 VanDerWaalsContact O-CA 3.27Å; E325-F350 WeakPolarHBondContact O-CA 3.43Å; E325-F350 WeakPolarHBondContact O-CD1 3.27Å; L326-F350 HydrophobicContact CB-CD1 3.97Å; L326-F350 HydrophobicContact CB-CE1 3.72Å; L326-F350 HydrophobicContact CD1-CD1 4.07Å; L326-F350 HydrophobicContact CD1-CD2 4.38Å; L326-F350 HydrophobicContact CD1-CE1 3.72Å; L326-F350 HydrophobicContact CD1-CE2 4.06Å; L326-F350 HydrophobicContact CD1-CG 4.38Å; L326-F350 HydrophobicContact CD1-CZ 3.71Å; L326-F350 HydrophobicContact CG-CE1 4.27Å; F348-F350 HydrophobicContact CB-CD2 4.36Å; F348-F350 HydrophobicContact CB-CE2 3.61Å; F348-F350 HydrophobicContact CB-CZ 4.21Å; F348-F350 WeakPolarHBondContact O-CD2 3.13Å; F350-H352 PolarHBondContact O-N 2.96Å; F350-Q353 CarbonylContact C-O 3.46Å; F350-Q353 WeakPolarHBondContact CA-O 3.38Å; F350-Q353 HydrophobicContact CB-CG 4.4Å; F350-Q353 WeakPolarHBondContact CB-O 3.46Å; F350-Q353 PolarHBondContact N-O 3.12Å; F350-Q353 PolarHBondContact O-N 3.41Å; F350-V355 HydrophobicContact CD2-CG2 4.39Å; F350-V355 HydrophobicContact CE2-CB 4.4Å; F350-V355 HydrophobicContact CE2-CG2 4.2Å; F350-E430 WeakPolarHBondContact O-CG 3.44Å
351	D	94.1	Very high	96.5	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.027	21%	0.209	C	C	.	.	S	Bend	trans	-54	132	162.1	50.7	-35.6	0	0	0	110.2	S323 S324 E325 I327 Q353 M433 V434	S323-D351 WeakPolarHBondContact CA-OD1 3.23Å; S323-D351 WeakPolarHBondContact CB-O 3.37Å; S323-D351 VanDerWaalsContact CB-OD1 3.27Å; S323-D351 WeakPolarHBondContact CB-OD1 3.33Å; S323-D351 PolarHBondContact OG-O 3.43Å; S324-D351 VanDerWaalsContact N-CG 3.28Å; S324-D351 PolarHBondContact N-OD1 3.36Å; S324-D351 PolarHBondContact N-OD2 3.03Å; S324-D351 PolarHBondContact OG-OD2 3.36Å; E325-D351 PolarHBondContact N-OD1 3.14Å; E325-D351 PolarHBondContact O-N 2.91Å; I327-D351 HydrophobicContact CD1-CB 4.48Å; D351-Q353 PolarHBondContact O-N 2.91Å; D351-M433 HydrophobicContact CB-SD 4.14Å; D351-V434 HydrophobicContact CB-CG2 4.31Å
352	H	97	Very high	96.2	Very high	33 Å²	33	42.5 Å²	42.5	15%	0.153	21%	0.207	C	C	.	.	S	Bend	trans	70.1	-21.2	-178	-55.4	-82.3	0	0	0	117.3	R322 F350 M375 D376 E430 V434	R322-H352 PolarHBondContact O-CD2 3.1Å; F350-H352 PolarHBondContact O-N 2.96Å; H352-M375 PolarHBondContact O-N 3.19Å; H352-D376 IonicContact CG-OD2 2.7Å; H352-D376 IonicContact ND1-OD1 2.75Å; H352-D376 PolarHBondContact ND1-OD1 3.21Å; H352-D376 IonicContact ND1-OD2 3.92Å; H352-D376 PolarHBondContact ND1-OD2 3.23Å; H352-E430 PolarHBondContact N-OE1 3.47Å; H352-V434 VanDerWaalsContact CE1-CG1 3.41Å; H352-V434 WeakPolarHBondContact CE1-CG1 3.21Å
353	Q	98	Very high	95.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	151.2	-175.4	66.6	-169.8	-36.4	0	0	114.6	I319 S323 F350 D351 I373	I319-Q353 PolarHBondContact O-NE2 2.81Å; S323-Q353 WeakPolarHBondContact OG-CG 3.49Å; S323-Q353 PolarHBondContact OG-NE2 2.76Å; F350-Q353 CarbonylContact C-O 3.46Å; F350-Q353 WeakPolarHBondContact CA-O 3.38Å; F350-Q353 HydrophobicContact CB-CG 4.4Å; F350-Q353 WeakPolarHBondContact CB-O 3.46Å; F350-Q353 PolarHBondContact N-O 3.12Å; F350-Q353 PolarHBondContact O-N 3.41Å; D351-Q353 PolarHBondContact O-N 2.91Å; Q353-I373 CarbonylContact C-O 3.54Å; Q353-I373 VanDerWaalsContact CA-O 3.26Å; Q353-I373 WeakPolarHBondContact CA-O 3.49Å
354	M	98.5	Very high	95.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117.9	173.5	-173.7	171.1	60.8	0	0	110.8	F347 F348 L349 R372 I373 M375 L401 F412 W423 F427	F347-M354 HydrophobicContact CB-CG 4.47Å; F347-M354 HydrophobicContact CB-SD 4.17Å; F347-M354 HydrophobicContact CD1-CE 4.03Å; F347-M354 HydrophobicContact CD1-CG 4.39Å; F347-M354 HydrophobicContact CD1-SD 4.06Å; F347-M354 HydrophobicContact CG-SD 4.47Å; F348-M354 CarbonylContact O-C 3.54Å; F348-M354 WeakPolarHBondContact O-CA 2.85Å; L349-M354 HydrophobicContact CB-CG 4.36Å; L349-M354 HydrophobicContact CB-SD 4.49Å; L349-M354 HydrophobicContact CD1-CB 3.91Å; L349-M354 HydrophobicContact CD1-CG 4.25Å; L349-M354 HydrophobicContact CD1-SD 4.32Å; M354-R372 CarbonylContact O-C 3.51Å; M354-R372 WeakPolarHBondContact O-CA 3.37Å; M354-I373 HydrophobicContact CE-CD1 3.86Å; M354-I373 PolarHBondContact N-O 2.92Å; M354-I373 PolarHBondContact O-N 3.4Å; M354-M375 HydrophobicContact CB-CG 4.18Å; M354-M375 HydrophobicContact CB-SD 3.88Å; M354-M375 HydrophobicContact CE-SD 4.47Å; M354-L401 HydrophobicContact CE-CD1 3.86Å; M354-F412 HydrophobicContact CE-CE1 3.97Å; M354-F412 HydrophobicContact CE-CZ 3.95Å; M354-W423 HydrophobicContact SD-CZ3 3.99Å; M354-F427 HydrophobicContact CE-CE1 4.34Å; M354-F427 HydrophobicContact CE-CZ 4.24Å; M354-F427 HydrophobicContact SD-CE1 3.98Å; M354-F427 HydrophobicContact SD-CZ 3.96Å
355	V	98.5	Very high	94.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	141.3	177.2	177.2	0	0	0	0	110	W307 W314 F347 F348 F350 Y369 R372	W307-V355 HydrophobicContact CH2-CB 4.38Å; W307-V355 HydrophobicContact CH2-CG1 4.07Å; W314-V355 HydrophobicContact CH2-CG1 4.33Å; W314-V355 HydrophobicContact CH2-CG2 4.17Å; W314-V355 HydrophobicContact CZ3-CG1 4.16Å; F347-V355 CarbonylContact C-O 3.56Å; F347-V355 WeakPolarHBondContact CA-O 3.38Å; F348-V355 HydrophobicContact CB-CB 4.44Å; F348-V355 PolarHBondContact N-O 2.83Å; F348-V355 PolarHBondContact O-N 3.41Å; F350-V355 HydrophobicContact CD2-CG2 4.39Å; F350-V355 HydrophobicContact CE2-CB 4.4Å; F350-V355 HydrophobicContact CE2-CG2 4.2Å; V355-Y369 HydrophobicContact CG1-CD2 3.93Å; V355-Y369 HydrophobicContact CG1-CE2 3.93Å; V355-R372 HydrophobicContact CG2-CB 4.19Å
356	L	98	Very high	94.4	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.5	174.4	61.1	129.2	0	0	0	112.6	W334 R345 V346 F347 K370 G371 I373	W334-L356 HydrophobicContact CH2-CD1 4.02Å; W334-L356 HydrophobicContact CH2-CD2 4.08Å; W334-L356 HydrophobicContact CZ2-CD1 3.51Å; W334-L356 HydrophobicContact CZ2-CD2 4.41Å; R345-L356 HydrophobicContact CB-CB 4.48Å; R345-L356 HydrophobicContact CG-CD1 4.07Å; V346-L356 WeakPolarHBondContact O-CA 3.23Å; F347-L356 HydrophobicContact CD1-CB 3.71Å; F347-L356 HydrophobicContact CE1-CB 3.63Å; F347-L356 HydrophobicContact CE1-CD2 4.36Å; F347-L356 HydrophobicContact CE1-CG 4.42Å; F347-L356 HydrophobicContact CZ-CB 4.42Å; L356-K370 HydrophobicContact CD1-CB 3.89Å; L356-K370 HydrophobicContact CG-CB 4.48Å; L356-K370 WeakPolarHBondContact O-CB 3.33Å; L356-K370 PolarHBondContact O-N 2.92Å; L356-G371 PolarHBondContact N-O 2.99Å; L356-I373 HydrophobicContact CD2-CG1 4.42Å
357	C	97.6	Very high	94.3	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	156.9	-178.6	-64.6	0	0	0	0	111.8	R345 V346 F348 L367 Y368	R345-C357 WeakPolarHBondContact CA-O 3.47Å; R345-C357 VanDerWaalsContact CD-O 3.29Å; R345-C357 WeakPolarHBondContact CD-O 3.43Å; V346-C357 PolarHBondContact N-O 2.82Å; V346-C357 PolarHBondContact O-N 3.03Å; F348-C357 HydrophobicContact CE2-CB 4.09Å; C357-L367 HydrophobicContact CB-CB 4.04Å; C357-L367 HydrophobicContact CB-CD2 4.12Å; C357-L367 HydrophobicContact CB-CG 4.48Å; C357-Y368 CarbonylContact C-O 3.48Å; C357-Y368 VanDerWaalsContact CA-O 3.23Å; C357-Y368 WeakPolarHBondContact CA-O 3.3Å; C357-Y368 WeakPolarHBondContact CB-O 3.39Å
358	K	97.1	Very high	94.3	Very high	104 Å²	104	53.9 Å²	53.9	45%	0.452	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.8	169.6	-177.9	-175.4	176.2	-169.6	0	109.2	Y368 K370	K358-Y368 PolarHBondContact N-O 3.1Å; K358-Y368 PolarHBondContact O-N 3.18Å; K358-K370 HydrophobicContact CB-CD 4.38Å; K358-K370 HydrophobicContact CB-CG 3.8Å
359	K	94.7	Very high	94.3	Very high	79 Å²	79	54.4 Å²	54.4	34%	0.343	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	140.6	170.7	-76.5	177.9	171.5	176.9	0	110.9	E331 V346 I366 L367	E331-K359 IonicContact OE1-NZ 3.71Å; E331-K359 PolarHBondContact OE1-NZ 2.88Å; V346-K359 HydrophobicContact CG2-CD 3.95Å; V346-K359 HydrophobicContact CG2-CG 3.78Å; K359-I366 WeakPolarHBondContact CA-O 3.41Å; K359-L367 HydrophobicContact CG-CD2 3.61Å
360	D	93.8	Very high	94.3	Very high	39 Å²	39	58.8 Å²	58.8	21%	0.209	27%	0.268	C	S	.	.			trans	-60.6	145.7	167.9	-170.2	-88.5	0	0	0	110.3	I362 R363 I366 Y368	D360-I362 VanDerWaalsContact C-N 3.31Å; D360-I362 PolarHBondContact O-N 3.14Å; D360-I362 PolarHBondContact OD1-N 3.2Å; D360-R363 HydrophobicContact CB-CB 4.22Å; D360-R363 VanDerWaalsContact CB-O 3.32Å; D360-R363 WeakPolarHBondContact CB-O 3.24Å; D360-R363 PolarHBondContact OD1-N 2.83Å; D360-I366 HydrophobicContact CB-CB 3.79Å; D360-I366 HydrophobicContact CB-CG2 4.05Å; D360-I366 PolarHBondContact N-O 3.28Å; D360-Y368 HydrophobicContact CB-CE2 3.71Å; D360-Y368 WeakPolarHBondContact OD2-CE2 3.42Å; D360-Y368 PolarHBondContact OD2-OH 2.68Å
361	L	88.4	Confident	94.3	Very high	168 Å²	168	59.5 Å²	59.5	88%	0.88	28%	0.276	S	S	*	.	S	Bend	trans	-69.3	-33	-174	-171.4	64.7	0	0	0	112
362	I	88.2	Confident	94.5	Very high	153 Å²	153	62.2 Å²	62.2	79%	0.785	29%	0.285	S	S	*	.	S	Bend	trans	-100.1	-48.8	-177.6	-57.2	176.3	0	0	0	109.2	D360 R364	D360-I362 VanDerWaalsContact C-N 3.31Å; D360-I362 PolarHBondContact O-N 3.14Å; D360-I362 PolarHBondContact OD1-N 3.2Å; I362-R364 PolarHBondContact O-N 2.98Å
363	R	89.9	Confident	94.6	Very high	122 Å²	122	61 Å²	61	46%	0.46	28%	0.28	S	S	.	.			trans	-98.3	86	-176.9	-79.9	-168.1	55.6	-171.1	-11.2	112	D360 D365 I366	D360-R363 HydrophobicContact CB-CB 4.22Å; D360-R363 VanDerWaalsContact CB-O 3.32Å; D360-R363 WeakPolarHBondContact CB-O 3.24Å; D360-R363 PolarHBondContact OD1-N 2.83Å; R363-D365 WeakPolarHBondContact CB-OD1 3.36Å; R363-D365 IonicContact CZ-OD2 3.73Å; R363-D365 IonicContact NE-OD1 3.1Å; R363-D365 PolarHBondContact NE-OD1 3.05Å; R363-D365 IonicContact NE-OD2 2.71Å; R363-D365 IonicContact NH2-OD2 3.36Å; R363-D365 PolarHBondContact NH2-OD2 2.92Å; R363-D365 PolarHBondContact O-N 3.4Å; R363-I366 HydrophobicContact CB-CB 4.32Å; R363-I366 HydrophobicContact CB-CD1 3.87Å; R363-I366 HydrophobicContact CB-CG1 3.95Å; R363-I366 HydrophobicContact CG-CD1 4.4Å; R363-I366 PolarHBondContact O-N 2.82Å
364	R	83.9	Confident	94.6	Very high	203 Å²	203	62.5 Å²	62.5	77%	0.766	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-14.4	-176.3	-65.2	-172.9	178.8	-174.6	0.7	115.2	I362	I362-R364 PolarHBondContact O-N 2.98Å
365	D	84.9	Confident	94.5	Very high	113 Å²	113	62.6 Å²	62.6	60%	0.604	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-21.5	173.5	62.2	-55.4	0	0	0	113.8	R363	R363-D365 WeakPolarHBondContact CB-OD1 3.36Å; R363-D365 IonicContact CZ-OD2 3.73Å; R363-D365 IonicContact NE-OD1 3.1Å; R363-D365 PolarHBondContact NE-OD1 3.05Å; R363-D365 IonicContact NE-OD2 2.71Å; R363-D365 IonicContact NH2-OD2 3.36Å; R363-D365 PolarHBondContact NH2-OD2 2.92Å; R363-D365 PolarHBondContact O-N 3.4Å
366	I	91.3	Very high	94.5	Very high	27 Å²	27	65 Å²	65	14%	0.138	30%	0.301	C	S	.	.			trans	-83	132.3	175.5	-66.3	-179.5	0	0	0	110	L312 K359 D360 R363 Y368	L312-I366 HydrophobicContact CD1-CG2 3.56Å; L312-I366 HydrophobicContact CG-CG2 4.21Å; K359-I366 WeakPolarHBondContact CA-O 3.41Å; D360-I366 HydrophobicContact CB-CB 3.79Å; D360-I366 HydrophobicContact CB-CG2 4.05Å; D360-I366 PolarHBondContact N-O 3.28Å; R363-I366 HydrophobicContact CB-CB 4.32Å; R363-I366 HydrophobicContact CB-CD1 3.87Å; R363-I366 HydrophobicContact CB-CG1 3.95Å; R363-I366 HydrophobicContact CG-CD1 4.4Å; R363-I366 PolarHBondContact O-N 2.82Å; I366-Y368 HydrophobicContact CG2-CD2 4.24Å; I366-Y368 HydrophobicContact CG2-CE2 3.76Å
