A0A087Y071_POEFO Loading...

NTPase, KAP family P-loop domain containing 1

AlphaFold DB , UniProt , Accession A0A087Y071, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 666 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51	Low	56.3	Low	150 Å²	150	77.6 Å²	77.6	74%	0.739	39%	0.385	S	S	*	.				0	-71.8	0	-156	168.5	-169.3	0	0	112.1	V3 Y4 T5 Y60 I286	M1-V3 PolarHBondContact O-N 3.41Å; M1-Y4 WeakPolarHBondContact O-CB 3.48Å; M1-Y4 PolarHBondContact O-N 3.1Å; M1-T5 PolarHBondContact O-N 3.34Å; M1-T5 VanDerWaalsContact O-N 3.08Å; M1-Y60 HydrophobicContact CG-CE1 4.47Å; M1-I286 HydrophobicContact CE-CD1 3.49Å; M1-I286 VanDerWaalsContact CE-CD1 3.49Å; M1-I286 HydrophobicContact SD-CD1 3.94Å
2	G	45.5	Very low	56.7	Low	25 Å²	25	74.7 Å²	74.7	26%	0.258	37%	0.371	S	S	.	.	H	α-helix	trans	-58.8	-34.5	-173.6	0	0	0	0	0	117.2	Y4 T5 N6 Y60	G2-Y4 VanDerWaalsContact C-N 3.34Å; G2-T5 PolarHBondContact O-OG1 3.46Å; G2-N6 VanDerWaalsContact O-CB 3.31Å; G2-N6 WeakPolarHBondContact O-CB 3.2Å; G2-N6 VanDerWaalsContact O-CG 3.25Å; G2-N6 PolarHBondContact O-N 3.42Å; G2-N6 PolarHBondContact O-ND2 2.84Å; G2-Y60 VanDerWaalsContact CA-CE2 3.5Å; G2-Y60 VanDerWaalsContact CA-CZ 3.5Å
3	V	51.8	Low	57	Low	127 Å²	127	72.4 Å²	72.4	77%	0.77	36%	0.359	S	S	*	.	H	α-helix	trans	-68.9	-34.6	174.8	179.4	0	0	0	0	111.8	M1 R7	M1-V3 PolarHBondContact O-N 3.41Å; V3-R7 WeakPolarHBondContact O-CB 3.32Å; V3-R7 PolarHBondContact O-N 2.91Å; V3-R7 VanDerWaalsContact O-N 3.17Å
4	Y	55.3	Low	57.2	Low	102 Å²	102	77.9 Å²	77.9	40%	0.4	38%	0.383	S	S	.	.	H	α-helix	trans	-75	-48.8	-177.8	-177.9	-97.2	0	0	0	110.9	M1 G2 N6 R7 E8	M1-Y4 WeakPolarHBondContact O-CB 3.48Å; M1-Y4 PolarHBondContact O-N 3.1Å; G2-Y4 VanDerWaalsContact C-N 3.34Å; Y4-N6 VanDerWaalsContact C-N 3.3Å; Y4-N6 PolarHBondContact O-N 2.98Å; Y4-R7 CarbonylContact O-C 3.6Å; Y4-R7 WeakPolarHBondContact O-CB 3.44Å; Y4-R7 PolarHBondContact O-N 3.29Å; Y4-R7 VanDerWaalsContact O-N 3.09Å; Y4-E8 WeakPolarHBondContact O-CB 3.25Å; Y4-E8 PolarHBondContact O-N 3.11Å
5	T	58.8	Low	57.2	Low	22 Å²	22	83.3 Å²	83.3	14%	0.135	40%	0.403	C	S	.	.	H	α-helix	trans	-66.8	-31.9	179.1	64.1	0	0	0	0	112.9	M1 G2 R7 E8 S9 Y60	M1-T5 PolarHBondContact O-N 3.34Å; M1-T5 VanDerWaalsContact O-N 3.08Å; G2-T5 PolarHBondContact O-OG1 3.46Å; T5-R7 VanDerWaalsContact C-N 3.31Å; T5-E8 PolarHBondContact O-N 2.97Å; T5-S9 WeakPolarHBondContact O-CB 3.45Å; T5-S9 PolarHBondContact O-N 3.38Å; T5-S9 PolarHBondContact O-OG 3.05Å; T5-Y60 VanDerWaalsContact CB-OH 3.23Å; T5-Y60 WeakPolarHBondContact CB-OH 3.24Å; T5-Y60 WeakPolarHBondContact CG2-OH 3.42Å; T5-Y60 VanDerWaalsContact OG1-CE2 3.26Å; T5-Y60 WeakPolarHBondContact OG1-CE2 3.4Å; T5-Y60 VanDerWaalsContact OG1-CZ 3.26Å; T5-Y60 PolarHBondContact OG1-OH 3.37Å
6	N	62.7	Low	57	Low	69 Å²	69	79.9 Å²	79.9	37%	0.369	39%	0.391	S	S	.	.	H	α-helix	trans	-70.2	-33.5	174.8	-77.7	-9.3	0	0	0	111.1	G2 Y4 S9 L10	G2-N6 VanDerWaalsContact O-CB 3.31Å; G2-N6 WeakPolarHBondContact O-CB 3.2Å; G2-N6 VanDerWaalsContact O-CG 3.25Å; G2-N6 PolarHBondContact O-N 3.42Å; G2-N6 PolarHBondContact O-ND2 2.84Å; Y4-N6 VanDerWaalsContact C-N 3.3Å; Y4-N6 PolarHBondContact O-N 2.98Å; N6-S9 WeakPolarHBondContact CA-OG 3.4Å; N6-S9 PolarHBondContact O-OG 2.92Å; N6-L10 WeakPolarHBondContact O-CB 3.36Å; N6-L10 WeakPolarHBondContact O-CD1 3.39Å; N6-L10 WeakPolarHBondContact O-CG 3.47Å; N6-L10 PolarHBondContact O-N 3.46Å; N6-L10 VanDerWaalsContact O-N 3.14Å
7	R	57.8	Low	56.6	Low	149 Å²	149	83.5 Å²	83.5	56%	0.562	41%	0.412	S	S	*	.	H	α-helix	trans	-69.2	-39.1	172.8	-173.9	177.4	-178.8	179	-2.2	110.9	V3 Y4 T5 R11	V3-R7 WeakPolarHBondContact O-CB 3.32Å; V3-R7 PolarHBondContact O-N 2.91Å; V3-R7 VanDerWaalsContact O-N 3.17Å; Y4-R7 CarbonylContact O-C 3.6Å; Y4-R7 WeakPolarHBondContact O-CB 3.44Å; Y4-R7 PolarHBondContact O-N 3.29Å; Y4-R7 VanDerWaalsContact O-N 3.09Å; T5-R7 VanDerWaalsContact C-N 3.31Å; R7-R11 PolarHBondContact O-N 3.23Å
8	E	57.7	Low	56.1	Low	42 Å²	42	91 Å²	91	20%	0.196	44%	0.442	C	S	.	.	H	α-helix	trans	-68	-45.2	177.1	-157.4	61.6	-165.3	0	0	111.9	Y4 T5 L10 R11 I12	Y4-E8 WeakPolarHBondContact O-CB 3.25Å; Y4-E8 PolarHBondContact O-N 3.11Å; T5-E8 PolarHBondContact O-N 2.97Å; E8-L10 VanDerWaalsContact C-N 3.31Å; E8-L10 PolarHBondContact O-N 3.17Å; E8-R11 WeakPolarHBondContact O-CB 3.29Å; E8-R11 PolarHBondContact O-N 3.09Å; E8-I12 HydrophobicContact CG-CD1 4.3Å; E8-I12 VanDerWaalsContact O-CG1 3.31Å; E8-I12 WeakPolarHBondContact O-CG1 3.3Å; E8-I12 PolarHBondContact O-N 3.5Å
9	S	58.7	Low	55.8	Low	9 Å²	9	90.3 Å²	90.3	6%	0.063	45%	0.448	C	S	.	.	H	α-helix	trans	-59.5	-42.2	174.8	61.1	0	0	0	0	112.2	T5 N6 R11 I12 E13 V56	T5-S9 WeakPolarHBondContact O-CB 3.45Å; T5-S9 PolarHBondContact O-N 3.38Å; T5-S9 PolarHBondContact O-OG 3.05Å; N6-S9 WeakPolarHBondContact CA-OG 3.4Å; N6-S9 PolarHBondContact O-OG 2.92Å; S9-R11 VanDerWaalsContact C-N 3.28Å; S9-R11 PolarHBondContact O-N 3.13Å; S9-I12 PolarHBondContact O-N 3.13Å; S9-E13 WeakPolarHBondContact O-CB 3.39Å; S9-E13 VanDerWaalsContact O-CG 3.32Å; S9-E13 WeakPolarHBondContact O-CG 3.31Å; S9-E13 PolarHBondContact O-N 2.98Å; S9-V56 WeakPolarHBondContact CB-O 3.24Å
10	L	59.6	Low	55.8	Low	98 Å²	98	92.2 Å²	92.2	51%	0.513	46%	0.455	S	S	.	.	H	α-helix	trans	-66	-31.9	176.5	-74.5	168.8	0	0	0	112.2	N6 E8 Q14	N6-L10 WeakPolarHBondContact O-CB 3.36Å; N6-L10 WeakPolarHBondContact O-CD1 3.39Å; N6-L10 WeakPolarHBondContact O-CG 3.47Å; N6-L10 PolarHBondContact O-N 3.46Å; N6-L10 VanDerWaalsContact O-N 3.14Å; E8-L10 VanDerWaalsContact C-N 3.31Å; E8-L10 PolarHBondContact O-N 3.17Å; L10-Q14 VanDerWaalsContact O-CG 3.27Å; L10-Q14 WeakPolarHBondContact O-CG 3.37Å; L10-Q14 PolarHBondContact O-N 2.72Å; L10-Q14 VanDerWaalsContact O-N 3.16Å
11	R	60.6	Low	55.8	Low	61 Å²	61	96.3 Å²	96.3	23%	0.23	47%	0.47	C	S	.	.	H	α-helix	trans	-71.5	-44.2	174	-87.9	179.4	160.6	154.9	-17.3	112.5	R7 E8 S9 E13 Q14 K15 E383	R7-R11 PolarHBondContact O-N 3.23Å; E8-R11 WeakPolarHBondContact O-CB 3.29Å; E8-R11 PolarHBondContact O-N 3.09Å; S9-R11 VanDerWaalsContact C-N 3.28Å; S9-R11 PolarHBondContact O-N 3.13Å; R11-E13 VanDerWaalsContact C-N 3.28Å; R11-E13 PolarHBondContact O-N 3.37Å; R11-Q14 WeakPolarHBondContact O-CA 3.45Å; R11-Q14 WeakPolarHBondContact O-CB 3.32Å; R11-Q14 PolarHBondContact O-N 3.44Å; R11-K15 PolarHBondContact O-N 2.89Å; R11-E383 WeakPolarHBondContact CD-OE1 3.44Å; R11-E383 IonicContact CZ-OE1 3.19Å; R11-E383 IonicContact NE-OE1 2.98Å; R11-E383 PolarHBondContact NE-OE1 2.82Å; R11-E383 IonicContact NH1-OE1 3.62Å; R11-E383 IonicContact NH2-OE1 3.15Å; R11-E383 PolarHBondContact NH2-OE1 3.19Å
12	I	60.5	Low	56.2	Low	42 Å²	42	90.8 Å²	90.8	22%	0.215	45%	0.446	C	S	.	.	H	α-helix	trans	-60.1	-43.5	176.2	-63.2	163.9	0	0	0	109.7	E8 S9 Q14 K15 S16 H54 N55	E8-I12 HydrophobicContact CG-CD1 4.3Å; E8-I12 VanDerWaalsContact O-CG1 3.31Å; E8-I12 WeakPolarHBondContact O-CG1 3.3Å; E8-I12 PolarHBondContact O-N 3.5Å; S9-I12 PolarHBondContact O-N 3.13Å; I12-Q14 VanDerWaalsContact C-N 3.26Å; I12-Q14 PolarHBondContact O-N 3.11Å; I12-K15 PolarHBondContact O-N 3.01Å; I12-K15 VanDerWaalsContact O-N 3.14Å; I12-S16 PolarHBondContact O-N 2.89Å; I12-S16 VanDerWaalsContact O-N 3.08Å; I12-H54 HydrophobicContact CG2-CB 4.36Å; I12-H54 WeakPolarHBondContact CG2-O 3.42Å; I12-N55 PolarHBondContact O-OD1 2.99Å
13	E	60.9	Low	56.9	Low	45 Å²	45	91.2 Å²	91.2	21%	0.21	44%	0.442	C	S	.	.	H	α-helix	trans	-60.3	-31.9	173.8	-75.1	179.6	172.5	0	0	112.9	S9 R11 P22 N55 R246	S9-E13 WeakPolarHBondContact O-CB 3.39Å; S9-E13 VanDerWaalsContact O-CG 3.32Å; S9-E13 WeakPolarHBondContact O-CG 3.31Å; S9-E13 PolarHBondContact O-N 2.98Å; R11-E13 VanDerWaalsContact C-N 3.28Å; R11-E13 PolarHBondContact O-N 3.37Å; E13-P22 HydrophobicContact CG-CG 4.31Å; E13-N55 HydrophobicContact CG-CB 4.34Å; E13-R246 IonicContact OE1-NH1 2.94Å; E13-R246 PolarHBondContact OE1-NH1 3.28Å; E13-R246 VanDerWaalsContact OE1-NH1 3.16Å
14	Q	60.1	Low	57.1	Low	150 Å²	150	88.3 Å²	88.3	70%	0.701	43%	0.431	S	S	*	.	H	α-helix	trans	-78.8	-28.8	175.8	-76.5	174.1	-8.3	0	0	113.4	L10 R11 I12	L10-Q14 VanDerWaalsContact O-CG 3.27Å; L10-Q14 WeakPolarHBondContact O-CG 3.37Å; L10-Q14 PolarHBondContact O-N 2.72Å; L10-Q14 VanDerWaalsContact O-N 3.16Å; R11-Q14 WeakPolarHBondContact O-CA 3.45Å; R11-Q14 WeakPolarHBondContact O-CB 3.32Å; R11-Q14 PolarHBondContact O-N 3.44Å; I12-Q14 VanDerWaalsContact C-N 3.26Å; I12-Q14 PolarHBondContact O-N 3.11Å
15	K	57.2	Low	57	Low	158 Å²	158	85.4 Å²	85.4	69%	0.687	43%	0.428	S	S	*	.	H	α-helix	trans	-81.9	-24.2	-179.8	-161.2	176.5	-179.2	-177.3	0	112.1	R11 I12 D17 E383	R11-K15 PolarHBondContact O-N 2.89Å; I12-K15 PolarHBondContact O-N 3.01Å; I12-K15 VanDerWaalsContact O-N 3.14Å; K15-D17 PolarHBondContact O-N 3.03Å; K15-E383 PolarHBondContact NZ-O 3.27Å
16	S	54.7	Low	57	Low	29 Å²	29	93.3 Å²	93.3	20%	0.203	46%	0.461	C	S	.	.			trans	-78	45.6	-178.8	93.3	0	0	0	0	114.1	I12 K18 S19 N55	I12-S16 PolarHBondContact O-N 2.89Å; I12-S16 VanDerWaalsContact O-N 3.08Å; S16-K18 PolarHBondContact O-N 3.35Å; S16-S19 PolarHBondContact O-N 3.23Å; S16-N55 PolarHBondContact OG-ND2 3.29Å; S16-N55 PolarHBondContact OG-OD1 2.8Å
17	D	49.5	Very low	56.8	Low	142 Å²	142	92.1 Å²	92.1	76%	0.759	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	3.5	-174.3	-134.3	7	0	0	0	114	K15	K15-D17 PolarHBondContact O-N 3.03Å
18	K	48.3	Very low	57.1	Low	218 Å²	218	88.1 Å²	88.1	95%	0.948	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-7.3	-176.6	-68.3	-173.7	179.5	180	0	115.6	S16	S16-K18 PolarHBondContact O-N 3.35Å
19	S	49.7	Very low	57.4	Low	78 Å²	78	91.8 Å²	91.8	55%	0.545	47%	0.474	S	S	.	.	S	Bend	trans	-129.3	156.1	176.6	69.3	0	0	0	0	112.5	S16 K21	S16-S19 PolarHBondContact O-N 3.23Å; S19-K21 PolarHBondContact O-N 3.13Å
20	E	55.9	Low	57.9	Low	128 Å²	128	99.8 Å²	99.8	60%	0.598	51%	0.508	S	S	*	.			trans	-39.1	129.1	-178.2	-64.6	-177.6	117	0	0	113.6	K245	E20-K245 IonicContact OE1-NZ 3.02Å; E20-K245 PolarHBondContact OE1-NZ 3.27Å; E20-K245 IonicContact OE2-NZ 2.64Å; E20-K245 PolarHBondContact OE2-NZ 2.7Å
21	K	56.2	Low	58.4	Low	179 Å²	179	98 Å²	98	78%	0.778	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-59.6	132.9	-175.6	-68.4	-180	178.5	179.2	0	111.3	S19	S19-K21 PolarHBondContact O-N 3.13Å
22	P	59.5	Low	58.7	Low	34 Å²	34	97.6 Å²	97.6	22%	0.221	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-64.8	149.9	177.8	26.4	-33.2	0	0	0	111.2	E13	E13-P22 HydrophobicContact CG-CG 4.31Å
23	L	59.9	Low	59	Low	34 Å²	34	101 Å²	101	18%	0.178	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-71.1	140.4	175.2	-87.7	128.2	0	0	0	110.9	A25 H31 F243 E244	L23-A25 PolarHBondContact O-N 3.39Å; L23-H31 WeakPolarHBondContact CD2-CD2 3.47Å; L23-H31 WeakPolarHBondContact CD2-NE2 3.42Å; L23-F243 VanDerWaalsContact CD1-O 3.24Å; L23-F243 WeakPolarHBondContact CD1-O 3.48Å; L23-E244 PolarHBondContact N-O 2.87Å
24	A	55.8	Low	59.6	Low	65 Å²	65	102 Å²	102	54%	0.537	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-56.4	137	-176.6	0	0	0	0	0	112.1	K26	A24-K26 PolarHBondContact O-N 3.2Å
25	A	53.8	Low	60.2	Low	41 Å²	41	94.9 Å²	94.9	34%	0.339	49%	0.49	S	S	.	.	S	Bend	trans	-62.3	-14.2	-176.9	0	0	0	0	0	115.8	L23	L23-A25 PolarHBondContact O-N 3.39Å
26	K	57.6	Low	60.8	Low	188 Å²	188	89.5 Å²	89.5	82%	0.817	47%	0.468	S	S	*	.	S	Bend	trans	-106	113.9	169.1	-71.2	-177.8	178.3	179.5	0	108.2	A24 S28	A24-K26 PolarHBondContact O-N 3.2Å; K26-S28 PolarHBondContact O-N 3.34Å
27	L	57.9	Low	61.5	Low	44 Å²	44	90.9 Å²	90.9	23%	0.23	48%	0.475	C	S	.	.			trans	-60.9	103.5	174.1	-95.2	76.3	0	0	0	109.4	H31 L32 L35	L27-H31 HydrophobicContact CG-CB 4.33Å; L27-L32 HydrophobicContact CD2-CB 4.1Å; L27-L32 HydrophobicContact CD2-CD1 4.41Å; L27-L32 HydrophobicContact CD2-CG 4.4Å; L27-L35 HydrophobicContact CD2-CB 4.33Å; L27-L35 HydrophobicContact CD2-CD1 3.92Å
28	S	65.4	Low	62.5	Low	65 Å²	65	86.8 Å²	86.8	46%	0.455	45%	0.449	S	S	.	.			trans	-60.4	154.5	161.3	179.4	0	0	0	0	109.4	K26 K30 H31 L32	K26-S28 PolarHBondContact O-N 3.34Å; S28-K30 PolarHBondContact O-N 3.05Å; S28-K30 VanDerWaalsContact O-N 3.09Å; S28-H31 WeakPolarHBondContact CB-ND1 3.42Å; S28-H31 WeakPolarHBondContact O-CA 3.48Å; S28-H31 WeakPolarHBondContact O-CB 3.35Å; S28-H31 PolarHBondContact O-N 3.18Å; S28-L32 PolarHBondContact O-N 3.3Å
29	V	63.3	Low	63.5	Low	120 Å²	120	76.4 Å²	76.4	73%	0.727	40%	0.404	S	S	*	.	H	α-helix	trans	-52.4	-37	-179	-178.9	0	0	0	0	111.9	L32 L33	V29-L32 PolarHBondContact O-N 3.06Å; V29-L33 PolarHBondContact O-N 3.5Å
30	K	70	Confident	64.3	Low	176 Å²	176	74.6 Å²	74.6	77%	0.765	39%	0.39	S	S	*	.	H	α-helix	trans	-64.1	-41.2	174.7	-65.2	-173.8	178.5	-175.7	0	112.9	S28 L33 L34	S28-K30 PolarHBondContact O-N 3.05Å; S28-K30 VanDerWaalsContact O-N 3.09Å; K30-L33 PolarHBondContact O-N 2.95Å; K30-L34 WeakPolarHBondContact O-CB 3.47Å; K30-L34 PolarHBondContact O-N 3.11Å
31	H	68.6	Low	64.6	Low	60 Å²	60	69.9 Å²	69.9	28%	0.278	37%	0.367	S	S	.	.	H	α-helix	trans	-71.5	-32.6	177.5	-62.6	120.2	0	0	0	111.9	L23 L27 S28 L34 L35	L23-H31 WeakPolarHBondContact CD2-CD2 3.47Å; L23-H31 WeakPolarHBondContact CD2-NE2 3.42Å; L27-H31 HydrophobicContact CG-CB 4.33Å; S28-H31 WeakPolarHBondContact CB-ND1 3.42Å; S28-H31 WeakPolarHBondContact O-CA 3.48Å; S28-H31 WeakPolarHBondContact O-CB 3.35Å; S28-H31 PolarHBondContact O-N 3.18Å; H31-L34 PolarHBondContact O-N 2.8Å; H31-L35 WeakPolarHBondContact O-CB 3.26Å; H31-L35 PolarHBondContact O-N 3.48Å
32	L	67.3	Low	64.9	Low	54 Å²	54	64.9 Å²	64.9	28%	0.283	35%	0.346	S	S	.	.	H	α-helix	trans	-67.7	-40.3	173.7	-170.1	138.5	0	0	0	111.8	L27 S28 V29 L35 I36	L27-L32 HydrophobicContact CD2-CB 4.1Å; L27-L32 HydrophobicContact CD2-CD1 4.41Å; L27-L32 HydrophobicContact CD2-CG 4.4Å; S28-L32 PolarHBondContact O-N 3.3Å; V29-L32 PolarHBondContact O-N 3.06Å; L32-L35 WeakPolarHBondContact O-CB 3.44Å; L32-L35 PolarHBondContact O-N 3.05Å; L32-I36 HydrophobicContact CD2-CD1 3.62Å; L32-I36 HydrophobicContact CG-CD1 4.48Å; L32-I36 VanDerWaalsContact O-CG1 3.27Å; L32-I36 WeakPolarHBondContact O-CG1 3.38Å; L32-I36 PolarHBondContact O-N 3.49Å
33	L	67.2	Low	65	Low	113 Å²	113	64.6 Å²	64.6	59%	0.592	35%	0.346	S	S	*	.	H	α-helix	trans	-67.1	-42.9	174.4	-159.3	151.2	0	0	0	111.3	V29 K30 L35 I36 V37	V29-L33 PolarHBondContact O-N 3.5Å; K30-L33 PolarHBondContact O-N 2.95Å; L33-L35 VanDerWaalsContact C-N 3.29Å; L33-L35 PolarHBondContact O-N 3.36Å; L33-I36 PolarHBondContact O-N 3.07Å; L33-V37 HydrophobicContact CD2-CG2 4.21Å; L33-V37 WeakPolarHBondContact O-CG2 3.23Å; L33-V37 PolarHBondContact O-N 2.86Å
34	L	73.1	Confident	65.4	Low	66 Å²	66	65 Å²	65	35%	0.346	35%	0.35	S	S	.	.	H	α-helix	trans	-59.6	-40.3	172.7	-177.5	66.8	0	0	0	112.1	K30 H31 V37 R38 F243	K30-L34 WeakPolarHBondContact O-CB 3.47Å; K30-L34 PolarHBondContact O-N 3.11Å; H31-L34 PolarHBondContact O-N 2.8Å; L34-V37 PolarHBondContact O-N 3.06Å; L34-R38 WeakPolarHBondContact O-CG 2.98Å; L34-R38 PolarHBondContact O-N 3.44Å; L34-F243 HydrophobicContact CG-CE2 4.35Å
35	L	72.6	Confident	65.8	Low	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-64.7	-43.8	177.3	-175.6	135.3	0	0	0	111.6	L27 H31 L32 L33 V37 R38 L39 P94 M240 F243	L27-L35 HydrophobicContact CD2-CB 4.33Å; L27-L35 HydrophobicContact CD2-CD1 3.92Å; H31-L35 WeakPolarHBondContact O-CB 3.26Å; H31-L35 PolarHBondContact O-N 3.48Å; L32-L35 WeakPolarHBondContact O-CB 3.44Å; L32-L35 PolarHBondContact O-N 3.05Å; L33-L35 VanDerWaalsContact C-N 3.29Å; L33-L35 PolarHBondContact O-N 3.36Å; L35-V37 VanDerWaalsContact C-N 3.35Å; L35-V37 PolarHBondContact O-N 3.46Å; L35-R38 PolarHBondContact O-N 3.21Å; L35-L39 HydrophobicContact CD2-CD1 3.4Å; L35-L39 VanDerWaalsContact CD2-CD1 3.4Å; L35-L39 HydrophobicContact CD2-CG 4.14Å; L35-L39 HydrophobicContact CG-CD1 4.27Å; L35-L39 WeakPolarHBondContact O-CB 3.38Å; L35-L39 VanDerWaalsContact O-CG 3.31Å; L35-L39 WeakPolarHBondContact O-CG 3.46Å; L35-L39 PolarHBondContact O-N 2.7Å; L35-P94 HydrophobicContact CD2-CB 3.77Å; L35-P94 HydrophobicContact CD2-CG 4.07Å; L35-M240 HydrophobicContact CD1-CE 3.53Å; L35-M240 HydrophobicContact CD1-SD 3.65Å; L35-M240 HydrophobicContact CD2-CE 4.28Å; L35-M240 HydrophobicContact CG-CE 4.43Å; L35-F243 HydrophobicContact CB-CD2 4.48Å; L35-F243 HydrophobicContact CB-CE1 4.2Å; L35-F243 HydrophobicContact CB-CE2 3.77Å; L35-F243 HydrophobicContact CB-CZ 3.61Å; L35-F243 HydrophobicContact CD1-CD1 3.66Å; L35-F243 HydrophobicContact CD1-CD2 4.24Å; L35-F243 HydrophobicContact CD1-CE1 3.63Å; L35-F243 HydrophobicContact CD1-CE2 4.2Å; L35-F243 HydrophobicContact CD1-CG 3.99Å; L35-F243 HydrophobicContact CD1-CZ 3.91Å; L35-F243 HydrophobicContact CG-CD2 4.43Å; L35-F243 HydrophobicContact CG-CE1 4.41Å; L35-F243 HydrophobicContact CG-CE2 4.2Å; L35-F243 HydrophobicContact CG-CZ 4.19Å
36	I	70.4	Confident	66	Low	45 Å²	45	63 Å²	63	23%	0.231	32%	0.323	C	S	.	.	H	α-helix	trans	-62	-44.1	176.3	-68.5	165.6	0	0	0	110.6	L32 L33 R38 L39 V40 F97	L32-I36 HydrophobicContact CD2-CD1 3.62Å; L32-I36 HydrophobicContact CG-CD1 4.48Å; L32-I36 VanDerWaalsContact O-CG1 3.27Å; L32-I36 WeakPolarHBondContact O-CG1 3.38Å; L32-I36 PolarHBondContact O-N 3.49Å; L33-I36 PolarHBondContact O-N 3.07Å; I36-R38 PolarHBondContact O-N 3.46Å; I36-L39 PolarHBondContact O-N 2.97Å; I36-V40 VanDerWaalsContact O-CG2 3.31Å; I36-V40 WeakPolarHBondContact O-CG2 3.17Å; I36-V40 PolarHBondContact O-N 3.2Å; I36-F97 HydrophobicContact CD1-CE2 4.31Å; I36-F97 HydrophobicContact CD1-CZ 4.41Å; I36-F97 HydrophobicContact CG1-CE2 4.5Å; I36-F97 HydrophobicContact CG2-CD1 4.45Å; I36-F97 HydrophobicContact CG2-CE1 4.13Å; I36-F97 HydrophobicContact CG2-CZ 4.49Å
37	V	69.1	Low	66	Low	58 Å²	58	54.5 Å²	54.5	35%	0.352	29%	0.286	S	S	.	.	H	α-helix	trans	-60.6	-45.9	175.6	172.6	0	0	0	0	110.6	L33 L34 L35 L39 V40 F41	L33-V37 HydrophobicContact CD2-CG2 4.21Å; L33-V37 WeakPolarHBondContact O-CG2 3.23Å; L33-V37 PolarHBondContact O-N 2.86Å; L34-V37 PolarHBondContact O-N 3.06Å; L35-V37 VanDerWaalsContact C-N 3.35Å; L35-V37 PolarHBondContact O-N 3.46Å; V37-L39 PolarHBondContact O-N 3.26Å; V37-V40 PolarHBondContact O-N 3.35Å; V37-F41 HydrophobicContact CG1-CD2 3.87Å; V37-F41 HydrophobicContact CG1-CE2 4.28Å; V37-F41 WeakPolarHBondContact O-CD2 3.23Å; V37-F41 PolarHBondContact O-N 3.46Å; V37-F41 VanDerWaalsContact O-N 3.08Å
38	R	69.8	Low	66	Low	56 Å²	56	57 Å²	57	21%	0.211	30%	0.298	C	S	.	.	H	α-helix	trans	-64.1	-40.5	177.9	-75	-170.7	-179.8	172.6	-1.6	113.1	L34 L35 I36 V40 F42 W121	L34-R38 WeakPolarHBondContact O-CG 2.98Å; L34-R38 PolarHBondContact O-N 3.44Å; L35-R38 PolarHBondContact O-N 3.21Å; I36-R38 PolarHBondContact O-N 3.46Å; R38-V40 VanDerWaalsContact C-N 3.33Å; R38-V40 PolarHBondContact O-N 2.64Å; R38-F42 HydrophobicContact CG-CD2 4.29Å; R38-F42 WeakPolarHBondContact O-CA 3.46Å; R38-F42 WeakPolarHBondContact O-CB 3.41Å; R38-F42 PolarHBondContact O-N 3.15Å; R38-W121 HydrophobicContact CB-CH2 4.45Å; R38-W121 HydrophobicContact CB-CZ3 4.46Å
39	L	70.6	Confident	65.6	Low	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.2	-41.5	176.2	-80.6	173.2	0	0	0	112.8	L35 I36 V37 F97 Y98 Q102 K124 F239	L35-L39 HydrophobicContact CD2-CD1 3.4Å; L35-L39 VanDerWaalsContact CD2-CD1 3.4Å; L35-L39 HydrophobicContact CD2-CG 4.14Å; L35-L39 HydrophobicContact CG-CD1 4.27Å; L35-L39 WeakPolarHBondContact O-CB 3.38Å; L35-L39 VanDerWaalsContact O-CG 3.31Å; L35-L39 WeakPolarHBondContact O-CG 3.46Å; L35-L39 PolarHBondContact O-N 2.7Å; I36-L39 PolarHBondContact O-N 2.97Å; V37-L39 PolarHBondContact O-N 3.26Å; L39-F97 HydrophobicContact CD1-CB 3.81Å; L39-Y98 HydrophobicContact CD2-CD2 3.54Å; L39-Y98 HydrophobicContact CD2-CG 4.2Å; L39-Q102 HydrophobicContact CD2-CG 4.21Å; L39-Q102 PolarHBondContact O-NE2 3Å; L39-K124 PolarHBondContact O-NZ 3.22Å; L39-K124 VanDerWaalsContact O-NZ 3.14Å; L39-F239 HydrophobicContact CB-CZ 4.43Å; L39-F239 HydrophobicContact CD2-CD1 3.99Å; L39-F239 HydrophobicContact CD2-CD2 4.26Å; L39-F239 HydrophobicContact CD2-CE1 3.42Å; L39-F239 VanDerWaalsContact CD2-CE1 3.42Å; L39-F239 HydrophobicContact CD2-CE2 3.73Å; L39-F239 HydrophobicContact CD2-CG 4.41Å; L39-F239 HydrophobicContact CD2-CZ 3.3Å; L39-F239 HydrophobicContact CG-CE1 3.84Å; L39-F239 HydrophobicContact CG-CE2 4.41Å; L39-F239 HydrophobicContact CG-CZ 3.62Å
40	V	65.6	Low	65.4	Low	41 Å²	41	54.4 Å²	54.4	25%	0.248	27%	0.271	C	S	.	.	H	α-helix	trans	-73.8	-42.6	-177.4	174.4	0	0	0	0	111.4	I36 V37 R38 T101	I36-V40 VanDerWaalsContact O-CG2 3.31Å; I36-V40 WeakPolarHBondContact O-CG2 3.17Å; I36-V40 PolarHBondContact O-N 3.2Å; V37-V40 PolarHBondContact O-N 3.35Å; R38-V40 VanDerWaalsContact C-N 3.33Å; R38-V40 PolarHBondContact O-N 2.64Å; V40-T101 HydrophobicContact CG2-CG2 4.21Å
41	F	62.1	Low	64.9	Low	29 Å²	29	48.8 Å²	48.8	13%	0.127	25%	0.248	C	C	.	.	H	α-helix	trans	-105.9	-21.5	-167.1	-63	-68.5	0	0	0	116	V37 K124 L131 W132 L135	V37-F41 HydrophobicContact CG1-CD2 3.87Å; V37-F41 HydrophobicContact CG1-CE2 4.28Å; V37-F41 WeakPolarHBondContact O-CD2 3.23Å; V37-F41 PolarHBondContact O-N 3.46Å; V37-F41 VanDerWaalsContact O-N 3.08Å; F41-K124 PolarHBondContact O-N 3.27Å; F41-L131 HydrophobicContact CD1-CB 3.89Å; F41-L131 HydrophobicContact CE1-CB 4.4Å; F41-W132 HydrophobicContact CD1-CB 3.91Å; F41-W132 HydrophobicContact CE1-CB 4.15Å; F41-W132 HydrophobicContact CG-CB 4.43Å; F41-L135 HydrophobicContact CE1-CB 3.89Å; F41-L135 HydrophobicContact CE1-CD1 4.02Å; F41-L135 HydrophobicContact CE1-CG 4.43Å; F41-L135 HydrophobicContact CZ-CB 3.9Å; F41-L135 HydrophobicContact CZ-CD1 3.66Å; F41-L135 HydrophobicContact CZ-CD2 4.1Å; F41-L135 HydrophobicContact CZ-CG 4.05Å
42	F	63.3	Low	64.4	Low	74 Å²	74	51.8 Å²	51.8	33%	0.325	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.4	-170.5	-60.6	-94.3	0	0	0	111.8	R38 Q102 W121 T122	R38-F42 HydrophobicContact CG-CD2 4.29Å; R38-F42 WeakPolarHBondContact O-CA 3.46Å; R38-F42 WeakPolarHBondContact O-CB 3.41Å; R38-F42 PolarHBondContact O-N 3.15Å; F42-Q102 PolarHBondContact O-NE2 3.31Å; F42-W121 HydrophobicContact CB-CB 4.38Å; F42-W121 HydrophobicContact CB-CD2 4.28Å; F42-W121 HydrophobicContact CB-CE3 3.54Å; F42-W121 HydrophobicContact CB-CZ3 4.2Å; F42-W121 HydrophobicContact CD1-CB 3.97Å; F42-T122 CarbonylContact C-O 3.52Å; F42-T122 VanDerWaalsContact CA-O 3.29Å; F42-T122 WeakPolarHBondContact CA-O 3.45Å
43	A	62.5	Low	64.3	Low	28 Å²	28	51.6 Å²	51.6	23%	0.231	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	135.5	168.7	0	0	0	0	0	109.3	T122 K124	A43-T122 PolarHBondContact N-O 2.91Å; A43-T122 PolarHBondContact O-N 3.13Å; A43-T122 PolarHBondContact O-OG1 2.92Å; A43-K124 HydrophobicContact CB-CG 4.31Å
44	P	67.3	Low	64	Low	41 Å²	41	53.5 Å²	53.5	27%	0.266	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	131.7	176.3	31.8	-35.4	0	0	0	109.6	W121 F239 V242	P44-W121 HydrophobicContact CB-CZ3 4.23Å; P44-F239 HydrophobicContact CB-CD2 4.24Å; P44-F239 HydrophobicContact CG-CB 4.32Å; P44-F239 HydrophobicContact CG-CD2 3.75Å; P44-V242 HydrophobicContact CB-CB 4.22Å; P44-V242 HydrophobicContact CB-CG1 4.34Å; P44-V242 HydrophobicContact CB-CG2 4.13Å
45	V	63.5	Low	63.8	Low	22 Å²	22	50.8 Å²	50.8	13%	0.133	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-99.4	124.1	168.4	-178	0	0	0	0	108.6	T47 N120 T122	V45-T47 HydrophobicContact CG1-CG2 4.18Å; V45-T47 PolarHBondContact O-N 3.4Å; V45-N120 PolarHBondContact N-O 2.65Å; V45-N120 VanDerWaalsContact N-O 3.08Å; V45-T122 HydrophobicContact CG2-CG2 3.51Å
46	W	57.9	Low	63.9	Low	44 Å²	44	51.8 Å²	51.8	17%	0.167	26%	0.258	C	S	.	.			trans	-82.7	93	179	-165	-98.2	0	0	0	110.2	K238 E241 V242	W46-K238 HydrophobicContact CE3-CB 4.12Å; W46-K238 HydrophobicContact CE3-CG 4.38Å; W46-K238 HydrophobicContact CH2-CG 4.48Å; W46-K238 HydrophobicContact CZ3-CB 3.94Å; W46-K238 HydrophobicContact CZ3-CG 4.1Å; W46-E241 HydrophobicContact CH2-CB 4.27Å; W46-E241 WeakPolarHBondContact CH2-OE2 3.39Å; W46-E241 HydrophobicContact CZ3-CB 4.12Å; W46-V242 HydrophobicContact CE3-CG2 4.07Å; W46-V242 HydrophobicContact CZ3-CG2 4.16Å
47	T	59.6	Low	64.3	Low	8 Å²	8	51.2 Å²	51.2	5%	0.049	25%	0.253	C	S	.	.			trans	-86.9	155.3	179.5	58.2	0	0	0	0	112.4	V45 E49 N50 Q51 T117 N120	V45-T47 HydrophobicContact CG1-CG2 4.18Å; V45-T47 PolarHBondContact O-N 3.4Å; T47-E49 PolarHBondContact O-N 2.92Å; T47-N50 WeakPolarHBondContact O-CB 3.49Å; T47-N50 PolarHBondContact O-N 3.01Å; T47-N50 PolarHBondContact OG1-ND2 3.01Å; T47-Q51 PolarHBondContact O-N 2.91Å; T47-T117 VanDerWaalsContact CG2-O 3.29Å; T47-T117 WeakPolarHBondContact CG2-O 3.4Å; T47-N120 PolarHBondContact OG1-OD1 3.09Å; T47-N120 VanDerWaalsContact OG1-OD1 3.05Å
48	M	56.3	Low	64.9	Low	97 Å²	97	50.8 Å²	50.8	48%	0.478	25%	0.247	S	C	.	.	H	α-helix	trans	-56	-31.7	173.8	-77.1	-71.6	-178.9	0	0	112.5	N50 Q51 N52 V114	M48-N50 VanDerWaalsContact C-N 3.33Å; M48-N50 PolarHBondContact O-N 3.28Å; M48-Q51 WeakPolarHBondContact O-CB 3.39Å; M48-Q51 PolarHBondContact O-N 2.79Å; M48-Q51 VanDerWaalsContact O-N 3.1Å; M48-Q51 PolarHBondContact SD-OE1 3.29Å; M48-Q51 VanDerWaalsContact SD-OE1 3.42Å; M48-N52 PolarHBondContact O-N 3.38Å; M48-V114 HydrophobicContact CE-CG1 4.01Å; M48-V114 HydrophobicContact CG-CG1 3.89Å; M48-V114 HydrophobicContact SD-CG1 4.47Å
49	E	58	Low	65.5	Low	125 Å²	125	48.6 Å²	48.6	58%	0.584	24%	0.239	S	C	*	.	H	α-helix	trans	-66.9	-32.6	177	-159.8	179.7	-162.2	0	0	112.4	T47 Q51 N52 R53	T47-E49 PolarHBondContact O-N 2.92Å; E49-Q51 VanDerWaalsContact C-N 3.29Å; E49-Q51 PolarHBondContact O-N 3.41Å; E49-N52 PolarHBondContact O-N 3.36Å; E49-R53 WeakPolarHBondContact O-CG 3.37Å
50	N	59.4	Low	66.1	Low	5 Å²	5	51.2 Å²	51.2	3%	0.027	25%	0.25	C	C	.	.	H	α-helix	trans	-69.4	-27.5	172.5	-68.9	-36.9	0	0	0	112.2	T47 M48 R53 N120 R247	T47-N50 WeakPolarHBondContact O-CB 3.49Å; T47-N50 PolarHBondContact O-N 3.01Å; T47-N50 PolarHBondContact OG1-ND2 3.01Å; M48-N50 VanDerWaalsContact C-N 3.33Å; M48-N50 PolarHBondContact O-N 3.28Å; N50-R53 PolarHBondContact OD1-NE 3.01Å; N50-R53 PolarHBondContact OD1-NH1 3.11Å; N50-R53 PolarHBondContact OD1-NH2 3.44Å; N50-N120 PolarHBondContact ND2-OD1 3.19Å; N50-N120 VanDerWaalsContact ND2-OD1 3.12Å; N50-R247 PolarHBondContact O-NE 3.29Å
51	Q	58.8	Low	67.1	Low	59 Å²	59	49.5 Å²	49.5	28%	0.276	24%	0.239	S	C	.	.	H	α-helix	trans	-68.6	-38.6	177	-62.7	-174.2	-5.7	0	0	112.1	T47 M48 E49 R247	T47-Q51 PolarHBondContact O-N 2.91Å; M48-Q51 WeakPolarHBondContact O-CB 3.39Å; M48-Q51 PolarHBondContact O-N 2.79Å; M48-Q51 VanDerWaalsContact O-N 3.1Å; M48-Q51 PolarHBondContact SD-OE1 3.29Å; M48-Q51 VanDerWaalsContact SD-OE1 3.42Å; E49-Q51 VanDerWaalsContact C-N 3.29Å; E49-Q51 PolarHBondContact O-N 3.41Å; Q51-R247 PolarHBondContact O-NE 3.26Å; Q51-R247 PolarHBondContact O-NH2 3.49Å
52	N	57.4	Low	68.2	Low	122 Å²	122	53.2 Å²	53.2	65%	0.652	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	11	-173.4	-68.8	-14.3	0	0	0	114.8	M48 E49 H54	M48-N52 PolarHBondContact O-N 3.38Å; E49-N52 PolarHBondContact O-N 3.36Å; N52-H54 PolarHBondContact O-N 3.41Å
53	R	65.3	Low	69.3	Low	51 Å²	51	49.7 Å²	49.7	19%	0.192	25%	0.245	C	C	.	.			trans	-71.8	121.9	176.4	-66.5	-171.6	176	158	1.6	111.4	E49 N50 N55 R247	E49-R53 WeakPolarHBondContact O-CG 3.37Å; N50-R53 PolarHBondContact OD1-NE 3.01Å; N50-R53 PolarHBondContact OD1-NH1 3.11Å; N50-R53 PolarHBondContact OD1-NH2 3.44Å; R53-N55 VanDerWaalsContact C-N 3.33Å; R53-N55 PolarHBondContact O-N 3.2Å; R53-R247 HydrophobicContact CB-CG 4.32Å; R53-R247 WeakPolarHBondContact O-CG 3.3Å
54	H	61.4	Low	70.4	Confident	153 Å²	153	49.1 Å²	49.1	71%	0.708	24%	0.239	S	C	*	.			trans	-73.2	-20.9	179.2	-60.7	-77.9	0	0	0	114	I12 N52 V56	I12-H54 HydrophobicContact CG2-CB 4.36Å; I12-H54 WeakPolarHBondContact CG2-O 3.42Å; N52-H54 PolarHBondContact O-N 3.41Å; H54-V56 PolarHBondContact O-N 3.1Å
55	N	69.1	Low	71.2	Confident	8 Å²	8	47.1 Å²	47.1	4%	0.043	23%	0.226	C	C	.	.			trans	-74.7	108.2	-179.8	-67.9	-24.6	0	0	0	111	I12 E13 S16 R53 R246 R247	I12-N55 PolarHBondContact O-OD1 2.99Å; E13-N55 HydrophobicContact CG-CB 4.34Å; S16-N55 PolarHBondContact OG-ND2 3.29Å; S16-N55 PolarHBondContact OG-OD1 2.8Å; R53-N55 VanDerWaalsContact C-N 3.33Å; R53-N55 PolarHBondContact O-N 3.2Å; N55-R246 HydrophobicContact CB-CB 4.25Å; N55-R247 PolarHBondContact O-N 2.88Å
56	V	74.6	Confident	72	Confident	21 Å²	21	53.7 Å²	53.7	13%	0.127	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.3	-178.6	-173.7	0	0	0	0	111.3	S9 H54 F58 R247 R249	S9-V56 WeakPolarHBondContact CB-O 3.24Å; H54-V56 PolarHBondContact O-N 3.1Å; V56-F58 HydrophobicContact CB-CE2 4.21Å; V56-F58 HydrophobicContact CB-CZ 4.18Å; V56-F58 HydrophobicContact CG1-CD1 4.3Å; V56-F58 HydrophobicContact CG1-CD2 4.4Å; V56-F58 HydrophobicContact CG1-CE1 3.82Å; V56-F58 HydrophobicContact CG1-CE2 3.93Å; V56-F58 HydrophobicContact CG1-CZ 3.63Å; V56-R247 CarbonylContact C-O 3.58Å; V56-R247 WeakPolarHBondContact CA-O 3.46Å; V56-R247 HydrophobicContact CB-CB 4.46Å; V56-R247 HydrophobicContact CG1-CB 4.47Å; V56-R247 HydrophobicContact CG2-CB 4.04Å; V56-R249 HydrophobicContact CG1-CB 4.13Å; V56-R249 HydrophobicContact CG1-CG 3.85Å
57	R	79.6	Confident	72.9	Confident	33 Å²	33	57.2 Å²	57.2	13%	0.125	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.6	167.5	175	175.1	177.5	-166.7	5.4	110	E244 R247 I248 R249	R57-E244 IonicContact NH1-OE1 2.73Å; R57-E244 PolarHBondContact NH1-OE1 2.96Å; R57-E244 IonicContact NH1-OE2 3.05Å; R57-E244 PolarHBondContact NH1-OE2 3.13Å; R57-R247 PolarHBondContact N-O 2.93Å; R57-I248 WeakPolarHBondContact O-CA 3.5Å; R57-R249 PolarHBondContact O-N 3.47Å
58	F	81.3	Confident	73.7	Confident	50 Å²	50	58.2 Å²	58.2	22%	0.219	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128	177.3	-63.5	-79.5	0	0	0	111.9	V56 Y60 R249 V251	V56-F58 HydrophobicContact CB-CE2 4.21Å; V56-F58 HydrophobicContact CB-CZ 4.18Å; V56-F58 HydrophobicContact CG1-CD1 4.3Å; V56-F58 HydrophobicContact CG1-CD2 4.4Å; V56-F58 HydrophobicContact CG1-CE1 3.82Å; V56-F58 HydrophobicContact CG1-CE2 3.93Å; V56-F58 HydrophobicContact CG1-CZ 3.63Å; F58-Y60 HydrophobicContact CB-CE2 3.95Å; F58-R249 CarbonylContact C-O 3.6Å; F58-R249 WeakPolarHBondContact CA-O 3.31Å; F58-R249 HydrophobicContact CD1-CB 4.04Å; F58-R249 HydrophobicContact CE1-CB 4.13Å; F58-V251 HydrophobicContact CB-CG2 4.43Å; F58-V251 HydrophobicContact CD1-CG2 3.84Å
59	L	82.5	Confident	74.4	Confident	9 Å²	9	55.6 Å²	55.6	5%	0.047	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	114.9	172.2	171.7	53.5	0	0	0	110.3	V61 A85 M86 N89 F90 R249 I250 V251	L59-V61 HydrophobicContact CG-CG2 4.31Å; L59-A85 HydrophobicContact CD1-CB 4.46Å; L59-A85 HydrophobicContact CD2-CB 4.45Å; L59-M86 HydrophobicContact CD2-CE 3.53Å; L59-M86 HydrophobicContact CD2-SD 3.72Å; L59-N89 HydrophobicContact CD1-CB 4.36Å; L59-N89 VanDerWaalsContact CD1-CG 3.49Å; L59-N89 WeakPolarHBondContact CD1-ND2 3.29Å; L59-F90 HydrophobicContact CD2-CE2 4.44Å; L59-R249 PolarHBondContact N-O 3.2Å; L59-I250 HydrophobicContact CD2-CG1 4.43Å; L59-I250 CarbonylContact O-C 3.52Å; L59-I250 WeakPolarHBondContact O-CA 3.45Å; L59-V251 PolarHBondContact O-N 3.26Å
60	Y	83.6	Confident	75	Confident	56 Å²	56	53.7 Å²	53.7	22%	0.22	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	124.9	179.5	-73.5	-81.8	0	0	0	113.1	M1 G2 T5 F58 V251	M1-Y60 HydrophobicContact CG-CE1 4.47Å; G2-Y60 VanDerWaalsContact CA-CE2 3.5Å; G2-Y60 VanDerWaalsContact CA-CZ 3.5Å; T5-Y60 VanDerWaalsContact CB-OH 3.23Å; T5-Y60 WeakPolarHBondContact CB-OH 3.24Å; T5-Y60 WeakPolarHBondContact CG2-OH 3.42Å; T5-Y60 VanDerWaalsContact OG1-CE2 3.26Å; T5-Y60 WeakPolarHBondContact OG1-CE2 3.4Å; T5-Y60 VanDerWaalsContact OG1-CZ 3.26Å; T5-Y60 PolarHBondContact OG1-OH 3.37Å; F58-Y60 HydrophobicContact CB-CE2 3.95Å; Y60-V251 HydrophobicContact CD1-CB 3.89Å; Y60-V251 HydrophobicContact CD1-CG1 4.09Å; Y60-V251 HydrophobicContact CE1-CB 3.85Å; Y60-V251 HydrophobicContact CE1-CG1 3.85Å; Y60-V251 HydrophobicContact CE1-CG2 4.17Å
61	V	86	Confident	75.7	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.03	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	115.2	174.5	-173.7	0	0	0	0	108.9	L59 R81 L82 A85 I250 V251 L252 K253	L59-V61 HydrophobicContact CG-CG2 4.31Å; V61-R81 HydrophobicContact CG1-CB 3.93Å; V61-L82 HydrophobicContact CB-CD2 4.41Å; V61-L82 HydrophobicContact CG1-CD2 4.29Å; V61-L82 HydrophobicContact CG2-CD2 4.15Å; V61-A85 HydrophobicContact CB-CB 4.39Å; V61-A85 HydrophobicContact CG1-CB 4.29Å; V61-A85 HydrophobicContact CG2-CB 3.4Å; V61-I250 HydrophobicContact CB-CG2 4.48Å; V61-I250 HydrophobicContact CG2-CG2 3.68Å; V61-V251 PolarHBondContact N-O 3.28Å; V61-L252 HydrophobicContact CB-CD1 4.01Å; V61-L252 HydrophobicContact CG1-CD1 3.81Å; V61-L252 CarbonylContact O-C 3.5Å; V61-L252 WeakPolarHBondContact O-CA 3.42Å; V61-K253 PolarHBondContact O-N 3Å
62	N	85.3	Confident	76.2	Confident	106 Å²	106	56.3 Å²	56.3	57%	0.567	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	117.7	177.1	-65.5	-47.9	0	0	0	109.9
63	F	87.1	Confident	77	Confident	1 Å²	1	52.9 Å²	52.9	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	118.2	171	177.5	-94.7	0	0	0	109.2	A65 F68 L74 G77 I78 R81 L252 K253 I254 T255	F63-A65 HydrophobicContact CE1-CB 4.17Å; F63-F68 HydrophobicContact CD2-CD2 4.14Å; F63-F68 AromaticContact CD2-CE2 3.96Å; F63-F68 HydrophobicContact CD2-CE2 3.96Å; F63-F68 AromaticContact CE2-CD2 3.41Å; F63-F68 HydrophobicContact CE2-CD2 3.41Å; F63-F68 VanDerWaalsContact CE2-CD2 3.41Å; F63-F68 AromaticContact CE2-CE2 3.62Å; F63-F68 HydrophobicContact CE2-CE2 3.62Å; F63-F68 HydrophobicContact CE2-CG 4.29Å; F63-F68 HydrophobicContact CZ-CD2 4.07Å; F63-L74 WeakPolarHBondContact CZ-O 3.22Å; F63-G77 VanDerWaalsContact CE2-C 3.46Å; F63-I78 HydrophobicContact CD1-CD1 4.5Å; F63-I78 HydrophobicContact CD1-CG1 3.92Å; F63-I78 HydrophobicContact CD2-CG1 3.83Å; F63-I78 HydrophobicContact CE1-CD1 4.34Å; F63-I78 HydrophobicContact CE1-CG1 3.88Å; F63-I78 HydrophobicContact CE2-CG1 3.8Å; F63-I78 HydrophobicContact CG-CG1 3.9Å; F63-I78 HydrophobicContact CZ-CG1 3.82Å; F63-R81 HydrophobicContact CD2-CG 4.11Å; F63-L252 HydrophobicContact CB-CD1 4.11Å; F63-K253 PolarHBondContact N-O 3.4Å; F63-I254 HydrophobicContact CB-CG1 4.48Å; F63-I254 HydrophobicContact CD1-CB 4.46Å; F63-I254 HydrophobicContact CD1-CG1 4.16Å; F63-I254 HydrophobicContact CD1-CG2 4.06Å; F63-I254 HydrophobicContact CE1-CG2 4.49Å; F63-I254 CarbonylContact O-C 3.51Å; F63-I254 WeakPolarHBondContact O-CA 3.29Å; F63-T255 PolarHBondContact O-N 2.93Å
64	S	84.9	Confident	77.8	Confident	15 Å²	15	50.5 Å²	50.5	11%	0.105	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.8	169.8	172.5	0	0	0	0	107.7	W66 H67 T255 N256	S64-W66 PolarHBondContact O-N 3.42Å; S64-W66 VanDerWaalsContact O-N 3.15Å; S64-H67 PolarHBondContact O-N 2.84Å; S64-H67 VanDerWaalsContact O-N 3.1Å; S64-T255 WeakPolarHBondContact CB-OG1 3.36Å; S64-N256 PolarHBondContact OG-ND2 2.84Å
65	A	83.1	Confident	78.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-61.1	-24.3	-178.7	0	0	0	0	0	112	F63 H67 F68 A69 T255 L257 C260	F63-A65 HydrophobicContact CE1-CB 4.17Å; A65-H67 VanDerWaalsContact C-N 3.33Å; A65-H67 PolarHBondContact O-N 3.24Å; A65-F68 CarbonylContact O-C 3.56Å; A65-F68 PolarHBondContact O-N 2.69Å; A65-F68 VanDerWaalsContact O-N 3.17Å; A65-A69 PolarHBondContact O-N 3.44Å; A65-A69 VanDerWaalsContact O-N 3.09Å; A65-T255 PolarHBondContact N-O 2.89Å; A65-L257 HydrophobicContact CB-CD1 4.39Å; A65-C260 VanDerWaalsContact CB-SG 3.57Å
66	W	80.3	Confident	79.3	Confident	159 Å²	159	43.8 Å²	43.8	60%	0.602	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-56.8	-41.2	173.6	-174.9	-97.7	0	0	0	113.4	S64 F68 A69	S64-W66 PolarHBondContact O-N 3.42Å; S64-W66 VanDerWaalsContact O-N 3.15Å; W66-F68 PolarHBondContact O-N 3.07Å; W66-F68 VanDerWaalsContact O-N 3.09Å; W66-A69 WeakPolarHBondContact O-CB 3.31Å; W66-A69 PolarHBondContact O-N 3.19Å; W66-A69 VanDerWaalsContact O-N 3.15Å
67	H	78.6	Confident	79.7	Confident	119 Å²	119	42.8 Å²	42.8	55%	0.551	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-62.4	-21.9	-178.8	-66.3	127	0	0	0	113.2	S64 A65	S64-H67 PolarHBondContact O-N 2.84Å; S64-H67 VanDerWaalsContact O-N 3.1Å; A65-H67 VanDerWaalsContact C-N 3.33Å; A65-H67 PolarHBondContact O-N 3.24Å
68	F	75.3	Confident	79.9	Confident	28 Å²	28	41.5 Å²	41.5	12%	0.123	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-116	9.3	-176.8	-63.6	-83.2	0	0	0	111.6	F63 A65 W66 G70 S71 L74 R81	F63-F68 HydrophobicContact CD2-CD2 4.14Å; F63-F68 AromaticContact CD2-CE2 3.96Å; F63-F68 HydrophobicContact CD2-CE2 3.96Å; F63-F68 AromaticContact CE2-CD2 3.41Å; F63-F68 HydrophobicContact CE2-CD2 3.41Å; F63-F68 VanDerWaalsContact CE2-CD2 3.41Å; F63-F68 AromaticContact CE2-CE2 3.62Å; F63-F68 HydrophobicContact CE2-CE2 3.62Å; F63-F68 HydrophobicContact CE2-CG 4.29Å; F63-F68 HydrophobicContact CZ-CD2 4.07Å; A65-F68 CarbonylContact O-C 3.56Å; A65-F68 PolarHBondContact O-N 2.69Å; A65-F68 VanDerWaalsContact O-N 3.17Å; W66-F68 PolarHBondContact O-N 3.07Å; W66-F68 VanDerWaalsContact O-N 3.09Å; F68-G70 PolarHBondContact O-N 3.19Å; F68-G70 VanDerWaalsContact O-N 3.11Å; F68-S71 WeakPolarHBondContact O-CB 3.49Å; F68-S71 PolarHBondContact O-N 3.11Å; F68-S71 PolarHBondContact O-OG 2.9Å; F68-L74 HydrophobicContact CB-CD2 3.59Å; F68-L74 WeakPolarHBondContact O-CD2 3.19Å; F68-R81 HydrophobicContact CE2-CG 4.17Å; F68-R81 HydrophobicContact CZ-CG 4.3Å
69	A	71.6	Confident	80.1	Confident	43 Å²	43	39.1 Å²	39.1	36%	0.355	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-34.4	-173.7	0	0	0	0	0	113.4	A65 W66 S71 K264	A65-A69 PolarHBondContact O-N 3.44Å; A65-A69 VanDerWaalsContact O-N 3.09Å; W66-A69 WeakPolarHBondContact O-CB 3.31Å; W66-A69 PolarHBondContact O-N 3.19Å; W66-A69 VanDerWaalsContact O-N 3.15Å; A69-S71 VanDerWaalsContact C-N 3.32Å; A69-K264 PolarHBondContact O-NZ 3.21Å
70	G	69.9	Low	80.1	Confident	84 Å²	84	39.9 Å²	39.9	87%	0.866	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-7.1	175.7	0	0	0	0	0	115.4	F68	F68-G70 PolarHBondContact O-N 3.19Å; F68-G70 VanDerWaalsContact O-N 3.11Å
71	S	73.8	Confident	80.2	Confident	17 Å²	17	41 Å²	41	12%	0.119	22%	0.222	C	C	.	.	S	Bend	trans	-92.7	149.2	174.4	69.4	0	0	0	0	111.3	F68 A69 M73 K264	F68-S71 WeakPolarHBondContact O-CB 3.49Å; F68-S71 PolarHBondContact O-N 3.11Å; F68-S71 PolarHBondContact O-OG 2.9Å; A69-S71 VanDerWaalsContact C-N 3.32Å; S71-M73 VanDerWaalsContact C-N 3.35Å; S71-K264 PolarHBondContact O-NZ 3.15Å
72	D	69.9	Low	80.2	Confident	102 Å²	102	41 Å²	41	55%	0.545	22%	0.221	S	C	.	.	S	Bend	trans	-74.4	-26.7	-179.8	-68.3	-33.3	0	0	0	112.8
73	M	75.1	Confident	80	Confident	50 Å²	50	35.9 Å²	35.9	25%	0.246	19%	0.194	C	C	.	.			trans	-119.6	82	-174.8	-60.6	-61.8	140.2	0	0	111.9	S71 W75 A76 M211	S71-M73 VanDerWaalsContact C-N 3.35Å; M73-W75 HydrophobicContact CB-CZ2 4.33Å; M73-W75 HydrophobicContact CG-CZ2 4.34Å; M73-W75 PolarHBondContact O-N 3.46Å; M73-W75 HydrophobicContact SD-CZ2 4.17Å; M73-W75 PolarHBondContact SD-NE1 3.34Å; M73-A76 HydrophobicContact CB-CB 4.28Å; M73-A76 PolarHBondContact O-N 2.87Å; M73-M211 HydrophobicContact CB-CG 4.3Å