367	L	95.5	Very high	94.5	Very high	16 Å²	16	69.2 Å²	69.2	8%	0.084	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.3	172.9	-64.4	173.9	0	0	0	110.4	V311 L312 V346 F348 C357 K359	V311-L367 HydrophobicContact CG2-CB 4.43Å; L312-L367 PolarHBondContact N-O 2.71Å; V346-L367 HydrophobicContact CG2-CD2 4.11Å; F348-L367 HydrophobicContact CE2-CD1 4.11Å; F348-L367 HydrophobicContact CZ-CD1 3.63Å; C357-L367 HydrophobicContact CB-CB 4.04Å; C357-L367 HydrophobicContact CB-CD2 4.12Å; C357-L367 HydrophobicContact CB-CG 4.48Å; K359-L367 HydrophobicContact CG-CD2 3.61Å
368	Y	97.5	Very high	94.5	Very high	60 Å²	60	69.9 Å²	69.9	24%	0.235	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.8	169.2	-60.1	-89.4	0	0	0	109.4	L312 D313 C357 K358 D360 I366	L312-Y368 HydrophobicContact CB-CD1 3.7Å; L312-Y368 HydrophobicContact CB-CE1 3.99Å; L312-Y368 HydrophobicContact CB-CG 4.49Å; L312-Y368 HydrophobicContact CD1-CD1 4.17Å; L312-Y368 HydrophobicContact CD1-CE1 3.61Å; L312-Y368 HydrophobicContact CG-CE1 4.44Å; D313-Y368 WeakPolarHBondContact OD2-CD1 3.47Å; C357-Y368 CarbonylContact C-O 3.48Å; C357-Y368 VanDerWaalsContact CA-O 3.23Å; C357-Y368 WeakPolarHBondContact CA-O 3.3Å; C357-Y368 WeakPolarHBondContact CB-O 3.39Å; K358-Y368 PolarHBondContact N-O 3.1Å; K358-Y368 PolarHBondContact O-N 3.18Å; D360-Y368 HydrophobicContact CB-CE2 3.71Å; D360-Y368 WeakPolarHBondContact OD2-CE2 3.42Å; D360-Y368 PolarHBondContact OD2-OH 2.68Å; I366-Y368 HydrophobicContact CG2-CD2 4.24Å; I366-Y368 HydrophobicContact CG2-CE2 3.76Å
369	Y	98.3	Very high	94.5	Very high	15 Å²	15	70 Å²	70	6%	0.059	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	139.7	173.5	178.5	-94.1	0	0	0	110.6	L312 D313 W314 E315 V355 G371 R372	L312-Y369 PolarHBondContact O-N 3.41Å; D313-Y369 WeakPolarHBondContact O-CB 3.09Å; W314-Y369 HydrophobicContact CD2-CD2 4.27Å; W314-Y369 AromaticContact CE3-CD2 3.64Å; W314-Y369 HydrophobicContact CE3-CD2 3.64Å; W314-Y369 HydrophobicContact CE3-CE2 4.27Å; W314-Y369 HydrophobicContact CE3-CG 4.25Å; W314-Y369 HydrophobicContact CH2-CD2 4.29Å; W314-Y369 HydrophobicContact CH2-CE2 4.24Å; W314-Y369 AromaticContact CZ3-CD2 3.66Å; W314-Y369 HydrophobicContact CZ3-CD2 3.66Å; W314-Y369 HydrophobicContact CZ3-CE2 4.07Å; E315-Y369 HydrophobicContact CB-CD1 4.05Å; E315-Y369 HydrophobicContact CB-CE1 3.72Å; E315-Y369 HydrophobicContact CG-CD1 4.36Å; E315-Y369 HydrophobicContact CG-CE1 4.43Å; E315-Y369 PolarHBondContact O-OH 2.89Å; V355-Y369 HydrophobicContact CG1-CD2 3.93Å; V355-Y369 HydrophobicContact CG1-CE2 3.93Å; Y369-G371 WeakPolarHBondContact CE2-O 3.29Å; Y369-G371 VanDerWaalsContact CZ-CA 3.49Å; Y369-R372 PolarHBondContact OH-NE 3.19Å
370	K	98.1	Very high	94.6	Very high	92 Å²	92	68.7 Å²	68.7	40%	0.4	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	1.8	179.8	-67.8	-71	152.3	-105.9	0	114	L356 K358	L356-K370 HydrophobicContact CD1-CB 3.89Å; L356-K370 HydrophobicContact CG-CB 4.48Å; L356-K370 WeakPolarHBondContact O-CB 3.33Å; L356-K370 PolarHBondContact O-N 2.92Å; K358-K370 HydrophobicContact CB-CD 4.38Å; K358-K370 HydrophobicContact CB-CG 3.8Å
371	G	97.4	Very high	94.8	Very high	17 Å²	17	69.7 Å²	69.7	18%	0.175	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	137.3	177.8	179	0	0	0	0	0	112.5	L356 Y369	L356-G371 PolarHBondContact N-O 2.99Å; Y369-G371 WeakPolarHBondContact CE2-O 3.29Å; Y369-G371 VanDerWaalsContact CZ-CA 3.49Å
372	R	97.9	Very high	95.2	Very high	61 Å²	61	66 Å²	66	23%	0.23	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154.8	174.8	67.6	-176.7	76.6	-175.3	9.3	110.1	E315 E317 M354 V355 Y369	E315-R372 PolarHBondContact O-NH2 3.42Å; E317-R372 PolarHBondContact O-NH1 2.97Å; E317-R372 PolarHBondContact O-NH2 3.03Å; M354-R372 CarbonylContact O-C 3.51Å; M354-R372 WeakPolarHBondContact O-CA 3.37Å; V355-R372 HydrophobicContact CG2-CB 4.19Å; Y369-R372 PolarHBondContact OH-NE 3.19Å
373	I	98.1	Very high	95.4	Very high	9 Å²	9	60 Å²	60	5%	0.046	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.2	175.9	-58.8	176.7	0	0	0	107.9	W334 Q353 M354 L356 M375 Y378 L401 F412	W334-I373 HydrophobicContact CZ3-CD1 4.08Å; Q353-I373 CarbonylContact C-O 3.54Å; Q353-I373 VanDerWaalsContact CA-O 3.26Å; Q353-I373 WeakPolarHBondContact CA-O 3.49Å; M354-I373 HydrophobicContact CE-CD1 3.86Å; M354-I373 PolarHBondContact N-O 2.92Å; M354-I373 PolarHBondContact O-N 3.4Å; L356-I373 HydrophobicContact CD2-CG1 4.42Å; I373-M375 HydrophobicContact CB-SD 4.5Å; I373-M375 HydrophobicContact CG2-SD 4.09Å; I373-M375 PolarHBondContact O-N 3.37Å; I373-Y378 HydrophobicContact CG2-CD2 3.6Å; I373-Y378 HydrophobicContact CG2-CE2 3.73Å; I373-Y378 HydrophobicContact CG2-CG 4.08Å; I373-L401 HydrophobicContact CD1-CD1 4.12Å; I373-L401 HydrophobicContact CG2-CD1 4.38Å; I373-F412 HydrophobicContact CD1-CZ 3.97Å
374	D	97.9	Very high	95.5	Very high	30 Å²	30	62.4 Å²	62.4	16%	0.16	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	96.7	177.7	-173.9	20.6	0	0	0	110	R322 D376 K377 Y378	R322-D374 IonicContact CZ-OD1 3.53Å; R322-D374 VanDerWaalsContact CZ-OD1 3.29Å; R322-D374 IonicContact NH1-OD1 2.67Å; R322-D374 PolarHBondContact NH1-OD1 3.16Å; R322-D374 IonicContact NH1-OD2 3.9Å; R322-D374 IonicContact NH2-OD1 3.71Å; R322-D374 PolarHBondContact NH2-OD1 2.97Å; D374-D376 PolarHBondContact O-N 3.16Å; D374-D376 VanDerWaalsContact O-N 3.11Å; D374-K377 HydrophobicContact CB-CD 4.46Å; D374-K377 PolarHBondContact O-N 3.33Å; D374-K377 VanDerWaalsContact O-N 3.09Å; D374-K377 WeakPolarHBondContact OD2-CD 3.43Å; D374-K377 VanDerWaalsContact OD2-CE 3.27Å; D374-K377 WeakPolarHBondContact OD2-CE 3.2Å; D374-K377 IonicContact OD2-NZ 2.68Å; D374-K377 PolarHBondContact OD2-NZ 3.42Å; D374-Y378 WeakPolarHBondContact O-CD2 3.43Å
375	M	98.1	Very high	96	Very high	3 Å²	3	57 Å²	57	2%	0.015	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-64.7	-21.3	-168.6	-65.9	-55	-52.6	0	0	113	L349 H352 M354 I373 K377 Y378 L401 F427	L349-M375 HydrophobicContact CD1-CG 3.95Å; L349-M375 HydrophobicContact CD1-SD 4.31Å; H352-M375 PolarHBondContact O-N 3.19Å; M354-M375 HydrophobicContact CB-CG 4.18Å; M354-M375 HydrophobicContact CB-SD 3.88Å; M354-M375 HydrophobicContact CE-SD 4.47Å; I373-M375 HydrophobicContact CB-SD 4.5Å; I373-M375 HydrophobicContact CG2-SD 4.09Å; I373-M375 PolarHBondContact O-N 3.37Å; M375-K377 PolarHBondContact O-N 2.94Å; M375-Y378 PolarHBondContact O-N 2.89Å; M375-L401 HydrophobicContact CE-CD1 4.28Å; M375-L401 HydrophobicContact CE-CD2 4.23Å; M375-L401 HydrophobicContact SD-CD1 4.25Å; M375-F427 HydrophobicContact CE-CD1 3.56Å; M375-F427 HydrophobicContact CE-CE1 3.55Å; M375-F427 HydrophobicContact SD-CE1 4.18Å
376	D	97	Very high	96.4	Very high	49 Å²	49	53.3 Å²	53.3	26%	0.262	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-62	-30.4	176.5	-63.9	-25	0	0	0	112.8	H352 D374 K404 R431	H352-D376 IonicContact CG-OD2 2.7Å; H352-D376 IonicContact ND1-OD1 2.75Å; H352-D376 PolarHBondContact ND1-OD1 3.21Å; H352-D376 IonicContact ND1-OD2 3.92Å; H352-D376 PolarHBondContact ND1-OD2 3.23Å; D374-D376 PolarHBondContact O-N 3.16Å; D374-D376 VanDerWaalsContact O-N 3.11Å; D376-K404 PolarHBondContact O-NZ 3.29Å; D376-R431 IonicContact OD1-CZ 3.57Å; D376-R431 VanDerWaalsContact OD1-CZ 3.26Å; D376-R431 IonicContact OD1-NH1 3.64Å; D376-R431 PolarHBondContact OD1-NH1 2.89Å; D376-R431 IonicContact OD1-NH2 3.68Å; D376-R431 PolarHBondContact OD1-NH2 3.2Å
377	K	97.8	Very high	96.4	Very high	93 Å²	93	60.3 Å²	60.3	40%	0.404	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-91.6	-5.3	-179.1	-64.4	177.9	-179.9	131	0	114	D374 M375 N403 K404	D374-K377 HydrophobicContact CB-CD 4.46Å; D374-K377 PolarHBondContact O-N 3.33Å; D374-K377 VanDerWaalsContact O-N 3.09Å; D374-K377 WeakPolarHBondContact OD2-CD 3.43Å; D374-K377 VanDerWaalsContact OD2-CE 3.27Å; D374-K377 WeakPolarHBondContact OD2-CE 3.2Å; D374-K377 IonicContact OD2-NZ 2.68Å; D374-K377 PolarHBondContact OD2-NZ 3.42Å; M375-K377 PolarHBondContact O-N 2.94Å; K377-N403 CarbonylContact O-C 3.57Å; K377-N403 WeakPolarHBondContact O-CA 3.43Å; K377-K404 WeakPolarHBondContact O-CG 3.33Å; K377-K404 PolarHBondContact O-N 3.43Å
378	Y	98.1	Very high	96.2	Very high	15 Å²	15	59.9 Å²	59.9	6%	0.059	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	149.7	-173.6	-78.4	-93.3	0	0	0	112.6	I373 D374 M375 L401 H402 N403 E408 H410	I373-Y378 HydrophobicContact CG2-CD2 3.6Å; I373-Y378 HydrophobicContact CG2-CE2 3.73Å; I373-Y378 HydrophobicContact CG2-CG 4.08Å; D374-Y378 WeakPolarHBondContact O-CD2 3.43Å; M375-Y378 PolarHBondContact O-N 2.89Å; Y378-L401 HydrophobicContact CD1-CB 3.76Å; Y378-L401 HydrophobicContact CE1-CB 4.47Å; Y378-L401 HydrophobicContact CG-CB 4.43Å; Y378-H402 CarbonylContact C-O 3.57Å; Y378-H402 WeakPolarHBondContact CA-O 3.36Å; Y378-N403 HydrophobicContact CD1-CB 4.21Å; Y378-N403 HydrophobicContact CE1-CB 3.81Å; Y378-E408 VanDerWaalsContact OH-CG 3.3Å; Y378-E408 WeakPolarHBondContact OH-CG 3.35Å; Y378-E408 PolarHBondContact OH-OE1 2.95Å; Y378-E408 PolarHBondContact OH-OE2 2.85Å; Y378-H410 AromaticContact CE1-CD2 3.66Å; Y378-H410 AromaticContact CE1-NE2 3.77Å; Y378-H410 AromaticContact CZ-CD2 3.96Å; Y378-H410 AromaticContact CZ-NE2 3.63Å; Y378-H410 PolarHBondContact OH-NE2 3.06Å; Y378-H410 VanDerWaalsContact OH-NE2 3.15Å
379	E	97.4	Very high	95.7	Very high	106 Å²	106	63.8 Å²	63.8	50%	0.495	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.9	170.7	-66.7	-175.5	164	0	0	110.3	L401 H402 K404	E379-L401 WeakPolarHBondContact O-CA 3.35Å; E379-H402 PolarHBondContact N-O 3.22Å; E379-H402 PolarHBondContact O-N 3.33Å; E379-K404 HydrophobicContact CG-CD 4.07Å; E379-K404 HydrophobicContact CG-CG 3.64Å
380	V	97.9	Very high	95	Very high	52 Å²	52	67.1 Å²	67.1	32%	0.315	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.4	178.2	-170	0	0	0	0	109.4	F399 L401 L424 F427	V380-F399 HydrophobicContact CG1-CD2 4.2Å; V380-L401 HydrophobicContact CB-CD2 4.23Å; V380-L401 HydrophobicContact CG1-CD2 4.38Å; V380-L401 HydrophobicContact CG2-CD2 3.66Å; V380-L424 HydrophobicContact CG1-CD2 3.58Å; V380-F427 HydrophobicContact CG1-CD2 4.08Å; V380-F427 HydrophobicContact CG2-CB 3.58Å; V380-F427 HydrophobicContact CG2-CD1 4.08Å; V380-F427 HydrophobicContact CG2-CD2 3.91Å; V380-F427 HydrophobicContact CG2-CG 3.61Å
381	V	96.6	Very high	94.5	Very high	60 Å²	60	63 Å²	63	36%	0.364	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114.2	175.6	-172.3	0	0	0	0	108.2	I383 K400 H402	V381-I383 HydrophobicContact CB-CD1 4.45Å; V381-I383 HydrophobicContact CG1-CD1 3.7Å; V381-K400 HydrophobicContact CB-CB 4.26Å; V381-K400 PolarHBondContact N-O 3.11Å; V381-K400 PolarHBondContact O-N 2.7Å; V381-H402 HydrophobicContact CG2-CB 4.18Å
382	D	96.4	Very high	94.1	Very high	89 Å²	89	66.2 Å²	66.2	48%	0.476	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	131.5	173	-168.5	3	0	0	0	109.6	K420 L424	D382-K420 WeakPolarHBondContact OD1-CE 3.38Å; D382-K420 IonicContact OD1-NZ 2.9Å; D382-K420 PolarHBondContact OD1-NZ 2.64Å; D382-L424 HydrophobicContact CB-CD1 4.28Å; D382-L424 HydrophobicContact CB-CD2 4.45Å; D382-L424 WeakPolarHBondContact OD2-CD1 3.49Å
383	I	93.5	Very high	93.8	Very high	29 Å²	29	65.5 Å²	65.5	15%	0.149	34%	0.336	C	S	.	.			trans	-122.2	132.5	-174.2	-56.4	-64.1	0	0	0	110.1	V381 M395 K400 K420	V381-I383 HydrophobicContact CB-CD1 4.45Å; V381-I383 HydrophobicContact CG1-CD1 3.7Å; I383-M395 HydrophobicContact CB-SD 4.5Å; I383-M395 HydrophobicContact CG2-CE 3.22Å; I383-M395 HydrophobicContact CG2-SD 3.6Å; I383-M395 VanDerWaalsContact CG2-SD 3.6Å; I383-K400 HydrophobicContact CD1-CD 3.97Å; I383-K400 HydrophobicContact CD1-CG 4.41Å; I383-K400 HydrophobicContact CG1-CB 4.36Å; I383-K400 HydrophobicContact CG1-CD 4.01Å; I383-K400 HydrophobicContact CG1-CG 3.95Å; I383-K420 PolarHBondContact O-NZ 3.4Å
384	E	91.9	Very high	93.5	Very high	172 Å²	172	69.9 Å²	69.9	80%	0.804	37%	0.368	S	S	*	.			trans	-71.7	153.6	176.3	-63.1	-173.9	172.2	0	0	112.1
385	D	94.1	Very high	93.2	Very high	88 Å²	88	68.9 Å²	68.9	47%	0.471	36%	0.362	S	S	.	.	S	Bend	trans	-63.6	137.2	175.1	-76.1	0.5	0	0	0	110.2	K396 N397	D385-K396 WeakPolarHBondContact OD1-CA 3.27Å; D385-K396 WeakPolarHBondContact OD2-CG 3.23Å; D385-N397 PolarHBondContact OD1-N 2.95Å
386	G	93.1	Very high	93.1	Very high	37 Å²	37	75.5 Å²	75.5	38%	0.381	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	158.3	-135.1	-175.1	0	0	0	0	0	113.2	S394 M395	G386-S394 CarbonylContact O-C 3.58Å; G386-S394 WeakPolarHBondContact O-CA 3.35Å; G386-S394 PolarHBondContact O-OG 3.25Å; G386-M395 PolarHBondContact N-O 3.42Å; G386-M395 PolarHBondContact O-N 3.43Å
387	R	91.8	Very high	93	Very high	173 Å²	173	73.9 Å²	73.9	65%	0.653	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	134.6	174.8	-172.7	177.8	-173.1	167	0.9	108.9	N392	R387-N392 PolarHBondContact NE-OD1 3.18Å; R387-N392 PolarHBondContact NH2-OD1 3.25Å
388	D	91.2	Very high	93	Very high	7 Å²	7	69.5 Å²	69.5	4%	0.037	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.5	175.6	-157.4	-103.6	0	0	0	110.2	D390 F391 N392 V393 M395 K400	D388-D390 WeakPolarHBondContact OD1-CB 3.41Å; D388-D390 PolarHBondContact OD1-N 3.49Å; D388-F391 HydrophobicContact CB-CB 4.37Å; D388-F391 WeakPolarHBondContact OD1-CD2 3.46Å; D388-F391 PolarHBondContact OD1-N 2.91Å; D388-N392 WeakPolarHBondContact O-CA 3.41Å; D388-N392 PolarHBondContact O-N 2.91Å; D388-V393 HydrophobicContact CB-CG2 4.25Å; D388-V393 PolarHBondContact N-O 3.45Å; D388-V393 PolarHBondContact O-N 2.77Å; D388-M395 HydrophobicContact CB-CE 3.45Å; D388-M395 VanDerWaalsContact CB-CE 3.45Å; D388-M395 HydrophobicContact CB-CG 3.98Å; D388-M395 HydrophobicContact CB-SD 3.53Å; D388-M395 VanDerWaalsContact CB-SD 3.53Å; D388-M395 VanDerWaalsContact OD2-CE 3.24Å; D388-M395 WeakPolarHBondContact OD2-CE 3.24Å; D388-K400 WeakPolarHBondContact OD1-CE 3.31Å; D388-K400 IonicContact OD1-NZ 2.91Å; D388-K400 PolarHBondContact OD1-NZ 3.3Å; D388-K400 WeakPolarHBondContact OD2-CE 3.36Å; D388-K400 IonicContact OD2-NZ 2.65Å; D388-K400 PolarHBondContact OD2-NZ 3.41Å
389	D	85.9	Confident	93	Very high	142 Å²	142	68.8 Å²	68.8	76%	0.759	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-37.8	178.3	-67.2	-39.5	0	0	0	111.9
390	D	83.6	Confident	93	Very high	86 Å²	86	64.2 Å²	64.2	46%	0.46	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-43.6	-177.7	-54.2	-39.6	0	0	0	111.6	D388 K400	D388-D390 WeakPolarHBondContact OD1-CB 3.41Å; D388-D390 PolarHBondContact OD1-N 3.49Å; D390-K400 IonicContact OD2-NZ 2.66Å; D390-K400 PolarHBondContact OD2-NZ 3.06Å
391	F	88.3	Confident	93	Very high	5 Å²	5	61.7 Å²	61.7	2%	0.022	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-12.2	-179	-72.8	-101.5	0	0	0	113	I335 Q337 P338 D388 V393 I409 L411	I335-F391 HydrophobicContact CB-CD1 4.21Å; I335-F391 HydrophobicContact CB-CE1 4.09Å; I335-F391 HydrophobicContact CG2-CD1 3.82Å; I335-F391 HydrophobicContact CG2-CE1 3.76Å; Q337-F391 VanDerWaalsContact C-CE1 3.47Å; P338-F391 HydrophobicContact CG-CE1 4.29Å; P338-F391 HydrophobicContact CG-CE2 4.44Å; P338-F391 HydrophobicContact CG-CZ 4.22Å; D388-F391 HydrophobicContact CB-CB 4.37Å; D388-F391 WeakPolarHBondContact OD1-CD2 3.46Å; D388-F391 PolarHBondContact OD1-N 2.91Å; F391-V393 VanDerWaalsContact C-N 3.26Å; F391-V393 HydrophobicContact CB-CG2 3.69Å; F391-V393 PolarHBondContact O-N 2.89Å; F391-I409 HydrophobicContact CE2-CD1 4.42Å; F391-I409 HydrophobicContact CE2-CG1 4.23Å; F391-I409 HydrophobicContact CE2-CG2 3.84Å; F391-I409 HydrophobicContact CZ-CG2 3.89Å; F391-L411 HydrophobicContact CB-CD2 3.92Å; F391-L411 HydrophobicContact CD1-CB 4.1Å; F391-L411 HydrophobicContact CD1-CD2 4.1Å; F391-L411 HydrophobicContact CD2-CB 4.14Å; F391-L411 HydrophobicContact CD2-CD2 3.96Å; F391-L411 HydrophobicContact CE1-CB 3.81Å; F391-L411 HydrophobicContact CE2-CB 3.88Å; F391-L411 HydrophobicContact CG-CB 4.26Å; F391-L411 HydrophobicContact CG-CD2 3.73Å; F391-L411 HydrophobicContact CZ-CB 3.7Å
392	N	89.4	Confident	93	Very high	85 Å²	85	62.4 Å²	62.4	46%	0.455	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	40.3	-174.9	-167.2	22.4	0	0	0	113.1	Y339 R387 D388	Y339-N392 HydrophobicContact CE1-CB 4.47Å; R387-N392 PolarHBondContact NE-OD1 3.18Å; R387-N392 PolarHBondContact NH2-OD1 3.25Å; D388-N392 WeakPolarHBondContact O-CA 3.41Å; D388-N392 PolarHBondContact O-N 2.91Å
393	V	91	Very high	93.1	Very high	45 Å²	45	58.6 Å²	58.6	27%	0.273	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	151.4	-179	-66.1	0	0	0	0	111.4	I335 D388 F391 M395 L411 F413	I335-V393 HydrophobicContact CD1-CG1 4.45Å; D388-V393 HydrophobicContact CB-CG2 4.25Å; D388-V393 PolarHBondContact N-O 3.45Å; D388-V393 PolarHBondContact O-N 2.77Å; F391-V393 VanDerWaalsContact C-N 3.26Å; F391-V393 HydrophobicContact CB-CG2 3.69Å; F391-V393 PolarHBondContact O-N 2.89Å; V393-M395 HydrophobicContact CG2-CG 4.46Å; V393-L411 HydrophobicContact CG2-CD2 3.69Å; V393-F413 HydrophobicContact CG2-CZ 4.19Å
394	S	91.7	Very high	93.2	Very high	102 Å²	102	62 Å²	62	71%	0.713	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	136.7	168.6	-178.2	0	0	0	0	110.1	G386	G386-S394 CarbonylContact O-C 3.58Å; G386-S394 WeakPolarHBondContact O-CA 3.35Å; G386-S394 PolarHBondContact O-OG 3.25Å
395	M	93	Very high	93.3	Very high	8 Å²	8	61.7 Å²	61.7	4%	0.039	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.3	-176.5	-66.3	-174.6	-65	0	0	111.4	I383 G386 D388 V393 A398 L411 F413	I383-M395 HydrophobicContact CB-SD 4.5Å; I383-M395 HydrophobicContact CG2-CE 3.22Å; I383-M395 HydrophobicContact CG2-SD 3.6Å; I383-M395 VanDerWaalsContact CG2-SD 3.6Å; G386-M395 PolarHBondContact N-O 3.42Å; G386-M395 PolarHBondContact O-N 3.43Å; D388-M395 HydrophobicContact CB-CE 3.45Å; D388-M395 VanDerWaalsContact CB-CE 3.45Å; D388-M395 HydrophobicContact CB-CG 3.98Å; D388-M395 HydrophobicContact CB-SD 3.53Å; D388-M395 VanDerWaalsContact CB-SD 3.53Å; D388-M395 VanDerWaalsContact OD2-CE 3.24Å; D388-M395 WeakPolarHBondContact OD2-CE 3.24Å; V393-M395 HydrophobicContact CG2-CG 4.46Å; M395-A398 HydrophobicContact CB-CB 3.89Å; M395-A398 HydrophobicContact CG-CB 4.1Å; M395-A398 HydrophobicContact SD-CB 4.05Å; M395-L411 HydrophobicContact CG-CD2 4.48Å; M395-L411 HydrophobicContact SD-CD1 3.88Å; M395-L411 HydrophobicContact SD-CD2 4.33Å; M395-F413 HydrophobicContact CB-CE1 4.42Å; M395-F413 HydrophobicContact CG-CE1 4.04Å
396	K	94.5	Very high	93.4	Very high	143 Å²	143	60.7 Å²	60.7	62%	0.622	31%	0.312	S	S	*	.	S	Bend	trans	-140.8	131.7	167.1	-169.2	174.4	-174.9	174.7	0	108.5	D385 A398	D385-K396 WeakPolarHBondContact OD1-CA 3.27Å; D385-K396 WeakPolarHBondContact OD2-CG 3.23Å; K396-A398 VanDerWaalsContact C-N 3.25Å; K396-A398 PolarHBondContact O-N 3.18Å
397	N	96.3	Very high	93.4	Very high	15 Å²	15	67.9 Å²	67.9	8%	0.08	34%	0.336	C	S	.	.	S	Bend	trans	52.5	42.9	-176.4	-53.7	-46.6	0	0	0	112.6	D385 A414 K415 L417 K420	D385-N397 PolarHBondContact OD1-N 2.95Å; N397-A414 HydrophobicContact CB-CB 4.29Å; N397-A414 WeakPolarHBondContact CB-O 3.42Å; N397-A414 PolarHBondContact O-N 3.09Å; N397-K415 PolarHBondContact ND2-O 2.99Å; N397-L417 WeakPolarHBondContact OD1-CA 3.46Å; N397-L417 PolarHBondContact OD1-N 3Å; N397-K420 HydrophobicContact CB-CB 4.41Å
398	A	97.3	Very high	93.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	158.3	-175.7	0	0	0	0	0	113.3	M395 K396 L411 F412 F413 K420	M395-A398 HydrophobicContact CB-CB 3.89Å; M395-A398 HydrophobicContact CG-CB 4.1Å; M395-A398 HydrophobicContact SD-CB 4.05Å; K396-A398 VanDerWaalsContact C-N 3.25Å; K396-A398 PolarHBondContact O-N 3.18Å; A398-L411 HydrophobicContact CB-CD1 4.29Å; A398-F412 WeakPolarHBondContact CA-O 3.31Å; A398-F412 VanDerWaalsContact CB-O 3.31Å; A398-F412 WeakPolarHBondContact CB-O 3.39Å; A398-F413 HydrophobicContact CB-CD1 3.84Å; A398-F413 HydrophobicContact CB-CE1 4.05Å; A398-K420 WeakPolarHBondContact O-CE 3.37Å; A398-K420 PolarHBondContact O-NZ 3.41Å
399	F	97.8	Very high	93.8	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	163.9	168	64.2	-90.4	0	0	0	109.3	M332 V380 F412 K420 W423 L424 F427	M332-F399 HydrophobicContact CE-CZ 4.12Å; M332-F399 HydrophobicContact SD-CE1 3.76Å; M332-F399 HydrophobicContact SD-CZ 3.68Å; V380-F399 HydrophobicContact CG1-CD2 4.2Å; F399-F412 HydrophobicContact CD1-CB 4.19Å; F399-F412 HydrophobicContact CD2-CB 4.09Å; F399-F412 HydrophobicContact CD2-CD2 4.22Å; F399-F412 HydrophobicContact CD2-CG 4.39Å; F399-F412 HydrophobicContact CE1-CB 3.78Å; F399-F412 HydrophobicContact CE2-CB 3.65Å; F399-F412 HydrophobicContact CE2-CD1 4.44Å; F399-F412 AromaticContact CE2-CD2 3.78Å; F399-F412 HydrophobicContact CE2-CD2 3.78Å; F399-F412 AromaticContact CE2-CG 3.71Å; F399-F412 HydrophobicContact CE2-CG 3.71Å; F399-F412 HydrophobicContact CG-CB 4.34Å; F399-F412 HydrophobicContact CZ-CB 3.49Å; F399-F412 VanDerWaalsContact CZ-CB 3.49Å; F399-F412 HydrophobicContact CZ-CD1 4.33Å; F399-F412 HydrophobicContact CZ-CD2 4.39Å; F399-F412 AromaticContact CZ-CG 3.84Å; F399-F412 HydrophobicContact CZ-CG 3.84Å; F399-F412 PolarHBondContact N-O 3.35Å; F399-F412 VanDerWaalsContact N-O 3.12Å; F399-F412 PolarHBondContact O-N 3.44Å; F399-K420 HydrophobicContact CD1-CG 4.41Å; F399-W423 HydrophobicContact CE1-CB 3.96Å; F399-W423 HydrophobicContact CE1-CG 4.37Å; F399-W423 HydrophobicContact CZ-CB 4.13Å; F399-W423 HydrophobicContact CZ-CG 4.41Å; F399-L424 HydrophobicContact CB-CD2 4.14Å; F399-L424 HydrophobicContact CG-CD2 4.28Å; F399-F427 HydrophobicContact CD2-CE2 4.31Å; F399-F427 HydrophobicContact CE2-CD2 4.43Å; F399-F427 AromaticContact CE2-CE2 3.45Å; F399-F427 HydrophobicContact CE2-CE2 3.45Å; F399-F427 VanDerWaalsContact CE2-CE2 3.45Å; F399-F427 AromaticContact CE2-CZ 3.99Å; F399-F427 HydrophobicContact CE2-CZ 3.99Å; F399-F427 AromaticContact CZ-CE2 3.7Å; F399-F427 HydrophobicContact CZ-CE2 3.7Å; F399-F427 HydrophobicContact CZ-CZ 4.3Å
400	K	97.6	Very high	94.3	Very high	10 Å²	10	57.2 Å²	57.2	4%	0.043	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	152	-179.4	-71.6	173.5	175.8	177.5	0	111.8	V381 I383 D388 D390 I409 H410 L411	V381-K400 HydrophobicContact CB-CB 4.26Å; V381-K400 PolarHBondContact N-O 3.11Å; V381-K400 PolarHBondContact O-N 2.7Å; I383-K400 HydrophobicContact CD1-CD 3.97Å; I383-K400 HydrophobicContact CD1-CG 4.41Å; I383-K400 HydrophobicContact CG1-CB 4.36Å; I383-K400 HydrophobicContact CG1-CD 4.01Å; I383-K400 HydrophobicContact CG1-CG 3.95Å; D388-K400 WeakPolarHBondContact OD1-CE 3.31Å; D388-K400 IonicContact OD1-NZ 2.91Å; D388-K400 PolarHBondContact OD1-NZ 3.3Å; D388-K400 WeakPolarHBondContact OD2-CE 3.36Å; D388-K400 IonicContact OD2-NZ 2.65Å; D388-K400 PolarHBondContact OD2-NZ 3.41Å; D390-K400 IonicContact OD2-NZ 2.66Å; D390-K400 PolarHBondContact OD2-NZ 3.06Å; K400-I409 HydrophobicContact CB-CG1 4.48Å; K400-I409 HydrophobicContact CD-CD1 3.75Å; K400-I409 HydrophobicContact CD-CG1 4.23Å; K400-H410 CarbonylContact C-O 3.51Å; K400-H410 VanDerWaalsContact CA-O 3.23Å; K400-H410 WeakPolarHBondContact CA-O 3.29Å; K400-L411 HydrophobicContact CD-CD1 4.31Å; K400-L411 HydrophobicContact CG-CD1 3.5Å; K400-L411 VanDerWaalsContact CG-CD1 3.5Å