74	L	80.4	Confident	79.9	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-57.6	-35	179.2	-66.7	-178.9	0	0	0	113.4	F63 F68 A76 G77 C260 K264 V268	F63-L74 WeakPolarHBondContact CZ-O 3.22Å; F68-L74 HydrophobicContact CB-CD2 3.59Å; F68-L74 WeakPolarHBondContact O-CD2 3.19Å; L74-A76 VanDerWaalsContact C-N 3.32Å; L74-A76 PolarHBondContact O-N 3.47Å; L74-G77 WeakPolarHBondContact O-CA 3.49Å; L74-G77 PolarHBondContact O-N 3.13Å; L74-G77 VanDerWaalsContact O-N 3.09Å; L74-C260 HydrophobicContact CD1-CB 3.89Å; L74-C260 WeakPolarHBondContact CD1-SG 3.49Å; L74-K264 HydrophobicContact CD1-CB 3.64Å; L74-K264 HydrophobicContact CD1-CD 4.04Å; L74-K264 HydrophobicContact CD1-CG 4.37Å; L74-K264 HydrophobicContact CG-CB 4.21Å; L74-K264 HydrophobicContact CG-CD 4.1Å; L74-V268 HydrophobicContact CB-CG2 3.52Å; L74-V268 HydrophobicContact CD1-CG2 4.3Å
75	W	79.9	Confident	79.8	Confident	20 Å²	20	40.4 Å²	40.4	8%	0.076	22%	0.215	C	C	.	.	H	α-helix	trans	-66.9	-31.2	-177.7	58.8	-97.5	0	0	0	112.5	M73 G77 I78 F222 M223 V226 V268 A271 L275	M73-W75 HydrophobicContact CB-CZ2 4.33Å; M73-W75 HydrophobicContact CG-CZ2 4.34Å; M73-W75 PolarHBondContact O-N 3.46Å; M73-W75 HydrophobicContact SD-CZ2 4.17Å; M73-W75 PolarHBondContact SD-NE1 3.34Å; W75-G77 PolarHBondContact O-N 2.99Å; W75-I78 VanDerWaalsContact O-CB 3.28Å; W75-I78 WeakPolarHBondContact O-CB 2.8Å; W75-I78 PolarHBondContact O-N 3.21Å; W75-F222 AromaticContact CH2-CD1 3.48Å; W75-F222 HydrophobicContact CH2-CD1 3.48Å; W75-F222 VanDerWaalsContact CH2-CD1 3.48Å; W75-F222 AromaticContact CH2-CE1 3.59Å; W75-F222 HydrophobicContact CH2-CE1 3.59Å; W75-F222 AromaticContact CZ2-CD1 3.91Å; W75-F222 HydrophobicContact CZ2-CD1 3.91Å; W75-F222 HydrophobicContact CZ2-CE1 4.12Å; W75-F222 HydrophobicContact CZ3-CE1 4.36Å; W75-M223 HydrophobicContact CH2-CB 4.14Å; W75-M223 HydrophobicContact CH2-CG 4.42Å; W75-V226 HydrophobicContact CE3-CG1 4.39Å; W75-V226 HydrophobicContact CH2-CB 4.43Å; W75-V226 HydrophobicContact CH2-CG2 4.15Å; W75-V226 HydrophobicContact CZ3-CB 3.75Å; W75-V226 HydrophobicContact CZ3-CG1 3.8Å; W75-V226 HydrophobicContact CZ3-CG2 3.77Å; W75-V268 HydrophobicContact CB-CG2 4.28Å; W75-A271 HydrophobicContact CB-CB 3.47Å; W75-A271 VanDerWaalsContact CB-CB 3.47Å; W75-A271 HydrophobicContact CG-CB 4.05Å; W75-L275 HydrophobicContact CE3-CD1 4.45Å
76	A	82.3	Confident	79.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.7	-29.8	173.3	0	0	0	0	0	111.4	M73 L74 I78 A79 I80 I207 M211 F222	M73-A76 HydrophobicContact CB-CB 4.28Å; M73-A76 PolarHBondContact O-N 2.87Å; L74-A76 VanDerWaalsContact C-N 3.32Å; L74-A76 PolarHBondContact O-N 3.47Å; A76-I78 PolarHBondContact O-N 2.76Å; A76-A79 PolarHBondContact O-N 2.68Å; A76-I80 WeakPolarHBondContact O-CG1 3.26Å; A76-I80 PolarHBondContact O-N 3.4Å; A76-I207 HydrophobicContact CB-CG2 4.03Å; A76-M211 HydrophobicContact CB-SD 4.23Å; A76-F222 HydrophobicContact CB-CE1 4.32Å
77	G	82.8	Confident	79.8	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.8	-29.5	171.3	0	0	0	0	0	113.6	F63 L74 W75 R81	F63-G77 VanDerWaalsContact CE2-C 3.46Å; L74-G77 WeakPolarHBondContact O-CA 3.49Å; L74-G77 PolarHBondContact O-N 3.13Å; L74-G77 VanDerWaalsContact O-N 3.09Å; W75-G77 PolarHBondContact O-N 2.99Å; G77-R81 WeakPolarHBondContact O-CB 3.44Å; G77-R81 VanDerWaalsContact O-CG 3.29Å; G77-R81 WeakPolarHBondContact O-CG 3.29Å; G77-R81 PolarHBondContact O-N 3.43Å
78	I	84.7	Confident	79.9	Confident	6 Å²	6	33.1 Å²	33.1	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-66.3	-50.1	174.3	-62.5	173.7	0	0	0	109.5	F63 W75 A76 I80 R81 L82 L252 I254 V268	F63-I78 HydrophobicContact CD1-CD1 4.5Å; F63-I78 HydrophobicContact CD1-CG1 3.92Å; F63-I78 HydrophobicContact CD2-CG1 3.83Å; F63-I78 HydrophobicContact CE1-CD1 4.34Å; F63-I78 HydrophobicContact CE1-CG1 3.88Å; F63-I78 HydrophobicContact CE2-CG1 3.8Å; F63-I78 HydrophobicContact CG-CG1 3.9Å; F63-I78 HydrophobicContact CZ-CG1 3.82Å; W75-I78 VanDerWaalsContact O-CB 3.28Å; W75-I78 WeakPolarHBondContact O-CB 2.8Å; W75-I78 PolarHBondContact O-N 3.21Å; A76-I78 PolarHBondContact O-N 2.76Å; I78-I80 PolarHBondContact O-N 2.85Å; I78-R81 PolarHBondContact O-N 3.22Å; I78-R81 VanDerWaalsContact O-N 3.15Å; I78-L82 HydrophobicContact CG2-CD1 3.98Å; I78-L82 HydrophobicContact CG2-CG 4.42Å; I78-L82 WeakPolarHBondContact O-CG 3.45Å; I78-L82 PolarHBondContact O-N 3.13Å; I78-L252 HydrophobicContact CG2-CD1 4.3Å; I78-L252 HydrophobicContact CG2-CD2 3.55Å; I78-I254 HydrophobicContact CD1-CD1 4.29Å; I78-V268 HydrophobicContact CD1-CG1 3.97Å
79	A	84.1	Confident	80	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56.3	-49.5	176.6	0	0	0	0	0	111	A76 R81 L82 F83 I207 V226 I230	A76-A79 PolarHBondContact O-N 2.68Å; A79-R81 VanDerWaalsContact C-N 3.29Å; A79-R81 PolarHBondContact O-N 2.94Å; A79-L82 WeakPolarHBondContact O-CB 3.43Å; A79-L82 PolarHBondContact O-N 3.47Å; A79-L82 VanDerWaalsContact O-N 3.12Å; A79-F83 WeakPolarHBondContact O-CD2 3.39Å; A79-F83 PolarHBondContact O-N 3.15Å; A79-I207 HydrophobicContact CB-CD1 4.19Å; A79-V226 HydrophobicContact CB-CG1 3.63Å; A79-I230 HydrophobicContact CB-CD1 4.05Å; A79-I230 HydrophobicContact CB-CG1 4.27Å
80	I	83.6	Confident	80.3	Confident	25 Å²	25	33.3 Å²	33.3	13%	0.128	19%	0.191	C	C	.	.	H	α-helix	trans	-55.1	-43.8	177.5	-69.8	167.2	0	0	0	111.7	A76 I78 H84 A204 I207 K208	A76-I80 WeakPolarHBondContact O-CG1 3.26Å; A76-I80 PolarHBondContact O-N 3.4Å; I78-I80 PolarHBondContact O-N 2.85Å; I80-H84 WeakPolarHBondContact O-CB 3.39Å; I80-H84 PolarHBondContact O-N 3.43Å; I80-A204 HydrophobicContact CG2-CB 4.16Å; I80-I207 HydrophobicContact CD1-CB 4.5Å; I80-I207 HydrophobicContact CD1-CG2 4.01Å; I80-I207 HydrophobicContact CG1-CB 4.11Å; I80-I207 HydrophobicContact CG1-CG2 3.79Å; I80-K208 HydrophobicContact CD1-CB 4.27Å
81	R	85.6	Confident	80.5	Confident	80 Å²	80	30.7 Å²	30.7	30%	0.302	16%	0.163	S	C	.	.	H	α-helix	trans	-69.2	-37.6	179.2	-73.3	-67.7	-176	172.8	2.3	112.4	V61 F63 F68 G77 I78 A79 H84 A85	V61-R81 HydrophobicContact CG1-CB 3.93Å; F63-R81 HydrophobicContact CD2-CG 4.11Å; F68-R81 HydrophobicContact CE2-CG 4.17Å; F68-R81 HydrophobicContact CZ-CG 4.3Å; G77-R81 WeakPolarHBondContact O-CB 3.44Å; G77-R81 VanDerWaalsContact O-CG 3.29Å; G77-R81 WeakPolarHBondContact O-CG 3.29Å; G77-R81 PolarHBondContact O-N 3.43Å; I78-R81 PolarHBondContact O-N 3.22Å; I78-R81 VanDerWaalsContact O-N 3.15Å; A79-R81 VanDerWaalsContact C-N 3.29Å; A79-R81 PolarHBondContact O-N 2.94Å; R81-H84 PolarHBondContact O-N 3.14Å; R81-A85 WeakPolarHBondContact O-CB 3.44Å; R81-A85 PolarHBondContact O-N 3.44Å
82	L	85.3	Confident	80.6	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-61.6	-51.4	173	-71.6	168.7	0	0	0	110.7	V61 I78 A79 H84 A85 M86 L233 I250 L252 L276	V61-L82 HydrophobicContact CB-CD2 4.41Å; V61-L82 HydrophobicContact CG1-CD2 4.29Å; V61-L82 HydrophobicContact CG2-CD2 4.15Å; I78-L82 HydrophobicContact CG2-CD1 3.98Å; I78-L82 HydrophobicContact CG2-CG 4.42Å; I78-L82 WeakPolarHBondContact O-CG 3.45Å; I78-L82 PolarHBondContact O-N 3.13Å; A79-L82 WeakPolarHBondContact O-CB 3.43Å; A79-L82 PolarHBondContact O-N 3.47Å; A79-L82 VanDerWaalsContact O-N 3.12Å; L82-H84 VanDerWaalsContact C-N 3.33Å; L82-H84 PolarHBondContact O-N 3.08Å; L82-A85 PolarHBondContact O-N 2.84Å; L82-A85 VanDerWaalsContact O-N 3.16Å; L82-M86 WeakPolarHBondContact O-CG 3.31Å; L82-M86 PolarHBondContact O-N 2.71Å; L82-L233 HydrophobicContact CB-CD1 4.16Å; L82-I250 HydrophobicContact CD2-CG2 3.9Å; L82-L252 HydrophobicContact CD2-CD1 4.45Å; L82-L276 HydrophobicContact CD1-CD2 4.37Å
83	F	82.6	Confident	80.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.9	-45	176.4	-84.8	-73.5	0	0	0	112.6	A79 A85 M86 Q87 L95 Q203 I207 E229 F232 L233	A79-F83 WeakPolarHBondContact O-CD2 3.39Å; A79-F83 PolarHBondContact O-N 3.15Å; F83-A85 PolarHBondContact O-N 3.43Å; F83-M86 PolarHBondContact O-N 2.96Å; F83-Q87 WeakPolarHBondContact O-CG 3.36Å; F83-Q87 PolarHBondContact O-N 3.42Å; F83-L95 HydrophobicContact CD1-CD2 4.45Å; F83-Q203 HydrophobicContact CD1-CB 4.32Å; F83-Q203 VanDerWaalsContact CD1-OE1 3.26Å; F83-Q203 HydrophobicContact CE1-CB 4.29Å; F83-I207 HydrophobicContact CD2-CD1 3.91Å; F83-I207 HydrophobicContact CE2-CD1 3.76Å; F83-E229 HydrophobicContact CE2-CB 3.95Å; F83-E229 HydrophobicContact CZ-CB 3.76Å; F83-E229 VanDerWaalsContact CZ-O 3.24Å; F83-E229 WeakPolarHBondContact CZ-O 3.43Å; F83-E229 VanDerWaalsContact CZ-OE2 3.29Å; F83-E229 WeakPolarHBondContact CZ-OE2 3.4Å; F83-F232 HydrophobicContact CE1-CD1 4.26Å; F83-L233 HydrophobicContact CD1-CD1 3.78Å; F83-L233 HydrophobicContact CD1-CD2 3.6Å; F83-L233 HydrophobicContact CD1-CG 3.94Å; F83-L233 HydrophobicContact CD2-CD1 3.86Å; F83-L233 HydrophobicContact CE1-CD1 3.69Å; F83-L233 HydrophobicContact CE1-CD2 3.38Å; F83-L233 HydrophobicContact CE1-CG 3.46Å; F83-L233 VanDerWaalsContact CE1-CG 3.46Å; F83-L233 HydrophobicContact CE2-CD1 3.74Å; F83-L233 HydrophobicContact CE2-CG 4.23Å; F83-L233 HydrophobicContact CG-CD1 3.85Å; F83-L233 HydrophobicContact CG-CD2 4.46Å; F83-L233 HydrophobicContact CG-CG 4.5Å; F83-L233 HydrophobicContact CZ-CD1 3.66Å; F83-L233 HydrophobicContact CZ-CD2 4.1Å; F83-L233 HydrophobicContact CZ-CG 3.61Å
84	H	83.4	Confident	80.6	Confident	99 Å²	99	32.5 Å²	32.5	46%	0.458	17%	0.166	S	C	.	.	H	α-helix	trans	-62.6	-43.5	177.9	-173.9	67.5	0	0	0	111.8	I80 R81 L82 M86 Q87 V88	I80-H84 WeakPolarHBondContact O-CB 3.39Å; I80-H84 PolarHBondContact O-N 3.43Å; R81-H84 PolarHBondContact O-N 3.14Å; L82-H84 VanDerWaalsContact C-N 3.33Å; L82-H84 PolarHBondContact O-N 3.08Å; H84-M86 VanDerWaalsContact C-N 3.3Å; H84-M86 PolarHBondContact O-N 3.13Å; H84-Q87 PolarHBondContact O-N 3.42Å; H84-V88 WeakPolarHBondContact O-CG2 3.32Å; H84-V88 PolarHBondContact O-N 2.97Å
85	A	83.8	Confident	80.3	Confident	11 Å²	11	32.6 Å²	32.6	9%	0.091	17%	0.167	C	C	.	.	H	α-helix	trans	-62.3	-38.1	176.7	0	0	0	0	0	112.2	L59 V61 R81 L82 F83 V88 N89	L59-A85 HydrophobicContact CD1-CB 4.46Å; L59-A85 HydrophobicContact CD2-CB 4.45Å; V61-A85 HydrophobicContact CB-CB 4.39Å; V61-A85 HydrophobicContact CG1-CB 4.29Å; V61-A85 HydrophobicContact CG2-CB 3.4Å; R81-A85 WeakPolarHBondContact O-CB 3.44Å; R81-A85 PolarHBondContact O-N 3.44Å; L82-A85 PolarHBondContact O-N 2.84Å; L82-A85 VanDerWaalsContact O-N 3.16Å; F83-A85 PolarHBondContact O-N 3.43Å; A85-V88 PolarHBondContact O-N 3.18Å; A85-N89 PolarHBondContact O-N 2.95Å; A85-N89 VanDerWaalsContact O-N 3.15Å; A85-N89 PolarHBondContact O-ND2 3.39Å
86	M	81.4	Confident	79.8	Confident	1 Å²	1	32 Å²	32	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-64.2	-46.6	175.1	-66.6	-59.9	162.5	0	0	112.1	L59 L82 F83 H84 V88 N89 F90 L233 I237 I250	L59-M86 HydrophobicContact CD2-CE 3.53Å; L59-M86 HydrophobicContact CD2-SD 3.72Å; L82-M86 WeakPolarHBondContact O-CG 3.31Å; L82-M86 PolarHBondContact O-N 2.71Å; F83-M86 PolarHBondContact O-N 2.96Å; H84-M86 VanDerWaalsContact C-N 3.3Å; H84-M86 PolarHBondContact O-N 3.13Å; M86-V88 VanDerWaalsContact C-N 3.28Å; M86-V88 PolarHBondContact O-N 3.38Å; M86-N89 PolarHBondContact O-N 3.38Å; M86-F90 PolarHBondContact O-N 2.56Å; M86-F90 HydrophobicContact SD-CD2 3.88Å; M86-F90 HydrophobicContact SD-CE2 3.65Å; M86-L233 HydrophobicContact CB-CD2 4.37Å; M86-L233 HydrophobicContact CG-CD2 4.02Å; M86-I237 HydrophobicContact CE-CD1 3.63Å; M86-I237 HydrophobicContact CE-CG1 4.06Å; M86-I237 HydrophobicContact SD-CD1 4.43Å; M86-I237 HydrophobicContact SD-CG1 4.26Å; M86-I250 HydrophobicContact CE-CD1 3.27Å; M86-I250 HydrophobicContact CE-CG1 3.52Å
87	Q	81.2	Confident	79.3	Confident	25 Å²	25	33.1 Å²	33.1	12%	0.117	17%	0.171	C	C	.	.	H	α-helix	trans	-62	-35.1	178.3	-71.4	178.4	7.1	0	0	112.6	F83 H84 G91 K92 L95 S202	F83-Q87 WeakPolarHBondContact O-CG 3.36Å; F83-Q87 PolarHBondContact O-N 3.42Å; H84-Q87 PolarHBondContact O-N 3.42Å; Q87-G91 CarbonylContact O-C 3.42Å; Q87-G91 WeakPolarHBondContact O-CA 3.2Å; Q87-G91 PolarHBondContact O-N 2.63Å; Q87-K92 HydrophobicContact CB-CG 4.13Å; Q87-K92 HydrophobicContact CG-CG 4.17Å; Q87-L95 HydrophobicContact CG-CD2 4.03Å; Q87-S202 PolarHBondContact NE2-OG 3.35Å; Q87-S202 VanDerWaalsContact NE2-OG 3.09Å
88	V	80.4	Confident	78.8	Confident	99 Å²	99	33.8 Å²	33.8	60%	0.6	17%	0.174	S	C	*	.	H	α-helix	trans	-71.9	-35.8	178	171.1	0	0	0	0	111.9	H84 A85 M86	H84-V88 WeakPolarHBondContact O-CG2 3.32Å; H84-V88 PolarHBondContact O-N 2.97Å; A85-V88 PolarHBondContact O-N 3.18Å; M86-V88 VanDerWaalsContact C-N 3.28Å; M86-V88 PolarHBondContact O-N 3.38Å
89	N	78.8	Confident	78.1	Confident	63 Å²	63	36.1 Å²	36.1	34%	0.337	18%	0.182	S	C	.	.	H	α-helix	trans	-90.8	-37.1	-174.1	-74.9	-82.7	0	0	0	114.4	L59 A85 M86	L59-N89 HydrophobicContact CD1-CB 4.36Å; L59-N89 VanDerWaalsContact CD1-CG 3.49Å; L59-N89 WeakPolarHBondContact CD1-ND2 3.29Å; A85-N89 PolarHBondContact O-N 2.95Å; A85-N89 VanDerWaalsContact O-N 3.15Å; A85-N89 PolarHBondContact O-ND2 3.39Å; M86-N89 PolarHBondContact O-N 3.38Å
90	F	76.6	Confident	77.3	Confident	13 Å²	13	38.6 Å²	38.6	6%	0.057	20%	0.197	C	C	.	.	H	α-helix	trans	-105.3	-13	-178.7	-59.6	-77.1	0	0	0	112.8	L59 M86 P94 F236 M240 I248	L59-F90 HydrophobicContact CD2-CE2 4.44Å; M86-F90 PolarHBondContact O-N 2.56Å; M86-F90 HydrophobicContact SD-CD2 3.88Å; M86-F90 HydrophobicContact SD-CE2 3.65Å; F90-P94 WeakPolarHBondContact O-CD 3.18Å; F90-P94 VanDerWaalsContact O-CG 3.3Å; F90-P94 WeakPolarHBondContact O-CG 3.42Å; F90-F236 HydrophobicContact CB-CE1 4.08Å; F90-F236 HydrophobicContact CB-CZ 4.03Å; F90-F236 AromaticContact CD2-CE1 3.99Å; F90-F236 HydrophobicContact CD2-CE1 3.99Å; F90-F236 HydrophobicContact CG-CE1 4.01Å; F90-F236 HydrophobicContact CG-CZ 4.33Å; F90-M240 HydrophobicContact CD1-CG 4.1Å; F90-M240 HydrophobicContact CD1-SD 4.22Å; F90-M240 HydrophobicContact CE1-CB 4.17Å; F90-M240 HydrophobicContact CE1-CG 4.13Å; F90-I248 HydrophobicContact CE1-CD1 4.02Å; F90-I248 HydrophobicContact CZ-CD1 3.9Å; F90-I248 HydrophobicContact CZ-CG2 4.23Å
91	G	75.6	Confident	76.2	Confident	28 Å²	28	39 Å²	39	29%	0.289	20%	0.201	S	C	.	.			trans	87.7	158	-174.4	0	0	0	0	0	112.7	Q87	Q87-G91 CarbonylContact O-C 3.42Å; Q87-G91 WeakPolarHBondContact O-CA 3.2Å; Q87-G91 PolarHBondContact O-N 2.63Å
92	K	75.8	Confident	75	Confident	124 Å²	124	36.4 Å²	36.4	54%	0.539	19%	0.192	S	C	.	.	H	α-helix	trans	-71.4	-34.2	179.5	-64.5	-179	179.5	-179.8	0	112.8	Q87 A96 L199	Q87-K92 HydrophobicContact CB-CG 4.13Å; Q87-K92 HydrophobicContact CG-CG 4.17Å; K92-A96 PolarHBondContact O-N 2.73Å; K92-L199 HydrophobicContact CB-CD2 4.26Å
93	L	70.6	Confident	73.8	Confident	80 Å²	80	38.7 Å²	38.7	42%	0.419	20%	0.201	S	C	.	.	H	α-helix	trans	-66	-53.3	-176	-65.7	166.6	0	0	0	112.2	L95 A96 F97 L199	L93-L95 VanDerWaalsContact C-N 3.26Å; L93-L95 PolarHBondContact O-N 2.89Å; L93-A96 PolarHBondContact O-N 3.34Å; L93-A96 VanDerWaalsContact O-N 3.12Å; L93-F97 HydrophobicContact CB-CD2 4.42Å; L93-F97 VanDerWaalsContact O-CD2 3.28Å; L93-F97 WeakPolarHBondContact O-CD2 3.43Å; L93-F97 PolarHBondContact O-N 3.13Å; L93-L199 HydrophobicContact CD2-CD1 3.49Å; L93-L199 VanDerWaalsContact CD2-CD1 3.49Å; L93-L199 HydrophobicContact CD2-CD2 3.7Å; L93-L199 HydrophobicContact CD2-CG 4.25Å; L93-L199 HydrophobicContact CG-CD2 4.38Å
94	P	73.1	Confident	72.6	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.019	22%	0.221	C	C	.	.	H	α-helix	trans	-58.6	-36.8	-178.7	-30.3	42.2	0	0	0	113.9	L35 F90 F97 Y98 F236 M240	L35-P94 HydrophobicContact CD2-CB 3.77Å; L35-P94 HydrophobicContact CD2-CG 4.07Å; F90-P94 WeakPolarHBondContact O-CD 3.18Å; F90-P94 VanDerWaalsContact O-CG 3.3Å; F90-P94 WeakPolarHBondContact O-CG 3.42Å; P94-F97 PolarHBondContact O-N 3.4Å; P94-Y98 WeakPolarHBondContact O-CB 3.32Å; P94-Y98 PolarHBondContact O-N 3.22Å; P94-F236 HydrophobicContact CB-CE2 4.43Å; P94-F236 HydrophobicContact CB-CZ 4.35Å; P94-M240 HydrophobicContact CB-CE 3.88Å
95	L	74.4	Confident	71.2	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-66.2	-43.9	177.7	-167.9	71.4	0	0	0	111.6	F83 Q87 L93 R99 F232 L233 F236	F83-L95 HydrophobicContact CD1-CD2 4.45Å; Q87-L95 HydrophobicContact CG-CD2 4.03Å; L93-L95 VanDerWaalsContact C-N 3.26Å; L93-L95 PolarHBondContact O-N 2.89Å; L95-R99 PolarHBondContact O-N 2.92Å; L95-F232 HydrophobicContact CD1-CE1 3.67Å; L95-F232 HydrophobicContact CD1-CZ 4.02Å; L95-F232 HydrophobicContact CG-CE1 4Å; L95-F232 HydrophobicContact CG-CZ 4.27Å; L95-L233 HydrophobicContact CD1-CD2 3.96Å; L95-F236 HydrophobicContact CB-CE2 4.5Å; L95-F236 HydrophobicContact CB-CZ 4.3Å; L95-F236 HydrophobicContact CD1-CB 4.4Å; L95-F236 HydrophobicContact CD1-CD1 3.62Å; L95-F236 HydrophobicContact CD1-CD2 4.01Å; L95-F236 HydrophobicContact CD1-CE1 3.72Å; L95-F236 HydrophobicContact CD1-CE2 4.07Å; L95-F236 HydrophobicContact CD1-CG 3.74Å; L95-F236 HydrophobicContact CD1-CZ 3.91Å
96	A	70.2	Confident	69.6	Low	7 Å²	7	48.5 Å²	48.5	6%	0.058	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-44.6	175.2	0	0	0	0	0	111.8	K92 L93 Y98 R99 V100 L199	K92-A96 PolarHBondContact O-N 2.73Å; L93-A96 PolarHBondContact O-N 3.34Å; L93-A96 VanDerWaalsContact O-N 3.12Å; A96-Y98 PolarHBondContact O-N 3.35Å; A96-R99 PolarHBondContact O-N 3.45Å; A96-V100 WeakPolarHBondContact O-CG2 3.47Å; A96-V100 PolarHBondContact O-N 3.01Å; A96-L199 HydrophobicContact CB-CD2 3.68Å; A96-L199 HydrophobicContact CB-CG 4.15Å
97	F	70.9	Confident	68.4	Low	24 Å²	24	52 Å²	52	11%	0.105	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-44.1	177.4	-89.9	-82.2	0	0	0	112.3	I36 L39 L93 P94 R99 V100 T101 F191 M195	I36-F97 HydrophobicContact CD1-CE2 4.31Å; I36-F97 HydrophobicContact CD1-CZ 4.41Å; I36-F97 HydrophobicContact CG1-CE2 4.5Å; I36-F97 HydrophobicContact CG2-CD1 4.45Å; I36-F97 HydrophobicContact CG2-CE1 4.13Å; I36-F97 HydrophobicContact CG2-CZ 4.49Å; L39-F97 HydrophobicContact CD1-CB 3.81Å; L93-F97 HydrophobicContact CB-CD2 4.42Å; L93-F97 VanDerWaalsContact O-CD2 3.28Å; L93-F97 WeakPolarHBondContact O-CD2 3.43Å; L93-F97 PolarHBondContact O-N 3.13Å; P94-F97 PolarHBondContact O-N 3.4Å; F97-R99 VanDerWaalsContact C-N 3.31Å; F97-R99 PolarHBondContact O-N 2.75Å; F97-V100 PolarHBondContact O-N 3.02Å; F97-T101 WeakPolarHBondContact O-CB 3.36Å; F97-T101 VanDerWaalsContact O-CG2 3.29Å; F97-T101 WeakPolarHBondContact O-CG2 3.44Å; F97-T101 PolarHBondContact O-N 2.79Å; F97-T101 PolarHBondContact O-OG1 2.91Å; F97-F191 HydrophobicContact CD1-CE1 4.47Å; F97-F191 HydrophobicContact CD1-CZ 4.28Å; F97-F191 AromaticContact CE1-CE1 3.96Å; F97-F191 HydrophobicContact CE1-CE1 3.96Å; F97-F191 HydrophobicContact CE1-CZ 4.22Å; F97-M195 HydrophobicContact CD1-CE 4.33Å; F97-M195 HydrophobicContact CE1-CE 3.46Å; F97-M195 VanDerWaalsContact CE1-CE 3.46Å; F97-M195 HydrophobicContact CE1-SD 4.47Å; F97-M195 HydrophobicContact CE2-CE 4.03Å; F97-M195 HydrophobicContact CE2-SD 3.98Å; F97-M195 HydrophobicContact CZ-CE 3.27Å; F97-M195 HydrophobicContact CZ-SD 3.75Å
98	Y	72.9	Confident	67	Low	14 Å²	14	54.1 Å²	54.1	6%	0.055	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-41.4	178.8	-179.5	-103.1	0	0	0	112.1	L39 P94 A96 V100 T101 Q102 Y103 F232 Q235 F236 F239	L39-Y98 HydrophobicContact CD2-CD2 3.54Å; L39-Y98 HydrophobicContact CD2-CG 4.2Å; P94-Y98 WeakPolarHBondContact O-CB 3.32Å; P94-Y98 PolarHBondContact O-N 3.22Å; A96-Y98 PolarHBondContact O-N 3.35Å; Y98-V100 PolarHBondContact O-N 3.16Å; Y98-T101 PolarHBondContact O-N 2.82Å; Y98-Q102 HydrophobicContact CD2-CB 3.73Å; Y98-Q102 HydrophobicContact CD2-CG 3.65Å; Y98-Q102 HydrophobicContact CE2-CB 3.52Å; Y98-Q102 HydrophobicContact CE2-CG 3.78Å; Y98-Q102 HydrophobicContact CG-CB 4.43Å; Y98-Q102 PolarHBondContact O-N 3.33Å; Y98-Y103 PolarHBondContact O-N 2.94Å; Y98-F232 HydrophobicContact CD1-CD2 4.16Å; Y98-F232 AromaticContact CD1-CE2 3.43Å; Y98-F232 HydrophobicContact CD1-CE2 3.43Å; Y98-F232 VanDerWaalsContact CD1-CE2 3.43Å; Y98-F232 AromaticContact CD1-CZ 3.94Å; Y98-F232 HydrophobicContact CD1-CZ 3.94Å; Y98-F232 HydrophobicContact CE1-CD2 4.17Å; Y98-F232 AromaticContact CE1-CE2 3.91Å; Y98-F232 HydrophobicContact CE1-CE2 3.91Å; Y98-Q235 HydrophobicContact CE1-CB 4.39Å; Y98-Q235 VanDerWaalsContact OH-CB 3.28Å; Y98-Q235 WeakPolarHBondContact OH-CB 3.43Å; Y98-Q235 PolarHBondContact OH-O 2.86Å; Y98-F236 HydrophobicContact CD1-CB 3.75Å; Y98-F236 AromaticContact CD1-CD2 3.7Å; Y98-F236 HydrophobicContact CD1-CD2 3.7Å; Y98-F236 HydrophobicContact CD1-CG 4.21Å; Y98-F236 HydrophobicContact CD2-CD2 4.27Å; Y98-F236 HydrophobicContact CE1-CB 3.8Å; Y98-F236 HydrophobicContact CE1-CD2 4.46Å; Y98-F236 HydrophobicContact CG-CB 4.46Å; Y98-F236 AromaticContact CG-CD2 3.62Å; Y98-F236 HydrophobicContact CG-CD2 3.62Å; Y98-F236 HydrophobicContact CG-CE2 4.42Å; Y98-F239 HydrophobicContact CD2-CB 4.3Å; Y98-F239 HydrophobicContact CD2-CD1 4.44Å; Y98-F239 HydrophobicContact CD2-CD2 4.26Å; Y98-F239 HydrophobicContact CD2-CG 4.07Å; Y98-F239 HydrophobicContact CE2-CB 3.74Å; Y98-F239 AromaticContact CE2-CD2 3.96Å; Y98-F239 HydrophobicContact CE2-CD2 3.96Å; Y98-F239 AromaticContact CE2-CG 3.87Å; Y98-F239 HydrophobicContact CE2-CG 3.87Å
99	R	70.6	Confident	65.4	Low	55 Å²	55	55.6 Å²	55.6	21%	0.208	29%	0.285	C	S	.	.	H	α-helix	trans	-59.3	-46.1	176.4	-175.4	168	-68.8	-154.4	-3.6	113.1	L95 A96 F97 T101 Y103 Q203 E229 F232	L95-R99 PolarHBondContact O-N 2.92Å; A96-R99 PolarHBondContact O-N 3.45Å; F97-R99 VanDerWaalsContact C-N 3.31Å; F97-R99 PolarHBondContact O-N 2.75Å; R99-T101 VanDerWaalsContact C-N 3.31Å; R99-T101 PolarHBondContact O-N 2.78Å; R99-Y103 WeakPolarHBondContact O-CB 3.39Å; R99-Q203 VanDerWaalsContact NE-NE2 3.18Å; R99-Q203 VanDerWaalsContact NH1-NE2 3.16Å; R99-E229 IonicContact CZ-OE1 3.46Å; R99-E229 IonicContact CZ-OE2 2.79Å; R99-E229 IonicContact NH1-OE1 2.84Å; R99-E229 PolarHBondContact NH1-OE1 2.82Å; R99-E229 IonicContact NH1-OE2 3Å; R99-E229 PolarHBondContact NH1-OE2 2.93Å; R99-E229 IonicContact NH2-OE1 3.94Å; R99-E229 PolarHBondContact NH2-OE1 2.76Å; R99-E229 IonicContact NH2-OE2 3.16Å; R99-E229 PolarHBondContact NH2-OE2 3.48Å; R99-F232 HydrophobicContact CB-CE2 3.61Å; R99-F232 HydrophobicContact CB-CZ 3.72Å; R99-F232 HydrophobicContact CG-CE2 4.14Å; R99-F232 HydrophobicContact CG-CZ 4.45Å; R99-F232 VanDerWaalsContact NH2-CE1 3.33Å
100	V	66.5	Low	63.9	Low	51 Å²	51	58.1 Å²	58.1	31%	0.309	29%	0.293	S	S	.	.	H	α-helix	trans	-75.8	-24.5	-175.7	-175.3	0	0	0	0	111.7	A96 F97 Y98 F191	A96-V100 WeakPolarHBondContact O-CG2 3.47Å; A96-V100 PolarHBondContact O-N 3.01Å; F97-V100 PolarHBondContact O-N 3.02Å; Y98-V100 PolarHBondContact O-N 3.16Å; V100-F191 HydrophobicContact CB-CE2 4.22Å; V100-F191 HydrophobicContact CG1-CD2 3.77Å; V100-F191 HydrophobicContact CG1-CE2 3.38Å; V100-F191 HydrophobicContact CG1-CZ 4.24Å
101	T	59.7	Low	62.4	Low	33 Å²	33	66.3 Å²	66.3	20%	0.202	33%	0.332	C	S	.	.	H	α-helix	trans	-106	-28.7	-169.7	58.3	0	0	0	0	115	V40 F97 Y98 R99 K124 F191	V40-T101 HydrophobicContact CG2-CG2 4.21Å; F97-T101 WeakPolarHBondContact O-CB 3.36Å; F97-T101 VanDerWaalsContact O-CG2 3.29Å; F97-T101 WeakPolarHBondContact O-CG2 3.44Å; F97-T101 PolarHBondContact O-N 2.79Å; F97-T101 PolarHBondContact O-OG1 2.91Å; Y98-T101 PolarHBondContact O-N 2.82Å; R99-T101 VanDerWaalsContact C-N 3.31Å; R99-T101 PolarHBondContact O-N 2.78Å; T101-K124 PolarHBondContact O-NZ 3.33Å; T101-F191 HydrophobicContact CG2-CE2 4.3Å; T101-F191 HydrophobicContact CG2-CZ 4.15Å
102	Q	60.9	Low	61.3	Low	27 Å²	27	69.6 Å²	69.6	13%	0.126	34%	0.338	C	S	.	.	H	α-helix	trans	-130.1	-18.2	-168.8	-51.2	-129.5	-32.4	0	0	114.2	L39 F42 Y98 D104 K124 F239	L39-Q102 HydrophobicContact CD2-CG 4.21Å; L39-Q102 PolarHBondContact O-NE2 3Å; F42-Q102 PolarHBondContact O-NE2 3.31Å; Y98-Q102 HydrophobicContact CD2-CB 3.73Å; Y98-Q102 HydrophobicContact CD2-CG 3.65Å; Y98-Q102 HydrophobicContact CE2-CB 3.52Å; Y98-Q102 HydrophobicContact CE2-CG 3.78Å; Y98-Q102 HydrophobicContact CG-CB 4.43Å; Y98-Q102 PolarHBondContact O-N 3.33Å; Q102-D104 PolarHBondContact O-N 3.41Å; Q102-K124 VanDerWaalsContact NE2-NZ 3.15Å; Q102-F239 VanDerWaalsContact OE1-CD2 3.29Å
103	Y	60.2	Low	59.8	Low	52 Å²	52	70.9 Å²	70.9	20%	0.204	35%	0.346	C	S	.	.			trans	-81.8	110.4	-175.3	-175.2	-108.7	0	0	0	110.4	Y98 R99 E105 K228 W231 F232	Y98-Y103 PolarHBondContact O-N 2.94Å; R99-Y103 WeakPolarHBondContact O-CB 3.39Å; Y103-E105 HydrophobicContact CE1-CG 4.07Å; Y103-K228 PolarHBondContact OH-O 3.25Å; Y103-W231 HydrophobicContact CD2-CZ3 4.06Å; Y103-W231 AromaticContact CE2-CE3 3.53Å; Y103-W231 HydrophobicContact CE2-CE3 3.53Å; Y103-W231 AromaticContact CE2-CZ3 3.36Å; Y103-W231 HydrophobicContact CE2-CZ3 3.36Å; Y103-F232 HydrophobicContact CD1-CD2 4.45Å; Y103-F232 HydrophobicContact CD2-CB 4.08Å; Y103-F232 AromaticContact CD2-CD2 3.44Å; Y103-F232 HydrophobicContact CD2-CD2 3.44Å; Y103-F232 VanDerWaalsContact CD2-CD2 3.44Å; Y103-F232 HydrophobicContact CD2-CE2 4.36Å; Y103-F232 HydrophobicContact CD2-CG 4.24Å; Y103-F232 HydrophobicContact CE2-CB 3.57Å; Y103-F232 AromaticContact CE2-CD2 3.84Å; Y103-F232 HydrophobicContact CE2-CD2 3.84Å; Y103-F232 HydrophobicContact CE2-CG 4.2Å; Y103-F232 AromaticContact CG-CD2 3.74Å; Y103-F232 HydrophobicContact CG-CD2 3.74Å; Y103-F232 HydrophobicContact CG-CE2 4.32Å
104	D	58.3	Low	58.9	Low	79 Å²	79	70 Å²	70	42%	0.422	34%	0.344	S	S	.	.			trans	-115.7	133.3	168.8	-157.9	-24.3	0	0	0	108.8	Q102 E106	Q102-D104 PolarHBondContact O-N 3.41Å; D104-E106 PolarHBondContact O-N 3.32Å; D104-E106 PolarHBondContact OD1-N 3.49Å
105	E	52.4	Low	57.7	Low	107 Å²	107	75.8 Å²	75.8	50%	0.5	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-69.5	-22	179.3	-69.6	-168.1	-167.9	0	0	111.5	Y103 D107 E108 K228	Y103-E105 HydrophobicContact CE1-CG 4.07Å; E105-D107 VanDerWaalsContact C-N 3.27Å; E105-D107 PolarHBondContact O-N 3.1Å; E105-E108 PolarHBondContact O-N 3.17Å; E105-K228 IonicContact OE2-NZ 3.5Å; E105-K228 PolarHBondContact OE2-NZ 2.73Å
106	E	51.2	Low	56.3	Low	130 Å²	130	83.1 Å²	83.1	61%	0.607	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-72.7	-15.3	-179.3	-63.7	-172.9	178.1	0	0	114.2	D104 E108	D104-E106 PolarHBondContact O-N 3.32Å; D104-E106 PolarHBondContact OD1-N 3.49Å; E106-E108 PolarHBondContact O-N 2.82Å
107	D	56.8	Low	55.2	Low	74 Å²	74	86.3 Å²	86.3	40%	0.396	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-79.6	-4.4	177.8	-71.9	-16.7	0	0	0	112.9	E105 V109 K110 W231	E105-D107 VanDerWaalsContact C-N 3.27Å; E105-D107 PolarHBondContact O-N 3.1Å; D107-V109 VanDerWaalsContact C-N 3.34Å; D107-K110 IonicContact OD1-NZ 3.6Å; D107-K110 PolarHBondContact OD1-NZ 2.9Å; D107-W231 HydrophobicContact CB-CH2 4.04Å
108	E	51.2	Low	54.1	Low	69 Å²	69	93.4 Å²	93.4	32%	0.322	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-72.1	-27.7	173.6	-165.7	175	-175.2	0	0	112.2	E105 E106 W231	E105-E108 PolarHBondContact O-N 3.17Å; E106-E108 PolarHBondContact O-N 2.82Å; E108-W231 HydrophobicContact CB-CH2 4.18Å; E108-W231 HydrophobicContact CB-CZ2 4.08Å; E108-W231 HydrophobicContact CG-CZ2 4.48Å
109	V	47.8	Very low	53.3	Low	130 Å²	130	98.1 Å²	98.1	79%	0.788	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-18.3	-173.5	-175.9	0	0	0	0	112.9	D107 E111	D107-V109 VanDerWaalsContact C-N 3.34Å; V109-E111 PolarHBondContact O-N 3.28Å
110	K	46.8	Very low	52.8	Low	116 Å²	116	96.6 Å²	96.6	50%	0.504	49%	0.487	S	S	.	.	S	Bend	trans	-79.8	117.8	-179.5	-65.2	173.8	-166.2	152.7	0	109.6	D107 K112	D107-K110 IonicContact OD1-NZ 3.6Å; D107-K110 PolarHBondContact OD1-NZ 2.9Å; K110-K112 PolarHBondContact O-N 3.46Å
111	E	44.4	Very low	52.7	Low	186 Å²	186	95.8 Å²	95.8	87%	0.869	48%	0.478	S	S	*	.			trans	-54.9	132.1	168.3	-78.3	-174.2	168.3	0	0	109.6	V109 E113	V109-E111 PolarHBondContact O-N 3.28Å; E111-E113 PolarHBondContact O-N 3.28Å
112	K	51.8	Low	52.9	Low	97 Å²	97	97.3 Å²	97.3	42%	0.422	49%	0.488	S	S	.	.			trans	-74.6	95	-178.3	-70.5	179	176.3	178.4	0	109.3	K110 V114 K238 E280	K110-K112 PolarHBondContact O-N 3.46Å; K112-V114 PolarHBondContact O-N 2.98Å; K112-K238 VanDerWaalsContact NZ-NZ 3.12Å; K112-E280 IonicContact NZ-OE2 3.58Å; K112-E280 PolarHBondContact NZ-OE2 3.38Å
113	E	44.2	Very low	53	Low	150 Å²	150	102 Å²	102	70%	0.701	51%	0.505	S	S	*	.			trans	-63.9	108.8	166.7	-67.7	-177.3	171.5	0	0	109.2	E111 K115	E111-E113 PolarHBondContact O-N 3.28Å; E113-K115 PolarHBondContact O-N 2.92Å; E113-K115 WeakPolarHBondContact OE2-CE 3.37Å
114	V	51.8	Low	53.1	Low	62 Å²	62	101.3 Å²	101.3	38%	0.376	50%	0.503	S	S	.	.			trans	-67.1	99.7	168.9	-178.4	0	0	0	0	107.5	M48 K112	M48-V114 HydrophobicContact CE-CG1 4.01Å; M48-V114 HydrophobicContact CG-CG1 3.89Å; M48-V114 HydrophobicContact SD-CG1 4.47Å; K112-V114 PolarHBondContact O-N 2.98Å
115	K	49.6	Very low	53	Low	124 Å²	124	102 Å²	102	54%	0.539	51%	0.505	S	S	.	.			trans	-82.7	123	176.5	-71.8	-179.4	180	175.1	0	109.7	E113 T117	E113-K115 PolarHBondContact O-N 2.92Å; E113-K115 WeakPolarHBondContact OE2-CE 3.37Å; K115-T117 PolarHBondContact O-N 3.25Å; K115-T117 PolarHBondContact O-OG1 3.42Å
116	D	43.6	Very low	53.2	Low	159 Å²	159	100.4 Å²	100.4	85%	0.85	50%	0.502	S	S	*	.			trans	-77.7	57.4	-179.9	-147.3	15.7	0	0	0	110.9
117	T	48.3	Very low	53.2	Low	73 Å²	73	102.7 Å²	102.7	45%	0.448	52%	0.518	S	S	.	.			trans	-106.9	131.2	179.7	21.5	0	0	0	0	109.9	T47 K115 D119	T47-T117 VanDerWaalsContact CG2-O 3.29Å; T47-T117 WeakPolarHBondContact CG2-O 3.4Å; K115-T117 PolarHBondContact O-N 3.25Å; K115-T117 PolarHBondContact O-OG1 3.42Å; T117-D119 PolarHBondContact O-N 2.76Å
118	L	47.1	Very low	53.1	Low	173 Å²	173	102.2 Å²	102.2	91%	0.906	53%	0.531	S	S	*	.	S	Bend	trans	-64.7	-19.6	-177	-155.1	102.2	0	0	0	113.5
119	D	56.5	Low	53.2	Low	114 Å²	114	102 Å²	102	61%	0.61	54%	0.536	S	S	*	.			trans	-97.4	126.6	-176.4	-148.9	-8.7	0	0	0	111.5	T117 W121	T117-D119 PolarHBondContact O-N 2.76Å; D119-W121 PolarHBondContact O-N 3.38Å
120	N	59.3	Low	54.1	Low	23 Å²	23	97 Å²	97	12%	0.123	51%	0.506	C	S	.	.	S	Bend	trans	-78.1	-5.5	-172.2	-74.7	-54.9	0	0	0	113.5	V45 T47 N50 V242	V45-N120 PolarHBondContact N-O 2.65Å; V45-N120 VanDerWaalsContact N-O 3.08Å; T47-N120 PolarHBondContact OG1-OD1 3.09Å; T47-N120 VanDerWaalsContact OG1-OD1 3.05Å; N50-N120 PolarHBondContact ND2-OD1 3.19Å; N50-N120 VanDerWaalsContact ND2-OD1 3.12Å; N120-V242 HydrophobicContact CB-CG1 4.2Å
121	W	65.2	Low	55	Low	33 Å²	33	93.6 Å²	93.6	13%	0.125	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	130.2	-173.5	-63.7	93.7	0	0	0	110.9	R38 F42 P44 D119 F239 V242 F243	R38-W121 HydrophobicContact CB-CH2 4.45Å; R38-W121 HydrophobicContact CB-CZ3 4.46Å; F42-W121 HydrophobicContact CB-CB 4.38Å; F42-W121 HydrophobicContact CB-CD2 4.28Å; F42-W121 HydrophobicContact CB-CE3 3.54Å; F42-W121 HydrophobicContact CB-CZ3 4.2Å; F42-W121 HydrophobicContact CD1-CB 3.97Å; P44-W121 HydrophobicContact CB-CZ3 4.23Å; D119-W121 PolarHBondContact O-N 3.38Å; W121-F239 HydrophobicContact CH2-CD2 4.47Å; W121-F239 AromaticContact CH2-CE2 3.87Å; W121-F239 HydrophobicContact CH2-CE2 3.87Å; W121-F239 AromaticContact CH2-CZ 3.96Å; W121-F239 HydrophobicContact CH2-CZ 3.96Å; W121-F239 HydrophobicContact CZ3-CD2 4.32Å; W121-F239 AromaticContact CZ3-CE2 3.64Å; W121-F239 HydrophobicContact CZ3-CE2 3.64Å; W121-F239 HydrophobicContact CZ3-CZ 4.1Å; W121-V242 HydrophobicContact CD2-CG1 4.47Å; W121-V242 HydrophobicContact CH2-CG1 4.2Å; W121-V242 HydrophobicContact CZ2-CB 4.35Å; W121-V242 HydrophobicContact CZ2-CG1 3.66Å; W121-F243 HydrophobicContact CH2-CB 4.32Å; W121-F243 HydrophobicContact CZ2-CB 4.36Å
122	T	63.5	Low	55.8	Low	66 Å²	66	91.7 Å²	91.7	41%	0.405	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	140.8	168	47.6	0	0	0	0	109.4	F42 A43 V45	F42-T122 CarbonylContact C-O 3.52Å; F42-T122 VanDerWaalsContact CA-O 3.29Å; F42-T122 WeakPolarHBondContact CA-O 3.45Å; A43-T122 PolarHBondContact N-O 2.91Å; A43-T122 PolarHBondContact O-N 3.13Å; A43-T122 PolarHBondContact O-OG1 2.92Å; V45-T122 HydrophobicContact CG2-CG2 3.51Å
123	Y	63.3	Low	56.2	Low	126 Å²	126	88.5 Å²	88.5	49%	0.494	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	144.2	171.3	51.9	-102	0	0	0	109	M125 P130	Y123-M125 HydrophobicContact CD2-CE 3.89Å; Y123-M125 HydrophobicContact CD2-CG 3.77Å; Y123-M125 HydrophobicContact CD2-SD 3.67Å; Y123-M125 HydrophobicContact CE2-CE 3.03Å; Y123-M125 HydrophobicContact CE2-CG 3.45Å; Y123-M125 VanDerWaalsContact CE2-CG 3.45Å; Y123-M125 HydrophobicContact CE2-SD 3.39Å; Y123-M125 WeakPolarHBondContact CE2-SD 3.44Å; Y123-M125 PolarHBondContact O-N 3.15Å; Y123-M125 WeakPolarHBondContact OH-CE 3.5Å; Y123-P130 HydrophobicContact CD2-CB 3.63Å; Y123-P130 HydrophobicContact CE2-CB 4.28Å; Y123-P130 HydrophobicContact CG-CB 3.95Å
124	K	62.5	Low	57.2	Low	37 Å²	37	84.5 Å²	84.5	16%	0.161	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-74.7	121.4	172.8	-72.4	-178.6	179.5	175.1	0	109.7	L39 F41 A43 T101 Q102 P130 L131	L39-K124 PolarHBondContact O-NZ 3.22Å; L39-K124 VanDerWaalsContact O-NZ 3.14Å; F41-K124 PolarHBondContact O-N 3.27Å; A43-K124 HydrophobicContact CB-CG 4.31Å; T101-K124 PolarHBondContact O-NZ 3.33Å; Q102-K124 VanDerWaalsContact NE2-NZ 3.15Å; K124-P130 WeakPolarHBondContact O-CA 3.28Å; K124-L131 HydrophobicContact CB-CD1 3.59Å; K124-L131 HydrophobicContact CB-CG 4.13Å; K124-L131 HydrophobicContact CD-CD1 4Å; K124-L131 HydrophobicContact CG-CD1 4.46Å; K124-L131 PolarHBondContact O-N 3.38Å
125	M	56.7	Low	57.9	Low	94 Å²	94	85.4 Å²	85.4	46%	0.463	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	122.8	171.3	-72.5	-60.9	-152.7	0	0	109.4	Y123 P130	Y123-M125 HydrophobicContact CD2-CE 3.89Å; Y123-M125 HydrophobicContact CD2-CG 3.77Å; Y123-M125 HydrophobicContact CD2-SD 3.67Å; Y123-M125 HydrophobicContact CE2-CE 3.03Å; Y123-M125 HydrophobicContact CE2-CG 3.45Å; Y123-M125 VanDerWaalsContact CE2-CG 3.45Å; Y123-M125 HydrophobicContact CE2-SD 3.39Å; Y123-M125 WeakPolarHBondContact CE2-SD 3.44Å; Y123-M125 PolarHBondContact O-N 3.15Å; Y123-M125 WeakPolarHBondContact OH-CE 3.5Å; M125-P130 HydrophobicContact CE-CB 4.37Å; M125-P130 VanDerWaalsContact SD-CA 3.54Å; M125-P130 HydrophobicContact SD-CB 3.8Å; M125-P130 HydrophobicContact SD-CG 4.41Å
126	V	56	Low	58.7	Low	73 Å²	73	82.7 Å²	82.7	44%	0.442	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.3	170.1	175.6	0	0	0	0	107.1	G128 C129 L131	V126-G128 VanDerWaalsContact C-N 3.26Å; V126-G128 PolarHBondContact O-N 2.93Å; V126-C129 PolarHBondContact N-O 3.3Å; V126-C129 PolarHBondContact O-N 3.15Å; V126-C129 VanDerWaalsContact O-O 3.07Å; V126-L131 HydrophobicContact CB-CD2 3.79Å; V126-L131 HydrophobicContact CB-CG 4.25Å; V126-L131 HydrophobicContact CG2-CD1 3.99Å; V126-L131 HydrophobicContact CG2-CD2 3.63Å; V126-L131 HydrophobicContact CG2-CG 3.78Å
127	L	50.1	Low	59.8	Low	177 Å²	177	78.2 Å²	78.2	93%	0.927	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	35.5	-172.8	-92.3	84.8	0	0	0	114.2	C129	L127-C129 PolarHBondContact O-N 3.42Å
128	G	55.4	Low	60.7	Low	65 Å²	65	78.6 Å²	78.6	67%	0.67	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	2	176.4	0	0	0	0	0	115.6	V126	V126-G128 VanDerWaalsContact C-N 3.26Å; V126-G128 PolarHBondContact O-N 2.93Å
129	C	54.1	Low	61.8	Low	63 Å²	63	75 Å²	75	43%	0.426	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	143.1	172.7	-71.5	0	0	0	0	110.5	V126 L127	V126-C129 PolarHBondContact N-O 3.3Å; V126-C129 PolarHBondContact O-N 3.15Å; V126-C129 VanDerWaalsContact O-O 3.07Å; L127-C129 PolarHBondContact O-N 3.42Å
130	P	66.8	Low	62.6	Low	25 Å²	25	73 Å²	73	16%	0.162	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	133.7	-179.4	32.5	-36.5	0	0	0	109.6	Y123 K124 M125 W132 S133	Y123-P130 HydrophobicContact CD2-CB 3.63Å; Y123-P130 HydrophobicContact CE2-CB 4.28Å; Y123-P130 HydrophobicContact CG-CB 3.95Å; K124-P130 WeakPolarHBondContact O-CA 3.28Å; M125-P130 HydrophobicContact CE-CB 4.37Å; M125-P130 VanDerWaalsContact SD-CA 3.54Å; M125-P130 HydrophobicContact SD-CB 3.8Å; M125-P130 HydrophobicContact SD-CG 4.41Å; P130-W132 VanDerWaalsContact CG-NE1 3.33Å; P130-W132 PolarHBondContact O-N 3.22Å; P130-S133 WeakPolarHBondContact O-CB 3.38Å; P130-S133 PolarHBondContact O-N 3.26Å; P130-S133 PolarHBondContact O-OG 3.4Å
131	L	64.1	Low	63.2	Low	46 Å²	46	76.4 Å²	76.4	24%	0.241	42%	0.418	C	S	.	.	H	α-helix	trans	-52.7	-29.4	-170.3	-81.7	177.4	0	0	0	115.2	F41 K124 V126 S133 V134 L135	F41-L131 HydrophobicContact CD1-CB 3.89Å; F41-L131 HydrophobicContact CE1-CB 4.4Å; K124-L131 HydrophobicContact CB-CD1 3.59Å; K124-L131 HydrophobicContact CB-CG 4.13Å; K124-L131 HydrophobicContact CD-CD1 4Å; K124-L131 HydrophobicContact CG-CD1 4.46Å; K124-L131 PolarHBondContact O-N 3.38Å; V126-L131 HydrophobicContact CB-CD2 3.79Å; V126-L131 HydrophobicContact CB-CG 4.25Å; V126-L131 HydrophobicContact CG2-CD1 3.99Å; V126-L131 HydrophobicContact CG2-CD2 3.63Å; V126-L131 HydrophobicContact CG2-CG 3.78Å; L131-S133 VanDerWaalsContact C-N 3.3Å; L131-S133 PolarHBondContact O-N 3.38Å; L131-V134 PolarHBondContact O-N 3.37Å; L131-L135 PolarHBondContact O-N 3Å
132	W	61.8	Low	63.5	Low	145 Å²	145	77.1 Å²	77.1	55%	0.549	43%	0.427	S	S	.	.	H	α-helix	trans	-65.2	-32.4	176	72.9	-77.7	0	0	0	112.4	F41 P130 L135 V136	F41-W132 HydrophobicContact CD1-CB 3.91Å; F41-W132 HydrophobicContact CE1-CB 4.15Å; F41-W132 HydrophobicContact CG-CB 4.43Å; P130-W132 VanDerWaalsContact CG-NE1 3.33Å; P130-W132 PolarHBondContact O-N 3.22Å; W132-L135 PolarHBondContact O-N 3.26Å; W132-V136 HydrophobicContact CE3-CG2 4.16Å; W132-V136 WeakPolarHBondContact O-CB 3.45Å; W132-V136 WeakPolarHBondContact O-CG2 3.22Å; W132-V136 PolarHBondContact O-N 3.11Å
133	S	60.7	Low	64	Low	31 Å²	31	77.8 Å²	77.8	22%	0.217	43%	0.431	C	S	.	.	H	α-helix	trans	-67.8	-38.9	176.9	75.5	0	0	0	0	111.3	P130 L131 L135 V136 C137	P130-S133 WeakPolarHBondContact O-CB 3.38Å; P130-S133 PolarHBondContact O-N 3.26Å; P130-S133 PolarHBondContact O-OG 3.4Å; L131-S133 VanDerWaalsContact C-N 3.3Å; L131-S133 PolarHBondContact O-N 3.38Å; S133-L135 VanDerWaalsContact C-N 3.33Å; S133-L135 PolarHBondContact O-N 3.2Å; S133-V136 PolarHBondContact O-N 3.24Å; S133-C137 WeakPolarHBondContact O-CB 3.39Å; S133-C137 PolarHBondContact O-N 3.39Å; S133-C137 PolarHBondContact O-SG 2.64Å
134	V	64.9	Low	64.5	Low	66 Å²	66	75.5 Å²	75.5	40%	0.4	43%	0.43	S	S	.	.	H	α-helix	trans	-62.2	-42.7	175.3	-179.2	0	0	0	0	110.5	L131 C137 I138	L131-V134 PolarHBondContact O-N 3.37Å; V134-C137 WeakPolarHBondContact O-CB 3.41Å; V134-C137 PolarHBondContact O-N 3.29Å; V134-I138 HydrophobicContact CG1-CD1 4.1Å; V134-I138 VanDerWaalsContact O-CG1 3.3Å; V134-I138 WeakPolarHBondContact O-CG1 3.41Å; V134-I138 PolarHBondContact O-N 2.8Å