401	L	98.1	Very high	95	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.3	159.8	-63.4	-177	0	0	0	108.2	M354 I373 M375 Y378 E379 V380 I409 H410 F412 F427	M354-L401 HydrophobicContact CE-CD1 3.86Å; I373-L401 HydrophobicContact CD1-CD1 4.12Å; I373-L401 HydrophobicContact CG2-CD1 4.38Å; M375-L401 HydrophobicContact CE-CD1 4.28Å; M375-L401 HydrophobicContact CE-CD2 4.23Å; M375-L401 HydrophobicContact SD-CD1 4.25Å; Y378-L401 HydrophobicContact CD1-CB 3.76Å; Y378-L401 HydrophobicContact CE1-CB 4.47Å; Y378-L401 HydrophobicContact CG-CB 4.43Å; E379-L401 WeakPolarHBondContact O-CA 3.35Å; V380-L401 HydrophobicContact CB-CD2 4.23Å; V380-L401 HydrophobicContact CG1-CD2 4.38Å; V380-L401 HydrophobicContact CG2-CD2 3.66Å; L401-I409 WeakPolarHBondContact O-CA 3.28Å; L401-H410 HydrophobicContact CB-CB 4.42Å; L401-H410 PolarHBondContact N-O 3.5Å; L401-H410 PolarHBondContact O-N 2.89Å; L401-F412 HydrophobicContact CB-CE2 4Å; L401-F412 HydrophobicContact CD1-CE2 3.63Å; L401-F412 HydrophobicContact CD1-CZ 3.73Å; L401-F412 HydrophobicContact CG-CD2 4.21Å; L401-F412 HydrophobicContact CG-CE2 3.53Å; L401-F412 HydrophobicContact CG-CZ 4.18Å; L401-F427 HydrophobicContact CD2-CE1 4.5Å; L401-F427 HydrophobicContact CD2-CZ 4.42Å
402	H	97.4	Very high	95.5	Very high	74 Å²	74	52.9 Å²	52.9	34%	0.343	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.9	178.1	-176.7	-119.3	0	0	0	109.5	Y378 E379 V381	Y378-H402 CarbonylContact C-O 3.57Å; Y378-H402 WeakPolarHBondContact CA-O 3.36Å; E379-H402 PolarHBondContact N-O 3.22Å; E379-H402 PolarHBondContact O-N 3.33Å; V381-H402 HydrophobicContact CG2-CB 4.18Å
403	N	97.5	Very high	95.9	Very high	9 Å²	9	50.1 Å²	50.1	5%	0.048	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	140.2	176.5	-168.1	-61.2	0	0	0	110.1	K377 Y378 E405 T406 E408	K377-N403 CarbonylContact O-C 3.57Å; K377-N403 WeakPolarHBondContact O-CA 3.43Å; Y378-N403 HydrophobicContact CD1-CB 4.21Å; Y378-N403 HydrophobicContact CE1-CB 3.81Å; N403-E405 PolarHBondContact OD1-N 3.39Å; N403-T406 WeakPolarHBondContact CB-OG1 3.34Å; N403-T406 PolarHBondContact ND2-OG1 3.04Å; N403-T406 PolarHBondContact OD1-N 2.73Å; N403-T406 PolarHBondContact OD1-OG1 3.11Å; N403-E408 HydrophobicContact CB-CB 4Å; N403-E408 WeakPolarHBondContact CB-O 3.26Å; N403-E408 PolarHBondContact N-O 2.82Å
404	K	95.6	Very high	96.1	Very high	102 Å²	102	48.3 Å²	48.3	44%	0.443	24%	0.24	S	C	.	.	S	Bend	trans	-73.6	-28.8	-178.4	-67.6	172.5	-176.3	166.2	0	113	D376 K377 E379	D376-K404 PolarHBondContact O-NZ 3.29Å; K377-K404 WeakPolarHBondContact O-CG 3.33Å; K377-K404 PolarHBondContact O-N 3.43Å; E379-K404 HydrophobicContact CG-CD 4.07Å; E379-K404 HydrophobicContact CG-CG 3.64Å
405	E	95.1	Very high	96.2	Very high	165 Å²	165	49.5 Å²	49.5	77%	0.771	23%	0.232	S	C	*	.	S	Bend	trans	-111.4	-23.6	-171.6	-62	-179.3	176.8	0	0	112.6	N403	N403-E405 PolarHBondContact OD1-N 3.39Å
406	T	95.4	Very high	96.3	Very high	67 Å²	67	54.5 Å²	54.5	41%	0.411	25%	0.253	S	S	.	.	S	Bend	trans	-121.8	165.8	-178	73.8	0	0	0	0	111.3	N403 E408	N403-T406 WeakPolarHBondContact CB-OG1 3.34Å; N403-T406 PolarHBondContact ND2-OG1 3.04Å; N403-T406 PolarHBondContact OD1-N 2.73Å; N403-T406 PolarHBondContact OD1-OG1 3.11Å; T406-E408 PolarHBondContact O-N 3.41Å; T406-E408 VanDerWaalsContact OG1-CB 3.29Å; T406-E408 WeakPolarHBondContact OG1-CB 3.38Å; T406-E408 PolarHBondContact OG1-N 2.89Å
407	E	92.4	Very high	96.3	Very high	188 Å²	188	51.9 Å²	51.9	88%	0.879	25%	0.246	S	C	*	.	S	Bend	trans	-78.6	14.7	173.2	-59.7	179.6	172.7	0	0	112.6	I409	E407-I409 PolarHBondContact O-N 2.79Å
408	E	95.1	Very high	96.2	Very high	67 Å²	67	55.7 Å²	55.7	31%	0.313	26%	0.263	S	S	.	.			trans	-71.5	127.1	-178.8	-167.4	173.9	-170	0	0	110.4	Y336 Y378 N403 T406 H410	Y336-E408 PolarHBondContact OH-OE1 2.6Å; Y378-E408 VanDerWaalsContact OH-CG 3.3Å; Y378-E408 WeakPolarHBondContact OH-CG 3.35Å; Y378-E408 PolarHBondContact OH-OE1 2.95Å; Y378-E408 PolarHBondContact OH-OE2 2.85Å; N403-E408 HydrophobicContact CB-CB 4Å; N403-E408 WeakPolarHBondContact CB-O 3.26Å; N403-E408 PolarHBondContact N-O 2.82Å; T406-E408 PolarHBondContact O-N 3.41Å; T406-E408 VanDerWaalsContact OG1-CB 3.29Å; T406-E408 WeakPolarHBondContact OG1-CB 3.38Å; T406-E408 PolarHBondContact OG1-N 2.89Å; E408-H410 IonicContact OE1-CE1 3.23Å; E408-H410 PolarHBondContact OE1-CE1 3.01Å; E408-H410 VanDerWaalsContact OE1-CE1 3.23Å; E408-H410 IonicContact OE1-NE2 3.59Å
409	I	96.1	Very high	96	Very high	28 Å²	28	58.1 Å²	58.1	14%	0.144	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	135.5	-175.5	-163.4	169.1	0	0	0	111	Y336 P338 F391 K400 L401 E407	Y336-I409 VanDerWaalsContact O-O 3.14Å; P338-I409 HydrophobicContact CG-CG2 4.13Å; F391-I409 HydrophobicContact CE2-CD1 4.42Å; F391-I409 HydrophobicContact CE2-CG1 4.23Å; F391-I409 HydrophobicContact CE2-CG2 3.84Å; F391-I409 HydrophobicContact CZ-CG2 3.89Å; K400-I409 HydrophobicContact CB-CG1 4.48Å; K400-I409 HydrophobicContact CD-CD1 3.75Å; K400-I409 HydrophobicContact CD-CG1 4.23Å; L401-I409 WeakPolarHBondContact O-CA 3.28Å; E407-I409 PolarHBondContact O-N 2.79Å
410	H	97.4	Very high	96	Very high	3 Å²	3	58.9 Å²	58.9	1%	0.014	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.9	-178.6	-55	-39	0	0	0	110.1	Y336 Y378 K400 L401 E408 F412	Y336-H410 AromaticContact CD2-CE1 3.51Å; Y336-H410 AromaticContact CD2-ND1 3.73Å; Y336-H410 AromaticContact CE2-CE1 3.24Å; Y336-H410 WeakPolarHBondContact CE2-CE1 3.38Å; Y336-H410 AromaticContact CE2-ND1 3.94Å; Y336-H410 AromaticContact CE2-NE2 3.92Å; Y336-H410 PolarHBondContact O-CE1 2.85Å; Y336-H410 PolarHBondContact O-ND1 3.25Å; Y378-H410 AromaticContact CE1-CD2 3.66Å; Y378-H410 AromaticContact CE1-NE2 3.77Å; Y378-H410 AromaticContact CZ-CD2 3.96Å; Y378-H410 AromaticContact CZ-NE2 3.63Å; Y378-H410 PolarHBondContact OH-NE2 3.06Å; Y378-H410 VanDerWaalsContact OH-NE2 3.15Å; K400-H410 CarbonylContact C-O 3.51Å; K400-H410 VanDerWaalsContact CA-O 3.23Å; K400-H410 WeakPolarHBondContact CA-O 3.29Å; L401-H410 HydrophobicContact CB-CB 4.42Å; L401-H410 PolarHBondContact N-O 3.5Å; L401-H410 PolarHBondContact O-N 2.89Å; E408-H410 IonicContact OE1-CE1 3.23Å; E408-H410 PolarHBondContact OE1-CE1 3.01Å; E408-H410 VanDerWaalsContact OE1-CE1 3.23Å; E408-H410 IonicContact OE1-NE2 3.59Å; H410-F412 HydrophobicContact CB-CD2 4.49Å; H410-F412 HydrophobicContact CB-CE2 3.61Å; H410-F412 HydrophobicContact CB-CZ 4.14Å
411	L	97.7	Very high	95.9	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.8	-178.3	-176	62.7	0	0	0	111	W334 I335 F391 V393 M395 A398 K400 F413	W334-L411 CarbonylContact C-O 3.56Å; W334-L411 WeakPolarHBondContact CA-O 3.24Å; W334-L411 WeakPolarHBondContact CB-O 3.41Å; I335-L411 HydrophobicContact CB-CB 4.47Å; I335-L411 PolarHBondContact N-O 2.94Å; I335-L411 PolarHBondContact O-N 3.1Å; F391-L411 HydrophobicContact CB-CD2 3.92Å; F391-L411 HydrophobicContact CD1-CB 4.1Å; F391-L411 HydrophobicContact CD1-CD2 4.1Å; F391-L411 HydrophobicContact CD2-CB 4.14Å; F391-L411 HydrophobicContact CD2-CD2 3.96Å; F391-L411 HydrophobicContact CE1-CB 3.81Å; F391-L411 HydrophobicContact CE2-CB 3.88Å; F391-L411 HydrophobicContact CG-CB 4.26Å; F391-L411 HydrophobicContact CG-CD2 3.73Å; F391-L411 HydrophobicContact CZ-CB 3.7Å; V393-L411 HydrophobicContact CG2-CD2 3.69Å; M395-L411 HydrophobicContact CG-CD2 4.48Å; M395-L411 HydrophobicContact SD-CD1 3.88Å; M395-L411 HydrophobicContact SD-CD2 4.33Å; A398-L411 HydrophobicContact CB-CD1 4.29Å; K400-L411 HydrophobicContact CD-CD1 4.31Å; K400-L411 HydrophobicContact CG-CD1 3.5Å; K400-L411 VanDerWaalsContact CG-CD1 3.5Å; L411-F413 HydrophobicContact CB-CE2 4.49Å; L411-F413 HydrophobicContact CD2-CE1 4.22Å; L411-F413 HydrophobicContact CD2-CE2 3.84Å; L411-F413 HydrophobicContact CD2-CZ 3.36Å; L411-F413 HydrophobicContact CG-CE1 4.4Å; L411-F413 HydrophobicContact CG-CE2 3.72Å; L411-F413 HydrophobicContact CG-CZ 3.64Å
412	F	98.3	Very high	95.7	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.6	-176.7	-63.6	-97.9	0	0	0	111.1	M332 W334 F347 M354 I373 A398 F399 L401 H410	M332-F412 HydrophobicContact CE-CD1 3.89Å; M332-F412 HydrophobicContact CE-CE1 4.47Å; M332-F412 HydrophobicContact SD-CB 4.43Å; M332-F412 HydrophobicContact SD-CD1 4.45Å; W334-F412 HydrophobicContact CB-CD1 3.91Å; W334-F412 HydrophobicContact CB-CE1 4.14Å; W334-F412 HydrophobicContact CB-CG 4.47Å; W334-F412 AromaticContact CE3-CE1 3.94Å; W334-F412 HydrophobicContact CE3-CE1 3.94Å; W334-F412 AromaticContact CE3-CZ 3.87Å; W334-F412 HydrophobicContact CE3-CZ 3.87Å; W334-F412 HydrophobicContact CZ3-CZ 4.46Å; F347-F412 HydrophobicContact CD1-CE1 4.19Å; F347-F412 HydrophobicContact CE1-CD1 4.31Å; F347-F412 AromaticContact CE1-CE1 3.57Å; F347-F412 HydrophobicContact CE1-CE1 3.57Å; F347-F412 HydrophobicContact CE2-CD1 4.49Å; F347-F412 HydrophobicContact CZ-CD1 4.09Å; F347-F412 AromaticContact CZ-CE1 3.75Å; F347-F412 HydrophobicContact CZ-CE1 3.75Å; M354-F412 HydrophobicContact CE-CE1 3.97Å; M354-F412 HydrophobicContact CE-CZ 3.95Å; I373-F412 HydrophobicContact CD1-CZ 3.97Å; A398-F412 WeakPolarHBondContact CA-O 3.31Å; A398-F412 VanDerWaalsContact CB-O 3.31Å; A398-F412 WeakPolarHBondContact CB-O 3.39Å; F399-F412 HydrophobicContact CD1-CB 4.19Å; F399-F412 HydrophobicContact CD2-CB 4.09Å; F399-F412 HydrophobicContact CD2-CD2 4.22Å; F399-F412 HydrophobicContact CD2-CG 4.39Å; F399-F412 HydrophobicContact CE1-CB 3.78Å; F399-F412 HydrophobicContact CE2-CB 3.65Å; F399-F412 HydrophobicContact CE2-CD1 4.44Å; F399-F412 AromaticContact CE2-CD2 3.78Å; F399-F412 HydrophobicContact CE2-CD2 3.78Å; F399-F412 AromaticContact CE2-CG 3.71Å; F399-F412 HydrophobicContact CE2-CG 3.71Å; F399-F412 HydrophobicContact CG-CB 4.34Å; F399-F412 HydrophobicContact CZ-CB 3.49Å; F399-F412 VanDerWaalsContact CZ-CB 3.49Å; F399-F412 HydrophobicContact CZ-CD1 4.33Å; F399-F412 HydrophobicContact CZ-CD2 4.39Å; F399-F412 AromaticContact CZ-CG 3.84Å; F399-F412 HydrophobicContact CZ-CG 3.84Å; F399-F412 PolarHBondContact N-O 3.35Å; F399-F412 VanDerWaalsContact N-O 3.12Å; F399-F412 PolarHBondContact O-N 3.44Å; L401-F412 HydrophobicContact CB-CE2 4Å; L401-F412 HydrophobicContact CD1-CE2 3.63Å; L401-F412 HydrophobicContact CD1-CZ 3.73Å; L401-F412 HydrophobicContact CG-CD2 4.21Å; L401-F412 HydrophobicContact CG-CE2 3.53Å; L401-F412 HydrophobicContact CG-CZ 4.18Å; H410-F412 HydrophobicContact CB-CD2 4.49Å; H410-F412 HydrophobicContact CB-CE2 3.61Å; H410-F412 HydrophobicContact CB-CZ 4.14Å
413	F	97.6	Very high	95.7	Very high	27 Å²	27	64.4 Å²	64.4	12%	0.118	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	116.9	179.5	-54.9	-93.1	0	0	0	110.1	M332 A333 I335 V393 M395 A398 L411	M332-F413 WeakPolarHBondContact CB-O 3.1Å; A333-F413 HydrophobicContact CB-CB 3.95Å; A333-F413 HydrophobicContact CB-CD2 4.25Å; A333-F413 PolarHBondContact N-O 2.8Å; A333-F413 PolarHBondContact O-N 2.9Å; I335-F413 HydrophobicContact CD1-CE2 3.87Å; I335-F413 HydrophobicContact CD1-CZ 4.21Å; I335-F413 HydrophobicContact CG1-CE2 4.07Å; V393-F413 HydrophobicContact CG2-CZ 4.19Å; M395-F413 HydrophobicContact CB-CE1 4.42Å; M395-F413 HydrophobicContact CG-CE1 4.04Å; A398-F413 HydrophobicContact CB-CD1 3.84Å; A398-F413 HydrophobicContact CB-CE1 4.05Å; L411-F413 HydrophobicContact CB-CE2 4.49Å; L411-F413 HydrophobicContact CD2-CE1 4.22Å; L411-F413 HydrophobicContact CD2-CE2 3.84Å; L411-F413 HydrophobicContact CD2-CZ 3.36Å; L411-F413 HydrophobicContact CG-CE1 4.4Å; L411-F413 HydrophobicContact CG-CE2 3.72Å; L411-F413 HydrophobicContact CG-CZ 3.64Å