135	L	65.8	Low	64.8	Low	80 Å²	80	78.2 Å²	78.2	42%	0.419	45%	0.446	S	S	.	.	H	α-helix	trans	-72.1	-36.6	-179.9	-147.3	129.4	0	0	0	112.3	F41 L131 W132 S133 I138 I139	F41-L135 HydrophobicContact CE1-CB 3.89Å; F41-L135 HydrophobicContact CE1-CD1 4.02Å; F41-L135 HydrophobicContact CE1-CG 4.43Å; F41-L135 HydrophobicContact CZ-CB 3.9Å; F41-L135 HydrophobicContact CZ-CD1 3.66Å; F41-L135 HydrophobicContact CZ-CD2 4.1Å; F41-L135 HydrophobicContact CZ-CG 4.05Å; L131-L135 PolarHBondContact O-N 3Å; W132-L135 PolarHBondContact O-N 3.26Å; S133-L135 VanDerWaalsContact C-N 3.33Å; S133-L135 PolarHBondContact O-N 3.2Å; L135-I138 PolarHBondContact O-N 3.11Å; L135-I139 HydrophobicContact CD2-CD1 3.85Å; L135-I139 WeakPolarHBondContact O-CG1 3.43Å; L135-I139 PolarHBondContact O-N 3.01Å; L135-I139 VanDerWaalsContact O-N 3.16Å
136	V	67.9	Low	65.5	Low	68 Å²	68	78.4 Å²	78.4	41%	0.412	45%	0.448	S	S	.	.	H	α-helix	trans	-62.9	-43.3	170.4	170.7	0	0	0	0	110.4	W132 S133 I138 I139 V140	W132-V136 HydrophobicContact CE3-CG2 4.16Å; W132-V136 WeakPolarHBondContact O-CB 3.45Å; W132-V136 WeakPolarHBondContact O-CG2 3.22Å; W132-V136 PolarHBondContact O-N 3.11Å; S133-V136 PolarHBondContact O-N 3.24Å; V136-I138 PolarHBondContact O-N 2.99Å; V136-I139 PolarHBondContact O-N 3.44Å; V136-V140 HydrophobicContact CG1-CG2 3.73Å; V136-V140 VanDerWaalsContact O-CB 3.27Å; V136-V140 WeakPolarHBondContact O-CB 3.41Å; V136-V140 WeakPolarHBondContact O-CG2 3.45Å; V136-V140 PolarHBondContact O-N 2.92Å
137	C	65.2	Low	66.3	Low	64 Å²	64	78.8 Å²	78.8	43%	0.432	45%	0.45	S	S	.	.	H	α-helix	trans	-59.7	-44.6	175	-71.6	0	0	0	0	111.7	S133 V134 I139 V140 I141	S133-C137 WeakPolarHBondContact O-CB 3.39Å; S133-C137 PolarHBondContact O-N 3.39Å; S133-C137 PolarHBondContact O-SG 2.64Å; V134-C137 WeakPolarHBondContact O-CB 3.41Å; V134-C137 PolarHBondContact O-N 3.29Å; C137-I139 PolarHBondContact O-N 3.45Å; C137-V140 PolarHBondContact O-N 2.92Å; C137-I141 HydrophobicContact CB-CD1 4.04Å; C137-I141 WeakPolarHBondContact O-CB 3.3Å; C137-I141 VanDerWaalsContact O-CD1 3.27Å; C137-I141 WeakPolarHBondContact O-CD1 3.32Å; C137-I141 WeakPolarHBondContact O-CG1 3.43Å; C137-I141 PolarHBondContact O-N 3.08Å
138	I	68.4	Low	67.3	Low	82 Å²	82	73.3 Å²	73.3	42%	0.421	42%	0.424	S	S	.	.	H	α-helix	trans	-62.7	-29.4	178.4	-68.4	165.1	0	0	0	112.4	V134 L135 V136 P142 P184	V134-I138 HydrophobicContact CG1-CD1 4.1Å; V134-I138 VanDerWaalsContact O-CG1 3.3Å; V134-I138 WeakPolarHBondContact O-CG1 3.41Å; V134-I138 PolarHBondContact O-N 2.8Å; L135-I138 PolarHBondContact O-N 3.11Å; V136-I138 PolarHBondContact O-N 2.99Å; I138-P142 WeakPolarHBondContact O-CD 3.49Å; I138-P142 WeakPolarHBondContact O-CG 3.42Å; I138-P184 HydrophobicContact CG2-CB 4.36Å; I138-P184 HydrophobicContact CG2-CG 4.04Å
139	I	69.8	Low	68	Low	96 Å²	96	76.6 Å²	76.6	49%	0.492	42%	0.42	S	S	.	.	H	α-helix	trans	-87.8	-43.2	178	-65	171.4	0	0	0	111.5	L135 V136 C137 P142 V143	L135-I139 HydrophobicContact CD2-CD1 3.85Å; L135-I139 WeakPolarHBondContact O-CG1 3.43Å; L135-I139 PolarHBondContact O-N 3.01Å; L135-I139 VanDerWaalsContact O-N 3.16Å; V136-I139 PolarHBondContact O-N 3.44Å; C137-I139 PolarHBondContact O-N 3.45Å; I139-P142 WeakPolarHBondContact O-CD 3.43Å; I139-P142 WeakPolarHBondContact O-CG 3.36Å; I139-V143 VanDerWaalsContact O-CG2 3.26Å; I139-V143 WeakPolarHBondContact O-CG2 3.39Å; I139-V143 PolarHBondContact O-N 3.15Å
140	V	73.6	Confident	68.5	Low	73 Å²	73	81.1 Å²	81.1	44%	0.442	43%	0.433	S	S	.	.	H	α-helix	trans	-72	-39.3	-175.1	174	0	0	0	0	111.2	V136 C137 V143 V144	V136-V140 HydrophobicContact CG1-CG2 3.73Å; V136-V140 VanDerWaalsContact O-CB 3.27Å; V136-V140 WeakPolarHBondContact O-CB 3.41Å; V136-V140 WeakPolarHBondContact O-CG2 3.45Å; V136-V140 PolarHBondContact O-N 2.92Å; C137-V140 PolarHBondContact O-N 2.92Å; V140-V143 PolarHBondContact O-N 3.34Å; V140-V144 HydrophobicContact CG1-CG2 3.86Å; V140-V144 WeakPolarHBondContact O-CB 3.13Å; V140-V144 WeakPolarHBondContact O-CG2 3.3Å; V140-V144 PolarHBondContact O-N 3.07Å
141	I	72.3	Confident	68.7	Low	95 Å²	95	85.3 Å²	85.3	49%	0.487	46%	0.458	S	S	.	.	H	α-helix	trans	-58.4	-50.9	179.5	-67.6	166.4	0	0	0	112.4	C137 V144 L145	C137-I141 HydrophobicContact CB-CD1 4.04Å; C137-I141 WeakPolarHBondContact O-CB 3.3Å; C137-I141 VanDerWaalsContact O-CD1 3.27Å; C137-I141 WeakPolarHBondContact O-CD1 3.32Å; C137-I141 WeakPolarHBondContact O-CG1 3.43Å; C137-I141 PolarHBondContact O-N 3.08Å; I141-V144 PolarHBondContact O-N 3.36Å; I141-L145 HydrophobicContact CG2-CD1 3.98Å; I141-L145 HydrophobicContact CG2-CG 4.5Å; I141-L145 WeakPolarHBondContact O-CB 3.07Å; I141-L145 VanDerWaalsContact O-CG 3.29Å; I141-L145 WeakPolarHBondContact O-CG 3.22Å; I141-L145 PolarHBondContact O-N 2.99Å
142	P	70	Confident	68.7	Low	47 Å²	47	93.2 Å²	93.2	31%	0.305	49%	0.485	S	S	.	.	H	α-helix	trans	-69.6	-31.4	177.8	22.7	-30.3	0	0	0	113.2	I138 I139 L145 L146	I138-P142 WeakPolarHBondContact O-CD 3.49Å; I138-P142 WeakPolarHBondContact O-CG 3.42Å; I139-P142 WeakPolarHBondContact O-CD 3.43Å; I139-P142 WeakPolarHBondContact O-CG 3.36Å; P142-L145 PolarHBondContact O-N 3.4Å; P142-L146 WeakPolarHBondContact O-CB 3.46Å; P142-L146 PolarHBondContact O-N 3.47Å
143	V	73.9	Confident	67.9	Low	80 Å²	80	88.6 Å²	88.6	49%	0.485	48%	0.482	S	S	.	.	H	α-helix	trans	-67	-42.1	173.5	172.8	0	0	0	0	110.8	I139 V140 L146 V147	I139-V143 VanDerWaalsContact O-CG2 3.26Å; I139-V143 WeakPolarHBondContact O-CG2 3.39Å; I139-V143 PolarHBondContact O-N 3.15Å; V140-V143 PolarHBondContact O-N 3.34Å; V143-L146 PolarHBondContact O-N 3.47Å; V143-V147 HydrophobicContact CG1-CG2 4.49Å; V143-V147 VanDerWaalsContact O-CG2 3.27Å; V143-V147 WeakPolarHBondContact O-CG2 3.48Å; V143-V147 PolarHBondContact O-N 3.14Å
144	V	73.7	Confident	67.4	Low	78 Å²	78	95.6 Å²	95.6	47%	0.473	51%	0.509	S	S	.	.	H	α-helix	trans	-65.6	-42.2	174.9	171.3	0	0	0	0	110.6	V140 I141 L146 V147 V148	V140-V144 HydrophobicContact CG1-CG2 3.86Å; V140-V144 WeakPolarHBondContact O-CB 3.13Å; V140-V144 WeakPolarHBondContact O-CG2 3.3Å; V140-V144 PolarHBondContact O-N 3.07Å; I141-V144 PolarHBondContact O-N 3.36Å; V144-L146 VanDerWaalsContact C-N 3.34Å; V144-L146 PolarHBondContact O-N 3.28Å; V144-V147 PolarHBondContact O-N 3.34Å; V144-V148 HydrophobicContact CG1-CG2 4.29Å; V144-V148 WeakPolarHBondContact O-CB 3.32Å; V144-V148 WeakPolarHBondContact O-CG2 3.41Å; V144-V148 PolarHBondContact O-N 3.16Å
145	L	70.5	Confident	66.4	Low	95 Å²	95	98.1 Å²	98.1	50%	0.497	53%	0.527	S	S	.	.	H	α-helix	trans	-62.1	-39.5	173.9	-73.7	170.4	0	0	0	112.2	I141 P142 F149	I141-L145 HydrophobicContact CG2-CD1 3.98Å; I141-L145 HydrophobicContact CG2-CG 4.5Å; I141-L145 WeakPolarHBondContact O-CB 3.07Å; I141-L145 VanDerWaalsContact O-CG 3.29Å; I141-L145 WeakPolarHBondContact O-CG 3.22Å; I141-L145 PolarHBondContact O-N 2.99Å; P142-L145 PolarHBondContact O-N 3.4Å; L145-F149 VanDerWaalsContact O-CB 3.24Å; L145-F149 WeakPolarHBondContact O-CB 3.42Å; L145-F149 PolarHBondContact O-N 3.4Å
146	L	69.8	Low	65.1	Low	97 Å²	97	102.9 Å²	102.9	51%	0.508	55%	0.547	S	S	.	.	H	α-helix	trans	-64.6	-44.9	173.5	-97.5	164.7	0	0	0	111.8	P142 V143 V144 F149 F150	P142-L146 WeakPolarHBondContact O-CB 3.46Å; P142-L146 PolarHBondContact O-N 3.47Å; V143-L146 PolarHBondContact O-N 3.47Å; V144-L146 VanDerWaalsContact C-N 3.34Å; V144-L146 PolarHBondContact O-N 3.28Å; L146-F149 WeakPolarHBondContact O-CB 3.16Å; L146-F149 PolarHBondContact O-N 3.11Å; L146-F150 HydrophobicContact CD2-CD2 4.34Å; L146-F150 HydrophobicContact CD2-CE2 4.06Å; L146-F150 VanDerWaalsContact O-CD2 3.31Å; L146-F150 WeakPolarHBondContact O-CD2 3.5Å; L146-F150 PolarHBondContact O-N 3.34Å
147	V	72.9	Confident	63.6	Low	81 Å²	81	106.3 Å²	106.3	49%	0.491	57%	0.568	S	S	.	*	H	α-helix	trans	-64.6	-42.4	177.4	171.4	0	0	0	0	110.6	V143 V144 F149 F150 V151	V143-V147 HydrophobicContact CG1-CG2 4.49Å; V143-V147 VanDerWaalsContact O-CG2 3.27Å; V143-V147 WeakPolarHBondContact O-CG2 3.48Å; V143-V147 PolarHBondContact O-N 3.14Å; V144-V147 PolarHBondContact O-N 3.34Å; V147-F149 VanDerWaalsContact C-N 3.32Å; V147-F149 PolarHBondContact O-N 3.5Å; V147-F150 PolarHBondContact O-N 3.38Å; V147-V151 HydrophobicContact CG1-CG2 4.16Å; V147-V151 WeakPolarHBondContact O-CB 3.31Å; V147-V151 WeakPolarHBondContact O-CG2 3.43Å; V147-V151 PolarHBondContact O-N 3.12Å
148	V	71.4	Confident	62.2	Low	63 Å²	63	111.8 Å²	111.8	38%	0.382	59%	0.587	S	S	.	*	H	α-helix	trans	-60.4	-42.7	173.1	167.3	0	0	0	0	110.7	V144 F150 V151 W152	V144-V148 HydrophobicContact CG1-CG2 4.29Å; V144-V148 WeakPolarHBondContact O-CB 3.32Å; V144-V148 WeakPolarHBondContact O-CG2 3.41Å; V144-V148 PolarHBondContact O-N 3.16Å; V148-F150 VanDerWaalsContact C-N 3.34Å; V148-F150 PolarHBondContact O-N 3.2Å; V148-V151 PolarHBondContact O-N 3.49Å; V148-W152 HydrophobicContact CG1-CE3 3.99Å; V148-W152 WeakPolarHBondContact O-CB 3.4Å; V148-W152 PolarHBondContact O-N 3.49Å
149	F	69.6	Low	60.8	Low	133 Å²	133	113 Å²	113	58%	0.583	60%	0.602	S	S	*	*	H	α-helix	trans	-61.7	-39.1	175.5	-178.1	-93.9	0	0	0	112.7	L145 L146 V147	L145-F149 VanDerWaalsContact O-CB 3.24Å; L145-F149 WeakPolarHBondContact O-CB 3.42Å; L145-F149 PolarHBondContact O-N 3.4Å; L146-F149 WeakPolarHBondContact O-CB 3.16Å; L146-F149 PolarHBondContact O-N 3.11Å; V147-F149 VanDerWaalsContact C-N 3.32Å; V147-F149 PolarHBondContact O-N 3.5Å
150	F	66.1	Low	59.3	Low	159 Å²	159	114.2 Å²	114.2	70%	0.697	62%	0.617	S	S	*	*	H	α-helix	trans	-75.7	-32.4	176.9	-90.3	-76.8	0	0	0	113.5	L146 V147 V148	L146-F150 HydrophobicContact CD2-CD2 4.34Å; L146-F150 HydrophobicContact CD2-CE2 4.06Å; L146-F150 VanDerWaalsContact O-CD2 3.31Å; L146-F150 WeakPolarHBondContact O-CD2 3.5Å; L146-F150 PolarHBondContact O-N 3.34Å; V147-F150 PolarHBondContact O-N 3.38Å; V148-F150 VanDerWaalsContact C-N 3.34Å; V148-F150 PolarHBondContact O-N 3.2Å
151	V	71.2	Confident	57.3	Low	112 Å²	112	119.2 Å²	119.2	68%	0.679	64%	0.635	S	S	*	*	H	α-helix	trans	-79.6	-34.4	179.9	171.8	0	0	0	0	111.8	V147 V148 G153	V147-V151 HydrophobicContact CG1-CG2 4.16Å; V147-V151 WeakPolarHBondContact O-CB 3.31Å; V147-V151 WeakPolarHBondContact O-CG2 3.43Å; V147-V151 PolarHBondContact O-N 3.12Å; V148-V151 PolarHBondContact O-N 3.49Å; V151-G153 VanDerWaalsContact C-N 3.34Å; V151-G153 PolarHBondContact O-N 3.41Å
152	W	64.1	Low	55.5	Low	213 Å²	213	123 Å²	123	81%	0.807	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	27.1	-178.7	-118.6	-56.4	0	0	0	113.7	V148	V148-W152 HydrophobicContact CG1-CE3 3.99Å; V148-W152 WeakPolarHBondContact O-CB 3.4Å; V148-W152 PolarHBondContact O-N 3.49Å
153	G	45.1	Very low	53.6	Low	48 Å²	48	127.2 Å²	127.2	50%	0.495	67%	0.668	S	S	.	*			trans	-34.9	142.4	-170.1	0	0	0	0	0	116.9	V151	V151-G153 VanDerWaalsContact C-N 3.34Å; V151-G153 PolarHBondContact O-N 3.41Å
154	F	50.1	Low	51.6	Low	178 Å²	178	131.8 Å²	131.8	78%	0.781	68%	0.684	S	S	*	*			trans	3.8	114.1	175.2	-74.9	-86.3	0	0	0	116.5	E156	F154-E156 PolarHBondContact O-N 2.83Å; F154-E156 VanDerWaalsContact O-N 3.15Å
155	P	43.7	Very low	50.2	Low	119 Å²	119	134.4 Å²	134.4	77%	0.773	70%	0.701	S	S	*	*			trans	-66.8	116.7	153.9	29.3	-27.6	0	0	0	107.1	V157	P155-V157 PolarHBondContact O-N 3.26Å
156	E	37	Very low	48.6	Very low	180 Å²	180	138.6 Å²	138.6	84%	0.841	72%	0.718	S	S	*	*			trans	-54.4	121.5	179.7	-157.1	157.4	-163.3	0	0	110.1	F154 Q158	F154-E156 PolarHBondContact O-N 2.83Å; F154-E156 VanDerWaalsContact O-N 3.15Å; E156-Q158 PolarHBondContact O-N 2.94Å; E156-Q158 VanDerWaalsContact O-N 3.08Å
157	V	38.1	Very low	47.2	Very low	140 Å²	140	140.9 Å²	140.9	85%	0.848	74%	0.735	S	S	*	*			trans	-69.2	104.2	-178.7	174.8	0	0	0	0	108.8	P155	P155-V157 PolarHBondContact O-N 3.26Å
158	Q	35.1	Very low	45.6	Very low	179 Å²	179	140.7 Å²	140.7	84%	0.836	73%	0.734	S	S	*	*			trans	-103.7	120	156.9	-74.4	-175.2	-2.4	0	0	108.5	E156	E156-Q158 PolarHBondContact O-N 2.94Å; E156-Q158 VanDerWaalsContact O-N 3.08Å
159	S	38.3	Very low	44.4	Very low	107 Å²	107	147 Å²	147	75%	0.748	76%	0.757	S	S	*	*			trans	-65.4	144.7	165.5	56.6	0	0	0	0	110.2
160	P	39.4	Very low	43.3	Very low	122 Å²	122	145.2 Å²	145.2	79%	0.792	76%	0.756	S	S	*	*				-150.4	157.6	87.9	34.2	-13.7	0	0	0	117.2
161	Q	30.4	Very low	42.1	Very low	178 Å²	178	142.9 Å²	142.9	83%	0.832	75%	0.751	S	S	*	*			trans	16.3	128.2	150.4	-111.7	173	-17.8	0	0	124.4
162	K	35	Very low	40.9	Very low	175 Å²	175	144.3 Å²	144.3	76%	0.761	75%	0.754	S	S	*	*			trans	55.2	106.9	137.1	-88.4	-173.5	176.3	-178.9	0	121.4
163	N	29.8	Very low	40.1	Very low	134 Å²	134	140 Å²	140	72%	0.717	75%	0.746	S	S	*	*				139.4	132.9	114.6	-77.5	-5.2	0	0	0	113.6
164	E	33.3	Very low	40	Very low	177 Å²	177	143.2 Å²	143.2	83%	0.827	75%	0.748	S	S	*	*			trans	68.1	114.3	155.7	-67	-178.8	-175.3	0	0	120.8
165	T	44.1	Very low	40	Very low	133 Å²	133	135.9 Å²	135.9	82%	0.816	72%	0.723	S	S	*	*			trans	41.1	83	146.1	23.9	0	0	0	0	119.1
166	E	36	Very low	40.4	Very low	183 Å²	183	132.6 Å²	132.6	86%	0.855	71%	0.706	S	S	*	*			trans	-134.5	122.6	139.2	-80.3	-165	152	0	0	108.7	T168	E166-T168 PolarHBondContact O-N 3.33Å
167	V	40.1	Very low	40.8	Very low	145 Å²	145	128.8 Å²	128.8	88%	0.879	69%	0.691	S	S	*	*			trans	-60.4	110.6	175.4	175.4	0	0	0	0	107.7	K169	V167-K169 PolarHBondContact O-N 2.84Å
168	T	39.8	Very low	41.3	Very low	77 Å²	77	129.5 Å²	129.5	47%	0.472	68%	0.682	S	S	.	*			trans	-60.4	117.6	-172.7	18.4	0	0	0	0	111.6	E166 V170 D171	E166-T168 PolarHBondContact O-N 3.33Å; T168-V170 HydrophobicContact CG2-CB 4.46Å; T168-V170 HydrophobicContact CG2-CG2 4.28Å; T168-V170 PolarHBondContact O-N 2.93Å; T168-D171 PolarHBondContact O-N 2.9Å; T168-D171 VanDerWaalsContact O-N 3.13Å
169	K	45.2	Very low	42	Very low	195 Å²	195	126.1 Å²	126.1	85%	0.848	67%	0.669	S	S	*	*	H	α-helix	trans	-53.6	-8.2	161.4	-80.8	176.9	176.2	170.9	0	113.7	V167	V167-K169 PolarHBondContact O-N 2.84Å
170	V	46.6	Very low	42.8	Very low	95 Å²	95	123.8 Å²	123.8	58%	0.576	65%	0.652	S	S	*	*	H	α-helix	trans	-78.6	-30.2	178.1	-170.1	0	0	0	0	112	T168 L172 L173 E174	T168-V170 HydrophobicContact CG2-CB 4.46Å; T168-V170 HydrophobicContact CG2-CG2 4.28Å; T168-V170 PolarHBondContact O-N 2.93Å; V170-L172 VanDerWaalsContact C-N 3.33Å; V170-L172 PolarHBondContact O-N 3.14Å; V170-L173 PolarHBondContact O-N 3.34Å; V170-E174 PolarHBondContact O-N 3.19Å
171	D	41.4	Very low	43.4	Very low	110 Å²	110	123.7 Å²	123.7	59%	0.588	65%	0.645	S	S	*	*	H	α-helix	trans	-73.3	-24.9	177.1	-83.3	-9.5	0	0	0	112.8	T168 G175	T168-D171 PolarHBondContact O-N 2.9Å; T168-D171 VanDerWaalsContact O-N 3.13Å; D171-G175 PolarHBondContact O-N 3.46Å; D171-G175 VanDerWaalsContact O-N 3.09Å
172	L	46.5	Very low	44.5	Very low	142 Å²	142	116.7 Å²	116.7	74%	0.743	62%	0.621	S	S	*	*	H	α-helix	trans	-77	-29.4	177.8	-163.5	72.2	0	0	0	112	V170 A176	V170-L172 VanDerWaalsContact C-N 3.33Å; V170-L172 PolarHBondContact O-N 3.14Å; L172-A176 WeakPolarHBondContact O-CB 3.21Å; L172-A176 PolarHBondContact O-N 3.15Å
173	L	46.4	Very low	45.5	Very low	122 Å²	122	113.4 Å²	113.4	64%	0.639	61%	0.61	S	S	*	*	H	α-helix	trans	-81.3	-40	-178.3	-159	77	0	0	0	111.7	V170 A176 I177	V170-L173 PolarHBondContact O-N 3.34Å; L173-A176 PolarHBondContact O-N 2.82Å; L173-I177 WeakPolarHBondContact O-CG1 3.36Å; L173-I177 PolarHBondContact O-N 3.5Å
174	E	44	Very low	46.8	Very low	116 Å²	116	109.5 Å²	109.5	54%	0.542	59%	0.592	S	S	.	*	H	α-helix	trans	-64.1	-43.4	168.2	-75.9	-170.6	162.6	0	0	110.6	V170 A176 I177 F178	V170-E174 PolarHBondContact O-N 3.19Å; E174-A176 VanDerWaalsContact C-N 3.3Å; E174-A176 PolarHBondContact O-N 3.13Å; E174-I177 PolarHBondContact O-N 3.25Å; E174-I177 VanDerWaalsContact O-N 3.16Å; E174-F178 HydrophobicContact CB-CE2 4.47Å; E174-F178 WeakPolarHBondContact O-CD2 3.49Å; E174-F178 PolarHBondContact O-N 3.38Å
175	G	50.7	Low	47.9	Very low	24 Å²	24	104 Å²	104	25%	0.247	58%	0.577	C	S	.	*	H	α-helix	trans	-56.4	-40	172.9	0	0	0	0	0	113.4	D171 F178 I179	D171-G175 PolarHBondContact O-N 3.46Å; D171-G175 VanDerWaalsContact O-N 3.09Å; G175-F178 PolarHBondContact O-N 2.79Å; G175-I179 VanDerWaalsContact O-CB 3.26Å; G175-I179 WeakPolarHBondContact O-CB 3.34Å; G175-I179 VanDerWaalsContact O-CD1 3.31Å; G175-I179 WeakPolarHBondContact O-CD1 3.43Å; G175-I179 WeakPolarHBondContact O-CG1 3.39Å; G175-I179 PolarHBondContact O-N 3.3Å
176	A	50.3	Low	48.5	Very low	51 Å²	51	100.1 Å²	100.1	42%	0.421	56%	0.558	S	S	.	*	H	α-helix	trans	-67.3	-34.9	177.2	0	0	0	0	0	113.1	L172 L173 E174 S180	L172-A176 WeakPolarHBondContact O-CB 3.21Å; L172-A176 PolarHBondContact O-N 3.15Å; L173-A176 PolarHBondContact O-N 2.82Å; E174-A176 VanDerWaalsContact C-N 3.3Å; E174-A176 PolarHBondContact O-N 3.13Å; A176-S180 WeakPolarHBondContact O-CB 3.34Å; A176-S180 PolarHBondContact O-N 2.77Å; A176-S180 PolarHBondContact O-OG 3.48Å
177	I	47.2	Very low	49.5	Very low	100 Å²	100	95.6 Å²	95.6	51%	0.513	54%	0.543	S	S	.	.	H	α-helix	trans	-69.8	-44	175.2	-63.6	168.1	0	0	0	110.3	L173 E174 I179 S180 L181	L173-I177 WeakPolarHBondContact O-CG1 3.36Å; L173-I177 PolarHBondContact O-N 3.5Å; E174-I177 PolarHBondContact O-N 3.25Å; E174-I177 VanDerWaalsContact O-N 3.16Å; I177-I179 PolarHBondContact O-N 3.37Å; I177-S180 WeakPolarHBondContact CA-OG 3.3Å; I177-S180 PolarHBondContact O-N 2.76Å; I177-S180 PolarHBondContact O-OG 3.39Å; I177-S180 VanDerWaalsContact O-OG 3.11Å; I177-L181 VanDerWaalsContact O-CB 3.31Å; I177-L181 WeakPolarHBondContact O-CB 3.29Å; I177-L181 PolarHBondContact O-N 2.76Å
178	F	48.7	Very low	50.5	Low	154 Å²	154	90.5 Å²	90.5	68%	0.675	52%	0.52	S	S	*	.	H	α-helix	trans	-66.5	-35	175.8	-72.9	-67.1	0	0	0	113.3	E174 G175 G182	E174-F178 HydrophobicContact CB-CE2 4.47Å; E174-F178 WeakPolarHBondContact O-CD2 3.49Å; E174-F178 PolarHBondContact O-N 3.38Å; G175-F178 PolarHBondContact O-N 2.79Å; F178-G182 WeakPolarHBondContact O-CA 3.29Å; F178-G182 PolarHBondContact O-N 2.97Å
179	I	49	Very low	51.4	Low	109 Å²	109	92 Å²	92	56%	0.559	53%	0.525	S	S	*	.	H	α-helix	trans	-76.2	-40.1	176.8	-67.4	164.5	0	0	0	110.8	G175 I177 I183	G175-I179 VanDerWaalsContact O-CB 3.26Å; G175-I179 WeakPolarHBondContact O-CB 3.34Å; G175-I179 VanDerWaalsContact O-CD1 3.31Å; G175-I179 WeakPolarHBondContact O-CD1 3.43Å; G175-I179 WeakPolarHBondContact O-CG1 3.39Å; G175-I179 PolarHBondContact O-N 3.3Å; I177-I179 PolarHBondContact O-N 3.37Å; I179-I183 HydrophobicContact CG2-CD1 3.72Å; I179-I183 HydrophobicContact CG2-CG1 4.49Å; I179-I183 WeakPolarHBondContact O-CG1 3.41Å; I179-I183 PolarHBondContact O-N 2.68Å
180	S	54.4	Low	52.3	Low	57 Å²	57	91.8 Å²	91.8	40%	0.399	52%	0.519	S	S	.	.	H	α-helix	trans	-70.3	-32.9	179.8	66.8	0	0	0	0	113.5	A176 I177 P184	A176-S180 WeakPolarHBondContact O-CB 3.34Å; A176-S180 PolarHBondContact O-N 2.77Å; A176-S180 PolarHBondContact O-OG 3.48Å; I177-S180 WeakPolarHBondContact CA-OG 3.3Å; I177-S180 PolarHBondContact O-N 2.76Å; I177-S180 PolarHBondContact O-OG 3.39Å; I177-S180 VanDerWaalsContact O-OG 3.11Å; S180-P184 WeakPolarHBondContact O-CD 3.45Å; S180-P184 VanDerWaalsContact O-CG 3.25Å; S180-P184 WeakPolarHBondContact O-CG 3.24Å
181	L	51.9	Low	53	Low	120 Å²	120	90.5 Å²	90.5	63%	0.628	51%	0.505	S	S	*	.	H	α-helix	trans	-91.8	-31.7	175.8	-147.7	77.8	0	0	0	112.4	I177 A185	I177-L181 VanDerWaalsContact O-CB 3.31Å; I177-L181 WeakPolarHBondContact O-CB 3.29Å; I177-L181 PolarHBondContact O-N 2.76Å; L181-A185 WeakPolarHBondContact O-CB 3.48Å; L181-A185 PolarHBondContact O-N 2.78Å
182	G	53.7	Low	53.9	Low	32 Å²	32	87.5 Å²	87.5	33%	0.33	50%	0.496	S	S	.	.	H	α-helix	trans	-71.2	-35.8	-177.8	0	0	0	0	0	114.1	F178 A186	F178-G182 WeakPolarHBondContact O-CA 3.29Å; F178-G182 PolarHBondContact O-N 2.97Å; G182-A186 WeakPolarHBondContact O-CB 3.06Å; G182-A186 PolarHBondContact O-N 2.9Å
183	I	55.9	Low	54.5	Low	106 Å²	106	85 Å²	85	54%	0.544	48%	0.482	S	S	.	.	H	α-helix	trans	-69.9	-48.1	178.3	-64.3	168.7	0	0	0	111.5	I179 A185 T187	I179-I183 HydrophobicContact CG2-CD1 3.72Å; I179-I183 HydrophobicContact CG2-CG1 4.49Å; I179-I183 WeakPolarHBondContact O-CG1 3.41Å; I179-I183 PolarHBondContact O-N 2.68Å; I183-A185 PolarHBondContact O-N 2.9Å; I183-T187 VanDerWaalsContact O-CB 3.28Å; I183-T187 WeakPolarHBondContact O-CB 3.46Å; I183-T187 PolarHBondContact O-N 3.46Å; I183-T187 PolarHBondContact O-OG1 3.47Å
184	P	58.1	Low	55.2	Low	51 Å²	51	84.5 Å²	84.5	33%	0.331	48%	0.477	S	S	.	.	H	α-helix	trans	-64.1	-37.1	172.5	-23	34.8	0	0	0	113	I138 S180 G188	I138-P184 HydrophobicContact CG2-CB 4.36Å; I138-P184 HydrophobicContact CG2-CG 4.04Å; S180-P184 WeakPolarHBondContact O-CD 3.45Å; S180-P184 VanDerWaalsContact O-CG 3.25Å; S180-P184 WeakPolarHBondContact O-CG 3.24Å; P184-G188 WeakPolarHBondContact O-CA 3.39Å; P184-G188 PolarHBondContact O-N 3.47Å
185	A	56.1	Low	55.9	Low	61 Å²	61	80.9 Å²	80.9	50%	0.504	46%	0.46	S	S	.	.	H	α-helix	trans	-68.5	-42.8	177.8	0	0	0	0	0	112.5	L181 I183 G188 L189	L181-A185 WeakPolarHBondContact O-CB 3.48Å; L181-A185 PolarHBondContact O-N 2.78Å; I183-A185 PolarHBondContact O-N 2.9Å; A185-G188 PolarHBondContact O-N 3.24Å; A185-L189 WeakPolarHBondContact O-CB 3.41Å; A185-L189 PolarHBondContact O-N 3.14Å
186	A	56.5	Low	56.1	Low	52 Å²	52	81.9 Å²	81.9	43%	0.43	47%	0.467	S	S	.	.	H	α-helix	trans	-69.3	-38.7	177	0	0	0	0	0	112	G182 L189 R190	G182-A186 WeakPolarHBondContact O-CB 3.06Å; G182-A186 PolarHBondContact O-N 2.9Å; A186-L189 PolarHBondContact O-N 3.47Å; A186-R190 WeakPolarHBondContact O-CB 3.44Å; A186-R190 WeakPolarHBondContact O-CG 3.48Å; A186-R190 PolarHBondContact O-N 2.98Å
187	T	57.8	Low	56.6	Low	88 Å²	88	83.9 Å²	83.9	54%	0.54	47%	0.47	S	S	.	.	H	α-helix	trans	-68.8	-42	175.3	-48.4	0	0	0	0	110.7	I183 R190 F191	I183-T187 VanDerWaalsContact O-CB 3.28Å; I183-T187 WeakPolarHBondContact O-CB 3.46Å; I183-T187 PolarHBondContact O-N 3.46Å; I183-T187 PolarHBondContact O-OG1 3.47Å; T187-R190 PolarHBondContact O-N 2.81Å; T187-F191 VanDerWaalsContact O-CB 3.28Å; T187-F191 WeakPolarHBondContact O-CB 3.42Å; T187-F191 PolarHBondContact O-N 3.41Å
188	G	61.4	Low	57.2	Low	38 Å²	38	80.6 Å²	80.6	39%	0.392	46%	0.456	S	S	.	.	H	α-helix	trans	-63.7	-38	173.5	0	0	0	0	0	112.9	P184 A185 F191 A192	P184-G188 WeakPolarHBondContact O-CA 3.39Å; P184-G188 PolarHBondContact O-N 3.47Å; A185-G188 PolarHBondContact O-N 3.24Å; G188-F191 PolarHBondContact O-N 3.37Å; G188-A192 VanDerWaalsContact O-CB 3.22Å; G188-A192 WeakPolarHBondContact O-CB 3.39Å; G188-A192 PolarHBondContact O-N 3.38Å
189	L	57.3	Low	57.7	Low	108 Å²	108	75.7 Å²	75.7	57%	0.565	44%	0.437	S	S	*	.	H	α-helix	trans	-69.7	-43	175.1	-177.1	64	0	0	0	111.6	A185 A186 F191 A192 I193	A185-L189 WeakPolarHBondContact O-CB 3.41Å; A185-L189 PolarHBondContact O-N 3.14Å; A186-L189 PolarHBondContact O-N 3.47Å; L189-F191 VanDerWaalsContact C-N 3.34Å; L189-A192 PolarHBondContact O-N 2.88Å; L189-I193 HydrophobicContact CD1-CD1 4.17Å; L189-I193 HydrophobicContact CD1-CG1 4.35Å; L189-I193 HydrophobicContact CG-CD1 3.87Å; L189-I193 HydrophobicContact CG-CG1 4.47Å; L189-I193 WeakPolarHBondContact O-CB 3.48Å; L189-I193 WeakPolarHBondContact O-CG1 3.49Å; L189-I193 PolarHBondContact O-N 2.95Å
190	R	64.2	Low	57.6	Low	192 Å²	192	75.9 Å²	75.9	73%	0.725	44%	0.443	S	S	*	.	H	α-helix	trans	-60.7	-44.3	172.7	-78.1	-176.6	179.9	-172.5	1.3	111.4	A186 T187 I193 Q194	A186-R190 WeakPolarHBondContact O-CB 3.44Å; A186-R190 WeakPolarHBondContact O-CG 3.48Å; A186-R190 PolarHBondContact O-N 2.98Å; T187-R190 PolarHBondContact O-N 2.81Å; R190-I193 PolarHBondContact O-N 3.04Å; R190-Q194 WeakPolarHBondContact O-CB 3.39Å; R190-Q194 WeakPolarHBondContact O-CG 3.37Å; R190-Q194 PolarHBondContact O-N 3.32Å
191	F	62.3	Low	57.5	Low	67 Å²	67	78.5 Å²	78.5	29%	0.294	45%	0.447	S	S	.	.	H	α-helix	trans	-63	-40.9	175.2	-171.2	-97	0	0	0	111.6	F97 V100 T101 T187 G188 L189 Q194 M195	F97-F191 HydrophobicContact CD1-CE1 4.47Å; F97-F191 HydrophobicContact CD1-CZ 4.28Å; F97-F191 AromaticContact CE1-CE1 3.96Å; F97-F191 HydrophobicContact CE1-CE1 3.96Å; F97-F191 HydrophobicContact CE1-CZ 4.22Å; V100-F191 HydrophobicContact CB-CE2 4.22Å; V100-F191 HydrophobicContact CG1-CD2 3.77Å; V100-F191 HydrophobicContact CG1-CE2 3.38Å; V100-F191 HydrophobicContact CG1-CZ 4.24Å; T101-F191 HydrophobicContact CG2-CE2 4.3Å; T101-F191 HydrophobicContact CG2-CZ 4.15Å; T187-F191 VanDerWaalsContact O-CB 3.28Å; T187-F191 WeakPolarHBondContact O-CB 3.42Å; T187-F191 PolarHBondContact O-N 3.41Å; G188-F191 PolarHBondContact O-N 3.37Å; L189-F191 VanDerWaalsContact C-N 3.34Å; F191-Q194 PolarHBondContact O-N 2.85Å; F191-M195 HydrophobicContact CD1-CE 3.62Å; F191-M195 HydrophobicContact CE1-CE 3.24Å; F191-M195 HydrophobicContact CZ-CE 4.22Å; F191-M195 WeakPolarHBondContact O-CB 3.44Å; F191-M195 PolarHBondContact O-N 3.09Å
192	A	58.8	Low	57.9	Low	48 Å²	48	74.2 Å²	74.2	40%	0.397	43%	0.427	S	S	.	.	H	α-helix	trans	-67.5	-38.2	176.1	0	0	0	0	0	112.7	G188 L189 M195 A196	G188-A192 VanDerWaalsContact O-CB 3.22Å; G188-A192 WeakPolarHBondContact O-CB 3.39Å; G188-A192 PolarHBondContact O-N 3.38Å; L189-A192 PolarHBondContact O-N 2.88Å; A192-M195 PolarHBondContact O-N 3.23Å; A192-A196 VanDerWaalsContact O-CB 3.3Å; A192-A196 WeakPolarHBondContact O-CB 3.43Å; A192-A196 PolarHBondContact O-N 3.29Å
193	I	60.8	Low	58.4	Low	88 Å²	88	73.3 Å²	73.3	45%	0.451	41%	0.414	S	S	.	.	H	α-helix	trans	-68.1	-44.9	174.9	-69.7	166.1	0	0	0	110.4	L189 R190 M195 A196 N197	L189-I193 HydrophobicContact CD1-CD1 4.17Å; L189-I193 HydrophobicContact CD1-CG1 4.35Å; L189-I193 HydrophobicContact CG-CD1 3.87Å; L189-I193 HydrophobicContact CG-CG1 4.47Å; L189-I193 WeakPolarHBondContact O-CB 3.48Å; L189-I193 WeakPolarHBondContact O-CG1 3.49Å; L189-I193 PolarHBondContact O-N 2.95Å; R190-I193 PolarHBondContact O-N 3.04Å; I193-M195 VanDerWaalsContact C-N 3.31Å; I193-M195 PolarHBondContact O-N 2.89Å; I193-A196 PolarHBondContact O-N 3.42Å; I193-N197 WeakPolarHBondContact O-CB 3.32Å; I193-N197 PolarHBondContact O-N 2.71Å
194	Q	60.3	Low	58.8	Low	113 Å²	113	69.1 Å²	69.1	53%	0.528	40%	0.395	S	S	.	.	H	α-helix	trans	-61.8	-41.1	174	-76.1	178.6	-18.4	0	0	111.3	R190 F191 N197 S198	R190-Q194 WeakPolarHBondContact O-CB 3.39Å; R190-Q194 WeakPolarHBondContact O-CG 3.37Å; R190-Q194 PolarHBondContact O-N 3.32Å; F191-Q194 PolarHBondContact O-N 2.85Å; Q194-N197 PolarHBondContact O-N 3.27Å; Q194-S198 WeakPolarHBondContact O-CB 3.45Å; Q194-S198 PolarHBondContact O-N 3.08Å; Q194-S198 PolarHBondContact O-OG 3.14Å
195	M	57.8	Low	59.1	Low	39 Å²	39	71.2 Å²	71.2	19%	0.192	40%	0.401	C	S	.	.	H	α-helix	trans	-62.9	-47.9	175.2	-173.8	-171.4	-56.1	0	0	111.4	F97 F191 A192 I193 N197 S198 L199	F97-M195 HydrophobicContact CD1-CE 4.33Å; F97-M195 HydrophobicContact CE1-CE 3.46Å; F97-M195 VanDerWaalsContact CE1-CE 3.46Å; F97-M195 HydrophobicContact CE1-SD 4.47Å; F97-M195 HydrophobicContact CE2-CE 4.03Å; F97-M195 HydrophobicContact CE2-SD 3.98Å; F97-M195 HydrophobicContact CZ-CE 3.27Å; F97-M195 HydrophobicContact CZ-SD 3.75Å; F191-M195 HydrophobicContact CD1-CE 3.62Å; F191-M195 HydrophobicContact CE1-CE 3.24Å; F191-M195 HydrophobicContact CZ-CE 4.22Å; F191-M195 WeakPolarHBondContact O-CB 3.44Å; F191-M195 PolarHBondContact O-N 3.09Å; A192-M195 PolarHBondContact O-N 3.23Å; I193-M195 VanDerWaalsContact C-N 3.31Å; I193-M195 PolarHBondContact O-N 2.89Å; M195-N197 VanDerWaalsContact C-N 3.34Å; M195-N197 PolarHBondContact O-N 3.14Å; M195-S198 WeakPolarHBondContact CA-OG 3.4Å; M195-S198 PolarHBondContact O-N 3.47Å; M195-S198 PolarHBondContact O-OG 3.24Å; M195-L199 HydrophobicContact CG-CD1 3.88Å; M195-L199 VanDerWaalsContact O-CG 3.28Å; M195-L199 WeakPolarHBondContact O-CG 3.49Å; M195-L199 PolarHBondContact O-N 3.26Å
196	A	55.1	Low	59.6	Low	46 Å²	46	72.4 Å²	72.4	38%	0.38	40%	0.398	S	S	.	.	H	α-helix	trans	-59.3	-45.4	177.1	0	0	0	0	0	111.3	A192 I193 S198 L199 V200	A192-A196 VanDerWaalsContact O-CB 3.3Å; A192-A196 WeakPolarHBondContact O-CB 3.43Å; A192-A196 PolarHBondContact O-N 3.29Å; I193-A196 PolarHBondContact O-N 3.42Å; A196-S198 PolarHBondContact O-N 3.2Å; A196-L199 PolarHBondContact O-N 2.8Å; A196-V200 WeakPolarHBondContact O-CB 3.39Å; A196-V200 VanDerWaalsContact O-CG2 3.22Å; A196-V200 WeakPolarHBondContact O-CG2 3.04Å; A196-V200 PolarHBondContact O-N 3.22Å
197	N	61.5	Low	60.2	Low	93 Å²	93	70.3 Å²	70.3	50%	0.497	38%	0.38	S	S	.	.	H	α-helix	trans	-61.9	-42.2	176.2	-75.4	-15.2	0	0	0	112.1	I193 Q194 M195 L199 F201	I193-N197 WeakPolarHBondContact O-CB 3.32Å; I193-N197 PolarHBondContact O-N 2.71Å; Q194-N197 PolarHBondContact O-N 3.27Å; M195-N197 VanDerWaalsContact C-N 3.34Å; M195-N197 PolarHBondContact O-N 3.14Å; N197-L199 VanDerWaalsContact C-N 3.31Å; N197-L199 PolarHBondContact O-N 3.36Å; N197-F201 PolarHBondContact O-N 2.68Å
198	S	60.5	Low	60.7	Low	30 Å²	30	71.3 Å²	71.3	21%	0.21	38%	0.377	C	S	.	.	H	α-helix	trans	-69.1	-24.4	178.8	73	0	0	0	0	114.3	Q194 M195 A196	Q194-S198 WeakPolarHBondContact O-CB 3.45Å; Q194-S198 PolarHBondContact O-N 3.08Å; Q194-S198 PolarHBondContact O-OG 3.14Å; M195-S198 WeakPolarHBondContact CA-OG 3.4Å; M195-S198 PolarHBondContact O-N 3.47Å; M195-S198 PolarHBondContact O-OG 3.24Å; A196-S198 PolarHBondContact O-N 3.2Å
199	L	57.7	Low	61	Low	52 Å²	52	76.1 Å²	76.1	27%	0.272	39%	0.387	S	S	.	.	H	α-helix	trans	-87.3	-33.8	177.5	-70.4	168.5	0	0	0	112.8	K92 L93 A96 M195 A196 N197	K92-L199 HydrophobicContact CB-CD2 4.26Å; L93-L199 HydrophobicContact CD2-CD1 3.49Å; L93-L199 VanDerWaalsContact CD2-CD1 3.49Å; L93-L199 HydrophobicContact CD2-CD2 3.7Å; L93-L199 HydrophobicContact CD2-CG 4.25Å; L93-L199 HydrophobicContact CG-CD2 4.38Å; A96-L199 HydrophobicContact CB-CD2 3.68Å; A96-L199 HydrophobicContact CB-CG 4.15Å; M195-L199 HydrophobicContact CG-CD1 3.88Å; M195-L199 VanDerWaalsContact O-CG 3.28Å; M195-L199 WeakPolarHBondContact O-CG 3.49Å; M195-L199 PolarHBondContact O-N 3.26Å; A196-L199 PolarHBondContact O-N 2.8Å; N197-L199 VanDerWaalsContact C-N 3.31Å; N197-L199 PolarHBondContact O-N 3.36Å
200	V	48.3	Very low	61.2	Low	113 Å²	113	71.3 Å²	71.3	69%	0.685	36%	0.363	S	S	*	.	H	α-helix	trans	-80.8	-40.4	-178.4	173.9	0	0	0	0	111.2	A196 S202	A196-V200 WeakPolarHBondContact O-CB 3.39Å; A196-V200 VanDerWaalsContact O-CG2 3.22Å; A196-V200 WeakPolarHBondContact O-CG2 3.04Å; A196-V200 PolarHBondContact O-N 3.22Å; V200-S202 PolarHBondContact O-N 3.09Å
201	F	52	Low	61.4	Low	111 Å²	111	63.1 Å²	63.1	49%	0.487	33%	0.334	S	S	.	.	S	Bend	trans	-92	83.3	172.4	-71.2	-86.1	0	0	0	110.3	N197 Q203	N197-F201 PolarHBondContact O-N 2.68Å; F201-Q203 PolarHBondContact O-N 2.93Å
202	S	60.4	Low	61.4	Low	31 Å²	31	65.3 Å²	65.3	22%	0.217	35%	0.348	C	S	.	.			trans	-54.1	129.9	171.7	-179	0	0	0	0	109.3	Q87 V200 A204 H205 N206	Q87-S202 PolarHBondContact NE2-OG 3.35Å; Q87-S202 VanDerWaalsContact NE2-OG 3.09Å; V200-S202 PolarHBondContact O-N 3.09Å; S202-A204 PolarHBondContact O-N 2.73Å; S202-H205 VanDerWaalsContact O-CA 3.31Å; S202-H205 WeakPolarHBondContact O-CA 3.19Å; S202-H205 WeakPolarHBondContact O-CB 3.23Å; S202-H205 PolarHBondContact O-N 2.84Å; S202-N206 PolarHBondContact O-N 2.89Å
203	Q	64.4	Low	61.9	Low	12 Å²	12	66.2 Å²	66.2	6%	0.056	35%	0.347	C	S	.	.	H	α-helix	trans	-53.9	-31.1	179.2	-70.7	134.6	11.3	0	0	113.1	F83 R99 F201 H205 N206 I207	F83-Q203 HydrophobicContact CD1-CB 4.32Å; F83-Q203 VanDerWaalsContact CD1-OE1 3.26Å; F83-Q203 HydrophobicContact CE1-CB 4.29Å; R99-Q203 VanDerWaalsContact NE-NE2 3.18Å; R99-Q203 VanDerWaalsContact NH1-NE2 3.16Å; F201-Q203 PolarHBondContact O-N 2.93Å; Q203-H205 PolarHBondContact O-N 2.88Å; Q203-N206 PolarHBondContact O-N 3.16Å; Q203-I207 WeakPolarHBondContact O-CG1 3.25Å; Q203-I207 PolarHBondContact O-N 2.94Å
204	A	62.4	Low	61.9	Low	18 Å²	18	67.7 Å²	67.7	15%	0.149	35%	0.352	C	S	.	.	H	α-helix	trans	-56	-32.2	170.5	0	0	0	0	0	112.7	I80 S202 K208	I80-A204 HydrophobicContact CG2-CB 4.16Å; S202-A204 PolarHBondContact O-N 2.73Å; A204-K208 WeakPolarHBondContact O-CB 3.42Å; A204-K208 PolarHBondContact O-N 3.28Å
205	H	65.6	Low	61.8	Low	96 Å²	96	72.9 Å²	72.9	44%	0.444	37%	0.366	S	S	.	.	H	α-helix	trans	-73.1	-38.1	173.5	-171.5	75.9	0	0	0	112.5	S202 Q203 K208 K209	S202-H205 VanDerWaalsContact O-CA 3.31Å; S202-H205 WeakPolarHBondContact O-CA 3.19Å; S202-H205 WeakPolarHBondContact O-CB 3.23Å; S202-H205 PolarHBondContact O-N 2.84Å; Q203-H205 PolarHBondContact O-N 2.88Å; H205-K208 PolarHBondContact O-N 3.36Å; H205-K209 WeakPolarHBondContact O-CB 3.17Å; H205-K209 PolarHBondContact O-N 2.99Å
206	N	66.9	Low	61.7	Low	85 Å²	85	74.9 Å²	74.9	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-67.6	-44.8	175.3	-71	-12.7	0	0	0	111.3	S202 Q203 K208 K209 G210	S202-N206 PolarHBondContact O-N 2.89Å; Q203-N206 PolarHBondContact O-N 3.16Å; N206-K208 VanDerWaalsContact C-N 3.33Å; N206-K208 PolarHBondContact O-N 3.21Å; N206-K209 PolarHBondContact O-N 2.6Å; N206-G210 PolarHBondContact O-N 3.12Å
207	I	69.1	Low	61.7	Low	8 Å²	8	73.4 Å²	73.4	4%	0.041	36%	0.364	C	S	.	.	H	α-helix	trans	-63.1	-41.4	174.4	-61.8	171.9	0	0	0	110.3	A76 A79 I80 F83 Q203 G210 M211 F222 V226	A76-I207 HydrophobicContact CB-CG2 4.03Å; A79-I207 HydrophobicContact CB-CD1 4.19Å; I80-I207 HydrophobicContact CD1-CB 4.5Å; I80-I207 HydrophobicContact CD1-CG2 4.01Å; I80-I207 HydrophobicContact CG1-CB 4.11Å; I80-I207 HydrophobicContact CG1-CG2 3.79Å; F83-I207 HydrophobicContact CD2-CD1 3.91Å; F83-I207 HydrophobicContact CE2-CD1 3.76Å; Q203-I207 WeakPolarHBondContact O-CG1 3.25Å; Q203-I207 PolarHBondContact O-N 2.94Å; I207-G210 PolarHBondContact O-N 2.73Å; I207-M211 WeakPolarHBondContact O-CB 3.23Å; I207-M211 PolarHBondContact O-N 2.95Å; I207-F222 HydrophobicContact CG2-CZ 4.25Å; I207-V226 HydrophobicContact CG2-CG2 4.34Å
208	K	67.3	Low	61.6	Low	110 Å²	110	76.3 Å²	76.3	48%	0.478	37%	0.373	S	S	.	.	H	α-helix	trans	-64.5	-43.9	175.7	-175	177.6	-179.3	-174.9	0	112.2	I80 A204 H205 N206 G210 M211 D212	I80-K208 HydrophobicContact CD1-CB 4.27Å; A204-K208 WeakPolarHBondContact O-CB 3.42Å; A204-K208 PolarHBondContact O-N 3.28Å; H205-K208 PolarHBondContact O-N 3.36Å; N206-K208 VanDerWaalsContact C-N 3.33Å; N206-K208 PolarHBondContact O-N 3.21Å; K208-G210 VanDerWaalsContact C-N 3.33Å; K208-G210 PolarHBondContact O-N 2.99Å; K208-M211 HydrophobicContact CG-CE 4.48Å; K208-M211 WeakPolarHBondContact O-CB 3.3Å; K208-M211 PolarHBondContact O-N 3.19Å; K208-D212 VanDerWaalsContact O-CG 3.24Å; K208-D212 PolarHBondContact O-N 3.16Å
209	K	67.4	Low	61.5	Low	138 Å²	138	81 Å²	81	60%	0.6	39%	0.391	S	S	*	.	H	α-helix	trans	-64.5	-36.6	176.1	-175.2	-179.9	177.8	-176.4	0	111.9	H205 N206 N213	H205-K209 WeakPolarHBondContact O-CB 3.17Å; H205-K209 PolarHBondContact O-N 2.99Å; N206-K209 PolarHBondContact O-N 2.6Å; K209-N213 WeakPolarHBondContact O-CB 3.47Å; K209-N213 PolarHBondContact O-N 3.21Å
210	G	63.1	Low	61.4	Low	7 Å²	7	86.2 Å²	86.2	7%	0.072	42%	0.419	C	S	.	.	H	α-helix	trans	-67.4	-38.2	172.7	0	0	0	0	0	112.6	N206 I207 K208 N213	N206-G210 PolarHBondContact O-N 3.12Å; I207-G210 PolarHBondContact O-N 2.73Å; K208-G210 VanDerWaalsContact C-N 3.33Å; K208-G210 PolarHBondContact O-N 2.99Å; G210-N213 PolarHBondContact O-N 3.07Å
211	M	67.6	Low	62.1	Low	21 Å²	21	82.5 Å²	82.5	10%	0.103	40%	0.403	C	S	.	.	H	α-helix	trans	-66.5	-39.4	174.9	-174.3	177.1	69.8	0	0	112.6	M73 A76 I207 K208 N213	M73-M211 HydrophobicContact CB-CG 4.3Å; A76-M211 HydrophobicContact CB-SD 4.23Å; I207-M211 WeakPolarHBondContact O-CB 3.23Å; I207-M211 PolarHBondContact O-N 2.95Å; K208-M211 HydrophobicContact CG-CE 4.48Å; K208-M211 WeakPolarHBondContact O-CB 3.3Å; K208-M211 PolarHBondContact O-N 3.19Å; M211-N213 VanDerWaalsContact C-N 3.29Å; M211-N213 PolarHBondContact O-N 2.93Å
212	D	63.1	Low	63.1	Low	112 Å²	112	77.8 Å²	77.8	60%	0.599	38%	0.382	S	S	*	.	H	α-helix	trans	-77.6	-13.2	-179.6	-64.3	-20.7	0	0	0	112.7	K208	K208-D212 VanDerWaalsContact O-CG 3.24Å; K208-D212 PolarHBondContact O-N 3.16Å
213	N	68.3	Low	63.6	Low	68 Å²	68	79.6 Å²	79.6	36%	0.364	39%	0.388	S	S	.	.			trans	-99	105.1	179.3	-171.4	-7	0	0	0	111.9	K209 G210 M211 R215 L216 S217	K209-N213 WeakPolarHBondContact O-CB 3.47Å; K209-N213 PolarHBondContact O-N 3.21Å; G210-N213 PolarHBondContact O-N 3.07Å; M211-N213 VanDerWaalsContact C-N 3.29Å; M211-N213 PolarHBondContact O-N 2.93Å; N213-R215 PolarHBondContact O-N 2.84Å; N213-R215 VanDerWaalsContact O-N 3.08Å; N213-R215 PolarHBondContact OD1-N 3.41Å; N213-L216 HydrophobicContact CB-CB 4.42Å; N213-L216 HydrophobicContact CB-CD1 4.2Å; N213-L216 HydrophobicContact CB-CG 4.42Å; N213-L216 WeakPolarHBondContact ND2-CD1 3.39Å; N213-L216 PolarHBondContact O-N 3.26Å; N213-S217 PolarHBondContact O-N 3.36Å; N213-S217 VanDerWaalsContact O-N 3.08Å; N213-S217 PolarHBondContact O-OG 2.99Å
214	E	61.3	Low	64	Low	119 Å²	119	82.9 Å²	82.9	56%	0.556	41%	0.406	S	S	*	.	H	α-helix	trans	-60.2	-22.8	-174.4	-149.9	-171.4	158	0	0	114.6	S217 K218	E214-S217 WeakPolarHBondContact CA-OG 3.45Å; E214-S217 PolarHBondContact O-OG 2.96Å; E214-K218 WeakPolarHBondContact O-CG 3.45Å; E214-K218 WeakPolarHBondContact OE1-CE 3.26Å; E214-K218 IonicContact OE1-NZ 2.76Å; E214-K218 PolarHBondContact OE1-NZ 3.25Å
215	R	58	Low	64.5	Low	221 Å²	221	88 Å²	88	83%	0.834	43%	0.427	S	S	*	.	H	α-helix	trans	-78.2	-32.8	176.8	-68.6	-174.9	-178.2	-175.5	0.9	112.9	N213	N213-R215 PolarHBondContact O-N 2.84Å; N213-R215 VanDerWaalsContact O-N 3.08Å; N213-R215 PolarHBondContact OD1-N 3.41Å
216	L	55.4	Low	65.1	Low	81 Å²	81	83.4 Å²	83.4	42%	0.424	41%	0.406	S	S	.	.	H	α-helix	trans	-86.3	-35.5	-179	-65.5	175.7	0	0	0	111.2	N213 K218 Q219 F222	N213-L216 HydrophobicContact CB-CB 4.42Å; N213-L216 HydrophobicContact CB-CD1 4.2Å; N213-L216 HydrophobicContact CB-CG 4.42Å; N213-L216 WeakPolarHBondContact ND2-CD1 3.39Å; N213-L216 PolarHBondContact O-N 3.26Å; L216-K218 VanDerWaalsContact C-N 3.33Å; L216-K218 PolarHBondContact O-N 3.45Å; L216-Q219 PolarHBondContact O-N 3.12Å; L216-F222 WeakPolarHBondContact O-CB 3.42Å
217	S	56.2	Low	65.6	Low	15 Å²	15	84.9 Å²	84.9	11%	0.105	41%	0.405	C	S	.	.	H	α-helix	trans	-69.1	-26.1	-179.4	67	0	0	0	0	114.2	N213 E214 Q219	N213-S217 PolarHBondContact O-N 3.36Å; N213-S217 VanDerWaalsContact O-N 3.08Å; N213-S217 PolarHBondContact O-OG 2.99Å; E214-S217 WeakPolarHBondContact CA-OG 3.45Å; E214-S217 PolarHBondContact O-OG 2.96Å; S217-Q219 VanDerWaalsContact C-N 3.34Å
218	K	59.1	Low	66	Low	155 Å²	155	87.1 Å²	87.1	67%	0.674	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-11.4	176.5	-73.2	178.3	-175.5	166.7	0	113.9	E214 L216	E214-K218 WeakPolarHBondContact O-CG 3.45Å; E214-K218 WeakPolarHBondContact OE1-CE 3.26Å; E214-K218 IonicContact OE1-NZ 2.76Å; E214-K218 PolarHBondContact OE1-NZ 3.25Å; L216-K218 VanDerWaalsContact C-N 3.33Å; L216-K218 PolarHBondContact O-N 3.45Å
219	Q	57.3	Low	66.5	Low	128 Å²	128	84 Å²	84	60%	0.598	40%	0.402	S	S	*	.	S	Bend	trans	-88.9	127.7	-177.3	-160.5	171.2	-13.8	0	0	109.8	L216 S217 G221 F222	L216-Q219 PolarHBondContact O-N 3.12Å; S217-Q219 VanDerWaalsContact C-N 3.34Å; Q219-G221 PolarHBondContact O-N 3.35Å; Q219-F222 PolarHBondContact O-N 2.9Å
220	L	56.7	Low	67.1	Low	162 Å²	162	77.7 Å²	77.7	85%	0.848	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-22.8	176.9	-146	89.3	0	0	0	112.9	F222	L220-F222 PolarHBondContact O-N 3.11Å