414	A	96.5	Very high	95.6	Very high	6 Å²	6	64.6 Å²	64.6	5%	0.05	30%	0.303	C	S	.	.			trans	-83.1	154.1	167.3	0	0	0	0	0	110.5	N397 E419 K420	N397-A414 HydrophobicContact CB-CB 4.29Å; N397-A414 WeakPolarHBondContact CB-O 3.42Å; N397-A414 PolarHBondContact O-N 3.09Å; A414-E419 HydrophobicContact CB-CB 3.84Å; A414-K420 HydrophobicContact CB-CB 4.02Å
415	K	93.3	Very high	95.6	Very high	127 Å²	127	68.5 Å²	68.5	55%	0.552	31%	0.314	S	S	*	.	S	Bend	trans	-74.9	-37.1	177.8	-68.5	176.3	-176.1	160.5	0	110.8	E331 N397 E419	E331-K415 IonicContact OE2-NZ 2.74Å; E331-K415 PolarHBondContact OE2-NZ 3.23Å; N397-K415 PolarHBondContact ND2-O 2.99Å; K415-E419 WeakPolarHBondContact CB-OE2 3.38Å; K415-E419 PolarHBondContact N-OE2 2.82Å
416	K	94.6	Very high	95.6	Very high	113 Å²	113	61 Å²	61	49%	0.491	28%	0.281	S	S	.	.	S	Bend	trans	-123.5	159	-178.5	-56.2	-174.3	175.4	-173.6	0	112.4	E418 E419 K420	K416-E418 VanDerWaalsContact C-N 3.29Å; K416-E418 VanDerWaalsContact CB-OE2 3.28Å; K416-E418 WeakPolarHBondContact CB-OE2 3.37Å; K416-E418 PolarHBondContact O-N 2.95Å; K416-E419 HydrophobicContact CB-CG 4.35Å; K416-E419 PolarHBondContact N-OE2 3.4Å; K416-E419 WeakPolarHBondContact O-CB 3.48Å; K416-E419 PolarHBondContact O-N 3.36Å; K416-K420 PolarHBondContact O-N 3.23Å
417	L	95.1	Very high	95.7	Very high	88 Å²	88	58 Å²	58	46%	0.461	26%	0.263	S	S	.	.	H	α-helix	trans	-63.6	-38.3	177	179.5	60.7	0	0	0	111.2	N397 E419 K420 I421	N397-L417 WeakPolarHBondContact OD1-CA 3.46Å; N397-L417 PolarHBondContact OD1-N 3Å; L417-E419 VanDerWaalsContact C-N 3.27Å; L417-E419 PolarHBondContact O-N 3.38Å; L417-K420 WeakPolarHBondContact O-CB 3.37Å; L417-K420 PolarHBondContact O-N 3.01Å; L417-I421 HydrophobicContact CD1-CD1 4.37Å; L417-I421 HydrophobicContact CD1-CG1 4.45Å; L417-I421 HydrophobicContact CG-CD1 4Å; L417-I421 WeakPolarHBondContact O-CG1 3.15Å; L417-I421 PolarHBondContact O-N 2.94Å
418	E	94.1	Very high	95.9	Very high	95 Å²	95	56.9 Å²	56.9	44%	0.444	25%	0.25	S	S	.	.	H	α-helix	trans	-63.2	-36.1	178.7	-58.2	74.2	-156.4	0	0	111.4	K416 I421 R422	K416-E418 VanDerWaalsContact C-N 3.29Å; K416-E418 VanDerWaalsContact CB-OE2 3.28Å; K416-E418 WeakPolarHBondContact CB-OE2 3.37Å; K416-E418 PolarHBondContact O-N 2.95Å; E418-I421 PolarHBondContact O-N 3.21Å; E418-R422 VanDerWaalsContact O-CG 3.29Å; E418-R422 WeakPolarHBondContact O-CG 3.06Å; E418-R422 PolarHBondContact O-N 3.41Å
419	E	93.6	Very high	95.8	Very high	52 Å²	52	57.6 Å²	57.6	24%	0.243	25%	0.253	C	S	.	.	H	α-helix	trans	-67.3	-43.8	174.7	-70.3	176.8	174.4	0	0	111.1	A414 K415 K416 L417 I421 R422 W423	A414-E419 HydrophobicContact CB-CB 3.84Å; K415-E419 WeakPolarHBondContact CB-OE2 3.38Å; K415-E419 PolarHBondContact N-OE2 2.82Å; K416-E419 HydrophobicContact CB-CG 4.35Å; K416-E419 PolarHBondContact N-OE2 3.4Å; K416-E419 WeakPolarHBondContact O-CB 3.48Å; K416-E419 PolarHBondContact O-N 3.36Å; L417-E419 VanDerWaalsContact C-N 3.27Å; L417-E419 PolarHBondContact O-N 3.38Å; E419-I421 VanDerWaalsContact C-N 3.34Å; E419-I421 PolarHBondContact O-N 2.89Å; E419-R422 PolarHBondContact O-N 3.44Å; E419-W423 PolarHBondContact O-N 2.94Å
420	K	97.2	Very high	95.7	Very high	15 Å²	15	56.3 Å²	56.3	7%	0.065	25%	0.247	C	C	.	.	H	α-helix	trans	-56.6	-48.5	173.5	175.2	179.8	171.9	178.7	0	111	D382 I383 N397 A398 F399 A414 K416 L417 R422 W423 L424	D382-K420 WeakPolarHBondContact OD1-CE 3.38Å; D382-K420 IonicContact OD1-NZ 2.9Å; D382-K420 PolarHBondContact OD1-NZ 2.64Å; I383-K420 PolarHBondContact O-NZ 3.4Å; N397-K420 HydrophobicContact CB-CB 4.41Å; A398-K420 WeakPolarHBondContact O-CE 3.37Å; A398-K420 PolarHBondContact O-NZ 3.41Å; F399-K420 HydrophobicContact CD1-CG 4.41Å; A414-K420 HydrophobicContact CB-CB 4.02Å; K416-K420 PolarHBondContact O-N 3.23Å; L417-K420 WeakPolarHBondContact O-CB 3.37Å; L417-K420 PolarHBondContact O-N 3.01Å; K420-R422 VanDerWaalsContact C-N 3.31Å; K420-R422 PolarHBondContact O-N 3.08Å; K420-W423 PolarHBondContact O-N 2.81Å; K420-L424 HydrophobicContact CG-CD1 4.07Å; K420-L424 HydrophobicContact CG-CG 4.43Å; K420-L424 WeakPolarHBondContact O-CG 3.48Å; K420-L424 PolarHBondContact O-N 3.28Å
421	I	95.3	Very high	95.7	Very high	98 Å²	98	58.9 Å²	58.9	50%	0.503	26%	0.256	S	S	.	.	H	α-helix	trans	-60.6	-41.7	179.3	-67.7	168.3	0	0	0	110.9	L417 E418 E419 L424 R425	L417-I421 HydrophobicContact CD1-CD1 4.37Å; L417-I421 HydrophobicContact CD1-CG1 4.45Å; L417-I421 HydrophobicContact CG-CD1 4Å; L417-I421 WeakPolarHBondContact O-CG1 3.15Å; L417-I421 PolarHBondContact O-N 2.94Å; E418-I421 PolarHBondContact O-N 3.21Å; E419-I421 VanDerWaalsContact C-N 3.34Å; E419-I421 PolarHBondContact O-N 2.89Å; I421-L424 PolarHBondContact O-N 2.9Å; I421-R425 WeakPolarHBondContact O-CB 3.34Å; I421-R425 PolarHBondContact O-N 2.96Å
422	R	93.8	Very high	95.4	Very high	100 Å²	100	63.9 Å²	63.9	38%	0.377	28%	0.278	S	S	.	.	H	α-helix	trans	-63.2	-44.6	176.3	-75.4	176.9	-169.9	147.3	11.7	112.4	Y328 E418 E419 K420 R425 A426	Y328-R422 HydrophobicContact CE1-CB 4.25Å; Y328-R422 WeakPolarHBondContact OH-CD 3.34Å; E418-R422 VanDerWaalsContact O-CG 3.29Å; E418-R422 WeakPolarHBondContact O-CG 3.06Å; E418-R422 PolarHBondContact O-N 3.41Å; E419-R422 PolarHBondContact O-N 3.44Å; K420-R422 VanDerWaalsContact C-N 3.31Å; K420-R422 PolarHBondContact O-N 3.08Å; R422-R425 PolarHBondContact O-N 3.22Å; R422-A426 WeakPolarHBondContact O-CB 3.46Å; R422-A426 PolarHBondContact O-N 2.82Å
423	W	97.3	Very high	95	Very high	3 Å²	3	64.6 Å²	64.6	1%	0.011	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-47.8	175.4	-83.4	107.9	0	0	0	112.1	Y328 M332 F347 L349 M354 F399 E419 K420 R425 A426 F427	Y328-W423 AromaticContact CD1-CD2 3.71Å; Y328-W423 HydrophobicContact CD1-CD2 3.71Å; Y328-W423 AromaticContact CD1-CE2 3.71Å; Y328-W423 AromaticContact CD1-CE3 3.84Å; Y328-W423 HydrophobicContact CD1-CE3 3.84Å; Y328-W423 HydrophobicContact CD1-CG 4.32Å; Y328-W423 AromaticContact CD1-CH2 3.95Å; Y328-W423 HydrophobicContact CD1-CH2 3.95Å; Y328-W423 AromaticContact CD1-CZ2 3.85Å; Y328-W423 HydrophobicContact CD1-CZ2 3.85Å; Y328-W423 AromaticContact CD1-CZ3 3.96Å; Y328-W423 HydrophobicContact CD1-CZ3 3.96Å; Y328-W423 AromaticContact CE1-CD2 3.85Å; Y328-W423 HydrophobicContact CE1-CD2 3.85Å; Y328-W423 AromaticContact CE1-CE2 3.62Å; Y328-W423 HydrophobicContact CE1-CE3 4.45Å; Y328-W423 HydrophobicContact CE1-CG 4.1Å; Y328-W423 HydrophobicContact CE1-CZ2 4.03Å; Y328-W423 AromaticContact CE1-NE1 3.74Å; M332-W423 HydrophobicContact CE-CD2 3.62Å; M332-W423 HydrophobicContact CE-CE3 3.91Å; M332-W423 HydrophobicContact CE-CG 4.25Å; M332-W423 HydrophobicContact CE-CH2 3.83Å; M332-W423 HydrophobicContact CE-CZ2 3.48Å; M332-W423 VanDerWaalsContact CE-CZ2 3.48Å; M332-W423 HydrophobicContact CE-CZ3 4.01Å; M332-W423 HydrophobicContact CG-CZ2 4.46Å; M332-W423 HydrophobicContact SD-CD2 3.77Å; M332-W423 VanDerWaalsContact SD-CE2 3.54Å; M332-W423 HydrophobicContact SD-CG 3.76Å; M332-W423 HydrophobicContact SD-CZ2 4.21Å; M332-W423 PolarHBondContact SD-NE1 2.99Å; F347-W423 HydrophobicContact CB-CH2 3.48Å; F347-W423 VanDerWaalsContact CB-CH2 3.48Å; F347-W423 HydrophobicContact CB-CZ2 3.94Å; F347-W423 HydrophobicContact CB-CZ3 4.33Å; L349-W423 HydrophobicContact CB-CZ3 4.09Å; M354-W423 HydrophobicContact SD-CZ3 3.99Å; F399-W423 HydrophobicContact CE1-CB 3.96Å; F399-W423 HydrophobicContact CE1-CG 4.37Å; F399-W423 HydrophobicContact CZ-CB 4.13Å; F399-W423 HydrophobicContact CZ-CG 4.41Å; E419-W423 PolarHBondContact O-N 2.94Å; K420-W423 PolarHBondContact O-N 2.81Å; W423-R425 VanDerWaalsContact C-N 3.29Å; W423-R425 PolarHBondContact O-N 2.96Å; W423-A426 WeakPolarHBondContact O-CB 3.44Å; W423-A426 PolarHBondContact O-N 3.12Å; W423-A426 VanDerWaalsContact O-N 3.09Å; W423-F427 HydrophobicContact CB-CE2 4.29Å; W423-F427 AromaticContact CE3-CE2 3.96Å; W423-F427 HydrophobicContact CE3-CE2 3.96Å; W423-F427 AromaticContact CE3-CZ 3.96Å; W423-F427 HydrophobicContact CE3-CZ 3.96Å; W423-F427 HydrophobicContact CZ3-CZ 4.38Å; W423-F427 WeakPolarHBondContact O-CD2 3.16Å; W423-F427 PolarHBondContact O-N 2.91Å
424	L	97.2	Very high	94.7	Very high	12 Å²	12	63.5 Å²	63.5	6%	0.063	28%	0.277	C	S	.	.	H	α-helix	trans	-61.1	-37.2	177	-68	175.6	0	0	0	112.4	V380 D382 F399 K420 I421 R428	V380-L424 HydrophobicContact CG1-CD2 3.58Å; D382-L424 HydrophobicContact CB-CD1 4.28Å; D382-L424 HydrophobicContact CB-CD2 4.45Å; D382-L424 WeakPolarHBondContact OD2-CD1 3.49Å; F399-L424 HydrophobicContact CB-CD2 4.14Å; F399-L424 HydrophobicContact CG-CD2 4.28Å; K420-L424 HydrophobicContact CG-CD1 4.07Å; K420-L424 HydrophobicContact CG-CG 4.43Å; K420-L424 WeakPolarHBondContact O-CG 3.48Å; K420-L424 PolarHBondContact O-N 3.28Å; I421-L424 PolarHBondContact O-N 2.9Å; L424-R428 WeakPolarHBondContact O-CG 3.44Å; L424-R428 PolarHBondContact O-N 3.07Å
425	R	95.8	Very high	94.4	Very high	184 Å²	184	69.6 Å²	69.6	69%	0.694	31%	0.305	S	S	*	.	H	α-helix	trans	-66.4	-44.4	172.1	178.8	-179	-91.7	-172.6	-6.3	111.2	I421 R422 W423 F427 R428 E429	I421-R425 WeakPolarHBondContact O-CB 3.34Å; I421-R425 PolarHBondContact O-N 2.96Å; R422-R425 PolarHBondContact O-N 3.22Å; W423-R425 VanDerWaalsContact C-N 3.29Å; W423-R425 PolarHBondContact O-N 2.96Å; R425-F427 VanDerWaalsContact C-N 3.34Å; R425-F427 PolarHBondContact O-N 3.38Å; R425-R428 WeakPolarHBondContact O-CB 3.27Å; R425-R428 PolarHBondContact O-N 3.27Å; R425-R428 VanDerWaalsContact O-N 3.14Å; R425-E429 PolarHBondContact O-N 3.25Å
426	A	94.1	Very high	94	Very high	9 Å²	9	66.5 Å²	66.5	7%	0.074	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-41.9	-179.6	0	0	0	0	0	112.2	I327 Y328 L349 R422 W423 R428 E429 E430	I327-A426 HydrophobicContact CG2-CB 4.39Å; Y328-A426 HydrophobicContact CD1-CB 4.12Å; Y328-A426 HydrophobicContact CG-CB 3.91Å; L349-A426 HydrophobicContact CD2-CB 3.91Å; R422-A426 WeakPolarHBondContact O-CB 3.46Å; R422-A426 PolarHBondContact O-N 2.82Å; W423-A426 WeakPolarHBondContact O-CB 3.44Å; W423-A426 PolarHBondContact O-N 3.12Å; W423-A426 VanDerWaalsContact O-N 3.09Å; A426-R428 PolarHBondContact O-N 3.09Å; A426-E429 PolarHBondContact O-N 3.13Å; A426-E430 WeakPolarHBondContact O-CB 3.42Å; A426-E430 PolarHBondContact O-N 3.21Å
427	F	98	Very high	93.6	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-65.7	-35.5	174.7	-68.1	-63.2	0	0	0	113.6	L349 M354 M375 V380 F399 L401 W423 R425 E430 R431	L349-F427 HydrophobicContact CD1-CD1 3.99Å; L349-F427 HydrophobicContact CD1-CE1 3.83Å; L349-F427 HydrophobicContact CD2-CD1 3.73Å; L349-F427 HydrophobicContact CD2-CE1 3.99Å; L349-F427 HydrophobicContact CD2-CG 4.33Å; M354-F427 HydrophobicContact CE-CE1 4.34Å; M354-F427 HydrophobicContact CE-CZ 4.24Å; M354-F427 HydrophobicContact SD-CE1 3.98Å; M354-F427 HydrophobicContact SD-CZ 3.96Å; M375-F427 HydrophobicContact CE-CD1 3.56Å; M375-F427 HydrophobicContact CE-CE1 3.55Å; M375-F427 HydrophobicContact SD-CE1 4.18Å; V380-F427 HydrophobicContact CG1-CD2 4.08Å; V380-F427 HydrophobicContact CG2-CB 3.58Å; V380-F427 HydrophobicContact CG2-CD1 4.08Å; V380-F427 HydrophobicContact CG2-CD2 3.91Å; V380-F427 HydrophobicContact CG2-CG 3.61Å; F399-F427 HydrophobicContact CD2-CE2 4.31Å; F399-F427 HydrophobicContact CE2-CD2 4.43Å; F399-F427 AromaticContact CE2-CE2 3.45Å; F399-F427 HydrophobicContact CE2-CE2 3.45Å; F399-F427 VanDerWaalsContact CE2-CE2 3.45Å; F399-F427 AromaticContact CE2-CZ 3.99Å; F399-F427 HydrophobicContact CE2-CZ 3.99Å; F399-F427 AromaticContact CZ-CE2 3.7Å; F399-F427 HydrophobicContact CZ-CE2 3.7Å; F399-F427 HydrophobicContact CZ-CZ 4.3Å; L401-F427 HydrophobicContact CD2-CE1 4.5Å; L401-F427 HydrophobicContact CD2-CZ 4.42Å; W423-F427 HydrophobicContact CB-CE2 4.29Å; W423-F427 AromaticContact CE3-CE2 3.96Å; W423-F427 HydrophobicContact CE3-CE2 3.96Å; W423-F427 AromaticContact CE3-CZ 3.96Å; W423-F427 HydrophobicContact CE3-CZ 3.96Å; W423-F427 HydrophobicContact CZ3-CZ 4.38Å; W423-F427 WeakPolarHBondContact O-CD2 3.16Å; W423-F427 PolarHBondContact O-N 2.91Å; R425-F427 VanDerWaalsContact C-N 3.34Å; R425-F427 PolarHBondContact O-N 3.38Å; F427-E430 PolarHBondContact O-N 3.23Å; F427-R431 WeakPolarHBondContact O-CG 3.4Å; F427-R431 PolarHBondContact O-N 3.24Å
428	R	96.1	Very high	93.1	Very high	163 Å²	163	64.1 Å²	64.1	62%	0.615	28%	0.281	S	S	*	.	H	α-helix	trans	-65.9	-41.8	173.7	-70.2	177.4	-171.5	115.5	-2.6	111.3	L424 R425 A426 E430 R431 K432	L424-R428 WeakPolarHBondContact O-CG 3.44Å; L424-R428 PolarHBondContact O-N 3.07Å; R425-R428 WeakPolarHBondContact O-CB 3.27Å; R425-R428 PolarHBondContact O-N 3.27Å; R425-R428 VanDerWaalsContact O-N 3.14Å; A426-R428 PolarHBondContact O-N 3.09Å; R428-E430 VanDerWaalsContact C-N 3.32Å; R428-R431 PolarHBondContact O-N 2.68Å; R428-K432 WeakPolarHBondContact O-CB 3.37Å; R428-K432 PolarHBondContact O-N 3.46Å
429	E	92.2	Very high	92.3	Very high	82 Å²	82	68.5 Å²	68.5	38%	0.383	30%	0.298	S	S	.	.	H	α-helix	trans	-64.7	-39.8	176.9	-162.9	61.8	-145.4	0	0	111.2	I327 R425 A426 K432 M433	I327-E429 HydrophobicContact CG2-CB 4.41Å; R425-E429 PolarHBondContact O-N 3.25Å; A426-E429 PolarHBondContact O-N 3.13Å; E429-K432 PolarHBondContact O-N 2.97Å; E429-K432 IonicContact OE1-NZ 3.49Å; E429-M433 VanDerWaalsContact O-CB 3.3Å; E429-M433 WeakPolarHBondContact O-CB 3.25Å; E429-M433 PolarHBondContact O-N 2.77Å
430	E	95.3	Very high	91.5	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-61.9	-47.4	176.2	-171.5	-83.3	152.5	0	0	112.5	I327 L349 F350 H352 A426 F427 R428 K432 M433 V434	I327-E430 VanDerWaalsContact CD1-CA 3.49Å; I327-E430 HydrophobicContact CD1-CB 3.38Å; I327-E430 HydrophobicContact CD1-CG 3.33Å; L349-E430 HydrophobicContact CD1-CG 4.12Å; L349-E430 HydrophobicContact CD2-CB 4.16Å; L349-E430 HydrophobicContact CD2-CG 4.46Å; L349-E430 HydrophobicContact CG-CB 4.44Å; L349-E430 HydrophobicContact CG-CG 4.23Å; F350-E430 WeakPolarHBondContact O-CG 3.44Å; H352-E430 PolarHBondContact N-OE1 3.47Å; A426-E430 WeakPolarHBondContact O-CB 3.42Å; A426-E430 PolarHBondContact O-N 3.21Å; F427-E430 PolarHBondContact O-N 3.23Å; R428-E430 VanDerWaalsContact C-N 3.32Å; E430-K432 VanDerWaalsContact C-N 3.34Å; E430-K432 PolarHBondContact O-N 3Å; E430-M433 PolarHBondContact O-N 3.36Å; E430-V434 WeakPolarHBondContact O-CG2 3.36Å; E430-V434 PolarHBondContact O-N 3.01Å
431	R	96.6	Very high	90.5	Very high	57 Å²	57	71.7 Å²	71.7	22%	0.215	33%	0.33	C	S	.	.	H	α-helix	trans	-64.6	-37.3	175.1	-70	-64.3	93.4	-173	13.9	113.1	D376 F427 R428 Q435	D376-R431 IonicContact OD1-CZ 3.57Å; D376-R431 VanDerWaalsContact OD1-CZ 3.26Å; D376-R431 IonicContact OD1-NH1 3.64Å; D376-R431 PolarHBondContact OD1-NH1 2.89Å; D376-R431 IonicContact OD1-NH2 3.68Å; D376-R431 PolarHBondContact OD1-NH2 3.2Å; F427-R431 WeakPolarHBondContact O-CG 3.4Å; F427-R431 PolarHBondContact O-N 3.24Å; R428-R431 PolarHBondContact O-N 2.68Å; R431-Q435 VanDerWaalsContact O-CG 3.29Å; R431-Q435 WeakPolarHBondContact O-CG 3.44Å; R431-Q435 PolarHBondContact O-N 3.24Å
432	K	92.3	Very high	89.7	Confident	106 Å²	106	68.4 Å²	68.4	46%	0.461	31%	0.312	S	S	.	.	H	α-helix	trans	-64	-45.3	175.3	-177.8	-169.5	165	-150.5	0	111	R428 E429 E430 Q435 E436	R428-K432 WeakPolarHBondContact O-CB 3.37Å; R428-K432 PolarHBondContact O-N 3.46Å; E429-K432 PolarHBondContact O-N 2.97Å; E429-K432 IonicContact OE1-NZ 3.49Å; E430-K432 VanDerWaalsContact C-N 3.34Å; E430-K432 PolarHBondContact O-N 3Å; K432-Q435 PolarHBondContact O-N 3.3Å; K432-E436 WeakPolarHBondContact O-CB 3.49Å; K432-E436 PolarHBondContact O-N 3.12Å
433	M	89.7	Confident	88.7	Confident	14 Å²	14	71.5 Å²	71.5	7%	0.069	33%	0.331	C	S	.	.	H	α-helix	trans	-60	-49.4	178.4	-179.5	175.6	-55.5	0	0	111.5	R297 E325 I327 D351 E429 E430 Q435 E436 D437	R297-M433 VanDerWaalsContact CZ-SD 3.51Å; R297-M433 PolarHBondContact NH2-SD 3.06Å; R297-M433 VanDerWaalsContact NH2-SD 3.42Å; E325-M433 HydrophobicContact CB-SD 4.17Å; E325-M433 HydrophobicContact CG-CE 4.26Å; E325-M433 HydrophobicContact CG-SD 4.38Å; I327-M433 HydrophobicContact CD1-CE 4.15Å; I327-M433 HydrophobicContact CD1-SD 4.02Å; I327-M433 HydrophobicContact CG1-CE 4Å; I327-M433 HydrophobicContact CG1-SD 4.23Å; D351-M433 HydrophobicContact CB-SD 4.14Å; E429-M433 VanDerWaalsContact O-CB 3.3Å; E429-M433 WeakPolarHBondContact O-CB 3.25Å; E429-M433 PolarHBondContact O-N 2.77Å; E430-M433 PolarHBondContact O-N 3.36Å; M433-Q435 VanDerWaalsContact C-N 3.33Å; M433-Q435 PolarHBondContact O-N 3.29Å; M433-E436 PolarHBondContact O-N 3.44Å; M433-E436 VanDerWaalsContact O-N 3.17Å; M433-D437 WeakPolarHBondContact CG-OD2 3.27Å; M433-D437 WeakPolarHBondContact O-CB 3.07Å; M433-D437 VanDerWaalsContact O-CG 3.3Å; M433-D437 PolarHBondContact O-N 2.95Å
434	V	92	Very high	87.8	Confident	4 Å²	4	72.4 Å²	72.4	2%	0.024	34%	0.336	C	S	.	.	H	α-helix	trans	-58.1	-44.8	178	168.4	0	0	0	0	111.6	D351 H352 E430 E436 D437 E438	D351-V434 HydrophobicContact CB-CG2 4.31Å; H352-V434 VanDerWaalsContact CE1-CG1 3.41Å; H352-V434 WeakPolarHBondContact CE1-CG1 3.21Å; E430-V434 WeakPolarHBondContact O-CG2 3.36Å; E430-V434 PolarHBondContact O-N 3.01Å; V434-E436 VanDerWaalsContact C-N 3.35Å; V434-E436 PolarHBondContact O-N 2.75Å; V434-D437 PolarHBondContact O-N 3.05Å; V434-E438 WeakPolarHBondContact O-CB 3.28Å; V434-E438 WeakPolarHBondContact O-CG 3.42Å; V434-E438 PolarHBondContact O-N 3.42Å
435	Q	90	Very high	86.9	Confident	134 Å²	134	74.3 Å²	74.3	63%	0.626	35%	0.35	S	S	*	.	H	α-helix	trans	-64.6	-38.3	177.8	-72.2	174.7	9.4	0	0	112.9	R431 K432 M433 K439	R431-Q435 VanDerWaalsContact O-CG 3.29Å; R431-Q435 WeakPolarHBondContact O-CG 3.44Å; R431-Q435 PolarHBondContact O-N 3.24Å; K432-Q435 PolarHBondContact O-N 3.3Å; M433-Q435 VanDerWaalsContact C-N 3.33Å; M433-Q435 PolarHBondContact O-N 3.29Å; Q435-K439 VanDerWaalsContact O-CB 3.29Å; Q435-K439 WeakPolarHBondContact O-CB 3.47Å; Q435-K439 PolarHBondContact O-N 2.84Å; Q435-K439 VanDerWaalsContact O-N 3.08Å
436	E	84.6	Confident	86	Confident	63 Å²	63	70.4 Å²	70.4	29%	0.294	34%	0.34	S	S	.	.	H	α-helix	trans	-70.5	-43.3	178.6	-172.4	154.3	-140.4	0	0	111.2	Q290 K432 M433 V434 K439 I440	Q290-E436 PolarHBondContact OE1-OE1 3.16Å; K432-E436 WeakPolarHBondContact O-CB 3.49Å; K432-E436 PolarHBondContact O-N 3.12Å; M433-E436 PolarHBondContact O-N 3.44Å; M433-E436 VanDerWaalsContact O-N 3.17Å; V434-E436 VanDerWaalsContact C-N 3.35Å; V434-E436 PolarHBondContact O-N 2.75Å; E436-K439 WeakPolarHBondContact O-CB 3.3Å; E436-K439 PolarHBondContact O-N 2.96Å; E436-I440 WeakPolarHBondContact O-CG1 3.14Å; E436-I440 PolarHBondContact O-N 3.31Å
437	D	86.3	Confident	85.2	Confident	11 Å²	11	75.5 Å²	75.5	6%	0.059	37%	0.366	C	S	.	.	H	α-helix	trans	-63.9	-42.8	177.6	-71.8	-19.9	0	0	0	111.5	R297 M433 V434 K439 I440 G441 F442	R297-D437 IonicContact CZ-OD2 3.83Å; R297-D437 IonicContact NH1-OD1 2.57Å; R297-D437 PolarHBondContact NH1-OD1 2.92Å; R297-D437 VanDerWaalsContact NH1-OD1 3.12Å; R297-D437 IonicContact NH1-OD2 2.8Å; R297-D437 PolarHBondContact NH1-OD2 2.93Å; M433-D437 WeakPolarHBondContact CG-OD2 3.27Å; M433-D437 WeakPolarHBondContact O-CB 3.07Å; M433-D437 VanDerWaalsContact O-CG 3.3Å; M433-D437 PolarHBondContact O-N 2.95Å; V434-D437 PolarHBondContact O-N 3.05Å; D437-K439 PolarHBondContact O-N 3.3Å; D437-I440 WeakPolarHBondContact O-CG1 3.47Å; D437-I440 PolarHBondContact O-N 2.7Å; D437-G441 PolarHBondContact O-N 2.72Å; D437-F442 HydrophobicContact CB-CB 4.18Å; D437-F442 HydrophobicContact CB-CD1 4.21Å; D437-F442 PolarHBondContact O-N 2.99Å
438	E	84.4	Confident	84.2	Confident	140 Å²	140	78 Å²	78	65%	0.654	38%	0.377	S	S	*	.	H	α-helix	trans	-62	-41.8	172.4	-77.7	-177.3	173.9	0	0	112.2	V434 I440 G441	V434-E438 WeakPolarHBondContact O-CB 3.28Å; V434-E438 WeakPolarHBondContact O-CG 3.42Å; V434-E438 PolarHBondContact O-N 3.42Å; E438-I440 PolarHBondContact O-N 2.87Å; E438-G441 PolarHBondContact O-N 3.49Å
439	K	77.6	Confident	83.6	Confident	186 Å²	186	72.1 Å²	72.1	81%	0.809	36%	0.356	S	S	*	.	H	α-helix	trans	-64.4	-39.6	-179.9	-179.6	-174.3	174.8	-168.2	0	112.2	Q435 E436 D437	Q435-K439 VanDerWaalsContact O-CB 3.29Å; Q435-K439 WeakPolarHBondContact O-CB 3.47Å; Q435-K439 PolarHBondContact O-N 2.84Å; Q435-K439 VanDerWaalsContact O-N 3.08Å; E436-K439 WeakPolarHBondContact O-CB 3.3Å; E436-K439 PolarHBondContact O-N 2.96Å; D437-K439 PolarHBondContact O-N 3.3Å
440	I	75.1	Confident	83.1	Confident	79 Å²	79	75.4 Å²	75.4	41%	0.405	37%	0.365	S	S	.	.	H	α-helix	trans	-88.2	-5.7	179.8	70.1	-173.4	0	0	0	112.9	W199 E436 D437 E438 F442	W199-I440 HydrophobicContact CZ2-CD1 4.49Å; E436-I440 WeakPolarHBondContact O-CG1 3.14Å; E436-I440 PolarHBondContact O-N 3.31Å; D437-I440 WeakPolarHBondContact O-CG1 3.47Å; D437-I440 PolarHBondContact O-N 2.7Å; E438-I440 PolarHBondContact O-N 2.87Å; I440-F442 VanDerWaalsContact C-N 3.32Å; I440-F442 HydrophobicContact CD1-CB 3.9Å; I440-F442 HydrophobicContact CG1-CB 3.78Å
441	G	76.6	Confident	82.4	Confident	55 Å²	55	81 Å²	81	57%	0.567	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	38.2	-174.9	0	0	0	0	0	112.1	D437 E438 E443	D437-G441 PolarHBondContact O-N 2.72Å; E438-G441 PolarHBondContact O-N 3.49Å; G441-E443 PolarHBondContact O-N 3.06Å
442	F	78.4	Confident	81.7	Confident	29 Å²	29	78.3 Å²	78.3	13%	0.127	38%	0.381	C	S	.	.			trans	-73.1	121.5	176.4	169.1	-132.6	0	0	0	110.4	S324 D437 I440 I444	S324-F442 WeakPolarHBondContact OG-CE1 3.44Å; D437-F442 HydrophobicContact CB-CB 4.18Å; D437-F442 HydrophobicContact CB-CD1 4.21Å; D437-F442 PolarHBondContact O-N 2.99Å; I440-F442 VanDerWaalsContact C-N 3.32Å; I440-F442 HydrophobicContact CD1-CB 3.9Å; I440-F442 HydrophobicContact CG1-CB 3.78Å; F442-I444 HydrophobicContact CZ-CG1 4.07Å
443	E	73.6	Confident	81.3	Confident	166 Å²	166	75.1 Å²	75.1	78%	0.776	38%	0.375	S	S	*	.			trans	-128.7	144.5	168.8	-63.9	178.7	176.3	0	0	110.8	G441 S445	G441-E443 PolarHBondContact O-N 3.06Å; E443-S445 PolarHBondContact O-N 3.26Å
444	I	77.4	Confident	80.9	Confident	22 Å²	22	79.5 Å²	79.5	11%	0.113	40%	0.396	C	S	.	.			trans	-71.5	122.6	167.2	-50.5	173.9	0	0	0	107.8	I301 L320 S323 S324 F442 Q448 K449	I301-I444 HydrophobicContact CD1-CG2 3.87Å; L320-I444 HydrophobicContact CD2-CD1 4.3Å; S323-I444 VanDerWaalsContact O-CD1 3.26Å; S323-I444 WeakPolarHBondContact O-CD1 3.45Å; S324-I444 VanDerWaalsContact CB-CD1 3.44Å; F442-I444 HydrophobicContact CZ-CG1 4.07Å; I444-Q448 HydrophobicContact CG2-CB 3.91Å; I444-K449 HydrophobicContact CG2-CG 3.87Å
445	S	77.8	Confident	80.4	Confident	51 Å²	51	81 Å²	81	36%	0.357	41%	0.406	S	S	.	.			trans	-66.2	147.3	179.5	69.9	0	0	0	0	111.9	E443 N447 Q448 K449	E443-S445 PolarHBondContact O-N 3.26Å; S445-N447 PolarHBondContact O-N 2.74Å; S445-N447 VanDerWaalsContact O-N 3.12Å; S445-Q448 WeakPolarHBondContact O-CB 3.48Å; S445-Q448 PolarHBondContact O-N 3.2Å; S445-Q448 VanDerWaalsContact OG-CG 3.23Å; S445-Q448 WeakPolarHBondContact OG-CG 3.31Å; S445-Q448 PolarHBondContact OG-N 3.46Å; S445-Q448 PolarHBondContact OG-OE1 2.75Å; S445-K449 PolarHBondContact O-N 2.79Å; S445-K449 VanDerWaalsContact O-N 3.13Å