221	G	63.3	Low	67.8	Low	35 Å²	35	79.2 Å²	79.2	36%	0.361	38%	0.378	S	S	.	.	H	α-helix	trans	-65.2	-28	176.2	0	0	0	0	0	115.3	Q219 M223 N224 E225	Q219-G221 PolarHBondContact O-N 3.35Å; G221-M223 PolarHBondContact O-N 3.38Å; G221-N224 WeakPolarHBondContact O-CB 3.25Å; G221-N224 PolarHBondContact O-N 3.14Å; G221-N224 VanDerWaalsContact O-N 3.12Å; G221-E225 PolarHBondContact O-N 3.32Å
222	F	72.9	Confident	68.4	Low	12 Å²	12	78.2 Å²	78.2	5%	0.053	37%	0.373	C	S	.	.	H	α-helix	trans	-67.3	-35.8	-178.1	-179.7	-114.7	0	0	0	112.6	W75 A76 I207 L216 Q219 L220 N224 E225 V226	W75-F222 AromaticContact CH2-CD1 3.48Å; W75-F222 HydrophobicContact CH2-CD1 3.48Å; W75-F222 VanDerWaalsContact CH2-CD1 3.48Å; W75-F222 AromaticContact CH2-CE1 3.59Å; W75-F222 HydrophobicContact CH2-CE1 3.59Å; W75-F222 AromaticContact CZ2-CD1 3.91Å; W75-F222 HydrophobicContact CZ2-CD1 3.91Å; W75-F222 HydrophobicContact CZ2-CE1 4.12Å; W75-F222 HydrophobicContact CZ3-CE1 4.36Å; A76-F222 HydrophobicContact CB-CE1 4.32Å; I207-F222 HydrophobicContact CG2-CZ 4.25Å; L216-F222 WeakPolarHBondContact O-CB 3.42Å; Q219-F222 PolarHBondContact O-N 2.9Å; L220-F222 PolarHBondContact O-N 3.11Å; F222-N224 VanDerWaalsContact C-N 3.27Å; F222-N224 PolarHBondContact O-N 3.39Å; F222-E225 PolarHBondContact O-N 3.4Å; F222-V226 HydrophobicContact CD1-CG2 4.47Å; F222-V226 HydrophobicContact CD2-CG2 4.45Å; F222-V226 HydrophobicContact CE1-CG2 4.02Å; F222-V226 HydrophobicContact CE2-CG2 4.01Å; F222-V226 HydrophobicContact CZ-CG2 3.78Å; F222-V226 WeakPolarHBondContact O-CG2 3.47Å; F222-V226 PolarHBondContact O-N 3.45Å
223	M	70.3	Confident	69.3	Low	69 Å²	69	73.1 Å²	73.1	34%	0.34	35%	0.346	S	S	.	.	H	α-helix	trans	-64.7	-35.5	174	-172.1	179.2	69.4	0	0	111.3	W75 G221 V226 R227 I274	W75-M223 HydrophobicContact CH2-CB 4.14Å; W75-M223 HydrophobicContact CH2-CG 4.42Å; G221-M223 PolarHBondContact O-N 3.38Å; M223-V226 PolarHBondContact O-N 3Å; M223-R227 VanDerWaalsContact O-CB 3.31Å; M223-R227 WeakPolarHBondContact O-CB 3.22Å; M223-R227 PolarHBondContact O-N 3.48Å; M223-I274 HydrophobicContact CE-CD1 4.11Å; M223-I274 HydrophobicContact SD-CD1 4.24Å
224	N	72.9	Confident	69.8	Low	81 Å²	81	70.4 Å²	70.4	43%	0.433	33%	0.331	S	S	.	.	H	α-helix	trans	-67.3	-41.4	175.2	-166.5	45.7	0	0	0	111.7	G221 F222 V226 R227 K228	G221-N224 WeakPolarHBondContact O-CB 3.25Å; G221-N224 PolarHBondContact O-N 3.14Å; G221-N224 VanDerWaalsContact O-N 3.12Å; F222-N224 VanDerWaalsContact C-N 3.27Å; F222-N224 PolarHBondContact O-N 3.39Å; N224-V226 PolarHBondContact O-N 3.08Å; N224-R227 WeakPolarHBondContact O-CB 3.41Å; N224-R227 PolarHBondContact O-N 3.45Å; N224-K228 WeakPolarHBondContact O-CG 3.47Å; N224-K228 PolarHBondContact O-N 3.48Å
225	E	73.6	Confident	70.6	Confident	124 Å²	124	66 Å²	66	58%	0.579	31%	0.311	S	S	*	.	H	α-helix	trans	-59.8	-46.3	173.6	-69.9	-179	173.5	0	0	111.7	G221 F222 R227 K228 E229	G221-E225 PolarHBondContact O-N 3.32Å; F222-E225 PolarHBondContact O-N 3.4Å; E225-R227 VanDerWaalsContact C-N 3.31Å; E225-R227 PolarHBondContact O-N 2.88Å; E225-K228 PolarHBondContact O-N 3.01Å; E225-E229 VanDerWaalsContact O-CG 3.32Å; E225-E229 WeakPolarHBondContact O-CG 3.09Å; E225-E229 PolarHBondContact O-N 2.85Å
226	V	77.2	Confident	71.7	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-66.9	-34	177.3	176.6	0	0	0	0	111.7	W75 A79 I207 F222 M223 N224 E229 I230	W75-V226 HydrophobicContact CE3-CG1 4.39Å; W75-V226 HydrophobicContact CH2-CB 4.43Å; W75-V226 HydrophobicContact CH2-CG2 4.15Å; W75-V226 HydrophobicContact CZ3-CB 3.75Å; W75-V226 HydrophobicContact CZ3-CG1 3.8Å; W75-V226 HydrophobicContact CZ3-CG2 3.77Å; A79-V226 HydrophobicContact CB-CG1 3.63Å; I207-V226 HydrophobicContact CG2-CG2 4.34Å; F222-V226 HydrophobicContact CD1-CG2 4.47Å; F222-V226 HydrophobicContact CD2-CG2 4.45Å; F222-V226 HydrophobicContact CE1-CG2 4.02Å; F222-V226 HydrophobicContact CE2-CG2 4.01Å; F222-V226 HydrophobicContact CZ-CG2 3.78Å; F222-V226 WeakPolarHBondContact O-CG2 3.47Å; F222-V226 PolarHBondContact O-N 3.45Å; M223-V226 PolarHBondContact O-N 3Å; N224-V226 PolarHBondContact O-N 3.08Å; V226-E229 WeakPolarHBondContact O-CB 3.42Å; V226-E229 PolarHBondContact O-N 2.95Å; V226-I230 HydrophobicContact CG1-CD1 4.16Å; V226-I230 WeakPolarHBondContact O-CG1 3.43Å; V226-I230 PolarHBondContact O-N 2.82Å
227	R	77.9	Confident	73	Confident	116 Å²	116	51.6 Å²	51.6	44%	0.438	25%	0.251	S	S	.	.	H	α-helix	trans	-62.3	-48.4	173.6	-176.6	-177.5	178.7	-179.3	-0.1	111.5	M223 N224 E225 E229 I230 W231 L275	M223-R227 VanDerWaalsContact O-CB 3.31Å; M223-R227 WeakPolarHBondContact O-CB 3.22Å; M223-R227 PolarHBondContact O-N 3.48Å; N224-R227 WeakPolarHBondContact O-CB 3.41Å; N224-R227 PolarHBondContact O-N 3.45Å; E225-R227 VanDerWaalsContact C-N 3.31Å; E225-R227 PolarHBondContact O-N 2.88Å; R227-E229 PolarHBondContact O-N 3.31Å; R227-I230 PolarHBondContact O-N 2.97Å; R227-I230 VanDerWaalsContact O-N 3.12Å; R227-W231 PolarHBondContact O-N 3.27Å; R227-L275 HydrophobicContact CB-CD2 3.65Å; R227-L275 HydrophobicContact CG-CD2 3.98Å
228	K	76.2	Confident	74	Confident	55 Å²	55	51.5 Å²	51.5	24%	0.239	25%	0.249	C	C	.	.	H	α-helix	trans	-56.1	-42.3	174.8	-73.5	-174.5	171.3	-164.7	0	111.7	Y103 E105 N224 E225 W231 F232	Y103-K228 PolarHBondContact OH-O 3.25Å; E105-K228 IonicContact OE2-NZ 3.5Å; E105-K228 PolarHBondContact OE2-NZ 2.73Å; N224-K228 WeakPolarHBondContact O-CG 3.47Å; N224-K228 PolarHBondContact O-N 3.48Å; E225-K228 PolarHBondContact O-N 3.01Å; K228-W231 PolarHBondContact O-N 2.92Å; K228-F232 PolarHBondContact O-N 3.4Å
229	E	79	Confident	75	Confident	44 Å²	44	44.2 Å²	44.2	21%	0.206	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-39.2	177	-75.4	-70.7	161.4	0	0	112.5	F83 R99 E225 V226 R227 F232 L233	F83-E229 HydrophobicContact CE2-CB 3.95Å; F83-E229 HydrophobicContact CZ-CB 3.76Å; F83-E229 VanDerWaalsContact CZ-O 3.24Å; F83-E229 WeakPolarHBondContact CZ-O 3.43Å; F83-E229 VanDerWaalsContact CZ-OE2 3.29Å; F83-E229 WeakPolarHBondContact CZ-OE2 3.4Å; R99-E229 IonicContact CZ-OE1 3.46Å; R99-E229 IonicContact CZ-OE2 2.79Å; R99-E229 IonicContact NH1-OE1 2.84Å; R99-E229 PolarHBondContact NH1-OE1 2.82Å; R99-E229 IonicContact NH1-OE2 3Å; R99-E229 PolarHBondContact NH1-OE2 2.93Å; R99-E229 IonicContact NH2-OE1 3.94Å; R99-E229 PolarHBondContact NH2-OE1 2.76Å; R99-E229 IonicContact NH2-OE2 3.16Å; R99-E229 PolarHBondContact NH2-OE2 3.48Å; E225-E229 VanDerWaalsContact O-CG 3.32Å; E225-E229 WeakPolarHBondContact O-CG 3.09Å; E225-E229 PolarHBondContact O-N 2.85Å; V226-E229 WeakPolarHBondContact O-CB 3.42Å; V226-E229 PolarHBondContact O-N 2.95Å; R227-E229 PolarHBondContact O-N 3.31Å; E229-F232 WeakPolarHBondContact O-CB 3.46Å; E229-L233 PolarHBondContact O-N 3.01Å
230	I	79.9	Confident	75.9	Confident	6 Å²	6	38.1 Å²	38.1	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-70.6	-39.5	173.8	-71.8	172.7	0	0	0	111.5	A79 V226 R227 F232 L233 T234 L275	A79-I230 HydrophobicContact CB-CD1 4.05Å; A79-I230 HydrophobicContact CB-CG1 4.27Å; V226-I230 HydrophobicContact CG1-CD1 4.16Å; V226-I230 WeakPolarHBondContact O-CG1 3.43Å; V226-I230 PolarHBondContact O-N 2.82Å; R227-I230 PolarHBondContact O-N 2.97Å; R227-I230 VanDerWaalsContact O-N 3.12Å; I230-F232 VanDerWaalsContact C-N 3.31Å; I230-F232 PolarHBondContact O-N 3.21Å; I230-L233 WeakPolarHBondContact O-CB 3.3Å; I230-L233 PolarHBondContact O-N 3.36Å; I230-L233 VanDerWaalsContact O-N 3.07Å; I230-T234 PolarHBondContact O-N 2.93Å; I230-T234 PolarHBondContact O-OG1 2.94Å; I230-L275 HydrophobicContact CD1-CB 3.8Å; I230-L275 HydrophobicContact CD1-CD1 3.68Å; I230-L275 HydrophobicContact CD1-CD2 4.1Å; I230-L275 HydrophobicContact CD1-CG 4.06Å
231	W	78.6	Confident	77	Confident	38 Å²	38	30.8 Å²	30.8	14%	0.144	15%	0.15	C	C	.	.	H	α-helix	trans	-60.4	-42.3	175.4	-177.4	85.2	0	0	0	111.4	Y103 D107 E108 R227 K228 L233 T234 Q235	Y103-W231 HydrophobicContact CD2-CZ3 4.06Å; Y103-W231 AromaticContact CE2-CE3 3.53Å; Y103-W231 HydrophobicContact CE2-CE3 3.53Å; Y103-W231 AromaticContact CE2-CZ3 3.36Å; Y103-W231 HydrophobicContact CE2-CZ3 3.36Å; D107-W231 HydrophobicContact CB-CH2 4.04Å; E108-W231 HydrophobicContact CB-CH2 4.18Å; E108-W231 HydrophobicContact CB-CZ2 4.08Å; E108-W231 HydrophobicContact CG-CZ2 4.48Å; R227-W231 PolarHBondContact O-N 3.27Å; K228-W231 PolarHBondContact O-N 2.92Å; W231-L233 VanDerWaalsContact C-N 3.3Å; W231-L233 PolarHBondContact O-N 3.41Å; W231-T234 WeakPolarHBondContact O-CB 3.26Å; W231-T234 PolarHBondContact O-N 2.91Å; W231-T234 VanDerWaalsContact O-N 3.07Å; W231-Q235 HydrophobicContact CD2-CG 4.06Å; W231-Q235 VanDerWaalsContact CE2-NE2 3.26Å; W231-Q235 HydrophobicContact CE3-CG 4.28Å; W231-Q235 HydrophobicContact CH2-CG 4.04Å; W231-Q235 HydrophobicContact CZ2-CG 3.83Å; W231-Q235 HydrophobicContact CZ3-CG 4.28Å; W231-Q235 WeakPolarHBondContact O-CG 3.49Å; W231-Q235 PolarHBondContact O-N 3.43Å
232	F	80.1	Confident	77.6	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-53	-45.6	170.2	165.1	-99.6	0	0	0	112.4	F83 L95 Y98 R99 Y103 K228 E229 I230 T234 Q235 F236	F83-F232 HydrophobicContact CE1-CD1 4.26Å; L95-F232 HydrophobicContact CD1-CE1 3.67Å; L95-F232 HydrophobicContact CD1-CZ 4.02Å; L95-F232 HydrophobicContact CG-CE1 4Å; L95-F232 HydrophobicContact CG-CZ 4.27Å; Y98-F232 HydrophobicContact CD1-CD2 4.16Å; Y98-F232 AromaticContact CD1-CE2 3.43Å; Y98-F232 HydrophobicContact CD1-CE2 3.43Å; Y98-F232 VanDerWaalsContact CD1-CE2 3.43Å; Y98-F232 AromaticContact CD1-CZ 3.94Å; Y98-F232 HydrophobicContact CD1-CZ 3.94Å; Y98-F232 HydrophobicContact CE1-CD2 4.17Å; Y98-F232 AromaticContact CE1-CE2 3.91Å; Y98-F232 HydrophobicContact CE1-CE2 3.91Å; R99-F232 HydrophobicContact CB-CE2 3.61Å; R99-F232 HydrophobicContact CB-CZ 3.72Å; R99-F232 HydrophobicContact CG-CE2 4.14Å; R99-F232 HydrophobicContact CG-CZ 4.45Å; R99-F232 VanDerWaalsContact NH2-CE1 3.33Å; Y103-F232 HydrophobicContact CD1-CD2 4.45Å; Y103-F232 HydrophobicContact CD2-CB 4.08Å; Y103-F232 AromaticContact CD2-CD2 3.44Å; Y103-F232 HydrophobicContact CD2-CD2 3.44Å; Y103-F232 VanDerWaalsContact CD2-CD2 3.44Å; Y103-F232 HydrophobicContact CD2-CE2 4.36Å; Y103-F232 HydrophobicContact CD2-CG 4.24Å; Y103-F232 HydrophobicContact CE2-CB 3.57Å; Y103-F232 AromaticContact CE2-CD2 3.84Å; Y103-F232 HydrophobicContact CE2-CD2 3.84Å; Y103-F232 HydrophobicContact CE2-CG 4.2Å; Y103-F232 AromaticContact CG-CD2 3.74Å; Y103-F232 HydrophobicContact CG-CD2 3.74Å; Y103-F232 HydrophobicContact CG-CE2 4.32Å; K228-F232 PolarHBondContact O-N 3.4Å; E229-F232 WeakPolarHBondContact O-CB 3.46Å; I230-F232 VanDerWaalsContact C-N 3.31Å; I230-F232 PolarHBondContact O-N 3.21Å; F232-T234 VanDerWaalsContact C-N 3.34Å; F232-T234 PolarHBondContact O-N 3.17Å; F232-Q235 PolarHBondContact O-N 3.46Å; F232-F236 WeakPolarHBondContact O-CB 3.47Å; F232-F236 PolarHBondContact O-N 2.94Å
233	L	80.1	Confident	77.8	Confident	6 Å²	6	28.8 Å²	28.8	3%	0.031	13%	0.132	C	C	.	.	H	α-helix	trans	-62.2	-42	176.3	-71	-179	0	0	0	111.9	L82 F83 M86 L95 E229 I230 W231 F236 I237	L82-L233 HydrophobicContact CB-CD1 4.16Å; F83-L233 HydrophobicContact CD1-CD1 3.78Å; F83-L233 HydrophobicContact CD1-CD2 3.6Å; F83-L233 HydrophobicContact CD1-CG 3.94Å; F83-L233 HydrophobicContact CD2-CD1 3.86Å; F83-L233 HydrophobicContact CE1-CD1 3.69Å; F83-L233 HydrophobicContact CE1-CD2 3.38Å; F83-L233 HydrophobicContact CE1-CG 3.46Å; F83-L233 VanDerWaalsContact CE1-CG 3.46Å; F83-L233 HydrophobicContact CE2-CD1 3.74Å; F83-L233 HydrophobicContact CE2-CG 4.23Å; F83-L233 HydrophobicContact CG-CD1 3.85Å; F83-L233 HydrophobicContact CG-CD2 4.46Å; F83-L233 HydrophobicContact CG-CG 4.5Å; F83-L233 HydrophobicContact CZ-CD1 3.66Å; F83-L233 HydrophobicContact CZ-CD2 4.1Å; F83-L233 HydrophobicContact CZ-CG 3.61Å; M86-L233 HydrophobicContact CB-CD2 4.37Å; M86-L233 HydrophobicContact CG-CD2 4.02Å; L95-L233 HydrophobicContact CD1-CD2 3.96Å; E229-L233 PolarHBondContact O-N 3.01Å; I230-L233 WeakPolarHBondContact O-CB 3.3Å; I230-L233 PolarHBondContact O-N 3.36Å; I230-L233 VanDerWaalsContact O-N 3.07Å; W231-L233 VanDerWaalsContact C-N 3.3Å; W231-L233 PolarHBondContact O-N 3.41Å; L233-F236 WeakPolarHBondContact O-CB 3.37Å; L233-F236 PolarHBondContact O-N 3.14Å; L233-I237 VanDerWaalsContact O-CD1 3.23Å; L233-I237 WeakPolarHBondContact O-CD1 3.48Å; L233-I237 WeakPolarHBondContact O-CG1 3.34Å; L233-I237 PolarHBondContact O-N 2.93Å
234	T	79.3	Confident	77.9	Confident	10 Å²	10	25.6 Å²	25.6	6%	0.061	12%	0.116	C	C	.	.	H	α-helix	trans	-61	-44	177.3	-64.4	0	0	0	0	111.8	I230 W231 F232 I237 K238 P282	I230-T234 PolarHBondContact O-N 2.93Å; I230-T234 PolarHBondContact O-OG1 2.94Å; W231-T234 WeakPolarHBondContact O-CB 3.26Å; W231-T234 PolarHBondContact O-N 2.91Å; W231-T234 VanDerWaalsContact O-N 3.07Å; F232-T234 VanDerWaalsContact C-N 3.34Å; F232-T234 PolarHBondContact O-N 3.17Å; T234-I237 PolarHBondContact O-N 3.11Å; T234-K238 WeakPolarHBondContact O-CG 3.39Å; T234-K238 PolarHBondContact O-N 3.25Å; T234-P282 HydrophobicContact CG2-CG 4.3Å
235	Q	78.8	Confident	77.9	Confident	27 Å²	27	24 Å²	24	13%	0.126	11%	0.105	C	C	.	.	H	α-helix	trans	-68.2	-38.4	176.9	-58.4	-57.9	-21.4	0	0	112.1	Y98 W231 F232 I237 K238 F239	Y98-Q235 HydrophobicContact CE1-CB 4.39Å; Y98-Q235 VanDerWaalsContact OH-CB 3.28Å; Y98-Q235 WeakPolarHBondContact OH-CB 3.43Å; Y98-Q235 PolarHBondContact OH-O 2.86Å; W231-Q235 HydrophobicContact CD2-CG 4.06Å; W231-Q235 VanDerWaalsContact CE2-NE2 3.26Å; W231-Q235 HydrophobicContact CE3-CG 4.28Å; W231-Q235 HydrophobicContact CH2-CG 4.04Å; W231-Q235 HydrophobicContact CZ2-CG 3.83Å; W231-Q235 HydrophobicContact CZ3-CG 4.28Å; W231-Q235 WeakPolarHBondContact O-CG 3.49Å; W231-Q235 PolarHBondContact O-N 3.43Å; F232-Q235 PolarHBondContact O-N 3.46Å; Q235-I237 VanDerWaalsContact C-N 3.28Å; Q235-I237 PolarHBondContact O-N 3.47Å; Q235-K238 PolarHBondContact O-N 2.9Å; Q235-F239 PolarHBondContact O-N 3.25Å
236	F	81.3	Confident	78	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-59.5	-39.5	172.9	174.9	-104.4	0	0	0	112.2	F90 P94 L95 Y98 F232 L233 F239 M240	F90-F236 HydrophobicContact CB-CE1 4.08Å; F90-F236 HydrophobicContact CB-CZ 4.03Å; F90-F236 AromaticContact CD2-CE1 3.99Å; F90-F236 HydrophobicContact CD2-CE1 3.99Å; F90-F236 HydrophobicContact CG-CE1 4.01Å; F90-F236 HydrophobicContact CG-CZ 4.33Å; P94-F236 HydrophobicContact CB-CE2 4.43Å; P94-F236 HydrophobicContact CB-CZ 4.35Å; L95-F236 HydrophobicContact CB-CE2 4.5Å; L95-F236 HydrophobicContact CB-CZ 4.3Å; L95-F236 HydrophobicContact CD1-CB 4.4Å; L95-F236 HydrophobicContact CD1-CD1 3.62Å; L95-F236 HydrophobicContact CD1-CD2 4.01Å; L95-F236 HydrophobicContact CD1-CE1 3.72Å; L95-F236 HydrophobicContact CD1-CE2 4.07Å; L95-F236 HydrophobicContact CD1-CG 3.74Å; L95-F236 HydrophobicContact CD1-CZ 3.91Å; Y98-F236 HydrophobicContact CD1-CB 3.75Å; Y98-F236 AromaticContact CD1-CD2 3.7Å; Y98-F236 HydrophobicContact CD1-CD2 3.7Å; Y98-F236 HydrophobicContact CD1-CG 4.21Å; Y98-F236 HydrophobicContact CD2-CD2 4.27Å; Y98-F236 HydrophobicContact CE1-CB 3.8Å; Y98-F236 HydrophobicContact CE1-CD2 4.46Å; Y98-F236 HydrophobicContact CG-CB 4.46Å; Y98-F236 AromaticContact CG-CD2 3.62Å; Y98-F236 HydrophobicContact CG-CD2 3.62Å; Y98-F236 HydrophobicContact CG-CE2 4.42Å; F232-F236 WeakPolarHBondContact O-CB 3.47Å; F232-F236 PolarHBondContact O-N 2.94Å; L233-F236 WeakPolarHBondContact O-CB 3.37Å; L233-F236 PolarHBondContact O-N 3.14Å; F236-F239 WeakPolarHBondContact O-CB 3.42Å; F236-F239 PolarHBondContact O-N 2.99Å; F236-M240 HydrophobicContact CD1-CG 4.4Å; F236-M240 HydrophobicContact CD2-CE 4.29Å; F236-M240 HydrophobicContact CE1-CE 4.2Å; F236-M240 HydrophobicContact CE1-CG 4.03Å; F236-M240 HydrophobicContact CE2-CE 3.3Å; F236-M240 HydrophobicContact CE2-CG 4.25Å; F236-M240 HydrophobicContact CZ-CE 3.26Å; F236-M240 HydrophobicContact CZ-CG 3.99Å; F236-M240 HydrophobicContact CZ-SD 4.48Å; F236-M240 WeakPolarHBondContact O-CG 3.33Å; F236-M240 PolarHBondContact O-N 2.84Å
237	I	81.6	Confident	78	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.8	-45.5	176.5	-65.7	153.1	0	0	0	110.4	M86 L233 T234 Q235 F239 M240 E241 I248 I250 P282	M86-I237 HydrophobicContact CE-CD1 3.63Å; M86-I237 HydrophobicContact CE-CG1 4.06Å; M86-I237 HydrophobicContact SD-CD1 4.43Å; M86-I237 HydrophobicContact SD-CG1 4.26Å; L233-I237 VanDerWaalsContact O-CD1 3.23Å; L233-I237 WeakPolarHBondContact O-CD1 3.48Å; L233-I237 WeakPolarHBondContact O-CG1 3.34Å; L233-I237 PolarHBondContact O-N 2.93Å; T234-I237 PolarHBondContact O-N 3.11Å; Q235-I237 VanDerWaalsContact C-N 3.28Å; Q235-I237 PolarHBondContact O-N 3.47Å; I237-F239 VanDerWaalsContact C-N 3.26Å; I237-F239 PolarHBondContact O-N 2.71Å; I237-M240 CarbonylContact O-C 3.59Å; I237-M240 WeakPolarHBondContact O-CA 3.39Å; I237-M240 WeakPolarHBondContact O-CB 3.34Å; I237-M240 PolarHBondContact O-N 3.37Å; I237-E241 HydrophobicContact CG2-CG 4.23Å; I237-E241 WeakPolarHBondContact O-CG 3.3Å; I237-E241 PolarHBondContact O-N 2.98Å; I237-I248 HydrophobicContact CG2-CB 4.02Å; I237-I248 HydrophobicContact CG2-CG2 4.16Å; I237-I250 HydrophobicContact CD1-CD1 3.37Å; I237-I250 HydrophobicContact CD1-CG1 4.19Å; I237-P282 HydrophobicContact CB-CG 4.23Å; I237-P282 HydrophobicContact CD1-CG 3.79Å; I237-P282 HydrophobicContact CG2-CB 4.02Å; I237-P282 HydrophobicContact CG2-CG 3.93Å
238	K	78.2	Confident	78.2	Confident	13 Å²	13	15.6 Å²	15.6	6%	0.057	7%	0.068	C	C	.	.	H	α-helix	trans	-56.3	-42.5	175.5	-71.8	178.3	177.2	177.2	0	111.1	W46 K112 T234 Q235 E241 V242 E280	W46-K238 HydrophobicContact CE3-CB 4.12Å; W46-K238 HydrophobicContact CE3-CG 4.38Å; W46-K238 HydrophobicContact CH2-CG 4.48Å; W46-K238 HydrophobicContact CZ3-CB 3.94Å; W46-K238 HydrophobicContact CZ3-CG 4.1Å; K112-K238 VanDerWaalsContact NZ-NZ 3.12Å; T234-K238 WeakPolarHBondContact O-CG 3.39Å; T234-K238 PolarHBondContact O-N 3.25Å; Q235-K238 PolarHBondContact O-N 2.9Å; K238-E241 PolarHBondContact O-N 2.99Å; K238-V242 WeakPolarHBondContact O-CG2 3.21Å; K238-V242 PolarHBondContact O-N 2.98Å; K238-E280 WeakPolarHBondContact CE-O 3.31Å; K238-E280 VanDerWaalsContact NZ-CB 3.27Å; K238-E280 PolarHBondContact NZ-O 3.34Å; K238-E280 IonicContact NZ-OE2 2.66Å; K238-E280 PolarHBondContact NZ-OE2 3.34Å
239	F	79.1	Confident	78.6	Confident	1 Å²	1	19 Å²	19	0%	0.004	8%	0.079	C	C	.	.	H	α-helix	trans	-59.3	-47	172	176.6	-84.3	0	0	0	112.1	L39 P44 Y98 Q102 W121 Q235 F236 I237 E241 V242 F243	L39-F239 HydrophobicContact CB-CZ 4.43Å; L39-F239 HydrophobicContact CD2-CD1 3.99Å; L39-F239 HydrophobicContact CD2-CD2 4.26Å; L39-F239 HydrophobicContact CD2-CE1 3.42Å; L39-F239 VanDerWaalsContact CD2-CE1 3.42Å; L39-F239 HydrophobicContact CD2-CE2 3.73Å; L39-F239 HydrophobicContact CD2-CG 4.41Å; L39-F239 HydrophobicContact CD2-CZ 3.3Å; L39-F239 HydrophobicContact CG-CE1 3.84Å; L39-F239 HydrophobicContact CG-CE2 4.41Å; L39-F239 HydrophobicContact CG-CZ 3.62Å; P44-F239 HydrophobicContact CB-CD2 4.24Å; P44-F239 HydrophobicContact CG-CB 4.32Å; P44-F239 HydrophobicContact CG-CD2 3.75Å; Y98-F239 HydrophobicContact CD2-CB 4.3Å; Y98-F239 HydrophobicContact CD2-CD1 4.44Å; Y98-F239 HydrophobicContact CD2-CD2 4.26Å; Y98-F239 HydrophobicContact CD2-CG 4.07Å; Y98-F239 HydrophobicContact CE2-CB 3.74Å; Y98-F239 AromaticContact CE2-CD2 3.96Å; Y98-F239 HydrophobicContact CE2-CD2 3.96Å; Y98-F239 AromaticContact CE2-CG 3.87Å; Y98-F239 HydrophobicContact CE2-CG 3.87Å; Q102-F239 VanDerWaalsContact OE1-CD2 3.29Å; W121-F239 HydrophobicContact CH2-CD2 4.47Å; W121-F239 AromaticContact CH2-CE2 3.87Å; W121-F239 HydrophobicContact CH2-CE2 3.87Å; W121-F239 AromaticContact CH2-CZ 3.96Å; W121-F239 HydrophobicContact CH2-CZ 3.96Å; W121-F239 HydrophobicContact CZ3-CD2 4.32Å; W121-F239 AromaticContact CZ3-CE2 3.64Å; W121-F239 HydrophobicContact CZ3-CE2 3.64Å; W121-F239 HydrophobicContact CZ3-CZ 4.1Å; Q235-F239 PolarHBondContact O-N 3.25Å; F236-F239 WeakPolarHBondContact O-CB 3.42Å; F236-F239 PolarHBondContact O-N 2.99Å; I237-F239 VanDerWaalsContact C-N 3.26Å; I237-F239 PolarHBondContact O-N 2.71Å; F239-E241 VanDerWaalsContact C-N 3.31Å; F239-E241 PolarHBondContact O-N 3.47Å; F239-V242 PolarHBondContact O-N 3.22Å; F239-F243 HydrophobicContact CE1-CB 4.32Å; F239-F243 WeakPolarHBondContact O-CB 3.39Å; F239-F243 PolarHBondContact O-N 3.12Å
240	M	77.5	Confident	78.9	Confident	1 Å²	1	17 Å²	17	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-66.4	-31.2	179.5	-73.4	-63	175.5	0	0	113	L35 F90 P94 F236 I237 F243 E244 I248	L35-M240 HydrophobicContact CD1-CE 3.53Å; L35-M240 HydrophobicContact CD1-SD 3.65Å; L35-M240 HydrophobicContact CD2-CE 4.28Å; L35-M240 HydrophobicContact CG-CE 4.43Å; F90-M240 HydrophobicContact CD1-CG 4.1Å; F90-M240 HydrophobicContact CD1-SD 4.22Å; F90-M240 HydrophobicContact CE1-CB 4.17Å; F90-M240 HydrophobicContact CE1-CG 4.13Å; P94-M240 HydrophobicContact CB-CE 3.88Å; F236-M240 HydrophobicContact CD1-CG 4.4Å; F236-M240 HydrophobicContact CD2-CE 4.29Å; F236-M240 HydrophobicContact CE1-CE 4.2Å; F236-M240 HydrophobicContact CE1-CG 4.03Å; F236-M240 HydrophobicContact CE2-CE 3.3Å; F236-M240 HydrophobicContact CE2-CG 4.25Å; F236-M240 HydrophobicContact CZ-CE 3.26Å; F236-M240 HydrophobicContact CZ-CG 3.99Å; F236-M240 HydrophobicContact CZ-SD 4.48Å; F236-M240 WeakPolarHBondContact O-CG 3.33Å; F236-M240 PolarHBondContact O-N 2.84Å; I237-M240 CarbonylContact O-C 3.59Å; I237-M240 WeakPolarHBondContact O-CA 3.39Å; I237-M240 WeakPolarHBondContact O-CB 3.34Å; I237-M240 PolarHBondContact O-N 3.37Å; M240-F243 PolarHBondContact O-N 2.71Å; M240-E244 WeakPolarHBondContact O-CB 3.25Å; M240-E244 WeakPolarHBondContact O-CG 3.3Å; M240-E244 PolarHBondContact O-N 2.71Å; M240-I248 HydrophobicContact CB-CD1 3.88Å
241	E	78.3	Confident	79.3	Confident	8 Å²	8	17 Å²	17	4%	0.037	7%	0.07	C	C	.	.	H	α-helix	trans	-64.7	-42.8	175.1	-72.9	-178.6	124.1	0	0	111.6	W46 I237 K238 F239 K245 R246 R247 I248	W46-E241 HydrophobicContact CH2-CB 4.27Å; W46-E241 WeakPolarHBondContact CH2-OE2 3.39Å; W46-E241 HydrophobicContact CZ3-CB 4.12Å; I237-E241 HydrophobicContact CG2-CG 4.23Å; I237-E241 WeakPolarHBondContact O-CG 3.3Å; I237-E241 PolarHBondContact O-N 2.98Å; K238-E241 PolarHBondContact O-N 2.99Å; F239-E241 VanDerWaalsContact C-N 3.31Å; F239-E241 PolarHBondContact O-N 3.47Å; E241-K245 WeakPolarHBondContact O-CA 3.31Å; E241-K245 PolarHBondContact O-N 3.2Å; E241-R246 WeakPolarHBondContact CA-O 3.47Å; E241-R246 WeakPolarHBondContact CB-O 3.46Å; E241-R246 PolarHBondContact O-N 2.99Å; E241-R247 WeakPolarHBondContact OE1-CA 3.4Å; E241-R247 WeakPolarHBondContact OE1-CD 3.25Å; E241-R247 IonicContact OE1-NH1 2.68Å; E241-I248 HydrophobicContact CG-CB 3.82Å; E241-I248 HydrophobicContact CG-CD1 4.15Å; E241-I248 HydrophobicContact CG-CG1 3.87Å; E241-I248 PolarHBondContact OE1-N 3.18Å
242	V	77	Confident	79.8	Confident	3 Å²	3	15.1 Å²	15.1	2%	0.018	6%	0.063	C	C	.	.	H	α-helix	trans	-67.8	-39.1	174.5	-177.9	0	0	0	0	110.8	P44 W46 N120 W121 K238 F239	P44-V242 HydrophobicContact CB-CB 4.22Å; P44-V242 HydrophobicContact CB-CG1 4.34Å; P44-V242 HydrophobicContact CB-CG2 4.13Å; W46-V242 HydrophobicContact CE3-CG2 4.07Å; W46-V242 HydrophobicContact CZ3-CG2 4.16Å; N120-V242 HydrophobicContact CB-CG1 4.2Å; W121-V242 HydrophobicContact CD2-CG1 4.47Å; W121-V242 HydrophobicContact CH2-CG1 4.2Å; W121-V242 HydrophobicContact CZ2-CB 4.35Å; W121-V242 HydrophobicContact CZ2-CG1 3.66Å; K238-V242 WeakPolarHBondContact O-CG2 3.21Å; K238-V242 PolarHBondContact O-N 2.98Å; F239-V242 PolarHBondContact O-N 3.22Å
243	F	76.3	Confident	80.2	Confident	2 Å²	2	19.6 Å²	19.6	1%	0.009	8%	0.082	C	C	.	.	H	α-helix	trans	-68.4	-51.6	178.7	-179	-91.8	0	0	0	113.4	L23 L34 L35 W121 F239 M240 K245	L23-F243 VanDerWaalsContact CD1-O 3.24Å; L23-F243 WeakPolarHBondContact CD1-O 3.48Å; L34-F243 HydrophobicContact CG-CE2 4.35Å; L35-F243 HydrophobicContact CB-CD2 4.48Å; L35-F243 HydrophobicContact CB-CE1 4.2Å; L35-F243 HydrophobicContact CB-CE2 3.77Å; L35-F243 HydrophobicContact CB-CZ 3.61Å; L35-F243 HydrophobicContact CD1-CD1 3.66Å; L35-F243 HydrophobicContact CD1-CD2 4.24Å; L35-F243 HydrophobicContact CD1-CE1 3.63Å; L35-F243 HydrophobicContact CD1-CE2 4.2Å; L35-F243 HydrophobicContact CD1-CG 3.99Å; L35-F243 HydrophobicContact CD1-CZ 3.91Å; L35-F243 HydrophobicContact CG-CD2 4.43Å; L35-F243 HydrophobicContact CG-CE1 4.41Å; L35-F243 HydrophobicContact CG-CE2 4.2Å; L35-F243 HydrophobicContact CG-CZ 4.19Å; W121-F243 HydrophobicContact CH2-CB 4.32Å; W121-F243 HydrophobicContact CZ2-CB 4.36Å; F239-F243 HydrophobicContact CE1-CB 4.32Å; F239-F243 WeakPolarHBondContact O-CB 3.39Å; F239-F243 PolarHBondContact O-N 3.12Å; M240-F243 PolarHBondContact O-N 2.71Å; F243-K245 PolarHBondContact O-N 3.26Å
244	E	72.8	Confident	80.6	Confident	2 Å²	2	19.3 Å²	19.3	1%	0.009	8%	0.081	C	C	.	.	H	α-helix	trans	-75.4	-9.7	-179.1	-63.9	-168.1	163	0	0	112.4	L23 R57 M240 R246	L23-E244 PolarHBondContact N-O 2.87Å; R57-E244 IonicContact NH1-OE1 2.73Å; R57-E244 PolarHBondContact NH1-OE1 2.96Å; R57-E244 IonicContact NH1-OE2 3.05Å; R57-E244 PolarHBondContact NH1-OE2 3.13Å; M240-E244 WeakPolarHBondContact O-CB 3.25Å; M240-E244 WeakPolarHBondContact O-CG 3.3Å; M240-E244 PolarHBondContact O-N 2.71Å; E244-R246 HydrophobicContact CB-CG 3.83Å; E244-R246 VanDerWaalsContact CD-NH2 3.35Å; E244-R246 PolarHBondContact O-N 3.07Å; E244-R246 IonicContact OE1-NH2 2.7Å; E244-R246 IonicContact OE2-CZ 3.5Å; E244-R246 IonicContact OE2-NE 2.71Å; E244-R246 PolarHBondContact OE2-NE 3.16Å; E244-R246 IonicContact OE2-NH2 2.82Å; E244-R246 PolarHBondContact OE2-NH2 3.43Å
245	K	73.8	Confident	81	Confident	46 Å²	46	20.3 Å²	20.3	20%	0.2	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	33.6	-174.3	-58.6	-174.7	-179.8	-173.5	0	113.8	E20 E241 F243	E20-K245 IonicContact OE1-NZ 3.02Å; E20-K245 PolarHBondContact OE1-NZ 3.27Å; E20-K245 IonicContact OE2-NZ 2.64Å; E20-K245 PolarHBondContact OE2-NZ 2.7Å; E241-K245 WeakPolarHBondContact O-CA 3.31Å; E241-K245 PolarHBondContact O-N 3.2Å; F243-K245 PolarHBondContact O-N 3.26Å
246	R	74.9	Confident	81.3	Confident	11 Å²	11	21.3 Å²	21.3	4%	0.042	9%	0.093	C	C	.	.	S	Bend	trans	-145.9	153.9	178.6	63.3	175.8	174.2	-151.4	-18.9	110.9	E13 N55 E241 E244	E13-R246 IonicContact OE1-NH1 2.94Å; E13-R246 PolarHBondContact OE1-NH1 3.28Å; E13-R246 VanDerWaalsContact OE1-NH1 3.16Å; N55-R246 HydrophobicContact CB-CB 4.25Å; E241-R246 WeakPolarHBondContact CA-O 3.47Å; E241-R246 WeakPolarHBondContact CB-O 3.46Å; E241-R246 PolarHBondContact O-N 2.99Å; E244-R246 HydrophobicContact CB-CG 3.83Å; E244-R246 VanDerWaalsContact CD-NH2 3.35Å; E244-R246 PolarHBondContact O-N 3.07Å; E244-R246 IonicContact OE1-NH2 2.7Å; E244-R246 IonicContact OE2-CZ 3.5Å; E244-R246 IonicContact OE2-NE 2.71Å; E244-R246 PolarHBondContact OE2-NE 3.16Å; E244-R246 IonicContact OE2-NH2 2.82Å; E244-R246 PolarHBondContact OE2-NH2 3.43Å
247	R	77.4	Confident	81.5	Confident	54 Å²	54	21.3 Å²	21.3	20%	0.204	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	140.8	173.5	-70.2	-70.1	-131.9	151	3.3	109.9	N50 Q51 R53 N55 V56 R57 E241	N50-R247 PolarHBondContact O-NE 3.29Å; Q51-R247 PolarHBondContact O-NE 3.26Å; Q51-R247 PolarHBondContact O-NH2 3.49Å; R53-R247 HydrophobicContact CB-CG 4.32Å; R53-R247 WeakPolarHBondContact O-CG 3.3Å; N55-R247 PolarHBondContact O-N 2.88Å; V56-R247 CarbonylContact C-O 3.58Å; V56-R247 WeakPolarHBondContact CA-O 3.46Å; V56-R247 HydrophobicContact CB-CB 4.46Å; V56-R247 HydrophobicContact CG1-CB 4.47Å; V56-R247 HydrophobicContact CG2-CB 4.04Å; R57-R247 PolarHBondContact N-O 2.93Å; E241-R247 WeakPolarHBondContact OE1-CA 3.4Å; E241-R247 WeakPolarHBondContact OE1-CD 3.25Å; E241-R247 IonicContact OE1-NH1 2.68Å
248	I	82.1	Confident	81.6	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	110.7	-179.9	-59.9	172.6	0	0	0	106.9	R57 F90 I237 M240 E241 P282	R57-I248 WeakPolarHBondContact O-CA 3.5Å; F90-I248 HydrophobicContact CE1-CD1 4.02Å; F90-I248 HydrophobicContact CZ-CD1 3.9Å; F90-I248 HydrophobicContact CZ-CG2 4.23Å; I237-I248 HydrophobicContact CG2-CB 4.02Å; I237-I248 HydrophobicContact CG2-CG2 4.16Å; M240-I248 HydrophobicContact CB-CD1 3.88Å; E241-I248 HydrophobicContact CG-CB 3.82Å; E241-I248 HydrophobicContact CG-CD1 4.15Å; E241-I248 HydrophobicContact CG-CG1 3.87Å; E241-I248 PolarHBondContact OE1-N 3.18Å; I248-P282 WeakPolarHBondContact O-CB 3.39Å
249	R	84.6	Confident	81.8	Confident	126 Å²	126	30.2 Å²	30.2	48%	0.475	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130.9	176.6	-66.8	-166	-177.1	-167.8	3.8	110.6	V56 R57 F58 L59 P282	V56-R249 HydrophobicContact CG1-CB 4.13Å; V56-R249 HydrophobicContact CG1-CG 3.85Å; R57-R249 PolarHBondContact O-N 3.47Å; F58-R249 CarbonylContact C-O 3.6Å; F58-R249 WeakPolarHBondContact CA-O 3.31Å; F58-R249 HydrophobicContact CD1-CB 4.04Å; F58-R249 HydrophobicContact CE1-CB 4.13Å; L59-R249 PolarHBondContact N-O 3.2Å; R249-P282 CarbonylContact C-O 3.58Å; R249-P282 WeakPolarHBondContact CA-O 3.41Å
250	I	86.5	Confident	82	Confident	4 Å²	4	30.6 Å²	30.6	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124.5	174.9	-54.7	156.4	0	0	0	108.4	L59 V61 L82 M86 I237 P282 V283 L284	L59-I250 HydrophobicContact CD2-CG1 4.43Å; L59-I250 CarbonylContact O-C 3.52Å; L59-I250 WeakPolarHBondContact O-CA 3.45Å; V61-I250 HydrophobicContact CB-CG2 4.48Å; V61-I250 HydrophobicContact CG2-CG2 3.68Å; L82-I250 HydrophobicContact CD2-CG2 3.9Å; M86-I250 HydrophobicContact CE-CD1 3.27Å; M86-I250 HydrophobicContact CE-CG1 3.52Å; I237-I250 HydrophobicContact CD1-CD1 3.37Å; I237-I250 HydrophobicContact CD1-CG1 4.19Å; I250-P282 HydrophobicContact CD1-CG 4.49Å; I250-P282 PolarHBondContact N-O 3.07Å; I250-V283 HydrophobicContact CB-CG1 4.48Å; I250-V283 HydrophobicContact CB-CG2 4.26Å; I250-V283 HydrophobicContact CD1-CG2 3.57Å; I250-V283 CarbonylContact O-C 3.51Å; I250-V283 WeakPolarHBondContact O-CA 3.47Å; I250-L284 PolarHBondContact O-N 3.47Å
251	V	87.2	Confident	82.3	Confident	4 Å²	4	33.1 Å²	33.1	2%	0.024	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	101.8	171.3	-174.4	0	0	0	0	108.4	F58 L59 Y60 V61 L284 I286	F58-V251 HydrophobicContact CB-CG2 4.43Å; F58-V251 HydrophobicContact CD1-CG2 3.84Å; L59-V251 PolarHBondContact O-N 3.26Å; Y60-V251 HydrophobicContact CD1-CB 3.89Å; Y60-V251 HydrophobicContact CD1-CG1 4.09Å; Y60-V251 HydrophobicContact CE1-CB 3.85Å; Y60-V251 HydrophobicContact CE1-CG1 3.85Å; Y60-V251 HydrophobicContact CE1-CG2 4.17Å; V61-V251 PolarHBondContact N-O 3.28Å; V251-L284 CarbonylContact C-O 3.56Å; V251-L284 WeakPolarHBondContact CA-O 3.16Å; V251-L284 HydrophobicContact CG2-CD2 4.5Å; V251-I286 HydrophobicContact CG1-CD1 3.5Å; V251-I286 VanDerWaalsContact CG1-CD1 3.5Å; V251-I286 HydrophobicContact CG1-CG1 4.12Å
252	L	88.3	Confident	82.5	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	108.1	176.4	176.8	64.5	0	0	0	109.7	V61 F63 I78 L82 I254 L276 V283 L284 S285 I286	V61-L252 HydrophobicContact CB-CD1 4.01Å; V61-L252 HydrophobicContact CG1-CD1 3.81Å; V61-L252 CarbonylContact O-C 3.5Å; V61-L252 WeakPolarHBondContact O-CA 3.42Å; F63-L252 HydrophobicContact CB-CD1 4.11Å; I78-L252 HydrophobicContact CG2-CD1 4.3Å; I78-L252 HydrophobicContact CG2-CD2 3.55Å; L82-L252 HydrophobicContact CD2-CD1 4.45Å; L252-I254 HydrophobicContact CD2-CD1 4.02Å; L252-I254 HydrophobicContact CD2-CG1 4.27Å; L252-I254 HydrophobicContact CG-CD1 4.3Å; L252-I254 HydrophobicContact CG-CG1 4.05Å; L252-L276 HydrophobicContact CD2-CD1 3.61Å; L252-V283 HydrophobicContact CB-CG1 4.09Å; L252-L284 PolarHBondContact N-O 2.88Å; L252-S285 CarbonylContact O-C 3.56Å; L252-S285 WeakPolarHBondContact O-CA 3.19Å; L252-I286 PolarHBondContact O-N 3.05Å
253	K	88.8	Confident	82.7	Confident	93 Å²	93	41.6 Å²	41.6	40%	0.404	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	117.4	175.5	-175.3	-179.6	177.9	-179.6	0	110.2	V61 F63 T255	V61-K253 PolarHBondContact O-N 3Å; F63-K253 PolarHBondContact N-O 3.4Å; K253-T255 HydrophobicContact CD-CG2 4.25Å; K253-T255 HydrophobicContact CG-CG2 4.03Å
254	I	88.8	Confident	83	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.4	178	-62.6	166.6	0	0	0	109	F63 I78 L252 I272 I286 L287 A288	F63-I254 HydrophobicContact CB-CG1 4.48Å; F63-I254 HydrophobicContact CD1-CB 4.46Å; F63-I254 HydrophobicContact CD1-CG1 4.16Å; F63-I254 HydrophobicContact CD1-CG2 4.06Å; F63-I254 HydrophobicContact CE1-CG2 4.49Å; F63-I254 CarbonylContact O-C 3.51Å; F63-I254 WeakPolarHBondContact O-CA 3.29Å; I78-I254 HydrophobicContact CD1-CD1 4.29Å; L252-I254 HydrophobicContact CD2-CD1 4.02Å; L252-I254 HydrophobicContact CD2-CG1 4.27Å; L252-I254 HydrophobicContact CG-CD1 4.3Å; L252-I254 HydrophobicContact CG-CG1 4.05Å; I254-I272 HydrophobicContact CD1-CD1 3.49Å; I254-I272 VanDerWaalsContact CD1-CD1 3.49Å; I254-I272 HydrophobicContact CD1-CG1 3.95Å; I254-I286 PolarHBondContact N-O 2.91Å; I254-L287 HydrophobicContact CB-CD1 3.99Å; I254-L287 HydrophobicContact CG2-CD1 3.64Å; I254-A288 PolarHBondContact O-N 3.03Å
255	T	88.4	Confident	83.6	Confident	31 Å²	31	43.5 Å²	43.5	19%	0.19	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	157.3	-179.6	65	0	0	0	0	112.7	F63 S64 A65 K253 L257 A288	F63-T255 PolarHBondContact O-N 2.93Å; S64-T255 WeakPolarHBondContact CB-OG1 3.36Å; A65-T255 PolarHBondContact N-O 2.89Å; K253-T255 HydrophobicContact CD-CG2 4.25Å; K253-T255 HydrophobicContact CG-CG2 4.03Å; T255-L257 VanDerWaalsContact C-N 3.28Å; T255-L257 PolarHBondContact O-N 2.98Å; T255-A288 HydrophobicContact CG2-CB 4.34Å
256	N	85	Confident	83.9	Confident	48 Å²	48	43 Å²	43	26%	0.257	20%	0.199	S	C	.	.			trans	63.1	25.8	173.4	-55.1	-48.2	0	0	0	114.8	S64 D258 R259	S64-N256 PolarHBondContact OG-ND2 2.84Å; N256-D258 WeakPolarHBondContact CA-OD1 3.48Å; N256-D258 PolarHBondContact O-N 3.32Å; N256-R259 PolarHBondContact O-N 2.66Å
257	L	85.3	Confident	84.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-67.4	-28.9	175.8	-169.8	63.5	0	0	0	111.5	A65 T255 R259 C260 I265 V268 L269 L287 V289 L294	A65-L257 HydrophobicContact CB-CD1 4.39Å; T255-L257 VanDerWaalsContact C-N 3.28Å; T255-L257 PolarHBondContact O-N 2.98Å; L257-R259 PolarHBondContact O-N 3.41Å; L257-R259 VanDerWaalsContact O-N 3.16Å; L257-C260 WeakPolarHBondContact O-CB 3.39Å; L257-C260 PolarHBondContact O-N 3.13Å; L257-C260 VanDerWaalsContact O-N 3.09Å; L257-I265 HydrophobicContact CD1-CG1 4.27Å; L257-I265 HydrophobicContact CD2-CG2 4.26Å; L257-I265 HydrophobicContact CG-CG1 4.15Å; L257-I265 HydrophobicContact CG-CG2 4.31Å; L257-I265 WeakPolarHBondContact O-CD1 3.43Å; L257-I265 WeakPolarHBondContact O-CG1 3.45Å; L257-V268 HydrophobicContact CD1-CB 4.02Å; L257-V268 HydrophobicContact CD1-CG1 3.99Å; L257-V268 HydrophobicContact CD1-CG2 4.19Å; L257-V268 HydrophobicContact CD2-CG1 4.24Å; L257-L269 HydrophobicContact CD2-CD2 4.35Å; L257-L269 HydrophobicContact CD2-CG 4.47Å; L257-L287 HydrophobicContact CD2-CD1 4.03Å; L257-V289 HydrophobicContact CB-CG2 3.78Å; L257-L294 HydrophobicContact CD2-CD1 4.42Å
258	D	83.1	Confident	84.6	Confident	43 Å²	43	42 Å²	42	23%	0.23	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-57.5	-21	172.7	59.6	-23.2	0	0	0	114	N256 V289 V293 K297	N256-D258 WeakPolarHBondContact CA-OD1 3.48Å; N256-D258 PolarHBondContact O-N 3.32Å; D258-V289 HydrophobicContact CB-CG1 3.97Å; D258-V293 HydrophobicContact CB-CB 4.48Å; D258-V293 HydrophobicContact CB-CG1 4.13Å; D258-K297 PolarHBondContact O-NZ 3.18Å
259	R	82.9	Confident	84.7	Confident	156 Å²	156	42 Å²	42	59%	0.589	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-86.7	-11.2	178.2	-60.9	-174.5	-176.2	-167.6	-3	113.6	N256 L257	N256-R259 PolarHBondContact O-N 2.66Å; L257-R259 PolarHBondContact O-N 3.41Å; L257-R259 VanDerWaalsContact O-N 3.16Å
260	C	82.2	Confident	84.5	Confident	10 Å²	10	37.1 Å²	37.1	7%	0.068	19%	0.193	C	C	.	.	S	Bend	trans	-83.4	164.6	-175.1	-62.9	0	0	0	0	112.4	A65 L74 L257 I265 K297	A65-C260 VanDerWaalsContact CB-SG 3.57Å; L74-C260 HydrophobicContact CD1-CB 3.89Å; L74-C260 WeakPolarHBondContact CD1-SG 3.49Å; L257-C260 WeakPolarHBondContact O-CB 3.39Å; L257-C260 PolarHBondContact O-N 3.13Å; L257-C260 VanDerWaalsContact O-N 3.09Å; C260-I265 HydrophobicContact CB-CG1 3.98Å; C260-K297 PolarHBondContact O-NZ 2.97Å
261	S	83.9	Confident	84.2	Confident	54 Å²	54	37.1 Å²	37.1	38%	0.378	19%	0.194	S	C	.	.			trans	-69.4	145.5	173.5	57.8	0	0	0	0	111.2	K263 K264 I265	S261-K263 PolarHBondContact O-N 3.39Å; S261-K264 WeakPolarHBondContact O-CB 3.21Å; S261-K264 PolarHBondContact O-N 3.1Å; S261-K264 WeakPolarHBondContact OG-CD 3.49Å; S261-K264 VanDerWaalsContact OG-CG 3.23Å; S261-K264 WeakPolarHBondContact OG-CG 3.23Å; S261-I265 PolarHBondContact O-N 3.25Å
262	P	83.5	Confident	84	Confident	27 Å²	27	37.6 Å²	37.6	18%	0.175	20%	0.196	C	C	.	.	H	α-helix	trans	-39.4	-54	178.3	-38.3	40.8	0	0	0	116	K264 I265 V266 K297 F300 A301	P262-K264 VanDerWaalsContact C-N 3.29Å; P262-K264 PolarHBondContact O-N 3.36Å; P262-I265 WeakPolarHBondContact O-CB 3.39Å; P262-I265 PolarHBondContact O-N 3.2Å; P262-I265 VanDerWaalsContact O-N 3.1Å; P262-V266 PolarHBondContact O-N 2.79Å; P262-K297 HydrophobicContact CB-CB 4.46Å; P262-K297 VanDerWaalsContact CB-O 3.26Å; P262-K297 WeakPolarHBondContact CB-O 3.28Å; P262-K297 HydrophobicContact CG-CB 4.08Å; P262-K297 HydrophobicContact CG-CG 4.2Å; P262-F300 HydrophobicContact CB-CD1 3.94Å; P262-F300 HydrophobicContact CG-CB 4.38Å; P262-F300 HydrophobicContact CG-CD1 3.67Å; P262-F300 HydrophobicContact CG-CE1 4.41Å; P262-F300 HydrophobicContact CG-CG 4.35Å; P262-A301 HydrophobicContact CB-CB 3.94Å
263	K	81.1	Confident	83.4	Confident	162 Å²	162	39.3 Å²	39.3	70%	0.704	21%	0.205	S	C	*	.	H	α-helix	trans	-60	-36.9	-178.5	-62.1	-173.5	178.2	-175.7	0	113.3	S261 A267	S261-K263 PolarHBondContact O-N 3.39Å; K263-A267 WeakPolarHBondContact O-CB 3.32Å; K263-A267 PolarHBondContact O-N 3.04Å
264	K	83.1	Confident	82.7	Confident	43 Å²	43	38.4 Å²	38.4	19%	0.187	20%	0.204	C	C	.	.	H	α-helix	trans	-72.8	-31.8	179.4	-65.6	-177.6	-175.1	-165	0	111.7	A69 S71 L74 S261 P262 V268	A69-K264 PolarHBondContact O-NZ 3.21Å; S71-K264 PolarHBondContact O-NZ 3.15Å; L74-K264 HydrophobicContact CD1-CB 3.64Å; L74-K264 HydrophobicContact CD1-CD 4.04Å; L74-K264 HydrophobicContact CD1-CG 4.37Å; L74-K264 HydrophobicContact CG-CB 4.21Å; L74-K264 HydrophobicContact CG-CD 4.1Å; S261-K264 WeakPolarHBondContact O-CB 3.21Å; S261-K264 PolarHBondContact O-N 3.1Å; S261-K264 WeakPolarHBondContact OG-CD 3.49Å; S261-K264 VanDerWaalsContact OG-CG 3.23Å; S261-K264 WeakPolarHBondContact OG-CG 3.23Å; P262-K264 VanDerWaalsContact C-N 3.29Å; P262-K264 PolarHBondContact O-N 3.36Å; K264-V268 WeakPolarHBondContact O-CG2 3.23Å; K264-V268 PolarHBondContact O-N 3.12Å