446	E	78.6	Confident	80	Confident	103 Å²	103	76.6 Å²	76.6	48%	0.481	39%	0.387	S	S	.	.	H	α-helix	trans	-56.5	-30.6	175.6	-77.9	-60.7	122.8	0	0	113.2	K449 R450	E446-K449 IonicContact OE1-NZ 2.78Å; E446-K449 PolarHBondContact OE1-NZ 3.26Å; E446-R450 WeakPolarHBondContact O-CB 3.4Å; E446-R450 VanDerWaalsContact O-CG 3.24Å; E446-R450 WeakPolarHBondContact O-CG 3.17Å; E446-R450 PolarHBondContact O-N 3.16Å
447	N	75.6	Confident	79.6	Confident	116 Å²	116	83.4 Å²	83.4	62%	0.62	41%	0.41	S	S	*	.	H	α-helix	trans	-67.5	-41.3	175.7	-70.7	-22.4	0	0	0	111.8	S445 R450 Q451	S445-N447 PolarHBondContact O-N 2.74Å; S445-N447 VanDerWaalsContact O-N 3.12Å; N447-R450 PolarHBondContact O-N 3.32Å; N447-Q451 WeakPolarHBondContact O-CB 3.45Å; N447-Q451 PolarHBondContact O-N 2.89Å
448	Q	78.8	Confident	78.9	Confident	55 Å²	55	91.1 Å²	91.1	26%	0.257	44%	0.443	S	S	.	.	H	α-helix	trans	-65.1	-43.7	176.9	-74.6	161.1	-34.9	0	0	111.3	I301 I444 S445 R450 Q451 A452	I301-Q448 HydrophobicContact CD1-CB 4.37Å; I444-Q448 HydrophobicContact CG2-CB 3.91Å; S445-Q448 WeakPolarHBondContact O-CB 3.48Å; S445-Q448 PolarHBondContact O-N 3.2Å; S445-Q448 VanDerWaalsContact OG-CG 3.23Å; S445-Q448 WeakPolarHBondContact OG-CG 3.31Å; S445-Q448 PolarHBondContact OG-N 3.46Å; S445-Q448 PolarHBondContact OG-OE1 2.75Å; Q448-R450 VanDerWaalsContact C-N 3.35Å; Q448-R450 PolarHBondContact O-N 2.73Å; Q448-Q451 PolarHBondContact O-N 2.99Å; Q448-A452 PolarHBondContact O-N 3.4Å
449	K	82.2	Confident	77.7	Confident	41 Å²	41	88.7 Å²	88.7	18%	0.178	44%	0.438	C	S	.	.	H	α-helix	trans	-58.2	-47.1	174.3	-61.2	-176.4	-169	171	0	111.5	L320 I444 S445 E446 Q451 A452 A453	L320-K449 WeakPolarHBondContact O-CE 3.37Å; I444-K449 HydrophobicContact CG2-CG 3.87Å; S445-K449 PolarHBondContact O-N 2.79Å; S445-K449 VanDerWaalsContact O-N 3.13Å; E446-K449 IonicContact OE1-NZ 2.78Å; E446-K449 PolarHBondContact OE1-NZ 3.26Å; K449-Q451 PolarHBondContact O-N 3.43Å; K449-A452 PolarHBondContact O-N 3.25Å; K449-A453 WeakPolarHBondContact O-CB 3.42Å; K449-A453 PolarHBondContact O-N 3.37Å
450	R	81.3	Confident	76.1	Confident	150 Å²	150	84.6 Å²	84.6	57%	0.566	43%	0.431	S	S	*	.	H	α-helix	trans	-62.5	-41.1	177.2	-74.1	174.3	-173	-175.6	3	112.4	E446 N447 Q448 A453 M454	E446-R450 WeakPolarHBondContact O-CB 3.4Å; E446-R450 VanDerWaalsContact O-CG 3.24Å; E446-R450 WeakPolarHBondContact O-CG 3.17Å; E446-R450 PolarHBondContact O-N 3.16Å; N447-R450 PolarHBondContact O-N 3.32Å; Q448-R450 VanDerWaalsContact C-N 3.35Å; Q448-R450 PolarHBondContact O-N 2.73Å; R450-A453 PolarHBondContact O-N 3.07Å; R450-M454 HydrophobicContact CB-CE 4.25Å; R450-M454 WeakPolarHBondContact O-CG 3.37Å; R450-M454 PolarHBondContact O-N 3.18Å
451	Q	81.6	Confident	74.8	Confident	120 Å²	120	90.7 Å²	90.7	56%	0.561	45%	0.454	S	S	*	.	H	α-helix	trans	-62.3	-47.3	178.2	-179.6	171.6	-11.6	0	0	111	N447 Q448 K449 A453 M454 T455	N447-Q451 WeakPolarHBondContact O-CB 3.45Å; N447-Q451 PolarHBondContact O-N 2.89Å; Q448-Q451 PolarHBondContact O-N 2.99Å; K449-Q451 PolarHBondContact O-N 3.43Å; Q451-A453 PolarHBondContact O-N 3.03Å; Q451-M454 WeakPolarHBondContact O-CB 3.04Å; Q451-M454 PolarHBondContact O-N 3.32Å; Q451-M454 VanDerWaalsContact O-N 3.08Å; Q451-T455 PolarHBondContact O-N 3.36Å; Q451-T455 PolarHBondContact O-OG1 3.08Å
452	A	82.9	Confident	72.9	Confident	0 Å²	0	94 Å²	94	0%	0	45%	0.454	C	S	.	.	H	α-helix	trans	-61.7	-43	177.1	0	0	0	0	0	112.5	I301 D302 A305 L320 Q448 K449 M454 T455 V456	I301-A452 HydrophobicContact CG2-CB 3.72Å; D302-A452 WeakPolarHBondContact OD1-CA 3.49Å; D302-A452 WeakPolarHBondContact OD1-CB 3.37Å; A305-A452 HydrophobicContact CB-CB 3.89Å; L320-A452 HydrophobicContact CD1-CB 3.82Å; Q448-A452 PolarHBondContact O-N 3.4Å; K449-A452 PolarHBondContact O-N 3.25Å; A452-M454 VanDerWaalsContact C-N 3.29Å; A452-M454 PolarHBondContact O-N 3.12Å; A452-T455 WeakPolarHBondContact O-CB 3.35Å; A452-T455 PolarHBondContact O-N 3.43Å; A452-T455 VanDerWaalsContact O-N 3.16Å; A452-V456 PolarHBondContact O-N 3.49Å
453	A	82.9	Confident	70.8	Confident	39 Å²	39	102.4 Å²	102.4	32%	0.322	49%	0.491	S	S	.	.	H	α-helix	trans	-61.8	-35.2	173.7	0	0	0	0	0	112.7	K449 R450 Q451 R457	K449-A453 WeakPolarHBondContact O-CB 3.42Å; K449-A453 PolarHBondContact O-N 3.37Å; R450-A453 PolarHBondContact O-N 3.07Å; Q451-A453 PolarHBondContact O-N 3.03Å; A453-R457 WeakPolarHBondContact O-CG 3.23Å; A453-R457 PolarHBondContact O-N 3.36Å
454	M	80.9	Confident	69.3	Low	105 Å²	105	97.4 Å²	97.4	52%	0.517	48%	0.484	S	S	.	.	H	α-helix	trans	-68.9	-37.2	174.2	-75	-171.5	-126.6	0	0	112.4	R450 Q451 A452 V456 R457 K458	R450-M454 HydrophobicContact CB-CE 4.25Å; R450-M454 WeakPolarHBondContact O-CG 3.37Å; R450-M454 PolarHBondContact O-N 3.18Å; Q451-M454 WeakPolarHBondContact O-CB 3.04Å; Q451-M454 PolarHBondContact O-N 3.32Å; Q451-M454 VanDerWaalsContact O-N 3.08Å; A452-M454 VanDerWaalsContact C-N 3.29Å; A452-M454 PolarHBondContact O-N 3.12Å; M454-V456 VanDerWaalsContact C-N 3.3Å; M454-V456 PolarHBondContact O-N 2.9Å; M454-R457 PolarHBondContact O-N 3.08Å; M454-R457 VanDerWaalsContact O-N 3.13Å; M454-K458 PolarHBondContact O-N 3.19Å
455	T	80.8	Confident	67.4	Low	37 Å²	37	102.4 Å²	102.4	23%	0.227	52%	0.515	C	S	.	.	H	α-helix	trans	-58.4	-43.6	175.3	-58.2	0	0	0	0	110.9	Q451 A452 R457 K458	Q451-T455 PolarHBondContact O-N 3.36Å; Q451-T455 PolarHBondContact O-OG1 3.08Å; A452-T455 WeakPolarHBondContact O-CB 3.35Å; A452-T455 PolarHBondContact O-N 3.43Å; A452-T455 VanDerWaalsContact O-N 3.16Å; T455-R457 VanDerWaalsContact C-N 3.34Å; T455-R457 PolarHBondContact O-N 3.5Å; T455-K458 PolarHBondContact O-N 3.16Å
456	V	82.8	Confident	65.5	Low	40 Å²	40	106.7 Å²	106.7	24%	0.242	53%	0.534	C	S	.	.	H	α-helix	trans	-59.9	-41.9	174.2	176.5	0	0	0	0	112.1	A305 Q306 A309 A452 M454 K458 V459	A305-V456 HydrophobicContact CB-CG2 3.76Å; A305-V456 WeakPolarHBondContact O-CG2 3.4Å; Q306-V456 HydrophobicContact CG-CG2 4.39Å; A309-V456 HydrophobicContact CB-CG1 3.43Å; A309-V456 VanDerWaalsContact CB-CG1 3.43Å; A309-V456 HydrophobicContact CB-CG2 4.33Å; A452-V456 PolarHBondContact O-N 3.49Å; M454-V456 VanDerWaalsContact C-N 3.3Å; M454-V456 PolarHBondContact O-N 2.9Å; V456-K458 VanDerWaalsContact C-N 3.35Å; V456-K458 PolarHBondContact O-N 2.99Å; V456-V459 PolarHBondContact O-N 3.48Å
457	R	76.4	Confident	63.4	Low	207 Å²	207	106.6 Å²	106.6	78%	0.781	55%	0.545	S	S	*	.	H	α-helix	trans	-70.2	-27	-179.3	-69.4	176	-176.6	-174.9	2.3	113.9	A453 M454 T455 V459	A453-R457 WeakPolarHBondContact O-CG 3.23Å; A453-R457 PolarHBondContact O-N 3.36Å; M454-R457 PolarHBondContact O-N 3.08Å; M454-R457 VanDerWaalsContact O-N 3.13Å; T455-R457 VanDerWaalsContact C-N 3.34Å; T455-R457 PolarHBondContact O-N 3.5Å; R457-V459 VanDerWaalsContact C-N 3.31Å
458	K	70.2	Confident	61.3	Low	172 Å²	172	105.8 Å²	105.8	75%	0.748	56%	0.555	S	S	*	*	H	α-helix	trans	-73.9	-21.3	178.4	-76.9	179.3	-180	174.8	0	112.9	M454 T455 V456 P460	M454-K458 PolarHBondContact O-N 3.19Å; T455-K458 PolarHBondContact O-N 3.16Å; V456-K458 VanDerWaalsContact C-N 3.35Å; V456-K458 PolarHBondContact O-N 2.99Å; K458-P460 VanDerWaalsContact O-CD 3.28Å; K458-P460 WeakPolarHBondContact O-CD 3.41Å
459	V	59.1	Low	59.4	Low	90 Å²	90	114.6 Å²	114.6	55%	0.545	59%	0.585	S	S	.	*	S	Bend	trans	-72.6	112.5	170.1	-173.8	0	0	0	0	107.2	V456 R457 K461	V456-V459 PolarHBondContact O-N 3.48Å; R457-V459 VanDerWaalsContact C-N 3.31Å; V459-K461 PolarHBondContact O-N 2.98Å; V459-K461 VanDerWaalsContact O-N 3.17Å
460	P	45.3	Very low	57.2	Low	100 Å²	100	117.1 Å²	117.1	65%	0.649	61%	0.608	S	S	*	*			trans	-59.5	127	-177.3	22.1	-30.1	0	0	0	109	K458 Q462	K458-P460 VanDerWaalsContact O-CD 3.28Å; K458-P460 WeakPolarHBondContact O-CD 3.41Å; P460-Q462 PolarHBondContact O-N 3.23Å
461	K	46.8	Very low	55	Low	206 Å²	206	115 Å²	115	90%	0.896	61%	0.612	S	S	*	*			trans	-59.5	89.2	165.4	-72.5	-173.7	177.3	-175.5	0	107.4	V459 K463	V459-K461 PolarHBondContact O-N 2.98Å; V459-K461 VanDerWaalsContact O-N 3.17Å; K461-K463 PolarHBondContact O-N 3.04Å
462	Q	37.3	Very low	52.8	Low	124 Å²	124	112 Å²	112	58%	0.579	60%	0.602	S	S	*	*			trans	-61.1	105.1	175.2	-89.7	-177.7	-22.4	0	0	108	P460 G464 N466	P460-Q462 PolarHBondContact O-N 3.23Å; Q462-G464 PolarHBondContact O-N 2.95Å; Q462-G464 VanDerWaalsContact O-N 3.11Å; Q462-N466 PolarHBondContact OE1-O 2.91Å
463	K	35.4	Very low	50.3	Low	207 Å²	207	115.7 Å²	115.7	90%	0.9	63%	0.626	S	S	*	*			trans	-64.5	104.8	160.7	-79.9	-176.4	174.9	179.9	0	107.3	K461	K461-K463 PolarHBondContact O-N 3.04Å
464	G	41.7	Very low	47.8	Very low	61 Å²	61	117.7 Å²	117.7	63%	0.629	64%	0.638	S	S	*	*	S	Bend	trans	72.7	120.4	163.2	0	0	0	0	0	115.4	Q462	Q462-G464 PolarHBondContact O-N 2.95Å; Q462-G464 VanDerWaalsContact O-N 3.11Å
465	V	37.5	Very low	45.5	Very low	126 Å²	126	120 Å²	120	76%	0.764	64%	0.642	S	S	*	*	S	Bend	trans	79.4	116.4	161.6	-165.7	0	0	0	0	116.3
466	N	37.2	Very low	43	Very low	142 Å²	142	121.4 Å²	121.4	76%	0.759	65%	0.652	S	S	*	*			trans	69.7	76	167	-65.5	-6.8	0	0	0	118.4	Q462 A468	Q462-N466 PolarHBondContact OE1-O 2.91Å; N466-A468 PolarHBondContact O-N 2.96Å
467	S	34.4	Very low	40.6	Very low	101 Å²	101	124.9 Å²	124.9	71%	0.706	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-67.3	118.9	161.5	-69.9	0	0	0	0	111.6
468	A	32.6	Very low	38.4	Very low	99 Å²	99	119.1 Å²	119.1	82%	0.818	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-67.4	143.1	153.6	0	0	0	0	0	109.5	N466	N466-A468 PolarHBondContact O-N 2.96Å
469	R	37.6	Very low	36.5	Very low	240 Å²	240	117.8 Å²	117.8	91%	0.906	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-75.7	138.2	-158.4	-66.4	166.4	177.1	166.3	-1.8	113.7
470	S	36.4	Very low	35.1	Very low	93 Å²	93	119.7 Å²	119.7	65%	0.65	67%	0.669	S	S	*	*			trans	-120.4	114.8	151.3	40.8	0	0	0	0	107.9
471	V	35.3	Very low	34.4	Very low	107 Å²	107	120 Å²	120	65%	0.648	67%	0.671	S	S	*	*			trans	-96.2	143.4	173	-174.7	0	0	0	0	106.2
472	P	34.9	Very low	33.6	Very low	55 Å²	55	117.7 Å²	117.7	36%	0.357	67%	0.667	S	S	.	*			trans	-53.9	154.6	169.7	21.8	-32.8	0	0	0	110.6	S474	P472-S474 PolarHBondContact O-N 3.4Å
473	P	31.6	Very low	33.1	Very low	78 Å²	78	118.8 Å²	118.8	51%	0.506	68%	0.677	S	S	.	*			trans	-56.5	106.4	173.3	23.2	-31.6	0	0	0	109
474	S	29.5	Very low	32.7	Very low	82 Å²	82	118.5 Å²	118.5	57%	0.573	68%	0.678	S	S	*	*			trans	-88.8	113.6	176.6	46.3	0	0	0	0	109	P472 Q527	P472-S474 PolarHBondContact O-N 3.4Å; S474-Q527 PolarHBondContact O-NE2 2.86Å
475	Y	32.8	Very low	31.9	Very low	152 Å²	152	118.8 Å²	118.8	60%	0.596	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-76.6	146	157	-73	-85.5	0	0	0	108.9
476	P	28.7	Very low	31.3	Very low	68 Å²	68	121.8 Å²	121.8	44%	0.442	69%	0.687	S	S	.	*	P	Polyproline II helix	trans	-77.2	145.4	-174.6	39.6	-32.6	0	0	0	108.7	Q527	P476-Q527 HydrophobicContact CB-CG 3.83Å; P476-Q527 VanDerWaalsContact CD-CG 3.47Å; P476-Q527 VanDerWaalsContact CD-NE2 3.27Å; P476-Q527 HydrophobicContact CG-CG 3.27Å
477	P	32.3	Very low	30.7	Very low	113 Å²	113	125 Å²	125	73%	0.734	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-71.3	142.1	167.6	28.3	-31.3	0	0	0	110.2
478	P	29.8	Very low	30.3	Very low	86 Å²	86	128 Å²	128	56%	0.558	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-71.3	135.7	172.7	22	-22.5	0	0	0	110.8
479	Q	30.2	Very low	30.1	Very low	144 Å²	144	129.1 Å²	129.1	67%	0.673	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-86.2	123.8	-178.5	-68.7	-178.5	-15	0	0	111	Y531	Q479-Y531 VanDerWaalsContact OE1-CE2 3.26Å
480	D	29.7	Very low	29.7	Very low	130 Å²	130	123.3 Å²	123.3	70%	0.695	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-93.3	144.5	161.6	-79.5	-43.2	0	0	0	110.1