265	I	84.5	Confident	81.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66	-52.3	177.1	-66.6	179.1	0	0	0	110.2	L257 C260 S261 P262 A267 V268 L269 L294 K297 V298	L257-I265 HydrophobicContact CD1-CG1 4.27Å; L257-I265 HydrophobicContact CD2-CG2 4.26Å; L257-I265 HydrophobicContact CG-CG1 4.15Å; L257-I265 HydrophobicContact CG-CG2 4.31Å; L257-I265 WeakPolarHBondContact O-CD1 3.43Å; L257-I265 WeakPolarHBondContact O-CG1 3.45Å; C260-I265 HydrophobicContact CB-CG1 3.98Å; S261-I265 PolarHBondContact O-N 3.25Å; P262-I265 WeakPolarHBondContact O-CB 3.39Å; P262-I265 PolarHBondContact O-N 3.2Å; P262-I265 VanDerWaalsContact O-N 3.1Å; I265-A267 VanDerWaalsContact C-N 3.26Å; I265-A267 PolarHBondContact O-N 3.44Å; I265-V268 PolarHBondContact O-N 2.86Å; I265-V268 VanDerWaalsContact O-N 3.1Å; I265-L269 HydrophobicContact CG2-CD1 4.01Å; I265-L269 HydrophobicContact CG2-CG 4.42Å; I265-L269 WeakPolarHBondContact O-CG 3.39Å; I265-L269 PolarHBondContact O-N 2.96Å; I265-L294 HydrophobicContact CD1-CD1 4.47Å; I265-L294 HydrophobicContact CG2-CD1 3.28Å; I265-K297 HydrophobicContact CD1-CB 3.88Å; I265-K297 HydrophobicContact CD1-CD 3.47Å; I265-K297 VanDerWaalsContact CD1-CD 3.47Å; I265-K297 HydrophobicContact CD1-CG 4.32Å; I265-V298 HydrophobicContact CG2-CG2 4.17Å
266	V	81.2	Confident	80.7	Confident	37 Å²	37	38.4 Å²	38.4	22%	0.224	20%	0.203	C	C	.	.	H	α-helix	trans	-59.1	-41.1	178.5	178.2	0	0	0	0	110.6	P262 V268 L269 G270 V298 A301	P262-V266 PolarHBondContact O-N 2.79Å; V266-V268 PolarHBondContact O-N 2.84Å; V266-L269 PolarHBondContact O-N 3.34Å; V266-G270 PolarHBondContact O-N 3.43Å; V266-V298 HydrophobicContact CG2-CG1 4.31Å; V266-V298 HydrophobicContact CG2-CG2 4.25Å; V266-A301 HydrophobicContact CG2-CB 3.8Å
267	A	80.7	Confident	79.6	Confident	42 Å²	42	39.1 Å²	39.1	35%	0.347	21%	0.211	S	C	.	.	H	α-helix	trans	-61.3	-40.8	175.9	0	0	0	0	0	113.1	K263 I265 A271	K263-A267 WeakPolarHBondContact O-CB 3.32Å; K263-A267 PolarHBondContact O-N 3.04Å; I265-A267 VanDerWaalsContact C-N 3.26Å; I265-A267 PolarHBondContact O-N 3.44Å; A267-A271 WeakPolarHBondContact O-CB 3.3Å; A267-A271 PolarHBondContact O-N 3.15Å
268	V	85.7	Confident	78.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-69.3	-43.5	176.5	170.2	0	0	0	0	111.6	L74 W75 I78 L257 K264 I265 V266 A271 I272	L74-V268 HydrophobicContact CB-CG2 3.52Å; L74-V268 HydrophobicContact CD1-CG2 4.3Å; W75-V268 HydrophobicContact CB-CG2 4.28Å; I78-V268 HydrophobicContact CD1-CG1 3.97Å; L257-V268 HydrophobicContact CD1-CB 4.02Å; L257-V268 HydrophobicContact CD1-CG1 3.99Å; L257-V268 HydrophobicContact CD1-CG2 4.19Å; L257-V268 HydrophobicContact CD2-CG1 4.24Å; K264-V268 WeakPolarHBondContact O-CG2 3.23Å; K264-V268 PolarHBondContact O-N 3.12Å; I265-V268 PolarHBondContact O-N 2.86Å; I265-V268 VanDerWaalsContact O-N 3.1Å; V266-V268 PolarHBondContact O-N 2.84Å; V268-A271 PolarHBondContact O-N 2.81Å; V268-I272 HydrophobicContact CG1-CD1 4.05Å; V268-I272 VanDerWaalsContact O-CG1 3.29Å; V268-I272 WeakPolarHBondContact O-CG1 3.14Å; V268-I272 PolarHBondContact O-N 3.35Å
269	L	84.3	Confident	77.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-46.6	176.7	-72.8	177.7	0	0	0	111.5	L257 I265 V266 A271 I272 N273 L287 L294 V298 L315 I318	L257-L269 HydrophobicContact CD2-CD2 4.35Å; L257-L269 HydrophobicContact CD2-CG 4.47Å; I265-L269 HydrophobicContact CG2-CD1 4.01Å; I265-L269 HydrophobicContact CG2-CG 4.42Å; I265-L269 WeakPolarHBondContact O-CG 3.39Å; I265-L269 PolarHBondContact O-N 2.96Å; V266-L269 PolarHBondContact O-N 3.34Å; L269-A271 VanDerWaalsContact C-N 3.33Å; L269-A271 PolarHBondContact O-N 3.41Å; L269-I272 PolarHBondContact O-N 3.09Å; L269-N273 PolarHBondContact O-N 3.24Å; L269-N273 VanDerWaalsContact O-N 3.09Å; L269-L287 HydrophobicContact CD2-CD2 4.02Å; L269-L294 HydrophobicContact CD1-CD1 4.31Å; L269-V298 HydrophobicContact CD1-CG2 4.21Å; L269-L315 HydrophobicContact CD1-CD2 3.81Å; L269-L315 HydrophobicContact CD2-CD2 4.4Å; L269-I318 HydrophobicContact CB-CD1 3.76Å; L269-I318 HydrophobicContact CD2-CD1 4.45Å; L269-I318 WeakPolarHBondContact O-CD1 3.44Å
270	G	79.5	Confident	76.7	Confident	24 Å²	24	46.6 Å²	46.6	25%	0.247	25%	0.254	C	S	.	.	H	α-helix	trans	-60.6	-40.9	173.9	0	0	0	0	0	112.4	V266 N273 I274	V266-G270 PolarHBondContact O-N 3.43Å; G270-N273 PolarHBondContact O-N 3.14Å; G270-I274 VanDerWaalsContact O-CG1 3.3Å; G270-I274 WeakPolarHBondContact O-CG1 3.45Å; G270-I274 PolarHBondContact O-N 2.84Å
271	A	81	Confident	76.2	Confident	5 Å²	5	47.6 Å²	47.6	4%	0.041	26%	0.261	C	S	.	.	H	α-helix	trans	-66.6	-37.6	176.5	0	0	0	0	0	113	W75 A267 V268 L269 N273 I274 L275	W75-A271 HydrophobicContact CB-CB 3.47Å; W75-A271 VanDerWaalsContact CB-CB 3.47Å; W75-A271 HydrophobicContact CG-CB 4.05Å; A267-A271 WeakPolarHBondContact O-CB 3.3Å; A267-A271 PolarHBondContact O-N 3.15Å; V268-A271 PolarHBondContact O-N 2.81Å; L269-A271 VanDerWaalsContact C-N 3.33Å; L269-A271 PolarHBondContact O-N 3.41Å; A271-N273 VanDerWaalsContact C-N 3.26Å; A271-N273 PolarHBondContact O-N 2.57Å; A271-I274 PolarHBondContact O-N 3.37Å; A271-L275 HydrophobicContact CB-CD1 3.87Å; A271-L275 HydrophobicContact CB-CG 4.48Å; A271-L275 WeakPolarHBondContact O-CA 3.43Å; A271-L275 WeakPolarHBondContact O-CB 3.37Å; A271-L275 WeakPolarHBondContact O-CG 3.35Å; A271-L275 PolarHBondContact O-N 3.35Å
272	I	83.1	Confident	75.8	Confident	14 Å²	14	45.7 Å²	45.7	7%	0.072	25%	0.248	C	C	.	.	H	α-helix	trans	-59.3	-45.1	172.2	-67.6	161.6	0	0	0	109	I254 V268 L269 L276 I318	I254-I272 HydrophobicContact CD1-CD1 3.49Å; I254-I272 VanDerWaalsContact CD1-CD1 3.49Å; I254-I272 HydrophobicContact CD1-CG1 3.95Å; V268-I272 HydrophobicContact CG1-CD1 4.05Å; V268-I272 VanDerWaalsContact O-CG1 3.29Å; V268-I272 WeakPolarHBondContact O-CG1 3.14Å; V268-I272 PolarHBondContact O-N 3.35Å; L269-I272 PolarHBondContact O-N 3.09Å; I272-L276 HydrophobicContact CG2-CD1 4.42Å; I272-L276 WeakPolarHBondContact O-CA 3.28Å; I272-L276 VanDerWaalsContact O-CB 3.28Å; I272-L276 WeakPolarHBondContact O-CB 3.4Å; I272-L276 PolarHBondContact O-N 2.81Å; I272-I318 HydrophobicContact CG2-CG2 4.21Å
273	N	76.2	Confident	75.8	Confident	35 Å²	35	45.2 Å²	45.2	19%	0.187	25%	0.245	C	C	.	.	H	α-helix	trans	-65.2	-41.6	-179.9	-160.8	36.9	0	0	0	113.2	L269 G270 A271 S277 I318	L269-N273 PolarHBondContact O-N 3.24Å; L269-N273 VanDerWaalsContact O-N 3.09Å; G270-N273 PolarHBondContact O-N 3.14Å; A271-N273 VanDerWaalsContact C-N 3.26Å; A271-N273 PolarHBondContact O-N 2.57Å; N273-S277 VanDerWaalsContact CA-OG 3.25Å; N273-S277 WeakPolarHBondContact CA-OG 3.15Å; N273-S277 WeakPolarHBondContact O-CB 3.34Å; N273-S277 PolarHBondContact O-N 2.99Å; N273-S277 PolarHBondContact O-OG 3.46Å; N273-S277 PolarHBondContact OD1-OG 3.17Å; N273-I318 HydrophobicContact CB-CD1 4.46Å; N273-I318 HydrophobicContact CB-CG1 4.09Å
274	I	72.9	Confident	76	Confident	74 Å²	74	41.7 Å²	41.7	38%	0.379	23%	0.233	S	C	.	.	H	α-helix	trans	-81.2	-37.6	-175.1	-66	165.9	0	0	0	111.8	M223 G270 A271	M223-I274 HydrophobicContact CE-CD1 4.11Å; M223-I274 HydrophobicContact SD-CD1 4.24Å; G270-I274 VanDerWaalsContact O-CG1 3.3Å; G270-I274 WeakPolarHBondContact O-CG1 3.45Å; G270-I274 PolarHBondContact O-N 2.84Å; A271-I274 PolarHBondContact O-N 3.37Å
275	L	68.5	Low	76.1	Confident	19 Å²	19	41.6 Å²	41.6	10%	0.099	24%	0.238	C	C	.	.	H	α-helix	trans	-92.5	-24.6	-171.5	-55.2	172.3	0	0	0	112.5	W75 R227 I230 A271	W75-L275 HydrophobicContact CE3-CD1 4.45Å; R227-L275 HydrophobicContact CB-CD2 3.65Å; R227-L275 HydrophobicContact CG-CD2 3.98Å; I230-L275 HydrophobicContact CD1-CB 3.8Å; I230-L275 HydrophobicContact CD1-CD1 3.68Å; I230-L275 HydrophobicContact CD1-CD2 4.1Å; I230-L275 HydrophobicContact CD1-CG 4.06Å; A271-L275 HydrophobicContact CB-CD1 3.87Å; A271-L275 HydrophobicContact CB-CG 4.48Å; A271-L275 WeakPolarHBondContact O-CA 3.43Å; A271-L275 WeakPolarHBondContact O-CB 3.37Å; A271-L275 WeakPolarHBondContact O-CG 3.35Å; A271-L275 PolarHBondContact O-N 3.35Å
276	L	67.1	Low	76.3	Confident	14 Å²	14	43 Å²	43	7%	0.073	25%	0.245	C	C	.	.	H	α-helix	trans	-126.2	-3.6	-170	-49.8	175.4	0	0	0	114.3	L82 L252 I272 S281 V283 S285	L82-L276 HydrophobicContact CD1-CD2 4.37Å; L252-L276 HydrophobicContact CD2-CD1 3.61Å; I272-L276 HydrophobicContact CG2-CD1 4.42Å; I272-L276 WeakPolarHBondContact O-CA 3.28Å; I272-L276 VanDerWaalsContact O-CB 3.28Å; I272-L276 WeakPolarHBondContact O-CB 3.4Å; I272-L276 PolarHBondContact O-N 2.81Å; L276-S281 PolarHBondContact O-OG 3.32Å; L276-V283 HydrophobicContact CD1-CG1 4.19Å; L276-V283 HydrophobicContact CD2-CB 4.12Å; L276-V283 HydrophobicContact CD2-CG1 3.96Å; L276-V283 HydrophobicContact CD2-CG2 4.04Å; L276-S285 VanDerWaalsContact CD1-OG 3.31Å; L276-S285 WeakPolarHBondContact CD1-OG 3.29Å
277	S	62.1	Low	76.6	Confident	62 Å²	62	43.8 Å²	43.8	43%	0.434	25%	0.247	S	C	.	.			trans	-92	12.1	179.5	-55.8	0	0	0	0	115.3	N273 E279	N273-S277 VanDerWaalsContact CA-OG 3.25Å; N273-S277 WeakPolarHBondContact CA-OG 3.15Å; N273-S277 WeakPolarHBondContact O-CB 3.34Å; N273-S277 PolarHBondContact O-N 2.99Å; N273-S277 PolarHBondContact O-OG 3.46Å; N273-S277 PolarHBondContact OD1-OG 3.17Å; S277-E279 PolarHBondContact O-N 3.31Å
278	D	66.9	Low	76.9	Confident	86 Å²	86	44.1 Å²	44.1	46%	0.46	25%	0.25	S	S	.	.			trans	-59.5	132.2	169.8	-174.7	13.1	0	0	0	109.3	E280 S281	D278-E280 PolarHBondContact O-N 2.72Å; D278-E280 VanDerWaalsContact O-N 3.14Å; D278-S281 VanDerWaalsContact O-CB 3.24Å; D278-S281 WeakPolarHBondContact O-CB 3.3Å; D278-S281 PolarHBondContact O-N 2.9Å; D278-S281 PolarHBondContact O-OG 3.26Å
279	E	60.4	Low	76.7	Confident	189 Å²	189	45.8 Å²	45.8	88%	0.883	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.7	-170.8	-69.9	-170.8	164.2	0	0	112.1	S277	S277-E279 PolarHBondContact O-N 3.31Å
280	E	63.1	Low	76.6	Confident	81 Å²	81	49 Å²	49	38%	0.379	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	14.8	176.7	-55.8	-170.4	155.2	0	0	114	K112 K238 D278	K112-E280 IonicContact NZ-OE2 3.58Å; K112-E280 PolarHBondContact NZ-OE2 3.38Å; K238-E280 WeakPolarHBondContact CE-O 3.31Å; K238-E280 VanDerWaalsContact NZ-CB 3.27Å; K238-E280 PolarHBondContact NZ-O 3.34Å; K238-E280 IonicContact NZ-OE2 2.66Å; K238-E280 PolarHBondContact NZ-OE2 3.34Å; D278-E280 PolarHBondContact O-N 2.72Å; D278-E280 VanDerWaalsContact O-N 3.14Å
281	S	70.7	Confident	76.6	Confident	31 Å²	31	50.5 Å²	50.5	22%	0.217	28%	0.283	C	S	.	.			trans	-71.6	137.2	-177.2	79.3	0	0	0	0	111.4	L276 D278 V283	L276-S281 PolarHBondContact O-OG 3.32Å; D278-S281 VanDerWaalsContact O-CB 3.24Å; D278-S281 WeakPolarHBondContact O-CB 3.3Å; D278-S281 PolarHBondContact O-N 2.9Å; D278-S281 PolarHBondContact O-OG 3.26Å; S281-V283 PolarHBondContact O-N 3.35Å
282	P	77.3	Confident	76.3	Confident	14 Å²	14	52.4 Å²	52.4	9%	0.091	29%	0.294	C	S	.	.			trans	-78.8	7.5	177.4	30.9	-34.5	0	0	0	112.8	T234 I237 I248 R249 I250	T234-P282 HydrophobicContact CG2-CG 4.3Å; I237-P282 HydrophobicContact CB-CG 4.23Å; I237-P282 HydrophobicContact CD1-CG 3.79Å; I237-P282 HydrophobicContact CG2-CB 4.02Å; I237-P282 HydrophobicContact CG2-CG 3.93Å; I248-P282 WeakPolarHBondContact O-CB 3.39Å; R249-P282 CarbonylContact C-O 3.58Å; R249-P282 WeakPolarHBondContact CA-O 3.41Å; I250-P282 HydrophobicContact CD1-CG 4.49Å; I250-P282 PolarHBondContact N-O 3.07Å
283	V	82.3	Confident	76.2	Confident	18 Å²	18	53.7 Å²	53.7	11%	0.109	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	116	-169.9	-173.1	0	0	0	0	111.1	I250 L252 L276 S281	I250-V283 HydrophobicContact CB-CG1 4.48Å; I250-V283 HydrophobicContact CB-CG2 4.26Å; I250-V283 HydrophobicContact CD1-CG2 3.57Å; I250-V283 CarbonylContact O-C 3.51Å; I250-V283 WeakPolarHBondContact O-CA 3.47Å; L252-V283 HydrophobicContact CB-CG1 4.09Å; L276-V283 HydrophobicContact CD1-CG1 4.19Å; L276-V283 HydrophobicContact CD2-CB 4.12Å; L276-V283 HydrophobicContact CD2-CG1 3.96Å; L276-V283 HydrophobicContact CD2-CG2 4.04Å; S281-V283 PolarHBondContact O-N 3.35Å
284	L	85.6	Confident	76.4	Confident	88 Å²	88	52.3 Å²	52.3	46%	0.461	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	112.9	166.7	178.8	65.1	0	0	0	109.7	I250 V251 L252	I250-L284 PolarHBondContact O-N 3.47Å; V251-L284 CarbonylContact C-O 3.56Å; V251-L284 WeakPolarHBondContact CA-O 3.16Å; V251-L284 HydrophobicContact CG2-CD2 4.5Å; L252-L284 PolarHBondContact N-O 2.88Å
285	S	86	Confident	76.6	Confident	41 Å²	41	49.6 Å²	49.6	29%	0.287	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122	177.4	-63.6	0	0	0	0	111.4	L252 L276	L252-S285 CarbonylContact O-C 3.56Å; L252-S285 WeakPolarHBondContact O-CA 3.19Å; L276-S285 VanDerWaalsContact CD1-OG 3.31Å; L276-S285 WeakPolarHBondContact CD1-OG 3.29Å
286	I	87.6	Confident	77	Confident	29 Å²	29	54.9 Å²	54.9	15%	0.149	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	111.2	174.2	-57.4	178.1	0	0	0	108.3	M1 V251 L252 I254	M1-I286 HydrophobicContact CE-CD1 3.49Å; M1-I286 VanDerWaalsContact CE-CD1 3.49Å; M1-I286 HydrophobicContact SD-CD1 3.94Å; V251-I286 HydrophobicContact CG1-CD1 3.5Å; V251-I286 VanDerWaalsContact CG1-CD1 3.5Å; V251-I286 HydrophobicContact CG1-CG1 4.12Å; L252-I286 PolarHBondContact O-N 3.05Å; I254-I286 PolarHBondContact N-O 2.91Å
287	L	87.3	Confident	77.5	Confident	53 Å²	53	56.6 Å²	56.6	28%	0.277	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115.6	178.3	-175.1	62.5	0	0	0	110.1	I254 L257 L269 V289	I254-L287 HydrophobicContact CB-CD1 3.99Å; I254-L287 HydrophobicContact CG2-CD1 3.64Å; L257-L287 HydrophobicContact CD2-CD1 4.03Å; L269-L287 HydrophobicContact CD2-CD2 4.02Å; L287-V289 HydrophobicContact CD1-CG2 3.41Å; L287-V289 VanDerWaalsContact CD1-CG2 3.41Å; L287-V289 HydrophobicContact CD2-CG2 4.3Å; L287-V289 HydrophobicContact CG-CB 4.4Å; L287-V289 HydrophobicContact CG-CG2 3.6Å
288	A	87.3	Confident	78.2	Confident	49 Å²	49	53.6 Å²	53.6	41%	0.405	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	98.3	176.1	0	0	0	0	0	110	I254 T255	I254-A288 PolarHBondContact O-N 3.03Å; T255-A288 HydrophobicContact CG2-CB 4.34Å
289	V	82.4	Confident	78.5	Confident	35 Å²	35	52.8 Å²	52.8	21%	0.212	28%	0.284	C	S	.	.			trans	-145.5	152.4	-172.1	-173.6	0	0	0	0	110.1	L257 D258 L287 P291 L294	L257-V289 HydrophobicContact CB-CG2 3.78Å; D258-V289 HydrophobicContact CB-CG1 3.97Å; L287-V289 HydrophobicContact CD1-CG2 3.41Å; L287-V289 VanDerWaalsContact CD1-CG2 3.41Å; L287-V289 HydrophobicContact CD2-CG2 4.3Å; L287-V289 HydrophobicContact CG-CB 4.4Å; L287-V289 HydrophobicContact CG-CG2 3.6Å; V289-P291 WeakPolarHBondContact O-CD 3.25Å; V289-L294 HydrophobicContact CG1-CB 3.85Å; V289-L294 HydrophobicContact CG1-CD1 4.14Å; V289-L294 HydrophobicContact CG1-CD2 4.1Å; V289-L294 HydrophobicContact CG1-CG 4.26Å
290	N	82.1	Confident	79	Confident	68 Å²	68	51 Å²	51	36%	0.364	27%	0.273	S	S	.	.			trans	-77	114.9	166.5	-175.9	-6.1	0	0	0	110	T292 V293 L294	N290-T292 VanDerWaalsContact C-N 3.32Å; N290-T292 PolarHBondContact ND2-OG1 3.43Å; N290-T292 PolarHBondContact O-N 2.85Å; N290-T292 PolarHBondContact OD1-N 3.35Å; N290-T292 PolarHBondContact OD1-OG1 2.88Å; N290-T292 VanDerWaalsContact OD1-OG1 3.1Å; N290-V293 HydrophobicContact CB-CB 4.38Å; N290-V293 HydrophobicContact CB-CG2 4.31Å; N290-V293 PolarHBondContact O-N 3.36Å; N290-L294 WeakPolarHBondContact O-CB 3.42Å; N290-L294 PolarHBondContact O-N 3.1Å
291	P	78.1	Confident	79.3	Confident	55 Å²	55	47.5 Å²	47.5	36%	0.357	26%	0.259	S	S	.	.	H	α-helix	trans	-61.5	-34.8	-175.4	24.5	-34.5	0	0	0	113.3	V289 L294 L295	V289-P291 WeakPolarHBondContact O-CD 3.25Å; P291-L294 PolarHBondContact O-N 3.33Å; P291-L295 VanDerWaalsContact O-CB 3.25Å; P291-L295 WeakPolarHBondContact O-CB 3.47Å; P291-L295 PolarHBondContact O-N 3.18Å
292	T	76.3	Confident	78.7	Confident	45 Å²	45	48.1 Å²	48.1	28%	0.276	26%	0.258	S	S	.	.	H	α-helix	trans	-64.5	-50	-179.3	61.9	0	0	0	0	111.7	N290 L294 L295 E296	N290-T292 VanDerWaalsContact C-N 3.32Å; N290-T292 PolarHBondContact ND2-OG1 3.43Å; N290-T292 PolarHBondContact O-N 2.85Å; N290-T292 PolarHBondContact OD1-N 3.35Å; N290-T292 PolarHBondContact OD1-OG1 2.88Å; N290-T292 VanDerWaalsContact OD1-OG1 3.1Å; T292-L294 VanDerWaalsContact C-N 3.29Å; T292-L294 PolarHBondContact O-N 2.99Å; T292-L295 PolarHBondContact O-N 3.06Å; T292-E296 WeakPolarHBondContact O-CG 3.31Å; T292-E296 PolarHBondContact O-N 2.92Å
293	V	79.3	Confident	77.6	Confident	41 Å²	41	52.4 Å²	52.4	25%	0.248	29%	0.288	C	S	.	.	H	α-helix	trans	-65.8	-36.5	179	179.3	0	0	0	0	110.7	D258 N290 K297	D258-V293 HydrophobicContact CB-CB 4.48Å; D258-V293 HydrophobicContact CB-CG1 4.13Å; N290-V293 HydrophobicContact CB-CB 4.38Å; N290-V293 HydrophobicContact CB-CG2 4.31Å; N290-V293 PolarHBondContact O-N 3.36Å; V293-K297 HydrophobicContact CG1-CD 4.14Å; V293-K297 WeakPolarHBondContact O-CB 3.25Å; V293-K297 WeakPolarHBondContact O-CG 3.02Å; V293-K297 PolarHBondContact O-N 3.48Å
294	L	81.4	Confident	76.1	Confident	7 Å²	7	55.4 Å²	55.4	4%	0.037	31%	0.31	C	S	.	.	H	α-helix	trans	-62	-48	175.7	-175.8	63.6	0	0	0	110.4	L257 I265 L269 V289 N290 P291 T292 K297 V298 L315	L257-L294 HydrophobicContact CD2-CD1 4.42Å; I265-L294 HydrophobicContact CD1-CD1 4.47Å; I265-L294 HydrophobicContact CG2-CD1 3.28Å; L269-L294 HydrophobicContact CD1-CD1 4.31Å; V289-L294 HydrophobicContact CG1-CB 3.85Å; V289-L294 HydrophobicContact CG1-CD1 4.14Å; V289-L294 HydrophobicContact CG1-CD2 4.1Å; V289-L294 HydrophobicContact CG1-CG 4.26Å; N290-L294 WeakPolarHBondContact O-CB 3.42Å; N290-L294 PolarHBondContact O-N 3.1Å; P291-L294 PolarHBondContact O-N 3.33Å; T292-L294 VanDerWaalsContact C-N 3.29Å; T292-L294 PolarHBondContact O-N 2.99Å; L294-K297 PolarHBondContact O-N 3Å; L294-V298 VanDerWaalsContact O-CG2 3.29Å; L294-V298 WeakPolarHBondContact O-CG2 3.42Å; L294-V298 PolarHBondContact O-N 3.21Å; L294-L315 HydrophobicContact CD2-CD1 4.25Å; L294-L315 HydrophobicContact CD2-CD2 3.64Å; L294-L315 HydrophobicContact CG-CD2 4.35Å
295	L	77.9	Confident	74.1	Confident	17 Å²	17	56.8 Å²	56.8	9%	0.089	32%	0.316	C	S	.	.	H	α-helix	trans	-64.5	-49.5	-177.3	-178.1	71.5	0	0	0	112.5	P291 T292 K297 V298 K299 A311 H312 L315	P291-L295 VanDerWaalsContact O-CB 3.25Å; P291-L295 WeakPolarHBondContact O-CB 3.47Å; P291-L295 PolarHBondContact O-N 3.18Å; T292-L295 PolarHBondContact O-N 3.06Å; L295-K297 PolarHBondContact O-N 3.35Å; L295-V298 PolarHBondContact O-N 3.1Å; L295-V298 VanDerWaalsContact O-N 3.11Å; L295-K299 HydrophobicContact CG-CD 4.27Å; L295-K299 HydrophobicContact CG-CG 4.45Å; L295-K299 WeakPolarHBondContact O-CB 3.25Å; L295-K299 WeakPolarHBondContact O-CG 3.37Å; L295-K299 PolarHBondContact O-N 3.1Å; L295-A311 HydrophobicContact CD1-CB 3.55Å; L295-H312 WeakPolarHBondContact CD1-CE1 3.44Å; L295-H312 WeakPolarHBondContact CD1-NE2 3.18Å; L295-H312 WeakPolarHBondContact CD2-CE1 3.43Å; L295-H312 WeakPolarHBondContact CD2-NE2 3.49Å; L295-L315 HydrophobicContact CD1-CD1 4.47Å
296	E	75.9	Confident	72.1	Confident	130 Å²	130	59.2 Å²	59.2	61%	0.607	33%	0.332	S	S	*	.	H	α-helix	trans	-54.9	-41.5	176.7	-74.7	176.5	-177.9	0	0	111.5	T292 F300	T292-E296 WeakPolarHBondContact O-CG 3.31Å; T292-E296 PolarHBondContact O-N 2.92Å; E296-F300 WeakPolarHBondContact O-CB 3.46Å; E296-F300 PolarHBondContact O-N 3.24Å
297	K	78.3	Confident	70.4	Confident	49 Å²	49	68.1 Å²	68.1	21%	0.213	37%	0.37	C	S	.	.	H	α-helix	trans	-71.4	-37	179.2	-72	-176.4	175.8	-165.3	0	112.5	D258 C260 P262 I265 V293 L294 L295 A301	D258-K297 PolarHBondContact O-NZ 3.18Å; C260-K297 PolarHBondContact O-NZ 2.97Å; P262-K297 HydrophobicContact CB-CB 4.46Å; P262-K297 VanDerWaalsContact CB-O 3.26Å; P262-K297 WeakPolarHBondContact CB-O 3.28Å; P262-K297 HydrophobicContact CG-CB 4.08Å; P262-K297 HydrophobicContact CG-CG 4.2Å; I265-K297 HydrophobicContact CD1-CB 3.88Å; I265-K297 HydrophobicContact CD1-CD 3.47Å; I265-K297 VanDerWaalsContact CD1-CD 3.47Å; I265-K297 HydrophobicContact CD1-CG 4.32Å; V293-K297 HydrophobicContact CG1-CD 4.14Å; V293-K297 WeakPolarHBondContact O-CB 3.25Å; V293-K297 WeakPolarHBondContact O-CG 3.02Å; V293-K297 PolarHBondContact O-N 3.48Å; L294-K297 PolarHBondContact O-N 3Å; L295-K297 PolarHBondContact O-N 3.35Å; K297-A301 PolarHBondContact O-N 3.02Å; K297-A301 VanDerWaalsContact O-N 3.14Å
298	V	76.8	Confident	68.6	Low	0 Å²	0	73.5 Å²	73.5	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-67.6	-46.3	174.6	175.8	0	0	0	0	110.1	I265 V266 L269 L294 L295 F300 A301 E302 A311 L314	I265-V298 HydrophobicContact CG2-CG2 4.17Å; V266-V298 HydrophobicContact CG2-CG1 4.31Å; V266-V298 HydrophobicContact CG2-CG2 4.25Å; L269-V298 HydrophobicContact CD1-CG2 4.21Å; L294-V298 VanDerWaalsContact O-CG2 3.29Å; L294-V298 WeakPolarHBondContact O-CG2 3.42Å; L294-V298 PolarHBondContact O-N 3.21Å; L295-V298 PolarHBondContact O-N 3.1Å; L295-V298 VanDerWaalsContact O-N 3.11Å; V298-F300 VanDerWaalsContact C-N 3.28Å; V298-F300 PolarHBondContact O-N 3.41Å; V298-A301 CarbonylContact O-C 3.56Å; V298-A301 WeakPolarHBondContact O-CA 3.16Å; V298-A301 WeakPolarHBondContact O-CB 3.22Å; V298-A301 PolarHBondContact O-N 3.45Å; V298-E302 HydrophobicContact CG1-CG 4.26Å; V298-E302 WeakPolarHBondContact CG1-OE1 3.43Å; V298-E302 PolarHBondContact O-N 3.49Å; V298-A311 HydrophobicContact CB-CB 3.91Å; V298-A311 HydrophobicContact CG1-CB 3.45Å; V298-A311 VanDerWaalsContact CG1-CB 3.45Å; V298-L314 HydrophobicContact CG1-CD2 4.44Å
299	K	73.3	Confident	67	Low	69 Å²	69	76 Å²	76	30%	0.3	40%	0.4	S	S	.	.	H	α-helix	trans	-54.6	-42.9	173.9	-72.2	-177.8	177.6	-175.6	0	112	L295 A301 E302 S303 A311 D505	L295-K299 HydrophobicContact CG-CD 4.27Å; L295-K299 HydrophobicContact CG-CG 4.45Å; L295-K299 WeakPolarHBondContact O-CB 3.25Å; L295-K299 WeakPolarHBondContact O-CG 3.37Å; L295-K299 PolarHBondContact O-N 3.1Å; K299-A301 VanDerWaalsContact C-N 3.32Å; K299-A301 PolarHBondContact O-N 3.22Å; K299-E302 PolarHBondContact O-N 3.28Å; K299-S303 PolarHBondContact O-N 3.34Å; K299-A311 HydrophobicContact CG-CB 3.9Å; K299-D505 IonicContact NZ-OD2 3.47Å; K299-D505 PolarHBondContact NZ-OD2 3.26Å
300	F	71.1	Confident	66.2	Low	150 Å²	150	80.8 Å²	80.8	66%	0.658	42%	0.415	S	S	*	.	H	α-helix	trans	-62	-38.4	175.3	-174.3	-91.3	0	0	0	112.4	P262 E296 V298 S303	P262-F300 HydrophobicContact CB-CD1 3.94Å; P262-F300 HydrophobicContact CG-CB 4.38Å; P262-F300 HydrophobicContact CG-CD1 3.67Å; P262-F300 HydrophobicContact CG-CE1 4.41Å; P262-F300 HydrophobicContact CG-CG 4.35Å; E296-F300 WeakPolarHBondContact O-CB 3.46Å; E296-F300 PolarHBondContact O-N 3.24Å; V298-F300 VanDerWaalsContact C-N 3.28Å; V298-F300 PolarHBondContact O-N 3.41Å; F300-S303 PolarHBondContact O-OG 3.41Å
301	A	67.7	Low	65.5	Low	9 Å²	9	77.6 Å²	77.6	7%	0.074	40%	0.398	C	S	.	.	H	α-helix	trans	-73.5	-37.8	177	0	0	0	0	0	113.1	P262 V266 K297 V298 K299 S303 S304	P262-A301 HydrophobicContact CB-CB 3.94Å; V266-A301 HydrophobicContact CG2-CB 3.8Å; K297-A301 PolarHBondContact O-N 3.02Å; K297-A301 VanDerWaalsContact O-N 3.14Å; V298-A301 CarbonylContact O-C 3.56Å; V298-A301 WeakPolarHBondContact O-CA 3.16Å; V298-A301 WeakPolarHBondContact O-CB 3.22Å; V298-A301 PolarHBondContact O-N 3.45Å; K299-A301 VanDerWaalsContact C-N 3.32Å; K299-A301 PolarHBondContact O-N 3.22Å; A301-S303 VanDerWaalsContact C-N 3.26Å; A301-S303 PolarHBondContact O-N 3.29Å; A301-S304 VanDerWaalsContact O-CB 3.31Å; A301-S304 WeakPolarHBondContact O-CB 3.29Å; A301-S304 PolarHBondContact O-N 2.96Å; A301-S304 PolarHBondContact O-OG 3.1Å
302	E	59.4	Low	65.2	Low	44 Å²	44	76.6 Å²	76.6	21%	0.206	39%	0.388	C	S	.	.	H	α-helix	trans	-64.9	-22.6	-179.7	-83.4	176.4	-174.1	0	0	114	V298 K299 S304 I305 A311	V298-E302 HydrophobicContact CG1-CG 4.26Å; V298-E302 WeakPolarHBondContact CG1-OE1 3.43Å; V298-E302 PolarHBondContact O-N 3.49Å; K299-E302 PolarHBondContact O-N 3.28Å; E302-S304 PolarHBondContact O-N 3.18Å; E302-I305 PolarHBondContact O-N 2.85Å; E302-A311 WeakPolarHBondContact OE1-CA 3.32Å; E302-A311 PolarHBondContact OE1-N 3.46Å; E302-A311 WeakPolarHBondContact OE2-CA 3.41Å; E302-A311 WeakPolarHBondContact OE2-CB 3.49Å; E302-A311 PolarHBondContact OE2-N 2.87Å
303	S	53.8	Low	65	Low	103 Å²	103	76.4 Å²	76.4	72%	0.72	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-10.2	166.9	69	0	0	0	0	113.9	K299 F300 A301	K299-S303 PolarHBondContact O-N 3.34Å; F300-S303 PolarHBondContact O-OG 3.41Å; A301-S303 VanDerWaalsContact C-N 3.26Å; A301-S303 PolarHBondContact O-N 3.29Å
304	S	49.9	Very low	64.7	Low	81 Å²	81	75.7 Å²	75.7	57%	0.566	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-10.4	177.3	-22.8	0	0	0	0	115.3	A301 E302	A301-S304 VanDerWaalsContact O-CB 3.31Å; A301-S304 WeakPolarHBondContact O-CB 3.29Å; A301-S304 PolarHBondContact O-N 2.96Å; A301-S304 PolarHBondContact O-OG 3.1Å; E302-S304 PolarHBondContact O-N 3.18Å
305	I	45.4	Very low	64.5	Low	117 Å²	117	76.4 Å²	76.4	60%	0.6	39%	0.394	S	S	*	.	S	Bend	trans	-141.2	126.1	-171.7	-57.5	175.3	0	0	0	109.2	E302	E302-I305 PolarHBondContact O-N 2.85Å
306	C	43.1	Very low	64.4	Low	92 Å²	92	78.9 Å²	78.9	62%	0.622	41%	0.407	S	S	*	.			trans	9	124.5	178.9	-91.8	0	0	0	0	119.3	E308	C306-E308 PolarHBondContact O-N 2.68Å
307	K	52	Low	64.4	Low	216 Å²	216	78.9 Å²	78.9	94%	0.939	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-1.6	175.4	-68.2	-178.5	175.3	-177.4	0	115.9
308	E	49.8	Very low	64.4	Low	166 Å²	166	77.6 Å²	77.6	78%	0.776	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-31.1	-168.6	-75.6	157.9	174.9	0	0	113.2	C306	C306-E308 PolarHBondContact O-N 2.68Å
309	D	52.1	Low	64.4	Low	102 Å²	102	79.6 Å²	79.6	55%	0.545	41%	0.408	S	S	.	.	S	Bend	trans	-110.4	99.2	176.6	-77.4	-21.6	0	0	0	109.6
310	R	66.4	Low	64.6	Low	136 Å²	136	79.7 Å²	79.7	51%	0.513	42%	0.415	S	S	.	.			trans	-66.4	151.2	170.5	-71.9	-169.9	-91.1	-128.3	10.4	110.9	H312 G313 L314 E508	R310-H312 PolarHBondContact O-N 3.48Å; R310-G313 WeakPolarHBondContact O-CA 3.25Å; R310-G313 PolarHBondContact O-N 3.22Å; R310-L314 PolarHBondContact O-N 3.44Å; R310-E508 WeakPolarHBondContact CD-OE2 3.29Å; R310-E508 IonicContact CZ-OE1 3.71Å; R310-E508 VanDerWaalsContact CZ-OE1 3.28Å; R310-E508 IonicContact CZ-OE2 3.84Å; R310-E508 IonicContact NE-OE2 3.52Å; R310-E508 PolarHBondContact NE-OE2 2.69Å; R310-E508 IonicContact NH1-OE1 2.58Å; R310-E508 PolarHBondContact NH1-OE1 3.14Å; R310-E508 IonicContact NH1-OE2 2.72Å; R310-E508 PolarHBondContact NH1-OE2 3.2Å; R310-E508 VanDerWaalsContact NH2-CD 3.31Å; R310-E508 IonicContact NH2-OE1 2.69Å; R310-E508 PolarHBondContact NH2-OE1 3.07Å; R310-E508 IonicContact NH2-OE2 3.31Å; R310-E508 PolarHBondContact NH2-OE2 3.12Å
311	A	68.3	Low	65.1	Low	1 Å²	1	75 Å²	75	1%	0.008	40%	0.396	C	S	.	.	H	α-helix	trans	-47.7	-35.3	-178	0	0	0	0	0	115.4	L295 V298 K299 E302 L315	L295-A311 HydrophobicContact CD1-CB 3.55Å; V298-A311 HydrophobicContact CB-CB 3.91Å; V298-A311 HydrophobicContact CG1-CB 3.45Å; V298-A311 VanDerWaalsContact CG1-CB 3.45Å; K299-A311 HydrophobicContact CG-CB 3.9Å; E302-A311 WeakPolarHBondContact OE1-CA 3.32Å; E302-A311 PolarHBondContact OE1-N 3.46Å; E302-A311 WeakPolarHBondContact OE2-CA 3.41Å; E302-A311 WeakPolarHBondContact OE2-CB 3.49Å; E302-A311 PolarHBondContact OE2-N 2.87Å; A311-L315 WeakPolarHBondContact O-CG 3.35Å; A311-L315 PolarHBondContact O-N 3.32Å
312	H	71.2	Confident	65.6	Low	34 Å²	34	76.4 Å²	76.4	16%	0.157	41%	0.408	C	S	.	.	H	α-helix	trans	-71.2	-38.1	176.7	-67.9	-75.9	0	0	0	113.4	L295 R310 L314 L315 N316 Q509	L295-H312 WeakPolarHBondContact CD1-CE1 3.44Å; L295-H312 WeakPolarHBondContact CD1-NE2 3.18Å; L295-H312 WeakPolarHBondContact CD2-CE1 3.43Å; L295-H312 WeakPolarHBondContact CD2-NE2 3.49Å; R310-H312 PolarHBondContact O-N 3.48Å; H312-L314 VanDerWaalsContact C-N 3.35Å; H312-L315 PolarHBondContact O-N 2.82Å; H312-N316 WeakPolarHBondContact O-CB 3.38Å; H312-N316 PolarHBondContact O-N 3.03Å; H312-Q509 HydrophobicContact CB-CG 4.15Å; H312-Q509 PolarHBondContact CD2-NE2 3.12Å; H312-Q509 PolarHBondContact CE1-NE2 3.03Å; H312-Q509 PolarHBondContact ND1-NE2 2.82Å; H312-Q509 PolarHBondContact NE2-NE2 3.49Å
313	G	70.9	Confident	66.4	Low	40 Å²	40	80.5 Å²	80.5	41%	0.412	43%	0.426	S	S	.	.	H	α-helix	trans	-63.1	-42.9	176.3	0	0	0	0	0	111.4	R310 L315 N316 R317	R310-G313 WeakPolarHBondContact O-CA 3.25Å; R310-G313 PolarHBondContact O-N 3.22Å; G313-L315 PolarHBondContact O-N 3.37Å; G313-N316 PolarHBondContact O-N 3.36Å; G313-R317 PolarHBondContact O-N 2.84Å
314	L	73.4	Confident	67.2	Low	27 Å²	27	78.2 Å²	78.2	14%	0.141	41%	0.407	C	S	.	.	H	α-helix	trans	-60	-45.3	174.9	-178.6	65.1	0	0	0	111.9	V298 R310 H312 R317 I318	V298-L314 HydrophobicContact CG1-CD2 4.44Å; R310-L314 PolarHBondContact O-N 3.44Å; H312-L314 VanDerWaalsContact C-N 3.35Å; L314-R317 PolarHBondContact O-N 3.06Å; L314-I318 HydrophobicContact CD1-CD1 4.03Å; L314-I318 HydrophobicContact CG-CD1 4.09Å; L314-I318 WeakPolarHBondContact O-CD1 3.44Å; L314-I318 VanDerWaalsContact O-CG1 3.3Å; L314-I318 WeakPolarHBondContact O-CG1 3.18Å; L314-I318 PolarHBondContact O-N 3.34Å
315	L	77.8	Confident	68.2	Low	22 Å²	22	80.5 Å²	80.5	12%	0.115	42%	0.418	C	S	.	.	H	α-helix	trans	-67.5	-42.7	179.2	-71.2	172.6	0	0	0	112.1	L269 L294 L295 A311 H312 G313 R317 I318 V319	L269-L315 HydrophobicContact CD1-CD2 3.81Å; L269-L315 HydrophobicContact CD2-CD2 4.4Å; L294-L315 HydrophobicContact CD2-CD1 4.25Å; L294-L315 HydrophobicContact CD2-CD2 3.64Å; L294-L315 HydrophobicContact CG-CD2 4.35Å; L295-L315 HydrophobicContact CD1-CD1 4.47Å; A311-L315 WeakPolarHBondContact O-CG 3.35Å; A311-L315 PolarHBondContact O-N 3.32Å; H312-L315 PolarHBondContact O-N 2.82Å; G313-L315 PolarHBondContact O-N 3.37Å; L315-R317 PolarHBondContact O-N 3.48Å; L315-I318 PolarHBondContact O-N 3.36Å; L315-I318 VanDerWaalsContact O-N 3.09Å; L315-V319 WeakPolarHBondContact O-CB 3.29Å; L315-V319 WeakPolarHBondContact O-CG2 3.32Å; L315-V319 PolarHBondContact O-N 3.17Å
316	N	76.8	Confident	69.3	Low	68 Å²	68	79.9 Å²	79.9	36%	0.364	42%	0.421	S	S	.	.	H	α-helix	trans	-63.9	-29.6	177.8	-77.5	-20.7	0	0	0	112.6	H312 G313	H312-N316 WeakPolarHBondContact O-CB 3.38Å; H312-N316 PolarHBondContact O-N 3.03Å; G313-N316 PolarHBondContact O-N 3.36Å
317	R	75.4	Confident	70.4	Confident	130 Å²	130	80 Å²	80	49%	0.491	42%	0.419	S	S	.	.	H	α-helix	trans	-71.6	-29.7	173.8	-168.4	165.7	71.9	154.1	-5.7	113.2	G313 L314 L315 I413	G313-R317 PolarHBondContact O-N 2.84Å; L314-R317 PolarHBondContact O-N 3.06Å; L315-R317 PolarHBondContact O-N 3.48Å; R317-I413 HydrophobicContact CG-CD1 4.01Å
318	I	77	Confident	71	Confident	22 Å²	22	73.9 Å²	73.9	11%	0.113	40%	0.395	C	S	.	.	H	α-helix	trans	-92.5	-40	-176	-63.2	169.7	0	0	0	111.4	L269 I272 N273 L314 L315 T320	L269-I318 HydrophobicContact CB-CD1 3.76Å; L269-I318 HydrophobicContact CD2-CD1 4.45Å; L269-I318 WeakPolarHBondContact O-CD1 3.44Å; I272-I318 HydrophobicContact CG2-CG2 4.21Å; N273-I318 HydrophobicContact CB-CD1 4.46Å; N273-I318 HydrophobicContact CB-CG1 4.09Å; L314-I318 HydrophobicContact CD1-CD1 4.03Å; L314-I318 HydrophobicContact CG-CD1 4.09Å; L314-I318 WeakPolarHBondContact O-CD1 3.44Å; L314-I318 VanDerWaalsContact O-CG1 3.3Å; L314-I318 WeakPolarHBondContact O-CG1 3.18Å; L314-I318 PolarHBondContact O-N 3.34Å; L315-I318 PolarHBondContact O-N 3.36Å; L315-I318 VanDerWaalsContact O-N 3.09Å; I318-T320 PolarHBondContact O-N 3.36Å
319	V	78.4	Confident	72	Confident	42 Å²	42	67.7 Å²	67.7	26%	0.255	37%	0.37	S	S	.	.			trans	-88.9	101.8	-172.8	-179.2	0	0	0	0	109.8	L315 A322	L315-V319 WeakPolarHBondContact O-CB 3.29Å; L315-V319 WeakPolarHBondContact O-CG2 3.32Å; L315-V319 PolarHBondContact O-N 3.17Å; V319-A322 HydrophobicContact CG1-CB 4.01Å
320	T	76.6	Confident	73	Confident	72 Å²	72	70.7 Å²	70.7	44%	0.442	38%	0.381	S	S	.	.	S	Bend	trans	-75.3	-26.6	178	58.5	0	0	0	0	113.5	I318 R417	I318-T320 PolarHBondContact O-N 3.36Å; T320-R417 WeakPolarHBondContact O-CA 3.28Å; T320-R417 WeakPolarHBondContact O-CG 3.12Å
321	L	82.1	Confident	73.3	Confident	50 Å²	50	70 Å²	70	26%	0.262	39%	0.387	S	S	.	.			trans	-151	113.3	178.5	-179.4	70.3	0	0	0	109.2	V424	L321-V424 HydrophobicContact CD1-CG2 4.4Å; L321-V424 HydrophobicContact CD2-CG2 3.69Å
322	A	78.1	Confident	73.4	Confident	40 Å²	40	70.8 Å²	70.8	33%	0.331	39%	0.391	S	S	.	.			trans	-94.6	133.6	171.4	0	0	0	0	0	109.1	V319 V540	V319-A322 HydrophobicContact CG1-CB 4.01Å; A322-V540 WeakPolarHBondContact O-CG1 3.42Å
323	F	76.1	Confident	73.8	Confident	130 Å²	130	74.7 Å²	74.7	57%	0.57	41%	0.408	S	S	*	.			trans	-131.5	132.9	171	61.3	-91.7	0	0	0	110	V540	F323-V540 WeakPolarHBondContact CA-O 3.49Å; F323-V540 HydrophobicContact CB-CG1 3.25Å
324	T	70.3	Confident	73.9	Confident	54 Å²	54	79.2 Å²	79.2	33%	0.331	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-96.9	141.6	176.7	54.6	0	0	0	0	110.5	P326 L542	T324-P326 WeakPolarHBondContact O-CD 3.18Å; T324-L542 VanDerWaalsContact CG2-O 3.25Å; T324-L542 WeakPolarHBondContact CG2-O 3.45Å; T324-L542 PolarHBondContact OG1-O 2.94Å
325	V	71.9	Confident	74.2	Confident	129 Å²	129	83.1 Å²	83.1	78%	0.782	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-74.3	124.2	172.9	-179.6	0	0	0	0	107.5
326	P	67.3	Low	74.2	Confident	104 Å²	104	85.7 Å²	85.7	68%	0.675	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-56.7	151.6	179.8	-25.6	33.9	0	0	0	112.3	T324 M328	T324-P326 WeakPolarHBondContact O-CD 3.18Å; P326-M328 PolarHBondContact O-N 2.9Å
327	T	66.2	Low	74.4	Confident	94 Å²	94	88.4 Å²	88.4	58%	0.577	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-61.8	134.3	174.1	53.9	0	0	0	0	110.3	S329	T327-S329 PolarHBondContact O-N 3.14Å
328	M	64.8	Low	74.4	Confident	88 Å²	88	87.3 Å²	87.3	43%	0.433	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-57.9	132.3	178.5	-68	-157.2	-68	0	0	111.3	P326 K333 L336	P326-M328 PolarHBondContact O-N 2.9Å; M328-K333 HydrophobicContact CB-CG 3.87Å; M328-K333 HydrophobicContact CE-CG 4.26Å; M328-K333 WeakPolarHBondContact O-CE 3.48Å; M328-L336 HydrophobicContact CE-CD1 4.1Å; M328-L336 HydrophobicContact CE-CD2 4.25Å; M328-L336 HydrophobicContact SD-CD1 4.12Å
329	S	71.6	Confident	74.4	Confident	36 Å²	36	89.1 Å²	89.1	25%	0.252	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-63.1	155.8	173.6	70.1	0	0	0	0	111.1	T327 N331 L332 K333	T327-S329 PolarHBondContact O-N 3.14Å; S329-N331 PolarHBondContact O-N 3.4Å; S329-L332 PolarHBondContact O-N 3.3Å; S329-L332 WeakPolarHBondContact OG-CD1 3.43Å; S329-L332 WeakPolarHBondContact OG-CG 3.33Å; S329-L332 PolarHBondContact OG-N 3.23Å; S329-K333 WeakPolarHBondContact O-CG 3.31Å; S329-K333 PolarHBondContact O-N 2.93Å
330	Q	72.3	Confident	74.3	Confident	166 Å²	166	92.1 Å²	92.1	78%	0.776	49%	0.485	S	S	*	.	H	α-helix	trans	-59.4	-36.5	-178	-165.8	162.2	-4.1	0	0	112.2	K333 H334	Q330-K333 PolarHBondContact O-N 2.9Å; Q330-H334 WeakPolarHBondContact O-CB 3.4Å; Q330-H334 PolarHBondContact O-N 3.49Å
331	N	73.1	Confident	74.1	Confident	120 Å²	120	93.5 Å²	93.5	64%	0.642	49%	0.49	S	S	*	.	H	α-helix	trans	-63.8	-41.4	175.2	-66.5	-20.4	0	0	0	112.3	S329 H334 K335	S329-N331 PolarHBondContact O-N 3.4Å; N331-H334 PolarHBondContact O-N 2.72Å; N331-K335 WeakPolarHBondContact O-CG 3.48Å; N331-K335 PolarHBondContact O-N 2.83Å
332	L	69.9	Low	73.3	Confident	19 Å²	19	95.8 Å²	95.8	10%	0.099	50%	0.502	C	S	.	.	H	α-helix	trans	-71.5	-39.8	176.8	-75.4	171.2	0	0	0	112.2	S329 H334 K335 L336 P366 L369 A370	S329-L332 PolarHBondContact O-N 3.3Å; S329-L332 WeakPolarHBondContact OG-CD1 3.43Å; S329-L332 WeakPolarHBondContact OG-CG 3.33Å; S329-L332 PolarHBondContact OG-N 3.23Å; L332-H334 VanDerWaalsContact C-N 3.28Å; L332-H334 PolarHBondContact O-N 3.13Å; L332-K335 PolarHBondContact O-N 3.48Å; L332-L336 VanDerWaalsContact O-CB 3.25Å; L332-L336 WeakPolarHBondContact O-CB 3.09Å; L332-L336 PolarHBondContact O-N 2.79Å; L332-P366 WeakPolarHBondContact CD1-O 3.47Å; L332-P366 HydrophobicContact CD2-CB 4.46Å; L332-L369 HydrophobicContact CD2-CB 3.82Å; L332-L369 HydrophobicContact CD2-CD1 4.24Å; L332-L369 HydrophobicContact CG-CB 4.26Å; L332-A370 HydrophobicContact CD1-CB 3.77Å
333	K	79.4	Confident	72.2	Confident	116 Å²	116	98.6 Å²	98.6	50%	0.504	52%	0.515	S	S	.	.	H	α-helix	trans	-56.1	-46.1	172.4	-73.3	176.4	176.5	173	0	110.5	M328 S329 Q330 L336 F337	M328-K333 HydrophobicContact CB-CG 3.87Å; M328-K333 HydrophobicContact CE-CG 4.26Å; M328-K333 WeakPolarHBondContact O-CE 3.48Å; S329-K333 WeakPolarHBondContact O-CG 3.31Å; S329-K333 PolarHBondContact O-N 2.93Å; Q330-K333 PolarHBondContact O-N 2.9Å; K333-L336 PolarHBondContact O-N 3.26Å; K333-F337 VanDerWaalsContact O-CB 3.24Å; K333-F337 WeakPolarHBondContact O-CB 3.34Å; K333-F337 PolarHBondContact O-N 3.37Å
334	H	74.1	Confident	70.6	Confident	135 Å²	135	98.4 Å²	98.4	63%	0.625	53%	0.527	S	S	*	.	H	α-helix	trans	-63.1	-46.5	177.6	-172.2	-83.3	0	0	0	112.3	Q330 N331 L332 L336 F337 H338	Q330-H334 WeakPolarHBondContact O-CB 3.4Å; Q330-H334 PolarHBondContact O-N 3.49Å; N331-H334 PolarHBondContact O-N 2.72Å; L332-H334 VanDerWaalsContact C-N 3.28Å; L332-H334 PolarHBondContact O-N 3.13Å; H334-L336 PolarHBondContact O-N 3.12Å; H334-F337 PolarHBondContact O-N 3.14Å; H334-H338 WeakPolarHBondContact O-CB 3.46Å; H334-H338 PolarHBondContact O-N 3.4Å
335	K	78.9	Confident	69.4	Low	108 Å²	108	98.7 Å²	98.7	47%	0.47	54%	0.54	S	S	.	.	H	α-helix	trans	-61.1	-43.9	176.1	-74.3	-178.6	-178.3	-172.5	0	112.3	N331 L332 H338 S339 L369	N331-K335 WeakPolarHBondContact O-CG 3.48Å; N331-K335 PolarHBondContact O-N 2.83Å; L332-K335 PolarHBondContact O-N 3.48Å; K335-H338 PolarHBondContact O-N 2.93Å; K335-S339 WeakPolarHBondContact O-CB 3.24Å; K335-S339 PolarHBondContact O-N 3.44Å; K335-L369 HydrophobicContact CD-CD1 4.4Å; K335-L369 VanDerWaalsContact NZ-CD1 3.29Å
336	L	78.8	Confident	68.1	Low	76 Å²	76	102.4 Å²	102.4	40%	0.398	55%	0.547	S	S	.	.	H	α-helix	trans	-65.5	-46.6	178.8	-178.9	136.2	0	0	0	110.8	M328 L332 K333 H334 H338 S339 L340	M328-L336 HydrophobicContact CE-CD1 4.1Å; M328-L336 HydrophobicContact CE-CD2 4.25Å; M328-L336 HydrophobicContact SD-CD1 4.12Å; L332-L336 VanDerWaalsContact O-CB 3.25Å; L332-L336 WeakPolarHBondContact O-CB 3.09Å; L332-L336 PolarHBondContact O-N 2.79Å; K333-L336 PolarHBondContact O-N 3.26Å; H334-L336 PolarHBondContact O-N 3.12Å; L336-H338 VanDerWaalsContact C-N 3.33Å; L336-H338 PolarHBondContact O-N 3.45Å; L336-S339 WeakPolarHBondContact CA-OG 3.48Å; L336-S339 PolarHBondContact O-N 3.35Å; L336-S339 VanDerWaalsContact O-N 3.11Å; L336-S339 PolarHBondContact O-OG 2.83Å; L336-L340 HydrophobicContact CD2-CD1 3.52Å; L336-L340 HydrophobicContact CD2-CG 4.33Å; L336-L340 HydrophobicContact CG-CD1 4.21Å; L336-L340 WeakPolarHBondContact O-CG 3.45Å; L336-L340 PolarHBondContact O-N 3.4Å
337	F	80.1	Confident	66.5	Low	125 Å²	125	102.4 Å²	102.4	55%	0.548	55%	0.549	S	S	.	.	H	α-helix	trans	-57	-46.1	175.5	-176.7	-100.9	0	0	0	111.7	K333 H334 S339 L340 N341	K333-F337 VanDerWaalsContact O-CB 3.24Å; K333-F337 WeakPolarHBondContact O-CB 3.34Å; K333-F337 PolarHBondContact O-N 3.37Å; H334-F337 PolarHBondContact O-N 3.14Å; F337-S339 PolarHBondContact O-N 3.41Å; F337-L340 PolarHBondContact O-N 2.89Å; F337-N341 VanDerWaalsContact CE1-ND2 3.28Å; F337-N341 WeakPolarHBondContact CE1-ND2 3.48Å; F337-N341 WeakPolarHBondContact CZ-ND2 3.31Å; F337-N341 PolarHBondContact O-N 2.79Å