481	P	31.6	Very low	29.2	Very low	107 Å²	107	126.4 Å²	126.4	70%	0.695	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-78.7	143.5	-175.8	32.2	-31.6	0	0	0	109.9
482	L	28.5	Very low	28.7	Very low	157 Å²	157	124.4 Å²	124.4	82%	0.822	70%	0.697	S	S	*	*			trans	-177.9	145.3	138	-96.4	152.7	0	0	0	114.8
483	N	27.1	Very low	28.4	Very low	146 Å²	146	130 Å²	130	78%	0.781	72%	0.722	S	S	*	*			trans	73.2	105.9	152.2	-78.1	-15.3	0	0	0	120.8
484	H	26.8	Very low	28.1	Very low	201 Å²	201	130.6 Å²	130.6	93%	0.931	73%	0.734	S	S	*	*			trans	-65.4	131.7	159.7	-87.3	43.3	0	0	0	111.5
485	G	26.4	Very low	27.8	Very low	68 Å²	68	135.3 Å²	135.3	70%	0.701	75%	0.747	S	S	*	*			trans	-160.5	100.8	168.8	0	0	0	0	0	112.4
486	Q	25.1	Very low	27.4	Very low	188 Å²	188	132.8 Å²	132.8	88%	0.879	75%	0.752	S	S	*	*			trans	66.5	107.5	144.7	-65.3	176.9	-23.7	0	0	121.7
487	Y	24.4	Very low	27.3	Very low	211 Å²	211	138.5 Å²	138.5	83%	0.827	77%	0.772	S	S	*	*				46.9	117.3	122.3	-79.3	-81.1	0	0	0	121.4
488	L	25.6	Very low	26.9	Very low	163 Å²	163	138.8 Å²	138.8	85%	0.853	77%	0.772	S	S	*	*				166.4	128.3	105.3	-93.8	147.3	0	0	0	111.3
489	V	28.8	Very low	26.6	Very low	122 Å²	122	144.5 Å²	144.5	74%	0.739	79%	0.788	S	S	*	*			trans	-97.2	149.1	168.1	175.4	0	0	0	0	108.4
490	P	29	Very low	26.2	Very low	119 Å²	119	144.7 Å²	144.7	77%	0.773	79%	0.789	S	S	*	*			trans	-131.5	152	133.8	16.4	4.5	0	0	0	114.5
491	D	24.7	Very low	26	Very low	158 Å²	158	146.4 Å²	146.4	85%	0.845	79%	0.791	S	S	*	*			trans	-60.6	167	-174.8	-59.4	-67	0	0	0	116.8
492	G	26.1	Very low	25.6	Very low	64 Å²	64	148.1 Å²	148.1	66%	0.66	80%	0.799	S	S	*	*			trans	151.6	76.7	146.1	0	0	0	0	0	119.5
493	I	27.2	Very low	25.4	Very low	173 Å²	173	149.1 Å²	149.1	89%	0.887	80%	0.8	S	S	*	*				65.4	133.4	120.7	-61.4	168.1	0	0	0	121.7
494	A	25.3	Very low	25.6	Very low	91 Å²	91	147 Å²	147	75%	0.752	79%	0.794	S	S	*	*			trans	113.5	98.4	142.7	0	0	0	0	0	120.5
495	Q	24.5	Very low	25.5	Very low	181 Å²	181	147 Å²	147	85%	0.846	79%	0.791	S	S	*	*			trans	-27.8	149.4	146.9	-60.9	167.6	-41.6	0	0	117.9
496	S	24.2	Very low	25.4	Very low	99 Å²	99	155.2 Å²	155.2	69%	0.692	80%	0.801	S	S	*	*				149.3	125.7	105.5	-61.7	0	0	0	0	111.9
497	Q	27	Very low	25.4	Very low	188 Å²	188	152.1 Å²	152.1	88%	0.879	80%	0.8	S	S	*	*				167.3	132.2	107.4	-85.9	-170	-8.2	0	0	112
498	V	22.2	Very low	25.4	Very low	119 Å²	119	150.7 Å²	150.7	72%	0.721	80%	0.801	S	S	*	*			trans	-96.3	145.8	-179.1	171.5	0	0	0	0	108.8
499	F	25.1	Very low	25.5	Very low	206 Å²	206	148.1 Å²	148.1	90%	0.904	80%	0.797	S	S	*	*			trans	-146.9	112.3	149	-102.7	-79.7	0	0	0	111.2
500	E	22	Very low	25.5	Very low	148 Å²	148	147.6 Å²	147.6	69%	0.692	80%	0.796	S	S	*	*			trans	-70.8	168.1	157.7	-84.1	178.7	141.7	0	0	110.7
501	F	24.1	Very low	25.4	Very low	165 Å²	165	149.1 Å²	149.1	72%	0.724	79%	0.79	S	S	*	*			cis	-164.5	151.1	-4.4	-124.9	-70.6	0	0	0	104.7
502	T	23.7	Very low	25.6	Very low	143 Å²	143	151.8 Å²	151.8	88%	0.877	79%	0.789	S	S	*	*			trans	176.5	124.8	133.8	25.1	0	0	0	0	112.3
503	E	24.5	Very low	25.6	Very low	178 Å²	178	156.9 Å²	156.9	83%	0.832	80%	0.796	S	S	*	*			trans	-113.8	176	161.2	-108.6	-170.9	-171.9	0	0	107.9
504	P	31.5	Very low	25.5	Very low	102 Å²	102	155.8 Å²	155.8	66%	0.662	79%	0.791	S	S	*	*			cis	-133.5	167.3	-8.7	29.7	-9.4	0	0	0	113.1
505	K	23.5	Very low	25.5	Very low	200 Å²	200	158.1 Å²	158.1	87%	0.87	79%	0.785	S	S	*	*			trans	-175.2	123.5	142.6	-102.5	157	-168	-179.7	0	114.2
506	R	25.7	Very low	25.6	Very low	241 Å²	241	154.8 Å²	154.8	91%	0.909	78%	0.782	S	S	*	*			trans	53.3	91.1	148.8	-68.9	-177.9	176.3	177.8	-2.1	117.7	Q508	R506-Q508 PolarHBondContact O-N 2.99Å
507	S	24	Very low	25.7	Very low	123 Å²	123	161.2 Å²	161.2	86%	0.86	79%	0.791	S	S	*	*			trans	-69.8	108.3	164.8	173.3	0	0	0	0	111
508	Q	25.8	Very low	25.5	Very low	182 Å²	182	160.4 Å²	160.4	85%	0.85	79%	0.787	S	S	*	*			trans	-87.9	126.5	147.8	-73.5	-173.5	-6.4	0	0	106.3	R506 P510	R506-Q508 PolarHBondContact O-N 2.99Å; Q508-P510 VanDerWaalsContact O-CD 3.29Å; Q508-P510 WeakPolarHBondContact O-CD 3.5Å
509	S	25.6	Very low	25.7	Very low	108 Å²	108	160.6 Å²	160.6	76%	0.755	79%	0.791	S	S	*	*			trans	-75.8	126.4	-178.5	42.5	0	0	0	0	112.3
510	P	29.5	Very low	25.9	Very low	111 Å²	111	158.5 Å²	158.5	72%	0.721	78%	0.781	S	S	*	*			trans	-120.3	82.2	159.4	30.2	-9.3	0	0	0	108.4	Q508	Q508-P510 VanDerWaalsContact O-CD 3.29Å; Q508-P510 WeakPolarHBondContact O-CD 3.5Å
511	F	27.8	Very low	26	Very low	151 Å²	151	156 Å²	156	66%	0.662	78%	0.78	S	S	*	*			trans	-86.6	-9.1	-176.4	-172.5	-108.8	0	0	0	113.9	Q513 F515	F511-Q513 PolarHBondContact O-N 3.28Å; F511-F515 HydrophobicContact CE1-CE2 4.18Å
512	W	28.4	Very low	26.5	Very low	214 Å²	214	155.4 Å²	155.4	81%	0.811	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	14.5	-169.3	-69.1	110.5	0	0	0	116.6
513	Q	26.6	Very low	26.7	Very low	172 Å²	172	152.6 Å²	152.6	80%	0.804	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-4	-178.1	-75.9	-173.3	-15.9	0	0	116	F511	F511-Q513 PolarHBondContact O-N 3.28Å
514	N	24.2	Very low	26.8	Very low	149 Å²	149	149.1 Å²	149.1	80%	0.797	74%	0.739	S	S	*	*	S	Bend	trans	-103.8	-2.7	-176.6	-85	-11.3	0	0	0	116.2	S516	N514-S516 PolarHBondContact O-N 3.35Å; N514-S516 VanDerWaalsContact O-N 3.13Å
515	F	25.8	Very low	26.7	Very low	141 Å²	141	146.1 Å²	146.1	62%	0.618	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	11.4	179.1	-91.5	-78	0	0	0	115.1	F511	F511-F515 HydrophobicContact CE1-CE2 4.18Å
516	S	27	Very low	26.9	Very low	111 Å²	111	143.4 Å²	143.4	78%	0.776	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.5	19.4	-171.4	-54	0	0	0	0	115	N514	N514-S516 PolarHBondContact O-N 3.35Å; N514-S516 VanDerWaalsContact O-N 3.13Å
517	R	25.4	Very low	26.9	Very low	233 Å²	233	136.7 Å²	136.7	88%	0.879	69%	0.687	S	S	*	*	S	Bend	trans	-130.7	6.6	-176.1	-94	-169.5	176.3	-168.2	-0.4	119
518	E	22.6	Very low	26.9	Very low	171 Å²	171	140.2 Å²	140.2	80%	0.799	69%	0.69	S	S	*	*			trans	-126.8	126.7	167.8	-61.2	-146	158.8	0	0	111.2	F520	E518-F520 PolarHBondContact O-N 2.7Å
519	P	26.6	Very low	26.9	Very low	124 Å²	124	142.2 Å²	142.2	81%	0.805	70%	0.696	S	S	*	*			trans	-68.4	112.7	165.8	27.9	-26.9	0	0	0	107.1	S521	P519-S521 PolarHBondContact O-N 3.11Å
520	F	29.4	Very low	26.9	Very low	161 Å²	161	139.7 Å²	139.7	71%	0.706	69%	0.686	S	S	*	*			trans	-56	101.5	168.9	-78.8	-88.7	0	0	0	108.8	E518	E518-F520 PolarHBondContact O-N 2.7Å
521	S	24.5	Very low	26.7	Very low	95 Å²	95	143 Å²	143	66%	0.664	69%	0.686	S	S	*	*			trans	-82.2	111.5	170.5	60.9	0	0	0	0	108.2	P519 I523	P519-S521 PolarHBondContact O-N 3.11Å; S521-I523 PolarHBondContact O-N 2.82Å
522	W	35.3	Very low	26.7	Very low	154 Å²	154	144.1 Å²	144.1	58%	0.583	69%	0.69	S	S	*	*	S	Bend	trans	-75.1	24.5	-177.5	-71.1	96.9	0	0	0	114.3	F68	F68-W522 HydrophobicContact CE2-CZ3 4.5Å; F68-W522 HydrophobicContact CZ-CH2 4.36Å; F68-W522 HydrophobicContact CZ-CZ3 4.1Å
523	I	26.1	Very low	26.5	Very low	84 Å²	84	137.6 Å²	137.6	43%	0.431	69%	0.69	S	S	.	*			trans	-150	112	-179.7	-54.9	175.4	0	0	0	109.4	S521	S521-I523 PolarHBondContact O-N 2.82Å
524	D	26.9	Very low	26.5	Very low	105 Å²	105	137.2 Å²	137.2	56%	0.561	69%	0.692	S	S	*	*			trans	-166.6	57.2	147.3	-101.6	-13.3	0	0	0	110.6	V27	V27-D524 HydrophobicContact CG1-CB 3.84Å; V27-D524 WeakPolarHBondContact CG1-O 3.34Å; V27-D524 WeakPolarHBondContact CG2-O 3.38Å
525	L	30.7	Very low	26.6	Very low	38 Å²	38	141.2 Å²	141.2	20%	0.199	70%	0.695	C	S	.	*			trans	-136.2	46.8	171.8	-101	171	0	0	0	113.6	D25 H26 V27 F36 K37	D25-L525 HydrophobicContact CB-CB 4.12Å; D25-L525 HydrophobicContact CB-CD1 3.73Å; D25-L525 WeakPolarHBondContact OD2-CB 3.2Å; H26-L525 WeakPolarHBondContact O-CD1 3.24Å; V27-L525 HydrophobicContact CB-CD1 4.09Å; V27-L525 HydrophobicContact CB-CG 4.2Å; V27-L525 HydrophobicContact CG1-CG 4.31Å; V27-L525 HydrophobicContact CG2-CB 3.76Å; V27-L525 HydrophobicContact CG2-CD1 3.54Å; V27-L525 HydrophobicContact CG2-CG 3.57Å; F36-L525 WeakPolarHBondContact O-CD1 3.26Å; K37-L525 WeakPolarHBondContact CE-O 3.29Å; K37-L525 HydrophobicContact CG-CD1 4.47Å; K37-L525 HydrophobicContact CG-CD2 4.06Å; K37-L525 PolarHBondContact NZ-O 2.71Å
526	E	26.4	Very low	26.5	Very low	144 Å²	144	143 Å²	143	67%	0.673	71%	0.708	S	S	*	*	S	Bend	trans	-142.8	55.6	161	-141.9	174.2	-150.9	0	0	114.1
527	Q	26.3	Very low	26.4	Very low	99 Å²	99	145.3 Å²	145.3	46%	0.463	71%	0.711	S	S	.	*			trans	-164.6	77.4	163.8	-124.9	172.5	97	0	0	114.5	S474 P476	S474-Q527 PolarHBondContact O-NE2 2.86Å; P476-Q527 HydrophobicContact CB-CG 3.83Å; P476-Q527 VanDerWaalsContact CD-CG 3.47Å; P476-Q527 VanDerWaalsContact CD-NE2 3.27Å; P476-Q527 HydrophobicContact CG-CG 3.27Å
528	Q	24.2	Very low	26.4	Very low	198 Å²	198	139.5 Å²	139.5	93%	0.925	71%	0.706	S	S	*	*			trans	-174.7	97.2	145.8	-104.9	168.5	40.8	0	0	111.2
529	K	26.5	Very low	26.5	Very low	224 Å²	224	136 Å²	136	97%	0.974	71%	0.707	S	S	*	*			trans	-121.6	113.2	145.6	-83	-166.8	177	-176.5	0	106.6
530	G	24.4	Very low	26.7	Very low	54 Å²	54	136.5 Å²	136.5	56%	0.557	71%	0.707	S	S	*	*			trans	167.4	107.2	172.8	0	0	0	0	0	113.5
531	Y	25.7	Very low	26.6	Very low	182 Å²	182	137.5 Å²	137.5	71%	0.714	71%	0.714	S	S	*	*			trans	84.1	128.6	176.9	-66.2	-85.2	0	0	0	115.3	Q479	Q479-Y531 VanDerWaalsContact OE1-CE2 3.26Å
532	K	28	Very low	26.7	Very low	173 Å²	173	137.7 Å²	137.7	75%	0.752	72%	0.716	S	S	*	*			cis	-164.5	124.6	14.1	-144	157.3	-168.9	-174.9	0	108.3	I534	K532-I534 PolarHBondContact O-N 2.85Å
533	G	24.5	Very low	26.5	Very low	78 Å²	78	140 Å²	140	80%	0.804	73%	0.73	S	S	*	*			trans	-66.2	122.5	164.4	0	0	0	0	0	109.9
534	I	26.5	Very low	27.3	Very low	164 Å²	164	141.3 Å²	141.3	84%	0.841	74%	0.744	S	S	*	*			trans	-86.9	109.1	159.2	-66.7	176.1	0	0	0	106.1	K532 M536	K532-I534 PolarHBondContact O-N 2.85Å; I534-M536 PolarHBondContact O-N 3.31Å
535	R	25.7	Very low	27.7	Very low	233 Å²	233	147.7 Å²	147.7	88%	0.879	78%	0.777	S	S	*	*			trans	-66.1	122.9	167.6	-140.8	177	-167.4	175.2	2.3	107.5	N537	R535-N537 PolarHBondContact O-N 3.37Å
536	M	23.5	Very low	27.5	Very low	179 Å²	179	153.2 Å²	153.2	88%	0.882	81%	0.805	S	S	*	*			trans	-51.8	126	161.8	-71.6	-177.4	175.6	0	0	109.5	I534	I534-M536 PolarHBondContact O-N 3.31Å
537	N	24.8	Very low	27.6	Very low	158 Å²	158	153.6 Å²	153.6	85%	0.845	81%	0.812	S	S	*	*			trans	-104.3	113.3	151.8	-97.2	-6.9	0	0	0	107.3	R535	R535-N537 PolarHBondContact O-N 3.37Å
538	S	25	Very low	27.7	Very low	111 Å²	111	156.7 Å²	156.7	78%	0.776	83%	0.832	S	S	*	*			trans	-56.2	127.8	161.2	54.5	0	0	0	0	110.5
539	A	26.5	Very low	27.9	Very low	99 Å²	99	154.2 Å²	154.2	82%	0.818	83%	0.826	S	S	*	*			trans	-141.8	102.9	150.4	0	0	0	0	0	108.1
540	V	28.9	Very low	28	Very low	133 Å²	133	149.9 Å²	149.9	81%	0.806	82%	0.817	S	S	*	*			trans	-52.2	128.5	157.8	171.8	0	0	0	0	108.2
541	E	27.9	Very low	28.2	Very low	182 Å²	182	156.3 Å²	156.3	85%	0.85	84%	0.835	S	S	*	*				-168.8	132.5	129.1	-107.5	168.4	-176.2	0	0	112.6
542	S	27.3	Very low	28.4	Very low	100 Å²	100	154.4 Å²	154.4	70%	0.699	84%	0.843	S	S	*	*			trans	-51	144.6	172.9	45.2	0	0	0	0	115.8
543	K	30.9	Very low	28.4	Very low	202 Å²	202	153 Å²	153	88%	0.878	85%	0.85	S	S	*	*			trans	31.4	160.4	133.2	-72.7	-174.1	176.7	-178.2	0	120
544	P	43.6	Very low	28.7	Very low	111 Å²	111	159.3 Å²	159.3	72%	0.721	85%	0.854	S	S	*	*			cis	-129.2	168.6	6.2	31.7	-8.9	0	0	0	112.2
545	L	34.3	Very low	28.9	Very low	239 Å²	239	158.8 Å²	158.8	100%	1.251	86%	0.855	S	S	*	*				-168.3	0	72.5	-108.3	160.9	0	0	0	109.1

Retrieved 545 of 545 residues in 1379.2 ms (Link to these results)

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