338	H	75.6	Confident	65.3	Low	107 Å²	107	106.6 Å²	106.6	50%	0.495	56%	0.562	S	S	.	*	H	α-helix	trans	-63.8	-39.1	175.5	-173	-104.2	0	0	0	112.3	H334 K335 L336 N342	H334-H338 WeakPolarHBondContact O-CB 3.46Å; H334-H338 PolarHBondContact O-N 3.4Å; K335-H338 PolarHBondContact O-N 2.93Å; L336-H338 VanDerWaalsContact C-N 3.33Å; L336-H338 PolarHBondContact O-N 3.45Å; H338-N342 PolarHBondContact CE1-ND2 2.99Å; H338-N342 PolarHBondContact ND1-ND2 2.58Å; H338-N342 VanDerWaalsContact ND1-ND2 3.2Å; H338-N342 PolarHBondContact NE2-ND2 2.86Å; H338-N342 WeakPolarHBondContact O-CB 3.41Å; H338-N342 PolarHBondContact O-N 3.03Å; H338-N342 VanDerWaalsContact O-N 3.11Å; H338-N342 PolarHBondContact O-ND2 3.23Å
339	S	76	Confident	63.8	Low	60 Å²	60	109.7 Å²	109.7	42%	0.42	58%	0.58	S	S	.	*	H	α-helix	trans	-66.2	-36.1	176.7	74.2	0	0	0	0	113.2	K335 L336 F337 T343	K335-S339 WeakPolarHBondContact O-CB 3.24Å; K335-S339 PolarHBondContact O-N 3.44Å; L336-S339 WeakPolarHBondContact CA-OG 3.48Å; L336-S339 PolarHBondContact O-N 3.35Å; L336-S339 VanDerWaalsContact O-N 3.11Å; L336-S339 PolarHBondContact O-OG 2.83Å; F337-S339 PolarHBondContact O-N 3.41Å; S339-T343 PolarHBondContact O-OG1 3Å
340	L	77.1	Confident	61.6	Low	106 Å²	106	112.3 Å²	112.3	56%	0.555	60%	0.599	S	S	*	*	H	α-helix	trans	-71.4	-43	177.3	-70.9	173.6	0	0	0	111.2	L336 F337 N342 T343	L336-L340 HydrophobicContact CD2-CD1 3.52Å; L336-L340 HydrophobicContact CD2-CG 4.33Å; L336-L340 HydrophobicContact CG-CD1 4.21Å; L336-L340 WeakPolarHBondContact O-CG 3.45Å; L336-L340 PolarHBondContact O-N 3.4Å; F337-L340 PolarHBondContact O-N 2.89Å; L340-N342 VanDerWaalsContact C-N 3.3Å; L340-N342 PolarHBondContact O-N 3.44Å; L340-T343 PolarHBondContact O-N 3.2Å
341	N	72.8	Confident	59.7	Low	101 Å²	101	110.3 Å²	110.3	54%	0.54	60%	0.6	S	S	.	*	H	α-helix	trans	-66.1	-30.5	177.8	-80.4	2.7	0	0	0	113.2	F337 T343	F337-N341 VanDerWaalsContact CE1-ND2 3.28Å; F337-N341 WeakPolarHBondContact CE1-ND2 3.48Å; F337-N341 WeakPolarHBondContact CZ-ND2 3.31Å; F337-N341 PolarHBondContact O-N 2.79Å; N341-T343 PolarHBondContact O-N 3.09Å
342	N	65.2	Low	57.9	Low	98 Å²	98	112 Å²	112	52%	0.524	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81	1.5	179.4	-68.4	-18.6	0	0	0	114.1	H338 L340 P344	H338-N342 PolarHBondContact CE1-ND2 2.99Å; H338-N342 PolarHBondContact ND1-ND2 2.58Å; H338-N342 VanDerWaalsContact ND1-ND2 3.2Å; H338-N342 PolarHBondContact NE2-ND2 2.86Å; H338-N342 WeakPolarHBondContact O-CB 3.41Å; H338-N342 PolarHBondContact O-N 3.03Å; H338-N342 VanDerWaalsContact O-N 3.11Å; H338-N342 PolarHBondContact O-ND2 3.23Å; L340-N342 VanDerWaalsContact C-N 3.3Å; L340-N342 PolarHBondContact O-N 3.44Å; N342-P344 VanDerWaalsContact C-CD 3.44Å; N342-P344 WeakPolarHBondContact O-CD 3.32Å
343	T	54.3	Low	55.8	Low	99 Å²	99	121 Å²	121	61%	0.607	64%	0.641	S	S	*	*			trans	-118.7	73.3	177.5	-37.9	0	0	0	0	110.4	S339 L340 N341 G345	S339-T343 PolarHBondContact O-OG1 3Å; L340-T343 PolarHBondContact O-N 3.2Å; N341-T343 PolarHBondContact O-N 3.09Å; T343-G345 PolarHBondContact O-N 3Å
344	P	43.1	Very low	53.5	Low	126 Å²	126	125.6 Å²	125.6	82%	0.818	66%	0.655	S	S	*	*			trans	-77	97.5	174.9	31.7	-30.2	0	0	0	108.7	N342	N342-P344 VanDerWaalsContact C-CD 3.44Å; N342-P344 WeakPolarHBondContact O-CD 3.32Å
345	G	45.8	Very low	51.3	Low	59 Å²	59	125 Å²	125	61%	0.608	66%	0.657	S	S	*	*			trans	147.1	87.7	172.1	0	0	0	0	0	113.7	T343 S347	T343-G345 PolarHBondContact O-N 3Å; G345-S347 PolarHBondContact O-N 3.3Å; G345-S347 VanDerWaalsContact O-N 3.14Å
346	F	44.6	Very low	48.9	Very low	208 Å²	208	131.1 Å²	131.1	91%	0.912	68%	0.677	S	S	*	*			trans	-68.1	100.7	155.6	-98.4	-98.4	0	0	0	107.7
347	S	33.2	Very low	46.5	Very low	104 Å²	104	135.9 Å²	135.9	73%	0.727	70%	0.697	S	S	*	*			trans	-99.4	117.1	157.5	178.3	0	0	0	0	107.1	G345 D349	G345-S347 PolarHBondContact O-N 3.3Å; G345-S347 VanDerWaalsContact O-N 3.14Å; S347-D349 PolarHBondContact O-N 3.01Å
348	E	40.8	Very low	44.3	Very low	181 Å²	181	141.4 Å²	141.4	85%	0.846	71%	0.714	S	S	*	*	S	Bend	trans	-74.5	-2.5	-174	-78.9	-170.9	139.4	0	0	114.6
349	D	32.1	Very low	42.1	Very low	153 Å²	153	147.2 Å²	147.2	82%	0.818	73%	0.732	S	S	*	*			trans	-114.3	70.2	-177.5	-73.2	-35.5	0	0	0	113	S347	S347-D349 PolarHBondContact O-N 3.01Å
350	S	26.8	Very low	40.1	Very low	92 Å²	92	154.7 Å²	154.7	64%	0.643	76%	0.757	S	S	*	*			trans	-162.6	121.6	152.6	-147.9	0	0	0	0	112.4	L352	S350-L352 PolarHBondContact O-N 3.49Å
351	P	32.5	Very low	37.8	Very low	123 Å²	123	154.5 Å²	154.5	80%	0.799	76%	0.76	S	S	*	*			trans	-69.3	101.1	170.7	28.1	-29.9	0	0	0	109	R353	P351-R353 PolarHBondContact O-N 3.24Å
352	L	35.5	Very low	36	Very low	156 Å²	156	153 Å²	153	82%	0.817	76%	0.758	S	S	*	*			trans	35.4	62.4	151.4	-75.1	159.2	0	0	0	114.9	S350 W354	S350-L352 PolarHBondContact O-N 3.49Å; L352-W354 PolarHBondContact O-N 3.43Å; L352-W354 VanDerWaalsContact O-N 3.09Å
353	R	25.5	Very low	34.7	Very low	207 Å²	207	154.2 Å²	154.2	78%	0.781	77%	0.768	S	S	*	*			trans	-82.9	77.4	163.4	-168.5	175.2	156.4	-175.2	-5.6	108.6	P351 N355	P351-R353 PolarHBondContact O-N 3.24Å; R353-N355 PolarHBondContact O-N 3.12Å; R353-N355 VanDerWaalsContact O-N 3.07Å
354	W	30.2	Very low	34	Very low	213 Å²	213	153 Å²	153	81%	0.807	76%	0.757	S	S	*	*			trans	-57.3	113.3	162.9	-147.8	-67.1	0	0	0	106.9	L352 R356	L352-W354 PolarHBondContact O-N 3.43Å; L352-W354 VanDerWaalsContact O-N 3.09Å; W354-R356 PolarHBondContact O-N 3.46Å
355	N	27.9	Very low	33.6	Very low	124 Å²	124	152.4 Å²	152.4	66%	0.663	74%	0.743	S	S	*	*			trans	-56.2	116.1	-173.4	-100.8	-27.8	0	0	0	110.3	R353 H357	R353-N355 PolarHBondContact O-N 3.12Å; R353-N355 VanDerWaalsContact O-N 3.07Å; N355-H357 PolarHBondContact O-N 2.86Å
356	R	29.9	Very low	33.2	Very low	235 Å²	235	153.1 Å²	153.1	89%	0.887	74%	0.737	S	S	*	*			trans	-81	53.5	-176.9	-159.9	-173.4	-80.1	-172.2	-4.3	109.7	W354	W354-R356 PolarHBondContact O-N 3.46Å
357	H	27.8	Very low	32.8	Very low	176 Å²	176	148.8 Å²	148.8	82%	0.815	72%	0.722	S	S	*	*	S	Bend	trans	-140.5	101.4	168.1	-76.8	-40.1	0	0	0	111	N355	N355-H357 PolarHBondContact O-N 2.86Å
358	R	34.3	Very low	32.8	Very low	241 Å²	241	145 Å²	145	91%	0.909	70%	0.695	S	S	*	*	S	Bend	trans	68.2	77.5	139.4	-144.8	179.8	-162.1	-169.7	4.1	116.7
359	R	29.4	Very low	32.6	Very low	230 Å²	230	139.5 Å²	139.5	87%	0.868	67%	0.671	S	S	*	*				-172.9	140.7	115.7	-96.5	168.6	-164.9	170.6	5.1	107.9	T361	R359-T361 PolarHBondContact O-N 3.28Å
360	K	34.1	Very low	32.9	Very low	217 Å²	217	134.9 Å²	134.9	94%	0.943	65%	0.654	S	S	*	*			trans	-65.9	81.2	173.8	-69	172	175.5	175.8	0	108.7
361	T	28.5	Very low	33.8	Very low	101 Å²	101	133.7 Å²	133.7	62%	0.62	64%	0.639	S	S	*	*			trans	-125.8	85.7	167.2	36.2	0	0	0	0	107	R359	R359-T361 PolarHBondContact O-N 3.28Å
362	S	34	Very low	34	Very low	71 Å²	71	131.2 Å²	131.2	50%	0.497	64%	0.636	S	S	.	*			trans	-60.8	142.2	173.5	44.1	0	0	0	0	110.3	I364	S362-I364 PolarHBondContact O-N 2.89Å; S362-I364 WeakPolarHBondContact OG-CD1 3.2Å
363	V	39	Very low	34.5	Very low	122 Å²	122	126.2 Å²	126.2	74%	0.739	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-22.3	-0.4	155.5	-177.6	0	0	0	0	118.2	P366	V363-P366 WeakPolarHBondContact O-CD 3.33Å
364	I	38.6	Very low	35.1	Very low	74 Å²	74	120 Å²	120	38%	0.379	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.1	-21.9	177.7	-57.8	176.2	0	0	0	112.1	S362 I367 V368 T375	S362-I364 PolarHBondContact O-N 2.89Å; S362-I364 WeakPolarHBondContact OG-CD1 3.2Å; I364-I367 PolarHBondContact O-N 2.95Å; I364-V368 HydrophobicContact CG2-CB 3.93Å; I364-V368 HydrophobicContact CG2-CG2 3.3Å; I364-V368 WeakPolarHBondContact O-CB 3.34Å; I364-V368 PolarHBondContact O-N 3.26Å; I364-T375 HydrophobicContact CB-CG2 4.43Å; I364-T375 HydrophobicContact CD1-CG2 4.48Å; I364-T375 HydrophobicContact CG2-CG2 3.64Å
365	E	34.1	Very low	35.7	Very low	114 Å²	114	113.3 Å²	113.3	53%	0.533	58%	0.58	S	S	.	*	H	α-helix	trans	-49.7	-45.5	-179.1	-95.1	-177	167.6	0	0	115.5	I367 L369	E365-I367 PolarHBondContact O-N 3.44Å; E365-L369 HydrophobicContact CB-CD1 4.03Å; E365-L369 HydrophobicContact CG-CD1 4.08Å; E365-L369 WeakPolarHBondContact O-CB 3.43Å; E365-L369 WeakPolarHBondContact O-CD1 3.28Å; E365-L369 WeakPolarHBondContact O-CG 3.37Å; E365-L369 PolarHBondContact O-N 2.91Å
366	P	37.3	Very low	36.3	Very low	73 Å²	73	114.8 Å²	114.8	47%	0.474	58%	0.583	S	S	.	*	H	α-helix	trans	-70.6	-27.1	-177.6	24	-31.9	0	0	0	114.4	L332 V363	L332-P366 WeakPolarHBondContact CD1-O 3.47Å; L332-P366 HydrophobicContact CD2-CB 4.46Å; V363-P366 WeakPolarHBondContact O-CD 3.33Å
367	I	36.8	Very low	37	Very low	118 Å²	118	105 Å²	105	61%	0.605	55%	0.55	S	S	*	*	H	α-helix	trans	-83.9	-42.8	176	-65.2	171.9	0	0	0	109.8	I364 E365 A370 I371	I364-I367 PolarHBondContact O-N 2.95Å; E365-I367 PolarHBondContact O-N 3.44Å; I367-A370 PolarHBondContact O-N 3.42Å; I367-I371 HydrophobicContact CG2-CD1 3.73Å; I367-I371 WeakPolarHBondContact O-CD1 3.44Å; I367-I371 VanDerWaalsContact O-CG1 3.29Å; I367-I371 WeakPolarHBondContact O-CG1 3.36Å; I367-I371 PolarHBondContact O-N 3.29Å
368	V	34.3	Very low	38	Very low	25 Å²	25	98.3 Å²	98.3	15%	0.152	52%	0.52	C	S	.	.	H	α-helix	trans	-69.3	-36.1	-179.9	150.5	0	0	0	0	113	I364 A370 I371 G372 E373 T375 I378	I364-V368 HydrophobicContact CG2-CB 3.93Å; I364-V368 HydrophobicContact CG2-CG2 3.3Å; I364-V368 WeakPolarHBondContact O-CB 3.34Å; I364-V368 PolarHBondContact O-N 3.26Å; V368-A370 VanDerWaalsContact C-N 3.32Å; V368-I371 PolarHBondContact O-N 3.07Å; V368-G372 PolarHBondContact O-N 3.08Å; V368-E373 WeakPolarHBondContact CG1-O 3.03Å; V368-T375 HydrophobicContact CG1-CG2 4.45Å; V368-T375 HydrophobicContact CG2-CG2 3.95Å; V368-I378 HydrophobicContact CG2-CD1 3.9Å
369	L	36.7	Very low	38.6	Very low	64 Å²	64	88.4 Å²	88.4	34%	0.335	49%	0.486	S	S	.	.	H	α-helix	trans	-76.3	-17.4	173.9	-77.9	156.6	0	0	0	113.5	L332 K335 E365	L332-L369 HydrophobicContact CD2-CB 3.82Å; L332-L369 HydrophobicContact CD2-CD1 4.24Å; L332-L369 HydrophobicContact CG-CB 4.26Å; K335-L369 HydrophobicContact CD-CD1 4.4Å; K335-L369 VanDerWaalsContact NZ-CD1 3.29Å; E365-L369 HydrophobicContact CB-CD1 4.03Å; E365-L369 HydrophobicContact CG-CD1 4.08Å; E365-L369 WeakPolarHBondContact O-CB 3.43Å; E365-L369 WeakPolarHBondContact O-CD1 3.28Å; E365-L369 WeakPolarHBondContact O-CG 3.37Å; E365-L369 PolarHBondContact O-N 2.91Å
370	A	37.9	Very low	39.4	Very low	56 Å²	56	82.6 Å²	82.6	46%	0.463	47%	0.473	S	S	.	.	H	α-helix	trans	-77	-27.5	168.9	0	0	0	0	0	111.5	L332 I367 V368	L332-A370 HydrophobicContact CD1-CB 3.77Å; I367-A370 PolarHBondContact O-N 3.42Å; V368-A370 VanDerWaalsContact C-N 3.32Å
371	I	45	Very low	40.1	Very low	67 Å²	67	73.9 Å²	73.9	34%	0.344	44%	0.437	S	S	.	.	H	α-helix	trans	-98.7	-18.2	-174.5	-65.1	170	0	0	0	112.5	I367 V368 E373 L432	I367-I371 HydrophobicContact CG2-CD1 3.73Å; I367-I371 WeakPolarHBondContact O-CD1 3.44Å; I367-I371 VanDerWaalsContact O-CG1 3.29Å; I367-I371 WeakPolarHBondContact O-CG1 3.36Å; I367-I371 PolarHBondContact O-N 3.29Å; V368-I371 PolarHBondContact O-N 3.07Å; I371-E373 VanDerWaalsContact C-N 3.32Å; I371-E373 HydrophobicContact CG2-CB 4.46Å; I371-E373 PolarHBondContact O-N 3.46Å; I371-L432 HydrophobicContact CB-CD2 4.4Å; I371-L432 HydrophobicContact CD1-CD2 4.24Å; I371-L432 HydrophobicContact CG1-CD2 3.98Å; I371-L432 HydrophobicContact CG2-CD2 3.67Å
372	G	37.9	Very low	41.2	Very low	71 Å²	71	71.8 Å²	71.8	73%	0.732	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	7.2	174.8	0	0	0	0	0	115.4	V368	V368-G372 PolarHBondContact O-N 3.08Å
373	E	45.3	Very low	41.8	Very low	51 Å²	51	71.5 Å²	71.5	24%	0.238	41%	0.413	C	S	.	.			trans	-119.4	148	-174.1	-68.1	-154.5	138.9	0	0	114.8	V368 I371 K433	V368-E373 WeakPolarHBondContact CG1-O 3.03Å; I371-E373 VanDerWaalsContact C-N 3.32Å; I371-E373 HydrophobicContact CG2-CB 4.46Å; I371-E373 PolarHBondContact O-N 3.46Å; E373-K433 WeakPolarHBondContact OE1-CD 3.41Å; E373-K433 IonicContact OE1-NZ 3.63Å; E373-K433 PolarHBondContact OE1-NZ 3.09Å; E373-K433 WeakPolarHBondContact OE2-CE 3.48Å; E373-K433 IonicContact OE2-NZ 3.16Å; E373-K433 PolarHBondContact OE2-NZ 3.3Å
374	S	38.5	Very low	42	Very low	78 Å²	78	73.7 Å²	73.7	55%	0.545	42%	0.417	S	S	.	.			trans	-69.4	142	-179.5	59.2	0	0	0	0	113.2	E376 S377	S374-E376 PolarHBondContact O-N 3.16Å; S374-E376 VanDerWaalsContact O-N 3.11Å; S374-S377 PolarHBondContact O-N 3.3Å; S374-S377 PolarHBondContact O-OG 3.04Å
375	T	42.3	Very low	42.9	Very low	71 Å²	71	73.7 Å²	73.7	44%	0.436	41%	0.414	S	S	.	.	H	α-helix	trans	-59.5	-20.8	-176.4	40.8	0	0	0	0	115.7	I364 V368	I364-T375 HydrophobicContact CB-CG2 4.43Å; I364-T375 HydrophobicContact CD1-CG2 4.48Å; I364-T375 HydrophobicContact CG2-CG2 3.64Å; V368-T375 HydrophobicContact CG1-CG2 4.45Å; V368-T375 HydrophobicContact CG2-CG2 3.95Å
376	E	39.4	Very low	44	Very low	156 Å²	156	74.2 Å²	74.2	73%	0.729	42%	0.417	S	S	*	.	H	α-helix	trans	-79.2	-36.3	-178.5	-70.7	177.4	166.4	0	0	111.6	S374 I378 V379	S374-E376 PolarHBondContact O-N 3.16Å; S374-E376 VanDerWaalsContact O-N 3.11Å; E376-I378 PolarHBondContact O-N 3.35Å; E376-V379 PolarHBondContact O-N 3.44Å
377	S	45.6	Very low	45.2	Very low	28 Å²	28	76.2 Å²	76.2	20%	0.196	42%	0.423	C	S	.	.	H	α-helix	trans	-73.1	-24.9	-178.8	74.6	0	0	0	0	114.5	S374 T381 K433	S374-S377 PolarHBondContact O-N 3.3Å; S374-S377 PolarHBondContact O-OG 3.04Å; S377-T381 WeakPolarHBondContact O-CB 3.42Å; S377-T381 PolarHBondContact O-N 3.08Å; S377-T381 PolarHBondContact O-OG1 3.04Å; S377-K433 PolarHBondContact OG-NZ 3.44Å; S377-K433 VanDerWaalsContact OG-NZ 3.09Å
378	I	49	Very low	46.6	Very low	37 Å²	37	76 Å²	76	19%	0.19	42%	0.42	C	S	.	.	H	α-helix	trans	-71.3	-36	179.8	-61.4	175.8	0	0	0	110.9	V368 E376 I382 L431	V368-I378 HydrophobicContact CG2-CD1 3.9Å; E376-I378 PolarHBondContact O-N 3.35Å; I378-I382 HydrophobicContact CG2-CD1 4.31Å; I378-I382 VanDerWaalsContact O-CD1 3.28Å; I378-I382 WeakPolarHBondContact O-CD1 3.4Å; I378-I382 VanDerWaalsContact O-CG1 3.28Å; I378-I382 WeakPolarHBondContact O-CG1 3.44Å; I378-L431 HydrophobicContact CG2-CD2 3.86Å
379	V	46.7	Very low	48.2	Very low	32 Å²	32	75.6 Å²	75.6	19%	0.194	42%	0.417	C	S	.	.	H	α-helix	trans	-78.1	-41.5	-175.8	-179.4	0	0	0	0	111	E376 T381 I382 E383	E376-V379 PolarHBondContact O-N 3.44Å; V379-T381 VanDerWaalsContact C-N 3.32Å; V379-T381 PolarHBondContact O-N 2.77Å; V379-I382 PolarHBondContact O-N 2.69Å; V379-E383 PolarHBondContact O-N 3.31Å
380	D	45.4	Very low	49.8	Very low	109 Å²	109	77 Å²	77	58%	0.583	42%	0.422	S	S	*	.	H	α-helix	trans	-70.3	-27.6	179.6	-67.2	-11.5	0	0	0	112.6
381	T	48.6	Very low	51.5	Low	33 Å²	33	81.2 Å²	81.2	20%	0.202	43%	0.43	C	S	.	.	H	α-helix	trans	-76	-24.6	179.1	-51.5	0	0	0	0	113.1	S377 V379 K385	S377-T381 WeakPolarHBondContact O-CB 3.42Å; S377-T381 PolarHBondContact O-N 3.08Å; S377-T381 PolarHBondContact O-OG1 3.04Å; V379-T381 VanDerWaalsContact C-N 3.32Å; V379-T381 PolarHBondContact O-N 2.77Å; T381-K385 HydrophobicContact CG2-CD 4.48Å; T381-K385 WeakPolarHBondContact O-CD 3.23Å
382	I	52.3	Low	52.6	Low	57 Å²	57	81.8 Å²	81.8	29%	0.292	43%	0.431	S	S	.	.	H	α-helix	trans	-81.7	-37.9	178.5	-63.4	166	0	0	0	110.9	I378 V379 M384 K385 L431	I378-I382 HydrophobicContact CG2-CD1 4.31Å; I378-I382 VanDerWaalsContact O-CD1 3.28Å; I378-I382 WeakPolarHBondContact O-CD1 3.4Å; I378-I382 VanDerWaalsContact O-CG1 3.28Å; I378-I382 WeakPolarHBondContact O-CG1 3.44Å; V379-I382 PolarHBondContact O-N 2.69Å; I382-M384 PolarHBondContact O-N 2.66Å; I382-K385 PolarHBondContact O-N 2.99Å; I382-L431 HydrophobicContact CD1-CD2 3.59Å; I382-L431 HydrophobicContact CG1-CD2 3.57Å
383	E	46.4	Very low	54.2	Low	65 Å²	65	78.4 Å²	78.4	30%	0.304	40%	0.397	S	S	.	.	H	α-helix	trans	-71	-26.2	-165.7	-94	178.8	175.2	0	0	116.5	R11 K15 V379	R11-E383 WeakPolarHBondContact CD-OE1 3.44Å; R11-E383 IonicContact CZ-OE1 3.19Å; R11-E383 IonicContact NE-OE1 2.98Å; R11-E383 PolarHBondContact NE-OE1 2.82Å; R11-E383 IonicContact NH1-OE1 3.62Å; R11-E383 IonicContact NH2-OE1 3.15Å; R11-E383 PolarHBondContact NH2-OE1 3.19Å; K15-E383 PolarHBondContact NZ-O 3.27Å; V379-E383 PolarHBondContact O-N 3.31Å
384	M	44.8	Very low	55.5	Low	169 Å²	169	80.4 Å²	80.4	83%	0.833	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-1	-178.6	-70.6	-166.8	71.1	0	0	114.3	I382	I382-M384 PolarHBondContact O-N 2.66Å
385	K	56.3	Low	57.1	Low	74 Å²	74	79.8 Å²	79.8	32%	0.322	40%	0.401	S	S	.	.			trans	-127.8	7.4	-154.5	-104.9	158.7	155.5	-175.4	0	115	T381 I382 E388 L389 K430	T381-K385 HydrophobicContact CG2-CD 4.48Å; T381-K385 WeakPolarHBondContact O-CD 3.23Å; I382-K385 PolarHBondContact O-N 2.99Å; K385-E388 WeakPolarHBondContact CG-OE2 3.25Å; K385-L389 WeakPolarHBondContact O-CA 3.24Å; K385-L389 WeakPolarHBondContact O-CB 3.45Å; K385-L389 PolarHBondContact O-N 3.41Å; K385-K430 VanDerWaalsContact CE-CE 3.48Å; K385-K430 VanDerWaalsContact CG-NZ 3.33Å
386	E	58.5	Low	58.6	Low	125 Å²	125	76.6 Å²	76.6	58%	0.584	38%	0.382	S	S	*	.	H	α-helix	trans	-70.8	-49.5	-176.8	-159	169.9	-164.1	0	0	112	E388 L389 E390	E386-E388 VanDerWaalsContact C-N 3.31Å; E386-E388 PolarHBondContact O-N 3.41Å; E386-L389 WeakPolarHBondContact O-CB 3.39Å; E386-L389 PolarHBondContact O-N 2.89Å; E386-L389 VanDerWaalsContact O-N 3.16Å; E386-E390 WeakPolarHBondContact O-CB 3.47Å; E386-E390 PolarHBondContact O-N 2.83Å
387	D	62	Low	60.1	Low	115 Å²	115	71 Å²	71	62%	0.615	36%	0.356	S	S	*	.	H	α-helix	trans	-64.6	-35.4	174.2	-60.1	-22	0	0	0	112.2	K391	D387-K391 WeakPolarHBondContact O-CB 3.34Å; D387-K391 VanDerWaalsContact O-CG 3.26Å; D387-K391 WeakPolarHBondContact O-CG 3.47Å; D387-K391 PolarHBondContact O-N 3.42Å
388	E	65.9	Low	61.4	Low	113 Å²	113	72.6 Å²	72.6	53%	0.528	37%	0.368	S	S	.	.	H	α-helix	trans	-70.7	-36.1	174	-68.6	-172.2	163.7	0	0	112	K385 E386 M392	K385-E388 WeakPolarHBondContact CG-OE2 3.25Å; E386-E388 VanDerWaalsContact C-N 3.31Å; E386-E388 PolarHBondContact O-N 3.41Å; E388-M392 WeakPolarHBondContact O-CB 3.44Å; E388-M392 PolarHBondContact O-N 3.34Å
389	L	68.8	Low	62.3	Low	17 Å²	17	76 Å²	76	9%	0.089	38%	0.382	C	S	.	.	H	α-helix	trans	-69	-43.5	175.9	176	72.3	0	0	0	110.1	K385 E386 M392 V393 W423 V426 I427 K430	K385-L389 WeakPolarHBondContact O-CA 3.24Å; K385-L389 WeakPolarHBondContact O-CB 3.45Å; K385-L389 PolarHBondContact O-N 3.41Å; E386-L389 WeakPolarHBondContact O-CB 3.39Å; E386-L389 PolarHBondContact O-N 2.89Å; E386-L389 VanDerWaalsContact O-N 3.16Å; L389-M392 PolarHBondContact O-N 3.4Å; L389-V393 HydrophobicContact CD1-CG2 4.11Å; L389-V393 HydrophobicContact CG-CG2 4.34Å; L389-V393 WeakPolarHBondContact O-CB 3.35Å; L389-V393 VanDerWaalsContact O-CG2 3.25Å; L389-V393 WeakPolarHBondContact O-CG2 3.26Å; L389-V393 PolarHBondContact O-N 3.39Å; L389-W423 HydrophobicContact CD2-CZ3 4.25Å; L389-W423 HydrophobicContact CG-CZ3 4.31Å; L389-V426 HydrophobicContact CD1-CG1 3.57Å; L389-I427 HydrophobicContact CD1-CG1 4.49Å; L389-I427 HydrophobicContact CD2-CD1 4.17Å; L389-I427 HydrophobicContact CD2-CG1 3.6Å; L389-K430 HydrophobicContact CD1-CD 4.24Å
390	E	69.1	Low	63.2	Low	93 Å²	93	74.7 Å²	74.7	44%	0.435	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-48.3	176	-176.1	170.2	-164.6	0	0	110.6	E386 M392 V393 L394 W423	E386-E390 WeakPolarHBondContact O-CB 3.47Å; E386-E390 PolarHBondContact O-N 2.83Å; E390-M392 VanDerWaalsContact C-N 3.32Å; E390-M392 PolarHBondContact O-N 2.99Å; E390-V393 PolarHBondContact O-N 2.98Å; E390-L394 HydrophobicContact CG-CD1 3.8Å; E390-L394 HydrophobicContact CG-CG 4.43Å; E390-L394 VanDerWaalsContact O-CB 3.25Å; E390-L394 WeakPolarHBondContact O-CB 3.23Å; E390-L394 VanDerWaalsContact O-CG 3.23Å; E390-L394 WeakPolarHBondContact O-CG 3.47Å; E390-L394 PolarHBondContact O-N 3.34Å; E390-W423 HydrophobicContact CB-CH2 3.76Å; E390-W423 HydrophobicContact CB-CZ2 4.44Å; E390-W423 HydrophobicContact CG-CH2 3.84Å; E390-W423 HydrophobicContact CG-CZ2 4.12Å
391	K	72.8	Confident	64.2	Low	145 Å²	145	75.1 Å²	75.1	63%	0.63	37%	0.373	S	S	*	.	H	α-helix	trans	-60.1	-41.8	173.4	-75.1	173.7	-176.5	174.9	0	112.5	D387 T395	D387-K391 WeakPolarHBondContact O-CB 3.34Å; D387-K391 VanDerWaalsContact O-CG 3.26Å; D387-K391 WeakPolarHBondContact O-CG 3.47Å; D387-K391 PolarHBondContact O-N 3.42Å; K391-T395 WeakPolarHBondContact O-CB 3.42Å; K391-T395 PolarHBondContact O-N 3.43Å; K391-T395 PolarHBondContact O-OG1 3.2Å
392	M	68.6	Low	65.1	Low	78 Å²	78	82.3 Å²	82.3	38%	0.384	40%	0.401	S	S	.	.	H	α-helix	trans	-61.9	-55.4	177.9	-177.6	-178.2	-67.7	0	0	109.8	E388 L389 E390 L394 T395 I396 V426	E388-M392 WeakPolarHBondContact O-CB 3.44Å; E388-M392 PolarHBondContact O-N 3.34Å; L389-M392 PolarHBondContact O-N 3.4Å; E390-M392 VanDerWaalsContact C-N 3.32Å; E390-M392 PolarHBondContact O-N 2.99Å; M392-L394 PolarHBondContact O-N 3.47Å; M392-T395 CarbonylContact O-C 3.6Å; M392-T395 WeakPolarHBondContact O-CA 3.28Å; M392-T395 VanDerWaalsContact O-CB 3.29Å; M392-T395 WeakPolarHBondContact O-CB 3.48Å; M392-T395 PolarHBondContact O-N 2.93Å; M392-I396 HydrophobicContact CG-CD1 4.47Å; M392-I396 HydrophobicContact CG-CG1 4.5Å; M392-I396 WeakPolarHBondContact O-CG1 3.5Å; M392-I396 PolarHBondContact O-N 3.41Å; M392-V426 HydrophobicContact SD-CG1 4.47Å
393	V	72.4	Confident	66	Low	0 Å²	0	82.9 Å²	82.9	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-61.7	-41	-179.6	177.6	0	0	0	0	111.6	L389 E390 T395 I396 L397 V422 W423 V426	L389-V393 HydrophobicContact CD1-CG2 4.11Å; L389-V393 HydrophobicContact CG-CG2 4.34Å; L389-V393 WeakPolarHBondContact O-CB 3.35Å; L389-V393 VanDerWaalsContact O-CG2 3.25Å; L389-V393 WeakPolarHBondContact O-CG2 3.26Å; L389-V393 PolarHBondContact O-N 3.39Å; E390-V393 PolarHBondContact O-N 2.98Å; V393-T395 VanDerWaalsContact C-N 3.28Å; V393-T395 PolarHBondContact O-N 3.5Å; V393-I396 WeakPolarHBondContact O-CB 3.45Å; V393-I396 PolarHBondContact O-N 2.89Å; V393-L397 HydrophobicContact CG1-CD1 3.73Å; V393-L397 HydrophobicContact CG1-CG 4.16Å; V393-L397 WeakPolarHBondContact O-CB 3.42Å; V393-L397 VanDerWaalsContact O-CG 3.28Å; V393-L397 WeakPolarHBondContact O-CG 3.36Å; V393-L397 PolarHBondContact O-N 3.14Å; V393-V422 HydrophobicContact CG1-CG1 4.41Å; V393-W423 HydrophobicContact CB-CD2 4.27Å; V393-W423 HydrophobicContact CB-CZ2 4.2Å; V393-W423 HydrophobicContact CG1-CD2 3.85Å; V393-W423 HydrophobicContact CG1-CG 3.86Å; V393-W423 HydrophobicContact CG1-CZ2 4.18Å; V393-W423 VanDerWaalsContact CG1-NE1 3.3Å; V393-W423 HydrophobicContact CG2-CD2 4.24Å; V393-W423 HydrophobicContact CG2-CE3 4.34Å; V393-V426 HydrophobicContact CG2-CB 4.24Å; V393-V426 HydrophobicContact CG2-CG1 4.08Å; V393-V426 HydrophobicContact CG2-CG2 4.34Å
394	L	71.5	Confident	67.3	Low	94 Å²	94	80 Å²	80	49%	0.492	39%	0.388	S	S	.	.	H	α-helix	trans	-62.4	-36	172.6	-75	167.6	0	0	0	111.9	E390 M392 S398	E390-L394 HydrophobicContact CG-CD1 3.8Å; E390-L394 HydrophobicContact CG-CG 4.43Å; E390-L394 VanDerWaalsContact O-CB 3.25Å; E390-L394 WeakPolarHBondContact O-CB 3.23Å; E390-L394 VanDerWaalsContact O-CG 3.23Å; E390-L394 WeakPolarHBondContact O-CG 3.47Å; E390-L394 PolarHBondContact O-N 3.34Å; M392-L394 PolarHBondContact O-N 3.47Å; L394-S398 VanDerWaalsContact O-CB 3.23Å; L394-S398 WeakPolarHBondContact O-CB 3.4Å; L394-S398 PolarHBondContact O-N 3.09Å; L394-S398 PolarHBondContact O-OG 2.89Å
395	T	72.8	Confident	68.7	Low	64 Å²	64	76.2 Å²	76.2	39%	0.393	37%	0.371	S	S	.	.	H	α-helix	trans	-68.2	-41.1	173.5	-55.2	0	0	0	0	111.2	K391 M392 V393 S398 K399	K391-T395 WeakPolarHBondContact O-CB 3.42Å; K391-T395 PolarHBondContact O-N 3.43Å; K391-T395 PolarHBondContact O-OG1 3.2Å; M392-T395 CarbonylContact O-C 3.6Å; M392-T395 WeakPolarHBondContact O-CA 3.28Å; M392-T395 VanDerWaalsContact O-CB 3.29Å; M392-T395 WeakPolarHBondContact O-CB 3.48Å; M392-T395 PolarHBondContact O-N 2.93Å; V393-T395 VanDerWaalsContact C-N 3.28Å; V393-T395 PolarHBondContact O-N 3.5Å; T395-S398 PolarHBondContact O-OG 3.33Å; T395-K399 HydrophobicContact CG2-CD 3.97Å; T395-K399 HydrophobicContact CG2-CG 4.34Å; T395-K399 VanDerWaalsContact O-CB 3.3Å; T395-K399 WeakPolarHBondContact O-CB 3.29Å; T395-K399 WeakPolarHBondContact O-CG 3.24Å; T395-K399 PolarHBondContact O-N 3.2Å
396	I	73	Confident	69.7	Low	5 Å²	5	80.5 Å²	80.5	3%	0.026	39%	0.39	C	S	.	.	H	α-helix	trans	-59.2	-51.7	174.5	-54.9	-157.9	0	0	0	109.8	M392 V393 G400 V422 V426 P439 A443	M392-I396 HydrophobicContact CG-CD1 4.47Å; M392-I396 HydrophobicContact CG-CG1 4.5Å; M392-I396 WeakPolarHBondContact O-CG1 3.5Å; M392-I396 PolarHBondContact O-N 3.41Å; V393-I396 WeakPolarHBondContact O-CB 3.45Å; V393-I396 PolarHBondContact O-N 2.89Å; I396-G400 WeakPolarHBondContact O-CA 3.19Å; I396-G400 PolarHBondContact O-N 2.89Å; I396-V422 HydrophobicContact CG2-CG1 4.44Å; I396-V426 HydrophobicContact CD1-CG2 4.03Å; I396-P439 HydrophobicContact CB-CB 4.24Å; I396-P439 HydrophobicContact CD1-CB 3.47Å; I396-P439 VanDerWaalsContact CD1-CB 3.47Å; I396-P439 HydrophobicContact CG1-CB 3.45Å; I396-P439 VanDerWaalsContact CG1-CB 3.45Å; I396-P439 HydrophobicContact CG2-CB 4.28Å; I396-P439 WeakPolarHBondContact CG2-O 3.39Å; I396-A443 HydrophobicContact CG2-CB 3.9Å
397	L	72.6	Confident	70.6	Confident	37 Å²	37	75.8 Å²	75.8	19%	0.194	37%	0.367	C	S	.	.	H	α-helix	trans	-67.6	-43.1	-176	-68.9	170.5	0	0	0	111.3	V393 G400 E401 I419 V422	V393-L397 HydrophobicContact CG1-CD1 3.73Å; V393-L397 HydrophobicContact CG1-CG 4.16Å; V393-L397 WeakPolarHBondContact O-CB 3.42Å; V393-L397 VanDerWaalsContact O-CG 3.28Å; V393-L397 WeakPolarHBondContact O-CG 3.36Å; V393-L397 PolarHBondContact O-N 3.14Å; L397-G400 PolarHBondContact O-N 3.37Å; L397-E401 WeakPolarHBondContact O-CA 3.48Å; L397-E401 WeakPolarHBondContact O-CB 3.42Å; L397-E401 PolarHBondContact O-N 3.26Å; L397-I419 HydrophobicContact CD1-CG1 4.28Å; L397-I419 HydrophobicContact CD1-CG2 3.85Å; L397-I419 HydrophobicContact CD2-CG1 4.13Å; L397-V422 HydrophobicContact CD2-CB 4.45Å; L397-V422 HydrophobicContact CD2-CG1 4.32Å; L397-V422 HydrophobicContact CD2-CG2 4.48Å
398	S	71.1	Confident	71.2	Confident	63 Å²	63	72 Å²	72	44%	0.441	35%	0.346	S	S	.	.	H	α-helix	trans	-71.5	-34.7	-179.8	56.9	0	0	0	0	114.1	L394 T395	L394-S398 VanDerWaalsContact O-CB 3.23Å; L394-S398 WeakPolarHBondContact O-CB 3.4Å; L394-S398 PolarHBondContact O-N 3.09Å; L394-S398 PolarHBondContact O-OG 2.89Å; T395-S398 PolarHBondContact O-OG 3.33Å
399	K	69.3	Low	71.4	Confident	109 Å²	109	70.9 Å²	70.9	47%	0.474	34%	0.343	S	S	.	.	H	α-helix	trans	-72.9	-43.4	172.1	-71.6	-176.5	176.6	-173.1	0	111.2	T395 E440	T395-K399 HydrophobicContact CG2-CD 3.97Å; T395-K399 HydrophobicContact CG2-CG 4.34Å; T395-K399 VanDerWaalsContact O-CB 3.3Å; T395-K399 WeakPolarHBondContact O-CB 3.29Å; T395-K399 WeakPolarHBondContact O-CG 3.24Å; T395-K399 PolarHBondContact O-N 3.2Å; K399-E440 HydrophobicContact CB-CG 4.48Å
400	G	65.1	Low	71.6	Confident	3 Å²	3	77.3 Å²	77.3	3%	0.031	38%	0.378	C	S	.	.	H	α-helix	trans	-65.1	-37	177	0	0	0	0	0	112.8	I396 L397 K402 K403 L404	I396-G400 WeakPolarHBondContact O-CA 3.19Å; I396-G400 PolarHBondContact O-N 2.89Å; L397-G400 PolarHBondContact O-N 3.37Å; G400-K402 VanDerWaalsContact C-N 3.29Å; G400-K402 PolarHBondContact O-N 3.35Å; G400-K403 PolarHBondContact O-N 3.31Å; G400-L404 VanDerWaalsContact O-CB 3.22Å; G400-L404 WeakPolarHBondContact O-CB 3.41Å; G400-L404 WeakPolarHBondContact O-CG 3.46Å; G400-L404 PolarHBondContact O-N 3.15Å
401	E	67.2	Low	72	Confident	119 Å²	119	76.1 Å²	76.1	56%	0.556	37%	0.374	S	S	*	.	H	α-helix	trans	-55.1	-42.4	-176.6	179.2	179	-172.8	0	0	111.9	L397 K403 N405	L397-E401 WeakPolarHBondContact O-CA 3.48Å; L397-E401 WeakPolarHBondContact O-CB 3.42Å; L397-E401 PolarHBondContact O-N 3.26Å; E401-K403 VanDerWaalsContact C-N 3.3Å; E401-K403 PolarHBondContact O-N 3.34Å; E401-N405 WeakPolarHBondContact O-CB 3.46Å; E401-N405 PolarHBondContact O-N 3.32Å; E401-N405 VanDerWaalsContact O-N 3.12Å
402	K	67.4	Low	72.1	Confident	184 Å²	184	72.8 Å²	72.8	80%	0.8	37%	0.373	S	S	*	.	H	α-helix	trans	-66.7	-30.5	178.9	-68.3	-175.2	179.6	179.8	0	113.6	G400	G400-K402 VanDerWaalsContact C-N 3.29Å; G400-K402 PolarHBondContact O-N 3.35Å
403	K	71	Confident	72.4	Confident	68 Å²	68	72.1 Å²	72.1	30%	0.296	37%	0.371	S	S	.	.	H	α-helix	trans	-94.4	-44.1	-175.7	-66.3	-179.1	166.8	-168	0	112.1	G400 E401 E440 E524 F525	G400-K403 PolarHBondContact O-N 3.31Å; E401-K403 VanDerWaalsContact C-N 3.3Å; E401-K403 PolarHBondContact O-N 3.34Å; K403-E440 IonicContact NZ-OE2 3.39Å; K403-E440 PolarHBondContact NZ-OE2 3.39Å; K403-E524 VanDerWaalsContact CD-OE2 3.29Å; K403-E524 WeakPolarHBondContact CD-OE2 3.39Å; K403-E524 VanDerWaalsContact CE-OE2 3.25Å; K403-E524 WeakPolarHBondContact CE-OE2 3.49Å; K403-E524 IonicContact NZ-OE2 2.77Å; K403-E524 PolarHBondContact NZ-OE2 3.4Å; K403-F525 HydrophobicContact CB-CZ 4.34Å
404	L	73.9	Confident	72.6	Confident	6 Å²	6	73.1 Å²	73.1	3%	0.031	38%	0.378	C	S	.	.	H	α-helix	trans	-79.5	-16.7	-177.3	-65.5	168.1	0	0	0	113.4	G400 K406 Y407 M408 A443 A444 V447 F525	G400-L404 VanDerWaalsContact O-CB 3.22Å; G400-L404 WeakPolarHBondContact O-CB 3.41Å; G400-L404 WeakPolarHBondContact O-CG 3.46Å; G400-L404 PolarHBondContact O-N 3.15Å; L404-K406 PolarHBondContact O-N 3.35Å; L404-K406 VanDerWaalsContact O-N 3.09Å; L404-Y407 PolarHBondContact O-N 3Å; L404-M408 HydrophobicContact CB-CG 4.36Å; L404-M408 HydrophobicContact CB-SD 4.35Å; L404-M408 WeakPolarHBondContact O-CG 3.47Å; L404-M408 PolarHBondContact O-N 2.84Å; L404-A443 HydrophobicContact CD1-CB 3.44Å; L404-A443 VanDerWaalsContact CD1-CB 3.44Å; L404-A444 HydrophobicContact CD2-CB 3.96Å; L404-V447 HydrophobicContact CD1-CG2 4.44Å; L404-V447 HydrophobicContact CD2-CG2 4.4Å; L404-F525 HydrophobicContact CD2-CE1 4.22Å; L404-F525 HydrophobicContact CD2-CE2 4.4Å; L404-F525 HydrophobicContact CD2-CZ 3.74Å; L404-F525 HydrophobicContact CG-CZ 4.35Å
405	N	73.9	Confident	73.1	Confident	89 Å²	89	71.5 Å²	71.5	48%	0.476	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-32.4	179	-126.2	-7.4	0	0	0	113.1	E401 Y407	E401-N405 WeakPolarHBondContact O-CB 3.46Å; E401-N405 PolarHBondContact O-N 3.32Å; E401-N405 VanDerWaalsContact O-N 3.12Å; N405-Y407 PolarHBondContact O-N 2.76Å
406	K	77.6	Confident	73.4	Confident	163 Å²	163	74.4 Å²	74.4	71%	0.709	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-26.6	178.1	-62.4	177.8	-175.2	169.4	0	113	L404	L404-K406 PolarHBondContact O-N 3.35Å; L404-K406 VanDerWaalsContact O-N 3.09Å
407	Y	76.2	Confident	73.8	Confident	26 Å²	26	75.3 Å²	75.3	10%	0.102	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-23.4	-175	-55.8	-69.4	0	0	0	111.4	L404 N405 Q451 V515 A518 L519 D522 F525	L404-Y407 PolarHBondContact O-N 3Å; N405-Y407 PolarHBondContact O-N 2.76Å; Y407-Q451 PolarHBondContact O-NE2 3.41Å; Y407-Q451 PolarHBondContact O-OE1 2.93Å; Y407-V515 HydrophobicContact CD1-CG1 3.73Å; Y407-V515 HydrophobicContact CE1-CG1 4.49Å; Y407-A518 HydrophobicContact CE1-CB 4.13Å; Y407-L519 HydrophobicContact CD1-CB 3.86Å; Y407-L519 HydrophobicContact CD1-CD1 4.17Å; Y407-L519 HydrophobicContact CD2-CD1 3.77Å; Y407-L519 HydrophobicContact CE1-CB 3.85Å; Y407-L519 HydrophobicContact CE1-CD1 4.29Å; Y407-L519 HydrophobicContact CE2-CD1 3.88Å; Y407-L519 HydrophobicContact CG-CB 4.42Å; Y407-L519 HydrophobicContact CG-CD1 3.92Å; Y407-D522 PolarHBondContact OH-OD2 3.26Å; Y407-F525 HydrophobicContact CE2-CE2 4.14Å
408	M	74.5	Confident	74.2	Confident	37 Å²	37	74 Å²	74	18%	0.182	37%	0.372	C	S	.	.	S	Bend	trans	-71.9	148.2	179.7	-70.3	-170.9	73.1	0	0	113.2	L404 M415 T418 V447	L404-M408 HydrophobicContact CB-CG 4.36Å; L404-M408 HydrophobicContact CB-SD 4.35Å; L404-M408 WeakPolarHBondContact O-CG 3.47Å; L404-M408 PolarHBondContact O-N 2.84Å; M408-M415 HydrophobicContact CE-CB 4.4Å; M408-M415 HydrophobicContact CE-CG 4.11Å; M408-T418 HydrophobicContact CE-CG2 3.83Å; M408-V447 HydrophobicContact CG-CG2 4.26Å
409	L	71.4	Confident	74.7	Confident	89 Å²	89	74.4 Å²	74.4	47%	0.466	37%	0.369	S	S	.	.			trans	-81.2	142.5	173.4	-68.2	172.1	0	0	0	109.9	D411 M415 Q451	L409-D411 PolarHBondContact O-N 3.12Å; L409-M415 WeakPolarHBondContact O-CE 3.06Å; L409-Q451 VanDerWaalsContact N-NE2 3.14Å
410	D	73.3	Confident	75.4	Confident	152 Å²	152	70.9 Å²	70.9	81%	0.813	36%	0.358	S	S	*	.	S	Bend	trans	-70.4	13.1	-178.6	-67.3	-31.6	0	0	0	115
411	D	76.1	Confident	76.2	Confident	68 Å²	68	70.8 Å²	70.8	36%	0.364	36%	0.357	S	S	.	.			trans	-94.8	126	-179.2	166.9	39.3	0	0	0	111.9	L409 I413 S414 M415	L409-D411 PolarHBondContact O-N 3.12Å; D411-I413 VanDerWaalsContact C-N 3.26Å; D411-I413 PolarHBondContact O-N 3.34Å; D411-I413 PolarHBondContact OD1-N 3.06Å; D411-I413 VanDerWaalsContact OD1-N 3.12Å; D411-S414 WeakPolarHBondContact O-CB 3.29Å; D411-S414 PolarHBondContact O-N 3.36Å; D411-S414 VanDerWaalsContact O-N 3.13Å; D411-S414 WeakPolarHBondContact OD2-CB 3.48Å; D411-S414 PolarHBondContact OD2-N 3.44Å; D411-S414 PolarHBondContact OD2-OG 3.41Å; D411-M415 WeakPolarHBondContact O-CG 3.18Å; D411-M415 PolarHBondContact O-N 3.34Å
412	A	75.4	Confident	77	Confident	74 Å²	74	65.2 Å²	65.2	61%	0.612	33%	0.331	S	S	*	.	H	α-helix	trans	-58.8	-34.9	179.7	0	0	0	0	0	113	K416	A412-K416 VanDerWaalsContact O-CB 3.26Å; A412-K416 WeakPolarHBondContact O-CB 3.4Å; A412-K416 PolarHBondContact O-N 2.93Å
413	I	75.1	Confident	77.6	Confident	64 Å²	64	59.7 Å²	59.7	33%	0.328	31%	0.305	S	S	.	.	H	α-helix	trans	-69.1	-45	177.9	-60.2	174.7	0	0	0	109.6	R317 D411 K416 R417	R317-I413 HydrophobicContact CG-CD1 4.01Å; D411-I413 VanDerWaalsContact C-N 3.26Å; D411-I413 PolarHBondContact O-N 3.34Å; D411-I413 PolarHBondContact OD1-N 3.06Å; D411-I413 VanDerWaalsContact OD1-N 3.12Å; I413-K416 PolarHBondContact O-N 3.01Å; I413-R417 WeakPolarHBondContact O-CB 3.24Å; I413-R417 PolarHBondContact O-N 2.99Å
414	S	76.4	Confident	78.1	Confident	21 Å²	21	58.5 Å²	58.5	15%	0.147	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-42.2	176.2	-65	0	0	0	0	112.6	D411 R417 T418	D411-S414 WeakPolarHBondContact O-CB 3.29Å; D411-S414 PolarHBondContact O-N 3.36Å; D411-S414 VanDerWaalsContact O-N 3.13Å; D411-S414 WeakPolarHBondContact OD2-CB 3.48Å; D411-S414 PolarHBondContact OD2-N 3.44Å; D411-S414 PolarHBondContact OD2-OG 3.41Å; S414-R417 PolarHBondContact O-N 2.84Å; S414-T418 PolarHBondContact O-N 2.93Å; S414-T418 PolarHBondContact O-OG1 3.22Å
415	M	81.1	Confident	78.4	Confident	61 Å²	61	58.2 Å²	58.2	30%	0.3	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-47.1	174.1	-68.4	-176.4	-174.3	0	0	111.6	M408 L409 D411 R417 T418 I419	M408-M415 HydrophobicContact CE-CB 4.4Å; M408-M415 HydrophobicContact CE-CG 4.11Å; L409-M415 WeakPolarHBondContact O-CE 3.06Å; D411-M415 WeakPolarHBondContact O-CG 3.18Å; D411-M415 PolarHBondContact O-N 3.34Å; M415-R417 VanDerWaalsContact C-N 3.29Å; M415-R417 PolarHBondContact O-N 3.01Å; M415-T418 PolarHBondContact O-N 3.26Å; M415-T418 VanDerWaalsContact O-N 3.14Å; M415-I419 WeakPolarHBondContact O-CG1 3.49Å; M415-I419 PolarHBondContact O-N 3.35Å
416	K	79.6	Confident	78.6	Confident	124 Å²	124	54 Å²	54	54%	0.539	28%	0.279	S	S	.	.	H	α-helix	trans	-59.8	-39.8	177.3	-174.6	176.7	-175.7	174.9	0	111.8	A412 I413 S420	A412-K416 VanDerWaalsContact O-CB 3.26Å; A412-K416 WeakPolarHBondContact O-CB 3.4Å; A412-K416 PolarHBondContact O-N 2.93Å; I413-K416 PolarHBondContact O-N 3.01Å; K416-S420 VanDerWaalsContact O-CB 3.3Å; K416-S420 WeakPolarHBondContact O-CB 3.42Å; K416-S420 PolarHBondContact O-N 2.95Å; K416-S420 PolarHBondContact O-OG 3.32Å
417	R	80.9	Confident	78.5	Confident	24 Å²	24	49.1 Å²	49.1	9%	0.091	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-46.4	174.2	179.5	171.7	66.8	135.7	7.6	111.2	T320 I413 S414 M415 S420 S421 N450	T320-R417 WeakPolarHBondContact O-CA 3.28Å; T320-R417 WeakPolarHBondContact O-CG 3.12Å; I413-R417 WeakPolarHBondContact O-CB 3.24Å; I413-R417 PolarHBondContact O-N 2.99Å; S414-R417 PolarHBondContact O-N 2.84Å; M415-R417 VanDerWaalsContact C-N 3.29Å; M415-R417 PolarHBondContact O-N 3.01Å; R417-S420 PolarHBondContact O-N 2.89Å; R417-S421 WeakPolarHBondContact O-CB 3.26Å; R417-S421 PolarHBondContact O-N 3.39Å; R417-S421 PolarHBondContact O-OG 3.48Å; R417-S421 VanDerWaalsContact O-OG 3.13Å; R417-N450 PolarHBondContact NH2-O 2.98Å
418	T	81.3	Confident	78.5	Confident	10 Å²	10	50.4 Å²	50.4	6%	0.061	27%	0.268	C	S	.	.	H	α-helix	trans	-61.4	-47.9	177	-61.6	0	0	0	0	112.4	M408 S414 M415 S420 S421 V422 V446 V447 N450	M408-T418 HydrophobicContact CE-CG2 3.83Å; S414-T418 PolarHBondContact O-N 2.93Å; S414-T418 PolarHBondContact O-OG1 3.22Å; M415-T418 PolarHBondContact O-N 3.26Å; M415-T418 VanDerWaalsContact O-N 3.14Å; T418-S420 VanDerWaalsContact C-N 3.32Å; T418-S420 PolarHBondContact O-N 3.22Å; T418-S421 PolarHBondContact O-N 3.09Å; T418-V422 HydrophobicContact CG2-CG2 4.5Å; T418-V422 WeakPolarHBondContact O-CG2 3.41Å; T418-V422 PolarHBondContact O-N 3.44Å; T418-V446 HydrophobicContact CG2-CG1 4.38Å; T418-V447 HydrophobicContact CG2-CG2 3.77Å; T418-N450 VanDerWaalsContact CA-ND2 3.29Å; T418-N450 WeakPolarHBondContact CA-ND2 3.44Å; T418-N450 PolarHBondContact OG1-ND2 3.23Å; T418-N450 VanDerWaalsContact OG1-ND2 3.07Å
419	I	82.3	Confident	78.5	Confident	71 Å²	71	48.9 Å²	48.9	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-56.7	-49.5	175.3	-68.4	166.3	0	0	0	110.1	L397 M415 S421 V422 W423	L397-I419 HydrophobicContact CD1-CG1 4.28Å; L397-I419 HydrophobicContact CD1-CG2 3.85Å; L397-I419 HydrophobicContact CD2-CG1 4.13Å; M415-I419 WeakPolarHBondContact O-CG1 3.49Å; M415-I419 PolarHBondContact O-N 3.35Å; I419-S421 VanDerWaalsContact C-N 3.34Å; I419-S421 PolarHBondContact O-N 3.37Å; I419-V422 PolarHBondContact O-N 3.17Å; I419-W423 VanDerWaalsContact O-CD1 3.26Å; I419-W423 PolarHBondContact O-N 2.98Å
420	S	82.9	Confident	78.6	Confident	36 Å²	36	45.8 Å²	45.8	25%	0.252	24%	0.244	S	C	.	.	H	α-helix	trans	-60.6	-42.3	179.7	-57.6	0	0	0	0	112	K416 R417 T418 W423 V424	K416-S420 VanDerWaalsContact O-CB 3.3Å; K416-S420 WeakPolarHBondContact O-CB 3.42Å; K416-S420 PolarHBondContact O-N 2.95Å; K416-S420 PolarHBondContact O-OG 3.32Å; R417-S420 PolarHBondContact O-N 2.89Å; T418-S420 VanDerWaalsContact C-N 3.32Å; T418-S420 PolarHBondContact O-N 3.22Å; S420-W423 WeakPolarHBondContact O-CB 2.95Å; S420-W423 PolarHBondContact O-N 3.15Å; S420-V424 WeakPolarHBondContact O-CG2 3.46Å; S420-V424 PolarHBondContact O-N 3.44Å; S420-V424 VanDerWaalsContact O-N 3.09Å
421	S	83.1	Confident	78.4	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.007	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-43.1	176.7	-69	0	0	0	0	112.1	R417 T418 I419 W423 V424 T425 V446	R417-S421 WeakPolarHBondContact O-CB 3.26Å; R417-S421 PolarHBondContact O-N 3.39Å; R417-S421 PolarHBondContact O-OG 3.48Å; R417-S421 VanDerWaalsContact O-OG 3.13Å; T418-S421 PolarHBondContact O-N 3.09Å; I419-S421 VanDerWaalsContact C-N 3.34Å; I419-S421 PolarHBondContact O-N 3.37Å; S421-W423 VanDerWaalsContact C-N 3.34Å; S421-W423 PolarHBondContact O-N 3.25Å; S421-V424 PolarHBondContact O-N 3.48Å; S421-T425 WeakPolarHBondContact O-CB 3.36Å; S421-T425 PolarHBondContact O-N 2.65Å; S421-T425 PolarHBondContact O-OG1 2.85Å; S421-V446 VanDerWaalsContact CB-CG1 3.47Å
422	V	82.9	Confident	78	Confident	1 Å²	1	39 Å²	39	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-59.3	-47.1	175.5	171.4	0	0	0	0	110.2	V393 I396 L397 T418 I419 V424 T425 V426 A443 V446	V393-V422 HydrophobicContact CG1-CG1 4.41Å; I396-V422 HydrophobicContact CG2-CG1 4.44Å; L397-V422 HydrophobicContact CD2-CB 4.45Å; L397-V422 HydrophobicContact CD2-CG1 4.32Å; L397-V422 HydrophobicContact CD2-CG2 4.48Å; T418-V422 HydrophobicContact CG2-CG2 4.5Å; T418-V422 WeakPolarHBondContact O-CG2 3.41Å; T418-V422 PolarHBondContact O-N 3.44Å; I419-V422 PolarHBondContact O-N 3.17Å; V422-V424 PolarHBondContact O-N 3.09Å; V422-T425 PolarHBondContact O-N 3.38Å; V422-V426 HydrophobicContact CG1-CG2 4.18Å; V422-V426 WeakPolarHBondContact O-CB 3.44Å; V422-V426 WeakPolarHBondContact O-CG2 3.48Å; V422-V426 PolarHBondContact O-N 3.09Å; V422-A443 HydrophobicContact CG2-CB 4.41Å; V422-V446 HydrophobicContact CG2-CB 3.86Å; V422-V446 HydrophobicContact CG2-CG1 3.79Å; V422-V446 HydrophobicContact CG2-CG2 4.08Å
423	W	81.4	Confident	77.4	Confident	69 Å²	69	40.3 Å²	40.3	26%	0.261	20%	0.199	S	C	.	.	H	α-helix	trans	-54.1	-52.5	176.6	-92.9	91.2	0	0	0	112.1	L389 E390 V393 I419 S420 S421 V426 I427	L389-W423 HydrophobicContact CD2-CZ3 4.25Å; L389-W423 HydrophobicContact CG-CZ3 4.31Å; E390-W423 HydrophobicContact CB-CH2 3.76Å; E390-W423 HydrophobicContact CB-CZ2 4.44Å; E390-W423 HydrophobicContact CG-CH2 3.84Å; E390-W423 HydrophobicContact CG-CZ2 4.12Å; V393-W423 HydrophobicContact CB-CD2 4.27Å; V393-W423 HydrophobicContact CB-CZ2 4.2Å; V393-W423 HydrophobicContact CG1-CD2 3.85Å; V393-W423 HydrophobicContact CG1-CG 3.86Å; V393-W423 HydrophobicContact CG1-CZ2 4.18Å; V393-W423 VanDerWaalsContact CG1-NE1 3.3Å; V393-W423 HydrophobicContact CG2-CD2 4.24Å; V393-W423 HydrophobicContact CG2-CE3 4.34Å; I419-W423 VanDerWaalsContact O-CD1 3.26Å; I419-W423 PolarHBondContact O-N 2.98Å; S420-W423 WeakPolarHBondContact O-CB 2.95Å; S420-W423 PolarHBondContact O-N 3.15Å; S421-W423 VanDerWaalsContact C-N 3.34Å; S421-W423 PolarHBondContact O-N 3.25Å; W423-V426 PolarHBondContact O-N 3.15Å; W423-I427 HydrophobicContact CE3-CD1 4.47Å; W423-I427 WeakPolarHBondContact O-CD1 3.42Å; W423-I427 VanDerWaalsContact O-CG1 3.24Å; W423-I427 WeakPolarHBondContact O-CG1 3.19Å; W423-I427 PolarHBondContact O-N 2.84Å; W423-I427 VanDerWaalsContact O-N 3.08Å
424	V	80.7	Confident	76.9	Confident	42 Å²	42	40.9 Å²	40.9	26%	0.255	20%	0.199	S	C	.	.	H	α-helix	trans	-69.8	-37.6	-177.4	-171.7	0	0	0	0	111.7	L321 S420 S421 V422 I427 I428 V540	L321-V424 HydrophobicContact CD1-CG2 4.4Å; L321-V424 HydrophobicContact CD2-CG2 3.69Å; S420-V424 WeakPolarHBondContact O-CG2 3.46Å; S420-V424 PolarHBondContact O-N 3.44Å; S420-V424 VanDerWaalsContact O-N 3.09Å; S421-V424 PolarHBondContact O-N 3.48Å; V422-V424 PolarHBondContact O-N 3.09Å; V424-I427 WeakPolarHBondContact O-CB 3.48Å; V424-I427 PolarHBondContact O-N 3.26Å; V424-I428 HydrophobicContact CG1-CD1 4.04Å; V424-I428 HydrophobicContact CG1-CG1 4.34Å; V424-I428 WeakPolarHBondContact O-CG1 3.48Å; V424-I428 PolarHBondContact O-N 2.93Å; V424-V540 HydrophobicContact CB-CG2 4.05Å; V424-V540 HydrophobicContact CG1-CG1 4.29Å; V424-V540 HydrophobicContact CG1-CG2 3.65Å
425	T	79.9	Confident	76.1	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-44.2	176.7	-72.3	0	0	0	0	111.9	S421 V422 I427 I428 M429 T442 V446 M539	S421-T425 WeakPolarHBondContact O-CB 3.36Å; S421-T425 PolarHBondContact O-N 2.65Å; S421-T425 PolarHBondContact O-OG1 2.85Å; V422-T425 PolarHBondContact O-N 3.38Å; T425-I427 VanDerWaalsContact C-N 3.33Å; T425-I427 PolarHBondContact O-N 3.41Å; T425-I428 PolarHBondContact O-N 2.84Å; T425-M429 HydrophobicContact CG2-CE 3.53Å; T425-M429 HydrophobicContact CG2-CG 4.45Å; T425-M429 HydrophobicContact CG2-SD 3.93Å; T425-M429 WeakPolarHBondContact O-CB 3.47Å; T425-M429 VanDerWaalsContact O-CG 3.31Å; T425-M429 WeakPolarHBondContact O-CG 3.29Å; T425-M429 PolarHBondContact O-N 3.11Å; T425-T442 HydrophobicContact CG2-CG2 4.38Å; T425-V446 HydrophobicContact CG2-CG2 4.26Å; T425-M539 HydrophobicContact CG2-CG 4.26Å
426	V	78.6	Confident	74.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-41.9	175.9	175.8	0	0	0	0	110.6	L389 M392 V393 I396 V422 W423 M429 K430 F436 T442	L389-V426 HydrophobicContact CD1-CG1 3.57Å; M392-V426 HydrophobicContact SD-CG1 4.47Å; V393-V426 HydrophobicContact CG2-CB 4.24Å; V393-V426 HydrophobicContact CG2-CG1 4.08Å; V393-V426 HydrophobicContact CG2-CG2 4.34Å; I396-V426 HydrophobicContact CD1-CG2 4.03Å; V422-V426 HydrophobicContact CG1-CG2 4.18Å; V422-V426 WeakPolarHBondContact O-CB 3.44Å; V422-V426 WeakPolarHBondContact O-CG2 3.48Å; V422-V426 PolarHBondContact O-N 3.09Å; W423-V426 PolarHBondContact O-N 3.15Å; V426-M429 PolarHBondContact O-N 3.02Å; V426-K430 WeakPolarHBondContact O-CB 3.06Å; V426-K430 PolarHBondContact O-N 3.08Å; V426-F436 HydrophobicContact CG1-CE1 4.11Å; V426-F436 HydrophobicContact CG1-CZ 4.47Å; V426-T442 HydrophobicContact CG2-CG2 4.15Å
427	I	76.1	Confident	74	Confident	61 Å²	61	44.4 Å²	44.4	31%	0.313	22%	0.215	S	C	.	.	H	α-helix	trans	-58.5	-50.1	175	-70.9	164.7	0	0	0	110.6	L389 W423 V424 T425 M429 K430 L431	L389-I427 HydrophobicContact CD1-CG1 4.49Å; L389-I427 HydrophobicContact CD2-CD1 4.17Å; L389-I427 HydrophobicContact CD2-CG1 3.6Å; W423-I427 HydrophobicContact CE3-CD1 4.47Å; W423-I427 WeakPolarHBondContact O-CD1 3.42Å; W423-I427 VanDerWaalsContact O-CG1 3.24Å; W423-I427 WeakPolarHBondContact O-CG1 3.19Å; W423-I427 PolarHBondContact O-N 2.84Å; W423-I427 VanDerWaalsContact O-N 3.08Å; V424-I427 WeakPolarHBondContact O-CB 3.48Å; V424-I427 PolarHBondContact O-N 3.26Å; T425-I427 VanDerWaalsContact C-N 3.33Å; T425-I427 PolarHBondContact O-N 3.41Å; I427-M429 PolarHBondContact O-N 3.41Å; I427-K430 WeakPolarHBondContact O-CB 3.46Å; I427-K430 PolarHBondContact O-N 3.29Å; I427-L431 HydrophobicContact CG2-CD1 3.89Å; I427-L431 HydrophobicContact CG2-CG 4.47Å; I427-L431 VanDerWaalsContact O-CG 3.23Å; I427-L431 WeakPolarHBondContact O-CG 3.33Å; I427-L431 PolarHBondContact O-N 2.98Å
428	I	76.4	Confident	73.3	Confident	52 Å²	52	48.8 Å²	48.8	27%	0.267	24%	0.24	S	C	.	.	H	α-helix	trans	-63.8	-44.1	-178.8	-68.7	176.9	0	0	0	111	V424 T425 K430 L431 L432 V540	V424-I428 HydrophobicContact CG1-CD1 4.04Å; V424-I428 HydrophobicContact CG1-CG1 4.34Å; V424-I428 WeakPolarHBondContact O-CG1 3.48Å; V424-I428 PolarHBondContact O-N 2.93Å; T425-I428 PolarHBondContact O-N 2.84Å; I428-K430 VanDerWaalsContact C-N 3.29Å; I428-K430 PolarHBondContact O-N 3.44Å; I428-L431 WeakPolarHBondContact O-CB 3.49Å; I428-L431 PolarHBondContact O-N 3.06Å; I428-L431 VanDerWaalsContact O-N 3.13Å; I428-L432 HydrophobicContact CG2-CD1 3.75Å; I428-L432 HydrophobicContact CG2-CG 4.2Å; I428-L432 VanDerWaalsContact O-CG 3.26Å; I428-L432 WeakPolarHBondContact O-CG 3.34Å; I428-L432 PolarHBondContact O-N 3.42Å; I428-V540 HydrophobicContact CD1-CG2 3.36Å
429	M	74.1	Confident	72.5	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.025	25%	0.251	C	S	.	.	H	α-helix	trans	-60.3	-40.6	177.6	-73.2	177.5	176	0	0	112.3	T425 V426 I427 L431 L432 K433 F436 T442 F535	T425-M429 HydrophobicContact CG2-CE 3.53Å; T425-M429 HydrophobicContact CG2-CG 4.45Å; T425-M429 HydrophobicContact CG2-SD 3.93Å; T425-M429 WeakPolarHBondContact O-CB 3.47Å; T425-M429 VanDerWaalsContact O-CG 3.31Å; T425-M429 WeakPolarHBondContact O-CG 3.29Å; T425-M429 PolarHBondContact O-N 3.11Å; V426-M429 PolarHBondContact O-N 3.02Å; I427-M429 PolarHBondContact O-N 3.41Å; M429-L431 VanDerWaalsContact C-N 3.31Å; M429-L431 PolarHBondContact O-N 2.79Å; M429-L432 PolarHBondContact O-N 2.79Å; M429-K433 PolarHBondContact O-N 3.26Å; M429-F436 HydrophobicContact CB-CD1 4.43Å; M429-F436 HydrophobicContact CB-CE1 3.69Å; M429-F436 HydrophobicContact CB-CZ 3.84Å; M429-F436 HydrophobicContact SD-CE1 4.49Å; M429-T442 HydrophobicContact SD-CG2 4.44Å; M429-F535 HydrophobicContact CE-CD1 3.11Å; M429-F535 HydrophobicContact CE-CE1 3.19Å; M429-F535 HydrophobicContact CE-CG 4.01Å; M429-F535 HydrophobicContact CE-CZ 4.16Å; M429-F535 HydrophobicContact SD-CE1 4.15Å
430	K	72.3	Confident	71.8	Confident	24 Å²	24	49.3 Å²	49.3	10%	0.104	24%	0.244	C	C	.	.	H	α-helix	trans	-63	-39.4	175.8	-158.2	167.3	-176.9	171.1	0	111.9	K385 L389 V426 I427 I428 L432 K433 F436	K385-K430 VanDerWaalsContact CE-CE 3.48Å; K385-K430 VanDerWaalsContact CG-NZ 3.33Å; L389-K430 HydrophobicContact CD1-CD 4.24Å; V426-K430 WeakPolarHBondContact O-CB 3.06Å; V426-K430 PolarHBondContact O-N 3.08Å; I427-K430 WeakPolarHBondContact O-CB 3.46Å; I427-K430 PolarHBondContact O-N 3.29Å; I428-K430 VanDerWaalsContact C-N 3.29Å; I428-K430 PolarHBondContact O-N 3.44Å; K430-L432 VanDerWaalsContact C-N 3.33Å; K430-K433 PolarHBondContact O-N 2.98Å; K430-F436 HydrophobicContact CB-CE2 4.29Å; K430-F436 HydrophobicContact CB-CZ 3.86Å; K430-F436 HydrophobicContact CG-CE2 4.46Å; K430-F436 HydrophobicContact CG-CZ 4.38Å
431	L	69.4	Low	71.5	Confident	48 Å²	48	48 Å²	48	25%	0.251	23%	0.234	S	C	.	.	H	α-helix	trans	-69.1	-32.1	176.3	-67	169.4	0	0	0	112.5	I378 I382 I427 I428 M429 K433	I378-L431 HydrophobicContact CG2-CD2 3.86Å; I382-L431 HydrophobicContact CD1-CD2 3.59Å; I382-L431 HydrophobicContact CG1-CD2 3.57Å; I427-L431 HydrophobicContact CG2-CD1 3.89Å; I427-L431 HydrophobicContact CG2-CG 4.47Å; I427-L431 VanDerWaalsContact O-CG 3.23Å; I427-L431 WeakPolarHBondContact O-CG 3.33Å; I427-L431 PolarHBondContact O-N 2.98Å; I428-L431 WeakPolarHBondContact O-CB 3.49Å; I428-L431 PolarHBondContact O-N 3.06Å; I428-L431 VanDerWaalsContact O-N 3.13Å; M429-L431 VanDerWaalsContact C-N 3.31Å; M429-L431 PolarHBondContact O-N 2.79Å; L431-K433 PolarHBondContact O-N 3.37Å
432	L	67.3	Low	71.3	Confident	31 Å²	31	47.9 Å²	47.9	16%	0.162	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-3.1	178	-66.6	174.2	0	0	0	113.3	I371 I428 M429 K430 K434 V537	I371-L432 HydrophobicContact CB-CD2 4.4Å; I371-L432 HydrophobicContact CD1-CD2 4.24Å; I371-L432 HydrophobicContact CG1-CD2 3.98Å; I371-L432 HydrophobicContact CG2-CD2 3.67Å; I428-L432 HydrophobicContact CG2-CD1 3.75Å; I428-L432 HydrophobicContact CG2-CG 4.2Å; I428-L432 VanDerWaalsContact O-CG 3.26Å; I428-L432 WeakPolarHBondContact O-CG 3.34Å; I428-L432 PolarHBondContact O-N 3.42Å; M429-L432 PolarHBondContact O-N 2.79Å; K430-L432 VanDerWaalsContact C-N 3.33Å; L432-K434 HydrophobicContact CB-CG 4.24Å; L432-K434 PolarHBondContact O-N 2.98Å; L432-V537 HydrophobicContact CD1-CG1 3.88Å
433	K	63.5	Low	71.2	Confident	100 Å²	100	48 Å²	48	44%	0.435	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	30.3	-177	-57.1	-172.9	-165.7	125.1	0	114	E373 S377 M429 K430 L431	E373-K433 WeakPolarHBondContact OE1-CD 3.41Å; E373-K433 IonicContact OE1-NZ 3.63Å; E373-K433 PolarHBondContact OE1-NZ 3.09Å; E373-K433 WeakPolarHBondContact OE2-CE 3.48Å; E373-K433 IonicContact OE2-NZ 3.16Å; E373-K433 PolarHBondContact OE2-NZ 3.3Å; S377-K433 PolarHBondContact OG-NZ 3.44Å; S377-K433 VanDerWaalsContact OG-NZ 3.09Å; M429-K433 PolarHBondContact O-N 3.26Å; K430-K433 PolarHBondContact O-N 2.98Å; L431-K433 PolarHBondContact O-N 3.37Å
434	K	64.8	Low	71.3	Confident	76 Å²	76	44.7 Å²	44.7	33%	0.33	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-79.4	149.2	174.1	-70.9	-167.7	175.9	-173	0	109.4	L432 F436 I534	L432-K434 HydrophobicContact CB-CG 4.24Å; L432-K434 PolarHBondContact O-N 2.98Å; K434-F436 PolarHBondContact O-N 3.25Å; K434-I534 HydrophobicContact CB-CG2 4.45Å; K434-I534 HydrophobicContact CD-CG2 4.01Å
435	E	58.6	Low	71.6	Confident	174 Å²	174	42.7 Å²	42.7	81%	0.813	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-56.5	126.1	170.5	-70.1	179.9	170.3	0	0	108.5	P437	E435-P437 WeakPolarHBondContact O-CD 3.23Å
436	F	55	Low	71.9	Confident	90 Å²	90	42.8 Å²	42.8	40%	0.395	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-72.9	123.3	177.9	-84.8	-90.1	0	0	0	108.1	V426 M429 K430 K434	V426-F436 HydrophobicContact CG1-CE1 4.11Å; V426-F436 HydrophobicContact CG1-CZ 4.47Å; M429-F436 HydrophobicContact CB-CD1 4.43Å; M429-F436 HydrophobicContact CB-CE1 3.69Å; M429-F436 HydrophobicContact CB-CZ 3.84Å; M429-F436 HydrophobicContact SD-CE1 4.49Å; K430-F436 HydrophobicContact CB-CE2 4.29Å; K430-F436 HydrophobicContact CB-CZ 3.86Å; K430-F436 HydrophobicContact CG-CE2 4.46Å; K430-F436 HydrophobicContact CG-CZ 4.38Å; K434-F436 PolarHBondContact O-N 3.25Å
437	P	61.7	Low	72.2	Confident	17 Å²	17	42.9 Å²	42.9	11%	0.11	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-55.7	164.3	156.6	-19.2	34.1	0	0	0	109.3	E435 F535	E435-P437 WeakPolarHBondContact O-CD 3.23Å; P437-F535 HydrophobicContact CB-CE2 4.02Å; P437-F535 HydrophobicContact CB-CZ 4.01Å; P437-F535 HydrophobicContact CG-CE2 3.57Å; P437-F535 HydrophobicContact CG-CZ 3.67Å
438	D	66.4	Low	72.8	Confident	115 Å²	115	40 Å²	40	62%	0.615	20%	0.196	S	C	*	.	P	Polyproline II helix	trans	-53.5	140.9	178.9	-93	-33.2	0	0	0	110.4	E440 D441 T442	D438-E440 PolarHBondContact O-N 3.45Å; D438-E440 VanDerWaalsContact O-N 3.12Å; D438-D441 WeakPolarHBondContact O-CB 3.4Å; D438-D441 PolarHBondContact O-N 3.25Å; D438-T442 PolarHBondContact O-N 3.32Å; D438-T442 PolarHBondContact O-OG1 3.2Å
439	P	64.9	Low	73.3	Confident	47 Å²	47	37.6 Å²	37.6	31%	0.305	18%	0.184	S	C	.	.	H	α-helix	trans	-57.1	-33.4	-174.4	18.1	-29.6	0	0	0	112.1	I396 T442 A443	I396-P439 HydrophobicContact CB-CB 4.24Å; I396-P439 HydrophobicContact CD1-CB 3.47Å; I396-P439 VanDerWaalsContact CD1-CB 3.47Å; I396-P439 HydrophobicContact CG1-CB 3.45Å; I396-P439 VanDerWaalsContact CG1-CB 3.45Å; I396-P439 HydrophobicContact CG2-CB 4.28Å; I396-P439 WeakPolarHBondContact CG2-O 3.39Å; P439-T442 WeakPolarHBondContact O-CB 3.13Å; P439-T442 PolarHBondContact O-N 2.9Å; P439-A443 PolarHBondContact O-N 3.13Å
440	E	68.3	Low	73.8	Confident	46 Å²	46	37.6 Å²	37.6	22%	0.215	18%	0.184	C	C	.	.	H	α-helix	trans	-66.1	-41.7	178.9	-61.9	-176.5	-171.3	0	0	111.5	K399 K403 D438 T442 A443 A444	K399-E440 HydrophobicContact CB-CG 4.48Å; K403-E440 IonicContact NZ-OE2 3.39Å; K403-E440 PolarHBondContact NZ-OE2 3.39Å; D438-E440 PolarHBondContact O-N 3.45Å; D438-E440 VanDerWaalsContact O-N 3.12Å; E440-T442 VanDerWaalsContact C-N 3.32Å; E440-T442 PolarHBondContact O-N 3.49Å; E440-A443 PolarHBondContact O-N 2.92Å; E440-A444 PolarHBondContact O-N 3.37Å
441	D	76.1	Confident	74.4	Confident	7 Å²	7	37.1 Å²	37.1	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-60.9	-44	173.4	-64.8	-39.2	0	0	0	110.8	D438 A443 A444 W445 F525 E526	D438-D441 WeakPolarHBondContact O-CB 3.4Å; D438-D441 PolarHBondContact O-N 3.25Å; D441-A443 VanDerWaalsContact C-N 3.25Å; D441-A443 PolarHBondContact O-N 3.01Å; D441-A444 CarbonylContact O-C 3.56Å; D441-A444 WeakPolarHBondContact O-CA 3.33Å; D441-A444 WeakPolarHBondContact O-CB 3.36Å; D441-A444 PolarHBondContact O-N 3.35Å; D441-W445 PolarHBondContact O-N 2.72Å; D441-F525 WeakPolarHBondContact OD1-CA 3.28Å; D441-E526 PolarHBondContact OD1-N 3.34Å
442	T	78.6	Confident	75.3	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-56	-41.7	-178	-61.9	0	0	0	0	112.1	T425 V426 M429 D438 P439 E440 V446 F535	T425-T442 HydrophobicContact CG2-CG2 4.38Å; V426-T442 HydrophobicContact CG2-CG2 4.15Å; M429-T442 HydrophobicContact SD-CG2 4.44Å; D438-T442 PolarHBondContact O-N 3.32Å; D438-T442 PolarHBondContact O-OG1 3.2Å; P439-T442 WeakPolarHBondContact O-CB 3.13Å; P439-T442 PolarHBondContact O-N 2.9Å; E440-T442 VanDerWaalsContact C-N 3.32Å; E440-T442 PolarHBondContact O-N 3.49Å; T442-V446 WeakPolarHBondContact O-CG2 3.08Å; T442-V446 PolarHBondContact O-N 3.07Å; T442-F535 HydrophobicContact CG2-CE1 4.14Å
443	A	80.3	Confident	76.3	Confident	3 Å²	3	34.9 Å²	34.9	3%	0.025	17%	0.172	C	C	.	.	H	α-helix	trans	-68.7	-40.6	176	0	0	0	0	0	111.9	I396 L404 V422 P439 E440 D441 W445 V446 V447	I396-A443 HydrophobicContact CG2-CB 3.9Å; L404-A443 HydrophobicContact CD1-CB 3.44Å; L404-A443 VanDerWaalsContact CD1-CB 3.44Å; V422-A443 HydrophobicContact CG2-CB 4.41Å; P439-A443 PolarHBondContact O-N 3.13Å; E440-A443 PolarHBondContact O-N 2.92Å; D441-A443 VanDerWaalsContact C-N 3.25Å; D441-A443 PolarHBondContact O-N 3.01Å; A443-W445 PolarHBondContact O-N 3.3Å; A443-V446 PolarHBondContact O-N 2.96Å; A443-V447 VanDerWaalsContact O-CG2 3.3Å; A443-V447 WeakPolarHBondContact O-CG2 3.35Å; A443-V447 PolarHBondContact O-N 2.82Å
444	A	84.6	Confident	77.4	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.8	-42	176.1	0	0	0	0	0	112.7	L404 E440 D441 V446 V447 L448 F525 F527	L404-A444 HydrophobicContact CD2-CB 3.96Å; E440-A444 PolarHBondContact O-N 3.37Å; D441-A444 CarbonylContact O-C 3.56Å; D441-A444 WeakPolarHBondContact O-CA 3.33Å; D441-A444 WeakPolarHBondContact O-CB 3.36Å; D441-A444 PolarHBondContact O-N 3.35Å; A444-V446 PolarHBondContact O-N 3.38Å; A444-V447 PolarHBondContact O-N 2.74Å; A444-L448 WeakPolarHBondContact O-CB 3.25Å; A444-L448 PolarHBondContact O-N 3.25Å; A444-F525 HydrophobicContact CB-CB 4.46Å; A444-F525 HydrophobicContact CB-CD1 3.46Å; A444-F525 VanDerWaalsContact CB-CD1 3.46Å; A444-F525 HydrophobicContact CB-CD2 4.35Å; A444-F525 HydrophobicContact CB-CE1 3.67Å; A444-F525 HydrophobicContact CB-CG 3.84Å; A444-F525 HydrophobicContact CB-CZ 4.21Å; A444-F527 HydrophobicContact CB-CZ 4Å
445	W	86.4	Confident	78.6	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.6	-41.2	174.5	-79.6	100.2	0	0	0	112.4	D441 A443 L448 A449 F456 L485 F527 N531 L532 F535 M539	D441-W445 PolarHBondContact O-N 2.72Å; A443-W445 PolarHBondContact O-N 3.3Å; W445-L448 HydrophobicContact CE3-CD2 4.39Å; W445-L448 WeakPolarHBondContact O-CB 3.4Å; W445-L448 PolarHBondContact O-N 3.07Å; W445-A449 PolarHBondContact O-N 2.91Å; W445-A449 VanDerWaalsContact O-N 3.1Å; W445-F456 HydrophobicContact CE3-CE2 4.2Å; W445-F456 AromaticContact CE3-CZ 3.91Å; W445-F456 HydrophobicContact CE3-CZ 3.91Å; W445-F456 AromaticContact CZ3-CE2 3.78Å; W445-F456 HydrophobicContact CZ3-CE2 3.78Å; W445-F456 AromaticContact CZ3-CZ 3.79Å; W445-F456 HydrophobicContact CZ3-CZ 3.79Å; W445-L485 HydrophobicContact CH2-CD1 3.53Å; W445-L485 HydrophobicContact CH2-CD2 4.38Å; W445-L485 HydrophobicContact CH2-CG 4.12Å; W445-L485 HydrophobicContact CZ2-CD1 4.43Å; W445-L485 HydrophobicContact CZ3-CD1 3.65Å; W445-F527 AromaticContact CD2-CD1 3.96Å; W445-F527 HydrophobicContact CD2-CD1 3.96Å; W445-F527 AromaticContact CD2-CE1 3.98Å; W445-F527 HydrophobicContact CD2-CE1 3.98Å; W445-F527 AromaticContact CE2-CD1 3.62Å; W445-F527 HydrophobicContact CE3-CD1 4.3Å; W445-F527 HydrophobicContact CE3-CE1 4.43Å; W445-F527 HydrophobicContact CG-CE1 4.2Å; W445-F527 HydrophobicContact CH2-CD1 4.13Å; W445-F527 HydrophobicContact CZ2-CB 4.48Å; W445-F527 AromaticContact CZ2-CD1 3.73Å; W445-F527 HydrophobicContact CZ2-CD1 3.73Å; W445-F527 HydrophobicContact CZ3-CD1 4.38Å; W445-F527 AromaticContact NE1-CD1 3.97Å; W445-N531 HydrophobicContact CZ2-CB 3.76Å; W445-L532 HydrophobicContact CH2-CB 3.88Å; W445-L532 HydrophobicContact CH2-CD1 3.92Å; W445-L532 HydrophobicContact CZ3-CB 4.33Å; W445-L532 HydrophobicContact CZ3-CD1 3.53Å; W445-F535 HydrophobicContact CB-CD1 3.91Å; W445-F535 HydrophobicContact CB-CD2 4.46Å; W445-F535 HydrophobicContact CB-CE1 3.88Å; W445-F535 HydrophobicContact CB-CE2 4.44Å; W445-F535 HydrophobicContact CB-CG 4.26Å; W445-F535 HydrophobicContact CB-CZ 4.18Å; W445-F535 AromaticContact CD1-CD2 3.68Å; W445-F535 AromaticContact CD1-CE2 3.2Å; W445-F535 AromaticContact CD1-CZ 3.43Å; W445-F535 VanDerWaalsContact CD1-CZ 3.43Å; W445-F535 AromaticContact CD2-CD2 3.67Å; W445-F535 HydrophobicContact CD2-CD2 3.67Å; W445-F535 HydrophobicContact CD2-CE2 4.02Å; W445-F535 HydrophobicContact CD2-CG 4.02Å; W445-F535 AromaticContact CE2-CD2 3.64Å; W445-F535 AromaticContact CE2-CE2 3.81Å; W445-F535 HydrophobicContact CE3-CB 4.4Å; W445-F535 HydrophobicContact CE3-CD2 4.3Å; W445-F535 HydrophobicContact CE3-CG 4.36Å; W445-F535 HydrophobicContact CG-CD1 4.06Å; W445-F535 AromaticContact CG-CD2 3.72Å; W445-F535 HydrophobicContact CG-CD2 3.72Å; W445-F535 HydrophobicContact CG-CE1 4.01Å; W445-F535 AromaticContact CG-CE2 3.68Å; W445-F535 HydrophobicContact CG-CE2 3.68Å; W445-F535 AromaticContact CG-CG 3.97Å; W445-F535 HydrophobicContact CG-CG 3.97Å; W445-F535 AromaticContact CG-CZ 3.85Å; W445-F535 HydrophobicContact CG-CZ 3.85Å; W445-F535 HydrophobicContact CZ2-CD2 4.22Å; W445-F535 AromaticContact NE1-CD2 3.71Å; W445-F535 AromaticContact NE1-CE2 3.36Å; W445-M539 HydrophobicContact CB-CE 4.31Å; W445-M539 HydrophobicContact CB-SD 4.2Å; W445-M539 WeakPolarHBondContact O-CE 3.38Å
446	V	85.8	Confident	80.1	Confident	2 Å²	2	19.8 Å²	19.8	1%	0.012	10%	0.103	C	C	.	.	H	α-helix	trans	-67.7	-40.1	176.4	172.9	0	0	0	0	111.2	T418 S421 V422 T425 T442 A443 A444 A449 N450 M539	T418-V446 HydrophobicContact CG2-CG1 4.38Å; S421-V446 VanDerWaalsContact CB-CG1 3.47Å; V422-V446 HydrophobicContact CG2-CB 3.86Å; V422-V446 HydrophobicContact CG2-CG1 3.79Å; V422-V446 HydrophobicContact CG2-CG2 4.08Å; T425-V446 HydrophobicContact CG2-CG2 4.26Å; T442-V446 WeakPolarHBondContact O-CG2 3.08Å; T442-V446 PolarHBondContact O-N 3.07Å; A443-V446 PolarHBondContact O-N 2.96Å; A444-V446 PolarHBondContact O-N 3.38Å; V446-A449 PolarHBondContact O-N 3.21Å; V446-N450 WeakPolarHBondContact O-CB 3.31Å; V446-N450 PolarHBondContact O-N 3.44Å; V446-N450 PolarHBondContact O-OD1 3.49Å; V446-M539 HydrophobicContact CG2-SD 3.89Å
447	V	86.8	Confident	81.7	Confident	2 Å²	2	15.9 Å²	15.9	1%	0.012	9%	0.088	C	C	.	.	H	α-helix	trans	-60.4	-47	174.4	170.4	0	0	0	0	110.4	L404 M408 T418 A443 A444 A449 N450 Q451 W452	L404-V447 HydrophobicContact CD1-CG2 4.44Å; L404-V447 HydrophobicContact CD2-CG2 4.4Å; M408-V447 HydrophobicContact CG-CG2 4.26Å; T418-V447 HydrophobicContact CG2-CG2 3.77Å; A443-V447 VanDerWaalsContact O-CG2 3.3Å; A443-V447 WeakPolarHBondContact O-CG2 3.35Å; A443-V447 PolarHBondContact O-N 2.82Å; A444-V447 PolarHBondContact O-N 2.74Å; V447-A449 VanDerWaalsContact C-N 3.34Å; V447-A449 PolarHBondContact O-N 3.46Å; V447-N450 PolarHBondContact O-N 3.31Å; V447-N450 VanDerWaalsContact O-N 3.13Å; V447-Q451 HydrophobicContact CG1-CG 4.33Å; V447-Q451 WeakPolarHBondContact O-CB 3.41Å; V447-Q451 PolarHBondContact O-N 2.78Å; V447-W452 HydrophobicContact CG1-CZ3 4.42Å
448	L	88	Confident	82.9	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-54.5	-47.9	176.9	-175.7	66	0	0	0	112	A444 W445 W452 F456 L485 F516 L519 L520 F527	A444-L448 WeakPolarHBondContact O-CB 3.25Å; A444-L448 PolarHBondContact O-N 3.25Å; W445-L448 HydrophobicContact CE3-CD2 4.39Å; W445-L448 WeakPolarHBondContact O-CB 3.4Å; W445-L448 PolarHBondContact O-N 3.07Å; L448-W452 HydrophobicContact CD1-CE3 4.11Å; L448-W452 PolarHBondContact O-N 2.87Å; L448-W452 VanDerWaalsContact O-N 3.07Å; L448-F456 HydrophobicContact CD2-CD2 3.49Å; L448-F456 VanDerWaalsContact CD2-CD2 3.49Å; L448-F456 HydrophobicContact CD2-CE2 3.59Å; L448-F456 HydrophobicContact CD2-CG 4.14Å; L448-F456 HydrophobicContact CD2-CZ 4.28Å; L448-F456 HydrophobicContact CG-CB 4.31Å; L448-F456 HydrophobicContact CG-CD2 3.87Å; L448-F456 HydrophobicContact CG-CE2 4.33Å; L448-F456 HydrophobicContact CG-CG 4.01Å; L448-L485 HydrophobicContact CD2-CD1 4.12Å; L448-F516 HydrophobicContact CD1-CD2 3.82Å; L448-F516 HydrophobicContact CD1-CE2 3.51Å; L448-L519 HydrophobicContact CB-CD2 4.43Å; L448-L519 HydrophobicContact CD1-CD2 4.18Å; L448-L520 HydrophobicContact CD1-CD2 4.28Å; L448-L520 HydrophobicContact CD2-CD2 4.23Å; L448-F527 HydrophobicContact CD2-CD1 4.21Å; L448-F527 HydrophobicContact CD2-CE1 3.89Å
449	A	86.4	Confident	84	Confident	2 Å²	2	9.6 Å²	9.6	2%	0.017	5%	0.053	C	C	.	.	H	α-helix	trans	-71	-30	179.1	0	0	0	0	0	113.9	W445 V446 V447 F456 M539	W445-A449 PolarHBondContact O-N 2.91Å; W445-A449 VanDerWaalsContact O-N 3.1Å; V446-A449 PolarHBondContact O-N 3.21Å; V447-A449 VanDerWaalsContact C-N 3.34Å; V447-A449 PolarHBondContact O-N 3.46Å; A449-F456 HydrophobicContact CB-CD1 3.97Å; A449-F456 HydrophobicContact CB-CE1 3.94Å; A449-M539 HydrophobicContact CB-CE 3.64Å
450	N	84.4	Confident	85.1	Confident	6 Å²	6	7.5 Å²	7.5	3%	0.032	4%	0.04	C	C	.	.	H	α-helix	trans	-80.3	-32.9	-179.2	-72.4	-0.5	0	0	0	113.6	R417 T418 V446 V447 N541	R417-N450 PolarHBondContact NH2-O 2.98Å; T418-N450 VanDerWaalsContact CA-ND2 3.29Å; T418-N450 WeakPolarHBondContact CA-ND2 3.44Å; T418-N450 PolarHBondContact OG1-ND2 3.23Å; T418-N450 VanDerWaalsContact OG1-ND2 3.07Å; V446-N450 WeakPolarHBondContact O-CB 3.31Å; V446-N450 PolarHBondContact O-N 3.44Å; V446-N450 PolarHBondContact O-OD1 3.49Å; V447-N450 PolarHBondContact O-N 3.31Å; V447-N450 VanDerWaalsContact O-N 3.13Å; N450-N541 WeakPolarHBondContact CA-ND2 3.09Å; N450-N541 WeakPolarHBondContact OD1-CB 3.36Å; N450-N541 VanDerWaalsContact OD1-CG 3.25Å; N450-N541 PolarHBondContact OD1-ND2 2.83Å
451	Q	84.8	Confident	86	Confident	14 Å²	14	5.8 Å²	5.8	7%	0.065	3%	0.031	C	C	.	.	H	α-helix	trans	-101.2	-31.2	-172.4	-68.7	-175.1	-37	0	0	114.1	Y407 L409 V447 D510 G511	Y407-Q451 PolarHBondContact O-NE2 3.41Å; Y407-Q451 PolarHBondContact O-OE1 2.93Å; L409-Q451 VanDerWaalsContact N-NE2 3.14Å; V447-Q451 HydrophobicContact CG1-CG 4.33Å; V447-Q451 WeakPolarHBondContact O-CB 3.41Å; V447-Q451 PolarHBondContact O-N 2.78Å; Q451-D510 WeakPolarHBondContact O-CA 3.38Å; Q451-G511 PolarHBondContact O-N 3.27Å
452	W	88.9	Confident	86.3	Confident	4 Å²	4	5.8 Å²	5.8	2%	0.015	3%	0.032	C	C	.	.			trans	-127.9	57.4	179.6	-58.3	-81	0	0	0	112	V447 L448 C454 F456 D510 G511 D512 V515 F516 L519	V447-W452 HydrophobicContact CG1-CZ3 4.42Å; L448-W452 HydrophobicContact CD1-CE3 4.11Å; L448-W452 PolarHBondContact O-N 2.87Å; L448-W452 VanDerWaalsContact O-N 3.07Å; W452-C454 VanDerWaalsContact C-N 3.26Å; W452-C454 PolarHBondContact O-N 2.66Å; W452-F456 WeakPolarHBondContact O-CB 3.39Å; W452-F456 PolarHBondContact O-N 2.8Å; W452-D510 VanDerWaalsContact CA-CG 3.49Å; W452-D510 VanDerWaalsContact CA-OD1 3.24Å; W452-D510 WeakPolarHBondContact CA-OD1 3.43Å; W452-G511 VanDerWaalsContact NE1-C 3.27Å; W452-G511 PolarHBondContact NE1-O 3.04Å; W452-D512 PolarHBondContact NE1-O 3.39Å; W452-V515 HydrophobicContact CH2-CG1 3.82Å; W452-V515 HydrophobicContact CZ2-CB 3.96Å; W452-V515 HydrophobicContact CZ2-CG1 3.7Å; W452-F516 HydrophobicContact CB-CD2 3.58Å; W452-F516 HydrophobicContact CB-CE2 3.86Å; W452-F516 AromaticContact CD1-CD2 3.97Å; W452-F516 HydrophobicContact CD2-CB 3.94Å; W452-F516 AromaticContact CD2-CD2 3.63Å; W452-F516 HydrophobicContact CD2-CD2 3.63Å; W452-F516 HydrophobicContact CD2-CG 4.27Å; W452-F516 AromaticContact CE3-CD2 3.99Å; W452-F516 HydrophobicContact CE3-CD2 3.99Å; W452-F516 HydrophobicContact CG-CB 4.04Å; W452-F516 AromaticContact CG-CD2 3.44Å; W452-F516 HydrophobicContact CG-CD2 3.44Å; W452-F516 VanDerWaalsContact CG-CD2 3.44Å; W452-F516 HydrophobicContact CG-CE2 4.23Å; W452-F516 HydrophobicContact CG-CG 4.11Å; W452-F516 HydrophobicContact CZ2-CB 4.16Å; W452-L519 HydrophobicContact CE3-CD2 4.34Å; W452-L519 HydrophobicContact CH2-CD2 4.28Å; W452-L519 HydrophobicContact CZ3-CD2 3.57Å
453	P	87.4	Confident	86.6	Confident	27 Å²	27	6 Å²	6	18%	0.175	3%	0.033	C	C	.	.	H	α-helix	trans	-58.5	-33	-177.4	26.3	-36.5	0	0	0	113.8	G457 Q509 D510 I546	P453-G457 WeakPolarHBondContact O-CA 3.44Å; P453-G457 PolarHBondContact O-N 3.45Å; P453-Q509 HydrophobicContact CG-CB 4.31Å; P453-D510 WeakPolarHBondContact CD-OD1 3.26Å; P453-D510 VanDerWaalsContact N-OD1 3.08Å; P453-I546 HydrophobicContact CB-CD1 3.92Å; P453-I546 HydrophobicContact CG-CD1 4.38Å
454	C	88.2	Confident	86.8	Confident	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-76.2	-56.1	-178.8	-176	0	0	0	0	112	W452 F456 G457 W458 L506 D510	W452-C454 VanDerWaalsContact C-N 3.26Å; W452-C454 PolarHBondContact O-N 2.66Å; C454-F456 VanDerWaalsContact C-N 3.3Å; C454-F456 PolarHBondContact O-N 2.81Å; C454-G457 PolarHBondContact O-N 3.07Å; C454-W458 WeakPolarHBondContact O-CB 3.41Å; C454-W458 PolarHBondContact O-N 3.46Å; C454-L506 HydrophobicContact CB-CB 4.32Å; C454-L506 WeakPolarHBondContact CB-O 3.29Å; C454-D510 VanDerWaalsContact CB-OD1 3.3Å; C454-D510 WeakPolarHBondContact CB-OD1 3.31Å; C454-D510 PolarHBondContact N-OD1 3.49Å
455	R	89.2	Confident	86.7	Confident	30 Å²	30	9.2 Å²	9.2	11%	0.113	5%	0.048	C	C	.	.	H	α-helix	trans	-62.4	-38.6	178.3	-73.5	167.8	-167.8	128.3	12	111.7	W458 I459 F489 L496 L507 D510 G511 F516	R455-W458 WeakPolarHBondContact O-CB 3.44Å; R455-W458 PolarHBondContact O-N 3.26Å; R455-I459 WeakPolarHBondContact O-CG1 3.49Å; R455-I459 PolarHBondContact O-N 3.27Å; R455-I459 VanDerWaalsContact O-N 3.12Å; R455-F489 HydrophobicContact CG-CE2 4.48Å; R455-L496 HydrophobicContact CG-CD2 4.39Å; R455-L507 HydrophobicContact CG-CD2 4.43Å; R455-D510 VanDerWaalsContact CB-OD2 3.22Å; R455-D510 WeakPolarHBondContact CB-OD2 3.32Å; R455-D510 WeakPolarHBondContact CD-OD2 3.48Å; R455-D510 WeakPolarHBondContact CG-OD2 3.39Å; R455-D510 PolarHBondContact N-OD2 3.41Å; R455-D510 IonicContact NE-OD2 2.68Å; R455-D510 IonicContact NH1-OD2 3.4Å; R455-G511 PolarHBondContact NH1-O 3.31Å; R455-F516 HydrophobicContact CB-CD2 4.45Å; R455-F516 HydrophobicContact CB-CE1 3.92Å; R455-F516 HydrophobicContact CB-CE2 3.82Å; R455-F516 HydrophobicContact CB-CZ 3.53Å; R455-F516 HydrophobicContact CG-CE1 4.41Å; R455-F516 HydrophobicContact CG-CZ 4.47Å
456	F	89.8	Confident	86.5	Confident	4 Å²	4	13 Å²	13	2%	0.018	7%	0.066	C	C	.	.	H	α-helix	trans	-67.6	-43	174.3	-175.8	-131.2	0	0	0	112.1	W445 L448 A449 W452 C454 W458 I459 L460 L485 L532 M539 L542	W445-F456 HydrophobicContact CE3-CE2 4.2Å; W445-F456 AromaticContact CE3-CZ 3.91Å; W445-F456 HydrophobicContact CE3-CZ 3.91Å; W445-F456 AromaticContact CZ3-CE2 3.78Å; W445-F456 HydrophobicContact CZ3-CE2 3.78Å; W445-F456 AromaticContact CZ3-CZ 3.79Å; W445-F456 HydrophobicContact CZ3-CZ 3.79Å; L448-F456 HydrophobicContact CD2-CD2 3.49Å; L448-F456 VanDerWaalsContact CD2-CD2 3.49Å; L448-F456 HydrophobicContact CD2-CE2 3.59Å; L448-F456 HydrophobicContact CD2-CG 4.14Å; L448-F456 HydrophobicContact CD2-CZ 4.28Å; L448-F456 HydrophobicContact CG-CB 4.31Å; L448-F456 HydrophobicContact CG-CD2 3.87Å; L448-F456 HydrophobicContact CG-CE2 4.33Å; L448-F456 HydrophobicContact CG-CG 4.01Å; A449-F456 HydrophobicContact CB-CD1 3.97Å; A449-F456 HydrophobicContact CB-CE1 3.94Å; W452-F456 WeakPolarHBondContact O-CB 3.39Å; W452-F456 PolarHBondContact O-N 2.8Å; C454-F456 VanDerWaalsContact C-N 3.3Å; C454-F456 PolarHBondContact O-N 2.81Å; F456-W458 PolarHBondContact O-N 3.21Å; F456-I459 PolarHBondContact O-N 3.15Å; F456-L460 PolarHBondContact O-N 3.48Å; F456-L485 HydrophobicContact CE2-CD1 4.07Å; F456-L532 HydrophobicContact CE2-CD1 3.92Å; F456-L532 HydrophobicContact CZ-CD1 3.88Å; F456-M539 HydrophobicContact CE1-CE 3.87Å; F456-M539 HydrophobicContact CZ-CE 4.21Å; F456-L542 HydrophobicContact CD1-CD2 3.98Å; F456-L542 HydrophobicContact CE1-CD2 3.44Å; F456-L542 VanDerWaalsContact CE1-CD2 3.44Å; F456-L542 HydrophobicContact CZ-CD2 4.38Å
457	G	88.2	Confident	86.1	Confident	7 Å²	7	15.8 Å²	15.8	7%	0.072	8%	0.078	C	C	.	.	H	α-helix	trans	-58.7	-36	173.2	0	0	0	0	0	113	P453 C454 L460 Q461	P453-G457 WeakPolarHBondContact O-CA 3.44Å; P453-G457 PolarHBondContact O-N 3.45Å; C454-G457 PolarHBondContact O-N 3.07Å; G457-L460 PolarHBondContact O-N 2.97Å; G457-Q461 WeakPolarHBondContact O-CB 3.37Å; G457-Q461 PolarHBondContact O-N 2.89Å
458	W	87.4	Confident	85.9	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.9	-49.7	174.3	-179.4	-106	0	0	0	112.1	C454 R455 F456 L460 Q461 C462 S492 E495 L496 M499 L550 R554	C454-W458 WeakPolarHBondContact O-CB 3.41Å; C454-W458 PolarHBondContact O-N 3.46Å; R455-W458 WeakPolarHBondContact O-CB 3.44Å; R455-W458 PolarHBondContact O-N 3.26Å; F456-W458 PolarHBondContact O-N 3.21Å; W458-L460 VanDerWaalsContact C-N 3.28Å; W458-L460 PolarHBondContact O-N 3.42Å; W458-Q461 WeakPolarHBondContact O-CB 3.29Å; W458-Q461 PolarHBondContact O-N 2.92Å; W458-Q461 VanDerWaalsContact O-N 3.11Å; W458-C462 PolarHBondContact O-N 3.02Å; W458-C462 PolarHBondContact O-SG 2.78Å; W458-S492 PolarHBondContact NE1-O 3.35Å; W458-S492 PolarHBondContact NE1-OG 3.42Å; W458-S492 VanDerWaalsContact NE1-OG 3.13Å; W458-E495 HydrophobicContact CH2-CG 4Å; W458-E495 HydrophobicContact CZ2-CB 4.05Å; W458-E495 HydrophobicContact CZ2-CG 3.73Å; W458-L496 HydrophobicContact CD2-CD1 3.86Å; W458-L496 HydrophobicContact CE3-CD1 4.17Å; W458-L496 HydrophobicContact CG-CD1 4Å; W458-L496 HydrophobicContact CG-CD2 4.4Å; W458-L496 HydrophobicContact CZ2-CB 4.35Å; W458-M499 HydrophobicContact CH2-CE 4.27Å; W458-M499 HydrophobicContact CH2-SD 3.54Å; W458-M499 VanDerWaalsContact CH2-SD 3.54Å; W458-M499 HydrophobicContact CZ3-SD 3.97Å; W458-L550 HydrophobicContact CB-CD1 4.31Å; W458-L550 HydrophobicContact CE3-CB 4.46Å; W458-L550 HydrophobicContact CE3-CD2 4.2Å; W458-R554 HydrophobicContact CH2-CB 4.26Å; W458-R554 HydrophobicContact CH2-CG 3.9Å; W458-R554 HydrophobicContact CZ3-CB 4.1Å; W458-R554 HydrophobicContact CZ3-CG 4.21Å
459	I	88.8	Confident	85.3	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-57.3	-45.3	175.9	-64.8	167.6	0	0	0	110.2	R455 F456 Q461 C462 V463 L485 V488 F489 F516 L520	R455-I459 WeakPolarHBondContact O-CG1 3.49Å; R455-I459 PolarHBondContact O-N 3.27Å; R455-I459 VanDerWaalsContact O-N 3.12Å; F456-I459 PolarHBondContact O-N 3.15Å; I459-Q461 VanDerWaalsContact C-N 3.3Å; I459-Q461 PolarHBondContact O-N 3.05Å; I459-C462 WeakPolarHBondContact O-CB 3.31Å; I459-C462 PolarHBondContact O-N 3.42Å; I459-C462 VanDerWaalsContact O-N 3.14Å; I459-V463 WeakPolarHBondContact O-CG2 3.48Å; I459-V463 PolarHBondContact O-N 2.94Å; I459-L485 HydrophobicContact CG2-CB 4.4Å; I459-L485 HydrophobicContact CG2-CD2 3.82Å; I459-V488 HydrophobicContact CG2-CB 4.36Å; I459-V488 HydrophobicContact CG2-CG1 4.11Å; I459-F489 HydrophobicContact CD1-CB 3.87Å; I459-F489 HydrophobicContact CD1-CD2 4Å; I459-F489 HydrophobicContact CD1-CG 4.22Å; I459-F489 HydrophobicContact CG1-CB 4.02Å; I459-F489 HydrophobicContact CG1-CD2 3.92Å; I459-F489 HydrophobicContact CG1-CG 4.42Å; I459-F516 HydrophobicContact CD1-CZ 3.84Å; I459-L520 HydrophobicContact CD1-CD1 4.02Å
460	L	88.3	Confident	84.9	Confident	4 Å²	4	26.7 Å²	26.7	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-61	-39.7	178.2	-173.3	57	0	0	0	112	F456 G457 W458 V463 E464 L532 L542 R547	F456-L460 PolarHBondContact O-N 3.48Å; G457-L460 PolarHBondContact O-N 2.97Å; W458-L460 VanDerWaalsContact C-N 3.28Å; W458-L460 PolarHBondContact O-N 3.42Å; L460-V463 PolarHBondContact O-N 3.48Å; L460-E464 WeakPolarHBondContact O-CB 3.37Å; L460-E464 PolarHBondContact O-N 3.06Å; L460-L532 HydrophobicContact CD1-CD1 4.14Å; L460-L532 HydrophobicContact CD1-CD2 3.95Å; L460-L532 HydrophobicContact CD1-CG 4.13Å; L460-L542 HydrophobicContact CD2-CD2 4.26Å; L460-R547 VanDerWaalsContact CD2-NH1 3.32Å
461	Q	87.1	Confident	84.6	Confident	9 Å²	9	30.1 Å²	30.1	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-67.1	-37.6	174.8	-171.3	60.3	33.5	0	0	112.3	G457 W458 I459 E464 D465 A551	G457-Q461 WeakPolarHBondContact O-CB 3.37Å; G457-Q461 PolarHBondContact O-N 2.89Å; W458-Q461 WeakPolarHBondContact O-CB 3.29Å; W458-Q461 PolarHBondContact O-N 2.92Å; W458-Q461 VanDerWaalsContact O-N 3.11Å; I459-Q461 VanDerWaalsContact C-N 3.3Å; I459-Q461 PolarHBondContact O-N 3.05Å; Q461-E464 PolarHBondContact O-N 2.86Å; Q461-D465 PolarHBondContact NE2-OD1 3.45Å; Q461-D465 WeakPolarHBondContact O-CB 3.49Å; Q461-D465 VanDerWaalsContact O-CG 3.28Å; Q461-D465 PolarHBondContact O-N 2.84Å; Q461-A551 VanDerWaalsContact CD-CB 3.42Å; Q461-A551 HydrophobicContact CG-CB 4.27Å
462	C	83.4	Confident	84.3	Confident	7 Å²	7	35.6 Å²	35.6	5%	0.047	19%	0.185	C	C	.	.	H	α-helix	trans	-60	-48.1	173.2	-62.5	0	0	0	0	112.7	W458 I459 D465 E466 V488 S492 R554	W458-C462 PolarHBondContact O-N 3.02Å; W458-C462 PolarHBondContact O-SG 2.78Å; I459-C462 WeakPolarHBondContact O-CB 3.31Å; I459-C462 PolarHBondContact O-N 3.42Å; I459-C462 VanDerWaalsContact O-N 3.14Å; C462-D465 PolarHBondContact O-N 3.4Å; C462-E466 PolarHBondContact O-N 3.33Å; C462-E466 VanDerWaalsContact O-N 3.08Å; C462-V488 HydrophobicContact CB-CG1 3.83Å; C462-S492 VanDerWaalsContact SG-CB 3.52Å; C462-R554 PolarHBondContact SG-NH1 3.48Å; C462-R554 PolarHBondContact SG-NH2 3.43Å
463	V	85.4	Confident	83.7	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.024	21%	0.21	C	C	.	.	H	α-helix	trans	-64.2	-41.7	177.6	175.6	0	0	0	0	111	I459 L460 K467 V488 I529 L532	I459-V463 WeakPolarHBondContact O-CG2 3.48Å; I459-V463 PolarHBondContact O-N 2.94Å; L460-V463 PolarHBondContact O-N 3.48Å; V463-K467 HydrophobicContact CG1-CD 4.37Å; V463-K467 WeakPolarHBondContact O-CG 3.2Å; V463-K467 PolarHBondContact O-N 3.1Å; V463-K467 VanDerWaalsContact O-N 3.15Å; V463-V488 HydrophobicContact CG2-CG1 4.1Å; V463-V488 HydrophobicContact CG2-CG2 4.33Å; V463-I529 HydrophobicContact CG1-CG2 4.17Å; V463-I529 HydrophobicContact CG2-CD1 4.37Å; V463-I529 HydrophobicContact CG2-CG1 4.45Å; V463-L532 HydrophobicContact CB-CD2 4.25Å; V463-L532 HydrophobicContact CG1-CD2 4.16Å; V463-L532 HydrophobicContact CG2-CD2 4.06Å
464	E	83.6	Confident	82.8	Confident	55 Å²	55	47.3 Å²	47.3	26%	0.257	24%	0.241	S	C	.	.	H	α-helix	trans	-64.6	-43.6	178.2	-172.3	170.1	179.1	0	0	112.2	L460 Q461 K467 Q468 R547	L460-E464 WeakPolarHBondContact O-CB 3.37Å; L460-E464 PolarHBondContact O-N 3.06Å; Q461-E464 PolarHBondContact O-N 2.86Å; E464-K467 PolarHBondContact O-N 3.1Å; E464-Q468 VanDerWaalsContact O-CG 3.31Å; E464-Q468 WeakPolarHBondContact O-CG 3.46Å; E464-Q468 PolarHBondContact O-N 3.16Å; E464-Q468 PolarHBondContact OE1-NE2 3.41Å; E464-R547 IonicContact OE1-NH2 3.41Å; E464-R547 IonicContact OE2-CZ 3.57Å; E464-R547 IonicContact OE2-NE 3.39Å; E464-R547 PolarHBondContact OE2-NE 3.48Å; E464-R547 IonicContact OE2-NH1 2.76Å; E464-R547 IonicContact OE2-NH2 3.52Å; E464-R547 PolarHBondContact OE2-NH2 3.42Å
465	D	82.5	Confident	81.4	Confident	16 Å²	16	53.9 Å²	53.9	9%	0.086	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-37.8	178	-78.5	2.6	0	0	0	113.2	Q461 C462 K467 Q468 R469 R554 R558	Q461-D465 PolarHBondContact NE2-OD1 3.45Å; Q461-D465 WeakPolarHBondContact O-CB 3.49Å; Q461-D465 VanDerWaalsContact O-CG 3.28Å; Q461-D465 PolarHBondContact O-N 2.84Å; C462-D465 PolarHBondContact O-N 3.4Å; D465-K467 VanDerWaalsContact C-N 3.35Å; D465-Q468 PolarHBondContact O-N 3.03Å; D465-R469 WeakPolarHBondContact O-CB 3.48Å; D465-R469 WeakPolarHBondContact O-CG 3.49Å; D465-R469 PolarHBondContact O-N 3.44Å; D465-R469 PolarHBondContact O-NE 3.22Å; D465-R554 WeakPolarHBondContact OD2-CD 3.38Å; D465-R554 IonicContact OD2-CZ 3.25Å; D465-R554 IonicContact OD2-NE 2.65Å; D465-R554 IonicContact OD2-NH1 2.76Å; D465-R554 PolarHBondContact OD2-NH1 3.41Å; D465-R558 IonicContact OD2-CZ 3.2Å; D465-R558 IonicContact OD2-NH1 2.76Å; D465-R558 PolarHBondContact OD2-NH1 3.18Å; D465-R558 IonicContact OD2-NH2 3.96Å
466	E	81.1	Confident	79.6	Confident	81 Å²	81	62.5 Å²	62.5	38%	0.379	31%	0.31	S	S	.	.	H	α-helix	trans	-64.4	-43.2	176.2	-170.3	175.5	-179.7	0	0	110	C462 R469 A470 K483	C462-E466 PolarHBondContact O-N 3.33Å; C462-E466 VanDerWaalsContact O-N 3.08Å; E466-R469 PolarHBondContact O-N 3.37Å; E466-A470 WeakPolarHBondContact O-CB 3.41Å; E466-A470 PolarHBondContact O-N 3.48Å; E466-K483 IonicContact OE1-NZ 3.58Å; E466-K483 PolarHBondContact OE1-NZ 2.94Å; E466-K483 VanDerWaalsContact OE1-NZ 3.16Å
467	K	78.6	Confident	77.6	Confident	60 Å²	60	64.5 Å²	64.5	26%	0.261	33%	0.327	S	S	.	.	H	α-helix	trans	-62.1	-45.2	173.9	-70.9	177.3	-172.3	-177.4	0	112.4	V463 E464 D465 A470 A471 E533	V463-K467 HydrophobicContact CG1-CD 4.37Å; V463-K467 WeakPolarHBondContact O-CG 3.2Å; V463-K467 PolarHBondContact O-N 3.1Å; V463-K467 VanDerWaalsContact O-N 3.15Å; E464-K467 PolarHBondContact O-N 3.1Å; D465-K467 VanDerWaalsContact C-N 3.35Å; K467-A470 PolarHBondContact O-N 3.25Å; K467-A471 PolarHBondContact O-N 3.33Å; K467-E533 IonicContact NZ-OE1 2.87Å; K467-E533 PolarHBondContact NZ-OE1 3.35Å
468	Q	81.8	Confident	75.7	Confident	96 Å²	96	69.8 Å²	69.8	45%	0.449	36%	0.363	S	S	.	.	H	α-helix	trans	-64.6	-40.8	178.5	-72.4	177.3	6.6	0	0	111.8	E464 D465 A471 I472	E464-Q468 VanDerWaalsContact O-CG 3.31Å; E464-Q468 WeakPolarHBondContact O-CG 3.46Å; E464-Q468 PolarHBondContact O-N 3.16Å; E464-Q468 PolarHBondContact OE1-NE2 3.41Å; D465-Q468 PolarHBondContact O-N 3.03Å; Q468-A471 PolarHBondContact O-N 3.37Å; Q468-I472 VanDerWaalsContact O-CG1 3.31Å; Q468-I472 WeakPolarHBondContact O-CG1 3.34Å; Q468-I472 PolarHBondContact O-N 2.75Å
469	R	76.6	Confident	74.2	Confident	113 Å²	113	74.4 Å²	74.4	43%	0.426	38%	0.384	S	S	.	.	H	α-helix	trans	-65.9	-44.7	175.5	-81.7	-176.4	-83.5	159.3	-1.6	112.5	D465 E466 A471 I472 D473	D465-R469 WeakPolarHBondContact O-CB 3.48Å; D465-R469 WeakPolarHBondContact O-CG 3.49Å; D465-R469 PolarHBondContact O-N 3.44Å; D465-R469 PolarHBondContact O-NE 3.22Å; E466-R469 PolarHBondContact O-N 3.37Å; R469-A471 PolarHBondContact O-N 3.45Å; R469-I472 PolarHBondContact O-N 3.29Å; R469-D473 WeakPolarHBondContact O-CB 3.44Å; R469-D473 PolarHBondContact O-N 2.99Å
470	A	76.8	Confident	72.9	Confident	24 Å²	24	77.9 Å²	77.9	20%	0.198	40%	0.403	C	S	.	.	H	α-helix	trans	-57.6	-37.6	174.8	0	0	0	0	0	112.2	E466 K467 Q474 A477	E466-A470 WeakPolarHBondContact O-CB 3.41Å; E466-A470 PolarHBondContact O-N 3.48Å; K467-A470 PolarHBondContact O-N 3.25Å; A470-Q474 PolarHBondContact O-N 3.4Å; A470-A477 HydrophobicContact CB-CB 4.4Å
471	A	79.1	Confident	71.7	Confident	78 Å²	78	81 Å²	81	65%	0.645	42%	0.419	S	S	*	.	H	α-helix	trans	-68.3	-36.8	175.2	0	0	0	0	0	113.3	K467 Q468 R469	K467-A471 PolarHBondContact O-N 3.33Å; Q468-A471 PolarHBondContact O-N 3.37Å; R469-A471 PolarHBondContact O-N 3.45Å
472	I	78.4	Confident	70.9	Confident	128 Å²	128	84.6 Å²	84.6	66%	0.656	45%	0.446	S	S	*	.	H	α-helix	trans	-68.5	-46.1	175.8	-68.8	163.7	0	0	0	110.7	Q468 R469 Q474	Q468-I472 VanDerWaalsContact O-CG1 3.31Å; Q468-I472 WeakPolarHBondContact O-CG1 3.34Å; Q468-I472 PolarHBondContact O-N 2.75Å; R469-I472 PolarHBondContact O-N 3.29Å; I472-Q474 PolarHBondContact O-N 2.92Å
473	D	77	Confident	70.7	Confident	100 Å²	100	86.1 Å²	86.1	54%	0.535	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-0.9	-173.7	-65.1	-25.3	0	0	0	113.1	R469 Q475	R469-D473 WeakPolarHBondContact O-CB 3.44Å; R469-D473 PolarHBondContact O-N 2.99Å; D473-Q475 HydrophobicContact CB-CG 4.24Å; D473-Q475 PolarHBondContact O-N 3.33Å
474	Q	66.7	Low	70.8	Confident	177 Å²	177	88.3 Å²	88.3	83%	0.827	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	19.1	-176.7	-58.9	-179	10.9	0	0	114	A470 I472 K476	A470-Q474 PolarHBondContact O-N 3.4Å; I472-Q474 PolarHBondContact O-N 2.92Å; Q474-K476 PolarHBondContact O-N 2.77Å
475	Q	60.7	Low	70.9	Confident	139 Å²	139	85.7 Å²	85.7	65%	0.65	45%	0.453	S	S	*	.			trans	-68.3	130.1	171.4	-69.5	-176.7	7.6	0	0	107	D473 A477	D473-Q475 HydrophobicContact CB-CG 4.24Å; D473-Q475 PolarHBondContact O-N 3.33Å; Q475-A477 VanDerWaalsContact C-N 3.3Å; Q475-A477 PolarHBondContact O-N 2.84Å
476	K	50.7	Low	71.1	Confident	210 Å²	210	87.8 Å²	87.8	91%	0.913	46%	0.459	S	S	*	.			trans	-57	104.6	164.2	-86.1	-178.1	178.9	177.4	0	105.4	Q474 S478	Q474-K476 PolarHBondContact O-N 2.77Å; K476-S478 PolarHBondContact O-N 2.9Å
477	A	48.5	Very low	71.3	Confident	47 Å²	47	88.1 Å²	88.1	39%	0.388	46%	0.461	S	S	.	.			trans	-50.1	108.6	-179.7	0	0	0	0	0	107.9	A470 Q475 H479	A470-A477 HydrophobicContact CB-CB 4.4Å; Q475-A477 VanDerWaalsContact C-N 3.3Å; Q475-A477 PolarHBondContact O-N 2.84Å; A477-H479 WeakPolarHBondContact CB-CD2 3.38Å; A477-H479 PolarHBondContact O-N 3.41Å
478	S	48.2	Very low	71.6	Confident	117 Å²	117	85.6 Å²	85.6	82%	0.818	45%	0.451	S	S	*	.			trans	-68.8	78.6	156.4	62.1	0	0	0	0	104.4	K476 D480	K476-S478 PolarHBondContact O-N 2.9Å; S478-D480 PolarHBondContact O-N 2.94Å
479	H	55.2	Low	71.8	Confident	97 Å²	97	81.4 Å²	81.4	45%	0.449	43%	0.431	S	S	.	.			trans	-61.7	94.4	172.2	-100.6	-82	0	0	0	105.7	A477 D481	A477-H479 WeakPolarHBondContact CB-CD2 3.38Å; A477-H479 PolarHBondContact O-N 3.41Å; H479-D481 WeakPolarHBondContact CB-OD1 3.36Å; H479-D481 IonicContact CG-OD1 2.72Å; H479-D481 IonicContact ND1-OD1 3.25Å; H479-D481 PolarHBondContact ND1-OD1 3.4Å; H479-D481 PolarHBondContact O-N 3.32Å
480	D	61.3	Low	72.1	Confident	74 Å²	74	78.4 Å²	78.4	40%	0.396	43%	0.427	S	S	.	.			trans	-79.3	72.7	169.1	-166.1	2.6	0	0	0	107	S478 S482 K483	S478-D480 PolarHBondContact O-N 2.94Å; D480-S482 PolarHBondContact O-N 3.24Å; D480-S482 PolarHBondContact OD1-OG 3.38Å; D480-K483 HydrophobicContact CB-CD 4.02Å; D480-K483 HydrophobicContact CB-CG 3.86Å; D480-K483 WeakPolarHBondContact O-CB 2.98Å; D480-K483 PolarHBondContact O-N 3.04Å; D480-K483 WeakPolarHBondContact OD2-CG 3.28Å
481	D	64.1	Low	72.3	Confident	68 Å²	68	83.9 Å²	83.9	36%	0.364	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-10.4	-179.7	-68.3	-23	0	0	0	111.8	H479 K530	H479-D481 WeakPolarHBondContact CB-OD1 3.36Å; H479-D481 IonicContact CG-OD1 2.72Å; H479-D481 IonicContact ND1-OD1 3.25Å; H479-D481 PolarHBondContact ND1-OD1 3.4Å; H479-D481 PolarHBondContact O-N 3.32Å; D481-K530 HydrophobicContact CB-CB 4.45Å
482	S	68.6	Low	72.2	Confident	85 Å²	85	80.5 Å²	80.5	59%	0.594	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-12.2	174.9	82.9	0	0	0	0	114.2	D480 T484	D480-S482 PolarHBondContact O-N 3.24Å; D480-S482 PolarHBondContact OD1-OG 3.38Å; S482-T484 PolarHBondContact O-N 2.84Å
483	K	80.8	Confident	72.3	Confident	40 Å²	40	79.3 Å²	79.3	17%	0.174	41%	0.408	C	S	.	.			trans	-57.8	133.8	174.7	-76.5	176.7	-178.8	177.7	0	110.2	E466 D480 I529	E466-K483 IonicContact OE1-NZ 3.58Å; E466-K483 PolarHBondContact OE1-NZ 2.94Å; E466-K483 VanDerWaalsContact OE1-NZ 3.16Å; D480-K483 HydrophobicContact CB-CD 4.02Å; D480-K483 HydrophobicContact CB-CG 3.86Å; D480-K483 WeakPolarHBondContact O-CB 2.98Å; D480-K483 PolarHBondContact O-N 3.04Å; D480-K483 WeakPolarHBondContact OD2-CG 3.28Å; K483-I529 HydrophobicContact CB-CD1 3.66Å; K483-I529 HydrophobicContact CB-CG1 4.34Å; K483-I529 HydrophobicContact CD-CD1 4.36Å; K483-I529 WeakPolarHBondContact O-CG1 3.49Å; K483-I529 PolarHBondContact O-N 3.29Å
484	T	86	Confident	71.9	Confident	49 Å²	49	78.6 Å²	78.6	30%	0.301	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-85.3	154.2	176.4	64	0	0	0	0	111	S482 W486 Q487 V488 F527	S482-T484 PolarHBondContact O-N 2.84Å; T484-W486 PolarHBondContact O-N 2.86Å; T484-Q487 PolarHBondContact O-N 2.87Å; T484-Q487 VanDerWaalsContact O-N 3.11Å; T484-Q487 WeakPolarHBondContact OG1-CG 3.36Å; T484-Q487 PolarHBondContact OG1-N 2.75Å; T484-V488 PolarHBondContact O-N 2.9Å; T484-F527 CarbonylContact C-O 3.4Å; T484-F527 VanDerWaalsContact CA-O 3.3Å; T484-F527 WeakPolarHBondContact CA-O 3.37Å
485	L	85.9	Confident	72.1	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-58.4	-33.5	174.4	-64.2	-169.9	0	0	0	112	W445 L448 F456 I459 Q487 V488 F489 L520 F527 L532	W445-L485 HydrophobicContact CH2-CD1 3.53Å; W445-L485 HydrophobicContact CH2-CD2 4.38Å; W445-L485 HydrophobicContact CH2-CG 4.12Å; W445-L485 HydrophobicContact CZ2-CD1 4.43Å; W445-L485 HydrophobicContact CZ3-CD1 3.65Å; L448-L485 HydrophobicContact CD2-CD1 4.12Å; F456-L485 HydrophobicContact CE2-CD1 4.07Å; I459-L485 HydrophobicContact CG2-CB 4.4Å; I459-L485 HydrophobicContact CG2-CD2 3.82Å; L485-Q487 PolarHBondContact O-N 3.26Å; L485-V488 PolarHBondContact O-N 3.2Å; L485-F489 WeakPolarHBondContact O-CB 3.46Å; L485-F489 PolarHBondContact O-N 2.94Å; L485-L520 HydrophobicContact CB-CD2 4.1Å; L485-L520 HydrophobicContact CD1-CD2 4.31Å; L485-F527 HydrophobicContact CB-CB 4.14Å; L485-F527 HydrophobicContact CD1-CB 4.03Å; L485-F527 HydrophobicContact CD1-CD1 4.07Å; L485-F527 HydrophobicContact CD1-CG 4.36Å; L485-F527 HydrophobicContact CG-CB 3.95Å; L485-F527 PolarHBondContact N-O 3.48Å; L485-L532 HydrophobicContact CD2-CD1 4.47Å; L485-L532 HydrophobicContact CD2-CD2 4.04Å
486	W	86.8	Confident	72.9	Confident	60 Å²	60	66.6 Å²	66.6	23%	0.227	35%	0.346	C	S	.	.	H	α-helix	trans	-59.3	-44.4	174.6	174.7	-110.7	0	0	0	112.3	T484 V488 F489 S490 E517 L520 K521	T484-W486 PolarHBondContact O-N 2.86Å; W486-V488 PolarHBondContact O-N 3.42Å; W486-F489 HydrophobicContact CE3-CD1 4.31Å; W486-F489 AromaticContact CZ3-CD1 3.92Å; W486-F489 HydrophobicContact CZ3-CD1 3.92Å; W486-F489 HydrophobicContact CZ3-CE1 4.4Å; W486-F489 PolarHBondContact O-N 3.5Å; W486-S490 WeakPolarHBondContact O-CB 3.28Å; W486-S490 PolarHBondContact O-N 3.34Å; W486-S490 PolarHBondContact O-OG 3.44Å; W486-E517 HydrophobicContact CH2-CB 4.49Å; W486-E517 HydrophobicContact CH2-CG 4.24Å; W486-E517 WeakPolarHBondContact CH2-OE2 3.44Å; W486-E517 HydrophobicContact CZ3-CB 4Å; W486-E517 HydrophobicContact CZ3-CG 3.83Å; W486-L520 HydrophobicContact CB-CB 4.38Å; W486-L520 HydrophobicContact CE3-CB 4.12Å; W486-L520 HydrophobicContact CE3-CD1 4.49Å; W486-K521 HydrophobicContact CD2-CG 3.88Å; W486-K521 HydrophobicContact CE3-CG 4.09Å; W486-K521 HydrophobicContact CG-CG 4.3Å; W486-K521 HydrophobicContact CH2-CD 4.46Å; W486-K521 VanDerWaalsContact CH2-NZ 3.35Å; W486-K521 HydrophobicContact CZ2-CD 4.34Å; W486-K521 HydrophobicContact CZ2-CG 4.5Å; W486-K521 HydrophobicContact CZ3-CG 4.48Å
487	Q	85.4	Confident	74	Confident	88 Å²	88	62.7 Å²	62.7	41%	0.411	33%	0.326	S	S	.	.	H	α-helix	trans	-62.7	-45	177.9	-72.3	172.3	-2.5	0	0	111.3	T484 L485 F489 S490 Q491	T484-Q487 PolarHBondContact O-N 2.87Å; T484-Q487 VanDerWaalsContact O-N 3.11Å; T484-Q487 WeakPolarHBondContact OG1-CG 3.36Å; T484-Q487 PolarHBondContact OG1-N 2.75Å; L485-Q487 PolarHBondContact O-N 3.26Å; Q487-F489 VanDerWaalsContact C-N 3.34Å; Q487-F489 PolarHBondContact O-N 3.41Å; Q487-S490 PolarHBondContact O-N 3.49Å; Q487-S490 PolarHBondContact O-OG 2.9Å; Q487-Q491 WeakPolarHBondContact O-CG 3.36Å; Q487-Q491 PolarHBondContact O-N 3.16Å; Q487-Q491 VanDerWaalsContact O-N 3.17Å
488	V	84.5	Confident	75.1	Confident	7 Å²	7	64.5 Å²	64.5	4%	0.042	33%	0.332	C	S	.	.	H	α-helix	trans	-61	-44.7	177.2	179.6	0	0	0	0	111	I459 C462 V463 T484 L485 W486 Q491 S492 I529	I459-V488 HydrophobicContact CG2-CB 4.36Å; I459-V488 HydrophobicContact CG2-CG1 4.11Å; C462-V488 HydrophobicContact CB-CG1 3.83Å; V463-V488 HydrophobicContact CG2-CG1 4.1Å; V463-V488 HydrophobicContact CG2-CG2 4.33Å; T484-V488 PolarHBondContact O-N 2.9Å; L485-V488 PolarHBondContact O-N 3.2Å; W486-V488 PolarHBondContact O-N 3.42Å; V488-Q491 PolarHBondContact O-N 2.96Å; V488-S492 PolarHBondContact O-N 3.25Å; V488-S492 VanDerWaalsContact O-N 3.15Å; V488-S492 PolarHBondContact O-OG 2.84Å; V488-S492 VanDerWaalsContact O-OG 3.14Å; V488-I529 HydrophobicContact CG2-CD1 4.11Å
489	F	86.1	Confident	76.1	Confident	8 Å²	8	59.5 Å²	59.5	4%	0.035	30%	0.296	C	S	.	.	H	α-helix	trans	-64.3	-43.6	177.5	-176.3	-108	0	0	0	112.1	R455 I459 L485 W486 Q487 Q491 S492 R493 L496 F516	R455-F489 HydrophobicContact CG-CE2 4.48Å; I459-F489 HydrophobicContact CD1-CB 3.87Å; I459-F489 HydrophobicContact CD1-CD2 4Å; I459-F489 HydrophobicContact CD1-CG 4.22Å; I459-F489 HydrophobicContact CG1-CB 4.02Å; I459-F489 HydrophobicContact CG1-CD2 3.92Å; I459-F489 HydrophobicContact CG1-CG 4.42Å; L485-F489 WeakPolarHBondContact O-CB 3.46Å; L485-F489 PolarHBondContact O-N 2.94Å; W486-F489 HydrophobicContact CE3-CD1 4.31Å; W486-F489 AromaticContact CZ3-CD1 3.92Å; W486-F489 HydrophobicContact CZ3-CD1 3.92Å; W486-F489 HydrophobicContact CZ3-CE1 4.4Å; W486-F489 PolarHBondContact O-N 3.5Å; Q487-F489 VanDerWaalsContact C-N 3.34Å; Q487-F489 PolarHBondContact O-N 3.41Å; F489-Q491 PolarHBondContact O-N 2.96Å; F489-S492 CarbonylContact O-C 3.2Å; F489-S492 PolarHBondContact O-N 3.18Å; F489-S492 VanDerWaalsContact O-N 3.1Å; F489-S492 PolarHBondContact O-OG 2.98Å; F489-R493 HydrophobicContact CE1-CG 4.34Å; F489-R493 HydrophobicContact CZ-CG 4.31Å; F489-R493 WeakPolarHBondContact O-CB 3.44Å; F489-R493 PolarHBondContact O-N 3.27Å; F489-L496 HydrophobicContact CE2-CD2 4.04Å; F489-F516 HydrophobicContact CD1-CE1 4.2Å; F489-F516 HydrophobicContact CD2-CE1 4.11Å; F489-F516 HydrophobicContact CE1-CD1 4.47Å; F489-F516 AromaticContact CE1-CE1 4Å; F489-F516 HydrophobicContact CE1-CE1 4Å; F489-F516 AromaticContact CE2-CE1 3.9Å; F489-F516 HydrophobicContact CE2-CE1 3.9Å; F489-F516 HydrophobicContact CG-CE1 4.25Å; F489-F516 HydrophobicContact CZ-CD1 4.41Å; F489-F516 AromaticContact CZ-CE1 3.84Å; F489-F516 HydrophobicContact CZ-CE1 3.84Å
490	S	82.9	Confident	77	Confident	50 Å²	50	61.6 Å²	61.6	35%	0.35	30%	0.3	S	S	.	.	H	α-helix	trans	-60.2	-34.2	179.6	72.5	0	0	0	0	112.7	W486 Q487	W486-S490 WeakPolarHBondContact O-CB 3.28Å; W486-S490 PolarHBondContact O-N 3.34Å; W486-S490 PolarHBondContact O-OG 3.44Å; Q487-S490 PolarHBondContact O-N 3.49Å; Q487-S490 PolarHBondContact O-OG 2.9Å
491	Q	80.6	Confident	77.5	Confident	139 Å²	139	63.3 Å²	63.3	65%	0.65	31%	0.313	S	S	*	.	H	α-helix	trans	-75.3	-34.5	176.3	-69	174.9	7.4	0	0	112.5	Q487 V488 F489	Q487-Q491 WeakPolarHBondContact O-CG 3.36Å; Q487-Q491 PolarHBondContact O-N 3.16Å; Q487-Q491 VanDerWaalsContact O-N 3.17Å; V488-Q491 PolarHBondContact O-N 2.96Å; F489-Q491 PolarHBondContact O-N 2.96Å
492	S	78.6	Confident	77.8	Confident	7 Å²	7	64.3 Å²	64.3	5%	0.049	32%	0.319	C	S	.	.	H	α-helix	trans	-98.5	-2.3	-175.4	71.2	0	0	0	0	114.7	W458 C462 V488 F489 E494 E495 L496	W458-S492 PolarHBondContact NE1-O 3.35Å; W458-S492 PolarHBondContact NE1-OG 3.42Å; W458-S492 VanDerWaalsContact NE1-OG 3.13Å; C462-S492 VanDerWaalsContact SG-CB 3.52Å; V488-S492 PolarHBondContact O-N 3.25Å; V488-S492 VanDerWaalsContact O-N 3.15Å; V488-S492 PolarHBondContact O-OG 2.84Å; V488-S492 VanDerWaalsContact O-OG 3.14Å; F489-S492 CarbonylContact O-C 3.2Å; F489-S492 PolarHBondContact O-N 3.18Å; F489-S492 VanDerWaalsContact O-N 3.1Å; F489-S492 PolarHBondContact O-OG 2.98Å; S492-E494 PolarHBondContact O-N 3.07Å; S492-E495 WeakPolarHBondContact O-CB 3.5Å; S492-E495 PolarHBondContact O-N 2.95Å; S492-L496 PolarHBondContact O-N 2.92Å
493	R	79.3	Confident	78.4	Confident	104 Å²	104	60.3 Å²	60.3	39%	0.392	29%	0.291	S	S	.	.	H	α-helix	trans	-62	-41.5	-178.7	-173.8	-173.6	68.7	-171.6	-1.3	112.8	F489 E495 L496 Y497	F489-R493 HydrophobicContact CE1-CG 4.34Å; F489-R493 HydrophobicContact CZ-CG 4.31Å; F489-R493 WeakPolarHBondContact O-CB 3.44Å; F489-R493 PolarHBondContact O-N 3.27Å; R493-E495 VanDerWaalsContact C-N 3.32Å; R493-L496 PolarHBondContact O-N 3.12Å; R493-Y497 PolarHBondContact O-N 3.29Å
494	E	69.3	Low	78.2	Confident	85 Å²	85	63.2 Å²	63.2	40%	0.397	30%	0.304	S	S	.	.	H	α-helix	trans	-66.3	-37.7	179.3	-57.1	-58.7	138.1	0	0	111	S492 Y497 V498	S492-E494 PolarHBondContact O-N 3.07Å; E494-Y497 PolarHBondContact O-N 3.09Å; E494-V498 WeakPolarHBondContact O-CG2 3.23Å; E494-V498 PolarHBondContact O-N 3.28Å; E494-V498 VanDerWaalsContact O-N 3.13Å
495	E	70.9	Confident	77.8	Confident	52 Å²	52	64.9 Å²	64.9	24%	0.243	31%	0.312	C	S	.	.	H	α-helix	trans	-63.1	-45	173	-173.1	-176.4	-177.7	0	0	110.7	W458 S492 R493 Y497 V498 M499 R554	W458-E495 HydrophobicContact CH2-CG 4Å; W458-E495 HydrophobicContact CZ2-CB 4.05Å; W458-E495 HydrophobicContact CZ2-CG 3.73Å; S492-E495 WeakPolarHBondContact O-CB 3.5Å; S492-E495 PolarHBondContact O-N 2.95Å; R493-E495 VanDerWaalsContact C-N 3.32Å; E495-Y497 VanDerWaalsContact C-N 3.32Å; E495-Y497 PolarHBondContact O-N 3.49Å; E495-V498 PolarHBondContact O-N 3.02Å; E495-M499 HydrophobicContact CG-CE 3.67Å; E495-M499 HydrophobicContact CG-SD 4.41Å; E495-M499 WeakPolarHBondContact O-CG 3.39Å; E495-M499 PolarHBondContact O-N 2.7Å; E495-M499 VanDerWaalsContact O-N 3.15Å; E495-R554 WeakPolarHBondContact OE1-CG 3.41Å; E495-R554 IonicContact OE1-CZ 3.85Å; E495-R554 IonicContact OE1-NE 3.38Å; E495-R554 PolarHBondContact OE1-NE 2.92Å; E495-R554 IonicContact OE1-NH2 3.42Å; E495-R554 IonicContact OE2-CZ 2.94Å; E495-R554 IonicContact OE2-NE 3.28Å; E495-R554 PolarHBondContact OE2-NE 3.03Å; E495-R554 IonicContact OE2-NH2 2.88Å; E495-R554 PolarHBondContact OE2-NH2 3.43Å
496	L	76.9	Confident	77.5	Confident	12 Å²	12	65.1 Å²	65.1	6%	0.063	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-38.6	176.2	-176	63.3	0	0	0	112.3	R455 W458 F489 S492 R493 M499 R500 I503	R455-L496 HydrophobicContact CG-CD2 4.39Å; W458-L496 HydrophobicContact CD2-CD1 3.86Å; W458-L496 HydrophobicContact CE3-CD1 4.17Å; W458-L496 HydrophobicContact CG-CD1 4Å; W458-L496 HydrophobicContact CG-CD2 4.4Å; W458-L496 HydrophobicContact CZ2-CB 4.35Å; F489-L496 HydrophobicContact CE2-CD2 4.04Å; S492-L496 PolarHBondContact O-N 2.92Å; R493-L496 PolarHBondContact O-N 3.12Å; L496-M499 PolarHBondContact O-N 3.32Å; L496-R500 PolarHBondContact O-N 3.32Å; L496-I503 HydrophobicContact CD1-CD1 4.28Å
497	Y	74.8	Confident	77.2	Confident	127 Å²	127	63.7 Å²	63.7	50%	0.498	31%	0.31	S	S	.	.	H	α-helix	trans	-64.2	-44	177.9	179.5	-97.1	0	0	0	112	R493 E494 E495 M499 R500 T574	R493-Y497 PolarHBondContact O-N 3.29Å; E494-Y497 PolarHBondContact O-N 3.09Å; E495-Y497 VanDerWaalsContact C-N 3.32Å; E495-Y497 PolarHBondContact O-N 3.49Å; Y497-M499 VanDerWaalsContact C-N 3.26Å; Y497-M499 PolarHBondContact O-N 2.81Å; Y497-R500 WeakPolarHBondContact O-CB 3.39Å; Y497-R500 PolarHBondContact O-N 3.49Å; Y497-T574 HydrophobicContact CD1-CG2 4.23Å; Y497-T574 HydrophobicContact CE1-CG2 4.1Å
498	V	70.5	Confident	76.9	Confident	85 Å²	85	63 Å²	63	52%	0.515	31%	0.306	S	S	.	.	H	α-helix	trans	-62.3	-37	176.6	173.4	0	0	0	0	111.1	E494 E495 R500	E494-V498 WeakPolarHBondContact O-CG2 3.23Å; E494-V498 PolarHBondContact O-N 3.28Å; E494-V498 VanDerWaalsContact O-N 3.13Å; E495-V498 PolarHBondContact O-N 3.02Å; V498-R500 VanDerWaalsContact C-N 3.27Å; V498-R500 PolarHBondContact O-N 2.9Å
499	M	69.1	Low	76.5	Confident	13 Å²	13	64.4 Å²	64.4	6%	0.064	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	2	-179.4	-63.1	-176.1	-172.8	0	0	114.3	W458 E495 L496 Y497 T501 N502 I503 I553 R554 C557	W458-M499 HydrophobicContact CH2-CE 4.27Å; W458-M499 HydrophobicContact CH2-SD 3.54Å; W458-M499 VanDerWaalsContact CH2-SD 3.54Å; W458-M499 HydrophobicContact CZ3-SD 3.97Å; E495-M499 HydrophobicContact CG-CE 3.67Å; E495-M499 HydrophobicContact CG-SD 4.41Å; E495-M499 WeakPolarHBondContact O-CG 3.39Å; E495-M499 PolarHBondContact O-N 2.7Å; E495-M499 VanDerWaalsContact O-N 3.15Å; L496-M499 PolarHBondContact O-N 3.32Å; Y497-M499 VanDerWaalsContact C-N 3.26Å; Y497-M499 PolarHBondContact O-N 2.81Å; M499-T501 VanDerWaalsContact C-N 3.26Å; M499-T501 PolarHBondContact O-N 2.69Å; M499-T501 VanDerWaalsContact O-N 3.16Å; M499-N502 PolarHBondContact O-N 3.46Å; M499-I503 HydrophobicContact CB-CD1 3.58Å; M499-I503 HydrophobicContact CB-CG1 4.38Å; M499-I503 WeakPolarHBondContact O-CG1 2.99Å; M499-I503 PolarHBondContact O-N 2.89Å; M499-I553 HydrophobicContact SD-CG2 4.35Å; M499-R554 HydrophobicContact CE-CG 4.2Å; M499-R554 HydrophobicContact SD-CB 4.47Å; M499-C557 HydrophobicContact CE-CB 3.59Å
500	R	74.6	Confident	76.4	Confident	140 Å²	140	64.8 Å²	64.8	53%	0.528	32%	0.315	S	S	.	.	H	α-helix	trans	-53.4	-40.1	-174.8	-179	-179.4	-177.8	177.6	3.2	113.2	L496 Y497 V498 N502 I503 E504 L507	L496-R500 PolarHBondContact O-N 3.32Å; Y497-R500 WeakPolarHBondContact O-CB 3.39Å; Y497-R500 PolarHBondContact O-N 3.49Å; V498-R500 VanDerWaalsContact C-N 3.27Å; V498-R500 PolarHBondContact O-N 2.9Å; R500-N502 PolarHBondContact O-N 3.11Å; R500-I503 CarbonylContact O-C 3.57Å; R500-I503 PolarHBondContact O-N 3.41Å; R500-I503 VanDerWaalsContact O-N 3.15Å; R500-E504 PolarHBondContact O-N 3.45Å; R500-L507 HydrophobicContact CB-CD1 4.46Å; R500-L507 HydrophobicContact CG-CD1 3.99Å
501	T	71.2	Confident	76.4	Confident	110 Å²	110	63.5 Å²	63.5	68%	0.675	31%	0.309	S	S	*	.	H	α-helix	trans	-61.2	-28.9	-179.1	53	0	0	0	0	113	M499	M499-T501 VanDerWaalsContact C-N 3.26Å; M499-T501 PolarHBondContact O-N 2.69Å; M499-T501 VanDerWaalsContact O-N 3.16Å
502	N	71.5	Confident	76.6	Confident	90 Å²	90	60.8 Å²	60.8	48%	0.481	30%	0.299	S	S	.	.	H	α-helix	trans	-93.6	-14.2	-177.7	-61	4.7	0	0	0	111.9	M499 R500 I553	M499-N502 PolarHBondContact O-N 3.46Å; R500-N502 PolarHBondContact O-N 3.11Å; N502-I553 HydrophobicContact CB-CG2 4.15Å
503	I	79.7	Confident	76.9	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-119.5	6.1	-171.2	-52.7	171.4	0	0	0	110.6	L496 M499 R500 D505 L506 L507 L550 I553	L496-I503 HydrophobicContact CD1-CD1 4.28Å; M499-I503 HydrophobicContact CB-CD1 3.58Å; M499-I503 HydrophobicContact CB-CG1 4.38Å; M499-I503 WeakPolarHBondContact O-CG1 2.99Å; M499-I503 PolarHBondContact O-N 2.89Å; R500-I503 CarbonylContact O-C 3.57Å; R500-I503 PolarHBondContact O-N 3.41Å; R500-I503 VanDerWaalsContact O-N 3.15Å; I503-D505 PolarHBondContact O-N 3.45Å; I503-L506 HydrophobicContact CG2-CB 3.82Å; I503-L506 HydrophobicContact CG2-CD1 4.11Å; I503-L506 HydrophobicContact CG2-CG 4.43Å; I503-L506 WeakPolarHBondContact O-CA 3.47Å; I503-L506 PolarHBondContact O-N 2.96Å; I503-L507 HydrophobicContact CB-CD1 4.48Å; I503-L507 HydrophobicContact CG2-CD1 4.45Å; I503-L507 HydrophobicContact CG2-CG 4.04Å; I503-L507 PolarHBondContact O-N 2.99Å; I503-L550 HydrophobicContact CD1-CD2 3.75Å; I503-L550 HydrophobicContact CG1-CD2 4.16Å; I503-L550 HydrophobicContact CG2-CD2 3.66Å; I503-I553 HydrophobicContact CD1-CG2 4.38Å; I503-I553 HydrophobicContact CG1-CD1 3.95Å; I503-I553 HydrophobicContact CG1-CG2 4.38Å
504	E	78.3	Confident	77.2	Confident	100 Å²	100	64.2 Å²	64.2	47%	0.467	32%	0.323	S	S	.	.	H	α-helix	trans	-52.2	-50.8	-174.9	-172.9	167.6	-157.9	0	0	112.2	R500 L506 L507 E508	R500-E504 PolarHBondContact O-N 3.45Å; E504-L506 PolarHBondContact O-N 3.28Å; E504-L506 VanDerWaalsContact O-N 3.13Å; E504-L507 PolarHBondContact O-N 3.39Å; E504-E508 VanDerWaalsContact O-CG 3.28Å; E504-E508 WeakPolarHBondContact O-CG 3.13Å; E504-E508 PolarHBondContact O-N 3.21Å; E504-E508 VanDerWaalsContact O-N 3.09Å
505	D	75.9	Confident	78.1	Confident	84 Å²	84	62.2 Å²	62.2	45%	0.449	32%	0.317	S	S	.	.	H	α-helix	trans	-57.2	-28.9	176.9	-73.9	0.9	0	0	0	114.3	K299 I503	K299-D505 IonicContact NZ-OD2 3.47Å; K299-D505 PolarHBondContact NZ-OD2 3.26Å; I503-D505 PolarHBondContact O-N 3.45Å
506	L	79.5	Confident	79	Confident	5 Å²	5	59.8 Å²	59.8	3%	0.026	31%	0.305	C	S	.	.	H	α-helix	trans	-87.3	-38.4	-179.8	-59.6	178.9	0	0	0	111.1	C454 I503 E504 E508 Q509 I546 E549 L550	C454-L506 HydrophobicContact CB-CB 4.32Å; C454-L506 WeakPolarHBondContact CB-O 3.29Å; I503-L506 HydrophobicContact CG2-CB 3.82Å; I503-L506 HydrophobicContact CG2-CD1 4.11Å; I503-L506 HydrophobicContact CG2-CG 4.43Å; I503-L506 WeakPolarHBondContact O-CA 3.47Å; I503-L506 PolarHBondContact O-N 2.96Å; E504-L506 PolarHBondContact O-N 3.28Å; E504-L506 VanDerWaalsContact O-N 3.13Å; L506-E508 PolarHBondContact O-N 3.11Å; L506-Q509 WeakPolarHBondContact O-CB 3.42Å; L506-Q509 PolarHBondContact O-N 3.05Å; L506-I546 HydrophobicContact CD1-CG2 4.45Å; L506-I546 HydrophobicContact CD2-CG1 4.42Å; L506-E549 HydrophobicContact CD1-CB 4.44Å; L506-E549 HydrophobicContact CD1-CG 4.16Å; L506-L550 HydrophobicContact CD1-CD2 4.24Å
507	L	82.2	Confident	79.5	Confident	31 Å²	31	61.5 Å²	61.5	16%	0.162	31%	0.313	C	S	.	.	H	α-helix	trans	-66.1	-26.2	176.6	-74.8	169.6	0	0	0	112.6	R455 R500 I503 E504 Q509 D510	R455-L507 HydrophobicContact CG-CD2 4.43Å; R500-L507 HydrophobicContact CB-CD1 4.46Å; R500-L507 HydrophobicContact CG-CD1 3.99Å; I503-L507 HydrophobicContact CB-CD1 4.48Å; I503-L507 HydrophobicContact CG2-CD1 4.45Å; I503-L507 HydrophobicContact CG2-CG 4.04Å; I503-L507 PolarHBondContact O-N 2.99Å; E504-L507 PolarHBondContact O-N 3.39Å; L507-Q509 PolarHBondContact O-N 3.28Å; L507-D510 WeakPolarHBondContact O-CB 2.98Å; L507-D510 PolarHBondContact O-N 3.34Å
508	E	77.4	Confident	80.1	Confident	73 Å²	73	57.6 Å²	57.6	34%	0.341	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-14.7	175.5	-72.8	177.5	149.7	0	0	114.3	R310 E504 L506 D510	R310-E508 WeakPolarHBondContact CD-OE2 3.29Å; R310-E508 IonicContact CZ-OE1 3.71Å; R310-E508 VanDerWaalsContact CZ-OE1 3.28Å; R310-E508 IonicContact CZ-OE2 3.84Å; R310-E508 IonicContact NE-OE2 3.52Å; R310-E508 PolarHBondContact NE-OE2 2.69Å; R310-E508 IonicContact NH1-OE1 2.58Å; R310-E508 PolarHBondContact NH1-OE1 3.14Å; R310-E508 IonicContact NH1-OE2 2.72Å; R310-E508 PolarHBondContact NH1-OE2 3.2Å; R310-E508 VanDerWaalsContact NH2-CD 3.31Å; R310-E508 IonicContact NH2-OE1 2.69Å; R310-E508 PolarHBondContact NH2-OE1 3.07Å; R310-E508 IonicContact NH2-OE2 3.31Å; R310-E508 PolarHBondContact NH2-OE2 3.12Å; E504-E508 VanDerWaalsContact O-CG 3.28Å; E504-E508 WeakPolarHBondContact O-CG 3.13Å; E504-E508 PolarHBondContact O-N 3.21Å; E504-E508 VanDerWaalsContact O-N 3.09Å; L506-E508 PolarHBondContact O-N 3.11Å; E508-D510 VanDerWaalsContact C-N 3.32Å
509	Q	77.4	Confident	80.9	Confident	37 Å²	37	53.5 Å²	53.5	17%	0.173	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-22.3	174.5	-59.7	172.7	30.9	0	0	112.4	H312 P453 L506 L507 I546	H312-Q509 HydrophobicContact CB-CG 4.15Å; H312-Q509 PolarHBondContact CD2-NE2 3.12Å; H312-Q509 PolarHBondContact CE1-NE2 3.03Å; H312-Q509 PolarHBondContact ND1-NE2 2.82Å; H312-Q509 PolarHBondContact NE2-NE2 3.49Å; P453-Q509 HydrophobicContact CG-CB 4.31Å; L506-Q509 WeakPolarHBondContact O-CB 3.42Å; L506-Q509 PolarHBondContact O-N 3.05Å; L507-Q509 PolarHBondContact O-N 3.28Å; Q509-I546 VanDerWaalsContact OE1-CD1 3.3Å
510	D	84.6	Confident	81.7	Confident	16 Å²	16	53.4 Å²	53.4	9%	0.086	28%	0.282	C	S	.	.	S	Bend	trans	-76.1	145.7	-178.7	-85.4	17.8	0	0	0	110.3	Q451 W452 P453 C454 R455 L507 E508	Q451-D510 WeakPolarHBondContact O-CA 3.38Å; W452-D510 VanDerWaalsContact CA-CG 3.49Å; W452-D510 VanDerWaalsContact CA-OD1 3.24Å; W452-D510 WeakPolarHBondContact CA-OD1 3.43Å; P453-D510 WeakPolarHBondContact CD-OD1 3.26Å; P453-D510 VanDerWaalsContact N-OD1 3.08Å; C454-D510 VanDerWaalsContact CB-OD1 3.3Å; C454-D510 WeakPolarHBondContact CB-OD1 3.31Å; C454-D510 PolarHBondContact N-OD1 3.49Å; R455-D510 VanDerWaalsContact CB-OD2 3.22Å; R455-D510 WeakPolarHBondContact CB-OD2 3.32Å; R455-D510 WeakPolarHBondContact CD-OD2 3.48Å; R455-D510 WeakPolarHBondContact CG-OD2 3.39Å; R455-D510 PolarHBondContact N-OD2 3.41Å; R455-D510 IonicContact NE-OD2 2.68Å; R455-D510 IonicContact NH1-OD2 3.4Å; L507-D510 WeakPolarHBondContact O-CB 2.98Å; L507-D510 PolarHBondContact O-N 3.34Å; E508-D510 VanDerWaalsContact C-N 3.32Å
511	G	81.3	Confident	82.3	Confident	22 Å²	22	51.5 Å²	51.5	23%	0.227	28%	0.278	C	S	.	.			trans	-65.9	-170.3	168.9	0	0	0	0	0	112.8	Q451 W452 R455	Q451-G511 PolarHBondContact O-N 3.27Å; W452-G511 VanDerWaalsContact NE1-C 3.27Å; W452-G511 PolarHBondContact NE1-O 3.04Å; R455-G511 PolarHBondContact NH1-O 3.31Å
512	D	85.4	Confident	82.8	Confident	82 Å²	82	47.8 Å²	47.8	44%	0.439	25%	0.254	S	S	.	.			trans	-50.3	127.3	177.2	-177.1	-52.9	0	0	0	111.8	W452 E514 V515 F516	W452-D512 PolarHBondContact NE1-O 3.39Å; D512-E514 WeakPolarHBondContact OD1-CA 3.39Å; D512-E514 WeakPolarHBondContact OD1-CB 3.33Å; D512-E514 PolarHBondContact OD1-N 2.8Å; D512-V515 HydrophobicContact CB-CB 4.06Å; D512-V515 HydrophobicContact CB-CG2 3.79Å; D512-V515 PolarHBondContact OD1-N 3.08Å; D512-F516 PolarHBondContact O-N 2.95Å
513	P	85	Confident	83	Confident	52 Å²	52	51.5 Å²	51.5	34%	0.338	27%	0.274	S	S	.	.	H	α-helix	trans	-67.1	-35.8	179.5	15.1	-15.9	0	0	0	113.8	V515 F516 E517	P513-V515 VanDerWaalsContact C-N 3.35Å; P513-F516 WeakPolarHBondContact O-CB 3.46Å; P513-F516 PolarHBondContact O-N 2.91Å; P513-E517 WeakPolarHBondContact O-CG 3.36Å; P513-E517 PolarHBondContact O-N 2.96Å
514	E	86.3	Confident	82.7	Confident	131 Å²	131	56.3 Å²	56.3	61%	0.612	30%	0.296	S	S	*	.	H	α-helix	trans	-67.2	-39.6	179	-67.8	73.8	-165	0	0	110.8	D512 F516 E517 A518	D512-E514 WeakPolarHBondContact OD1-CA 3.39Å; D512-E514 WeakPolarHBondContact OD1-CB 3.33Å; D512-E514 PolarHBondContact OD1-N 2.8Å; E514-F516 VanDerWaalsContact C-N 3.33Å; E514-E517 PolarHBondContact O-N 3.5Å; E514-A518 WeakPolarHBondContact O-CB 3.49Å; E514-A518 PolarHBondContact O-N 3.04Å
515	V	87.5	Confident	82.7	Confident	43 Å²	43	52 Å²	52	26%	0.261	28%	0.276	S	S	.	.	H	α-helix	trans	-65.8	-36.8	174.7	-179.3	0	0	0	0	111.3	Y407 W452 D512 P513 A518 L519	Y407-V515 HydrophobicContact CD1-CG1 3.73Å; Y407-V515 HydrophobicContact CE1-CG1 4.49Å; W452-V515 HydrophobicContact CH2-CG1 3.82Å; W452-V515 HydrophobicContact CZ2-CB 3.96Å; W452-V515 HydrophobicContact CZ2-CG1 3.7Å; D512-V515 HydrophobicContact CB-CB 4.06Å; D512-V515 HydrophobicContact CB-CG2 3.79Å; D512-V515 PolarHBondContact OD1-N 3.08Å; P513-V515 VanDerWaalsContact C-N 3.35Å; V515-A518 PolarHBondContact O-N 3.48Å; V515-L519 PolarHBondContact O-N 3.43Å
516	F	89.4	Confident	83	Confident	1 Å²	1	53.8 Å²	53.8	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-62	-47.1	172.8	173.9	-100.5	0	0	0	112.2	L448 W452 R455 I459 F489 D512 P513 E514 A518 L519 L520	L448-F516 HydrophobicContact CD1-CD2 3.82Å; L448-F516 HydrophobicContact CD1-CE2 3.51Å; W452-F516 HydrophobicContact CB-CD2 3.58Å; W452-F516 HydrophobicContact CB-CE2 3.86Å; W452-F516 AromaticContact CD1-CD2 3.97Å; W452-F516 HydrophobicContact CD2-CB 3.94Å; W452-F516 AromaticContact CD2-CD2 3.63Å; W452-F516 HydrophobicContact CD2-CD2 3.63Å; W452-F516 HydrophobicContact CD2-CG 4.27Å; W452-F516 AromaticContact CE3-CD2 3.99Å; W452-F516 HydrophobicContact CE3-CD2 3.99Å; W452-F516 HydrophobicContact CG-CB 4.04Å; W452-F516 AromaticContact CG-CD2 3.44Å; W452-F516 HydrophobicContact CG-CD2 3.44Å; W452-F516 VanDerWaalsContact CG-CD2 3.44Å; W452-F516 HydrophobicContact CG-CE2 4.23Å; W452-F516 HydrophobicContact CG-CG 4.11Å; W452-F516 HydrophobicContact CZ2-CB 4.16Å; R455-F516 HydrophobicContact CB-CD2 4.45Å; R455-F516 HydrophobicContact CB-CE1 3.92Å; R455-F516 HydrophobicContact CB-CE2 3.82Å; R455-F516 HydrophobicContact CB-CZ 3.53Å; R455-F516 HydrophobicContact CG-CE1 4.41Å; R455-F516 HydrophobicContact CG-CZ 4.47Å; I459-F516 HydrophobicContact CD1-CZ 3.84Å; F489-F516 HydrophobicContact CD1-CE1 4.2Å; F489-F516 HydrophobicContact CD2-CE1 4.11Å; F489-F516 HydrophobicContact CE1-CD1 4.47Å; F489-F516 AromaticContact CE1-CE1 4Å; F489-F516 HydrophobicContact CE1-CE1 4Å; F489-F516 AromaticContact CE2-CE1 3.9Å; F489-F516 HydrophobicContact CE2-CE1 3.9Å; F489-F516 HydrophobicContact CG-CE1 4.25Å; F489-F516 HydrophobicContact CZ-CD1 4.41Å; F489-F516 AromaticContact CZ-CE1 3.84Å; F489-F516 HydrophobicContact CZ-CE1 3.84Å; D512-F516 PolarHBondContact O-N 2.95Å; P513-F516 WeakPolarHBondContact O-CB 3.46Å; P513-F516 PolarHBondContact O-N 2.91Å; E514-F516 VanDerWaalsContact C-N 3.33Å; F516-A518 VanDerWaalsContact C-N 3.3Å; F516-A518 PolarHBondContact O-N 3.46Å; F516-L519 PolarHBondContact O-N 3.37Å; F516-L520 HydrophobicContact CD1-CD1 4.16Å; F516-L520 HydrophobicContact CE1-CD1 3.48Å; F516-L520 VanDerWaalsContact CE1-CD1 3.48Å; F516-L520 HydrophobicContact CE1-CG 4.43Å; F516-L520 HydrophobicContact CE2-CD1 4.1Å; F516-L520 HydrophobicContact CE2-CG 4.48Å; F516-L520 HydrophobicContact CZ-CD1 3.45Å; F516-L520 VanDerWaalsContact CZ-CD1 3.45Å; F516-L520 HydrophobicContact CZ-CG 4.3Å; F516-L520 PolarHBondContact O-N 2.98Å; F516-L520 VanDerWaalsContact O-N 3.12Å
517	E	88	Confident	83.2	Confident	48 Å²	48	53.9 Å²	53.9	22%	0.224	28%	0.282	C	S	.	.	H	α-helix	trans	-64.8	-37.1	177.3	-67.7	-157.8	-178.9	0	0	112	W486 P513 E514 L520 K521	W486-E517 HydrophobicContact CH2-CB 4.49Å; W486-E517 HydrophobicContact CH2-CG 4.24Å; W486-E517 WeakPolarHBondContact CH2-OE2 3.44Å; W486-E517 HydrophobicContact CZ3-CB 4Å; W486-E517 HydrophobicContact CZ3-CG 3.83Å; P513-E517 WeakPolarHBondContact O-CG 3.36Å; P513-E517 PolarHBondContact O-N 2.96Å; E514-E517 PolarHBondContact O-N 3.5Å; E517-L520 PolarHBondContact O-N 2.69Å; E517-K521 WeakPolarHBondContact O-CB 3.38Å; E517-K521 VanDerWaalsContact O-CG 3.3Å; E517-K521 WeakPolarHBondContact O-CG 3.39Å; E517-K521 PolarHBondContact O-N 2.76Å; E517-K521 VanDerWaalsContact O-N 3.16Å; E517-K521 IonicContact OE2-NZ 3.64Å; E517-K521 PolarHBondContact OE2-NZ 2.95Å
518	A	87.5	Confident	83.3	Confident	45 Å²	45	53.8 Å²	53.8	37%	0.372	28%	0.283	S	S	.	.	H	α-helix	trans	-61.9	-45.9	176	0	0	0	0	0	111.2	Y407 E514 V515 F516 L520 K521 D522	Y407-A518 HydrophobicContact CE1-CB 4.13Å; E514-A518 WeakPolarHBondContact O-CB 3.49Å; E514-A518 PolarHBondContact O-N 3.04Å; V515-A518 PolarHBondContact O-N 3.48Å; F516-A518 VanDerWaalsContact C-N 3.3Å; F516-A518 PolarHBondContact O-N 3.46Å; A518-L520 PolarHBondContact O-N 3.19Å; A518-K521 PolarHBondContact O-N 3.45Å; A518-D522 PolarHBondContact O-N 3.41Å; A518-D522 VanDerWaalsContact O-N 3.14Å
519	L	87.2	Confident	83.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.7	-43.3	178.2	-179.3	64	0	0	0	112.2	Y407 L448 W452 V515 F516 K521 D522 F525 F527	Y407-L519 HydrophobicContact CD1-CB 3.86Å; Y407-L519 HydrophobicContact CD1-CD1 4.17Å; Y407-L519 HydrophobicContact CD2-CD1 3.77Å; Y407-L519 HydrophobicContact CE1-CB 3.85Å; Y407-L519 HydrophobicContact CE1-CD1 4.29Å; Y407-L519 HydrophobicContact CE2-CD1 3.88Å; Y407-L519 HydrophobicContact CG-CB 4.42Å; Y407-L519 HydrophobicContact CG-CD1 3.92Å; L448-L519 HydrophobicContact CB-CD2 4.43Å; L448-L519 HydrophobicContact CD1-CD2 4.18Å; W452-L519 HydrophobicContact CE3-CD2 4.34Å; W452-L519 HydrophobicContact CH2-CD2 4.28Å; W452-L519 HydrophobicContact CZ3-CD2 3.57Å; V515-L519 PolarHBondContact O-N 3.43Å; F516-L519 PolarHBondContact O-N 3.37Å; L519-K521 VanDerWaalsContact C-N 3.28Å; L519-K521 PolarHBondContact O-N 2.81Å; L519-D522 WeakPolarHBondContact O-CB 3.43Å; L519-D522 PolarHBondContact O-N 3.33Å; L519-F525 HydrophobicContact CD1-CD2 3.85Å; L519-F525 HydrophobicContact CD1-CE2 3.88Å; L519-F527 HydrophobicContact CD1-CE2 4.3Å; L519-F527 HydrophobicContact CD1-CZ 4.32Å; L519-F527 HydrophobicContact CD2-CZ 4.48Å; L519-F527 HydrophobicContact CG-CE2 4.08Å; L519-F527 HydrophobicContact CG-CZ 4.11Å; L519-F527 WeakPolarHBondContact O-CE2 3.38Å
520	L	86.3	Confident	83.7	Confident	11 Å²	11	55 Å²	55	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-71.3	-21.3	-179.7	-72.4	-175.9	0	0	0	114.1	L448 I459 L485 W486 F516 E517 A518 F527	L448-L520 HydrophobicContact CD1-CD2 4.28Å; L448-L520 HydrophobicContact CD2-CD2 4.23Å; I459-L520 HydrophobicContact CD1-CD1 4.02Å; L485-L520 HydrophobicContact CB-CD2 4.1Å; L485-L520 HydrophobicContact CD1-CD2 4.31Å; W486-L520 HydrophobicContact CB-CB 4.38Å; W486-L520 HydrophobicContact CE3-CB 4.12Å; W486-L520 HydrophobicContact CE3-CD1 4.49Å; F516-L520 HydrophobicContact CD1-CD1 4.16Å; F516-L520 HydrophobicContact CE1-CD1 3.48Å; F516-L520 VanDerWaalsContact CE1-CD1 3.48Å; F516-L520 HydrophobicContact CE1-CG 4.43Å; F516-L520 HydrophobicContact CE2-CD1 4.1Å; F516-L520 HydrophobicContact CE2-CG 4.48Å; F516-L520 HydrophobicContact CZ-CD1 3.45Å; F516-L520 VanDerWaalsContact CZ-CD1 3.45Å; F516-L520 HydrophobicContact CZ-CG 4.3Å; F516-L520 PolarHBondContact O-N 2.98Å; F516-L520 VanDerWaalsContact O-N 3.12Å; E517-L520 PolarHBondContact O-N 2.69Å; A518-L520 PolarHBondContact O-N 3.19Å; L520-F527 HydrophobicContact CD2-CD2 4.12Å; L520-F527 HydrophobicContact CD2-CE2 4.46Å; L520-F527 HydrophobicContact CD2-CG 4.16Å
521	K	86	Confident	83.5	Confident	99 Å²	99	55.1 Å²	55.1	43%	0.43	29%	0.287	S	S	.	.	H	α-helix	trans	-93.2	-6.6	176.9	-72.7	171.9	-174.5	152.4	0	113	W486 E517 A518 L519 D523	W486-K521 HydrophobicContact CD2-CG 3.88Å; W486-K521 HydrophobicContact CE3-CG 4.09Å; W486-K521 HydrophobicContact CG-CG 4.3Å; W486-K521 HydrophobicContact CH2-CD 4.46Å; W486-K521 VanDerWaalsContact CH2-NZ 3.35Å; W486-K521 HydrophobicContact CZ2-CD 4.34Å; W486-K521 HydrophobicContact CZ2-CG 4.5Å; W486-K521 HydrophobicContact CZ3-CG 4.48Å; E517-K521 WeakPolarHBondContact O-CB 3.38Å; E517-K521 VanDerWaalsContact O-CG 3.3Å; E517-K521 WeakPolarHBondContact O-CG 3.39Å; E517-K521 PolarHBondContact O-N 2.76Å; E517-K521 VanDerWaalsContact O-N 3.16Å; E517-K521 IonicContact OE2-NZ 3.64Å; E517-K521 PolarHBondContact OE2-NZ 2.95Å; A518-K521 PolarHBondContact O-N 3.45Å; L519-K521 VanDerWaalsContact C-N 3.28Å; L519-K521 PolarHBondContact O-N 2.81Å; K521-D523 PolarHBondContact O-N 3.05Å
522	D	83.4	Confident	83.6	Confident	33 Å²	33	54.2 Å²	54.2	18%	0.176	28%	0.277	C	S	.	.			trans	-71.5	113.9	-176.7	-161.3	-25.9	0	0	0	109.6	Y407 A518 L519 E524 F525	Y407-D522 PolarHBondContact OH-OD2 3.26Å; A518-D522 PolarHBondContact O-N 3.41Å; A518-D522 VanDerWaalsContact O-N 3.14Å; L519-D522 WeakPolarHBondContact O-CB 3.43Å; L519-D522 PolarHBondContact O-N 3.33Å; D522-E524 PolarHBondContact O-N 3.18Å; D522-E524 VanDerWaalsContact O-N 3.14Å; D522-E524 VanDerWaalsContact OD1-CB 3.29Å; D522-E524 WeakPolarHBondContact OD1-CB 3.4Å; D522-E524 WeakPolarHBondContact OD1-CG 3.22Å; D522-E524 PolarHBondContact OD1-N 3.43Å; D522-E524 VanDerWaalsContact OD1-N 3.08Å; D522-F525 HydrophobicContact CB-CD2 4Å; D522-F525 PolarHBondContact O-N 3.34Å
523	D	74.6	Confident	83.2	Confident	167 Å²	167	54 Å²	54	89%	0.893	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-11.3	179.1	-64.9	-38.7	0	0	0	112.1	K521 F525	K521-D523 PolarHBondContact O-N 3.05Å; D523-F525 VanDerWaalsContact C-N 3.27Å; D523-F525 PolarHBondContact O-N 2.79Å
524	E	73.1	Confident	82.9	Confident	102 Å²	102	53.2 Å²	53.2	48%	0.477	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-16	174.7	-64.1	-170.7	-163.2	0	0	113.6	K403 D522	K403-E524 VanDerWaalsContact CD-OE2 3.29Å; K403-E524 WeakPolarHBondContact CD-OE2 3.39Å; K403-E524 VanDerWaalsContact CE-OE2 3.25Å; K403-E524 WeakPolarHBondContact CE-OE2 3.49Å; K403-E524 IonicContact NZ-OE2 2.77Å; K403-E524 PolarHBondContact NZ-OE2 3.4Å; D522-E524 PolarHBondContact O-N 3.18Å; D522-E524 VanDerWaalsContact O-N 3.14Å; D522-E524 VanDerWaalsContact OD1-CB 3.29Å; D522-E524 WeakPolarHBondContact OD1-CB 3.4Å; D522-E524 WeakPolarHBondContact OD1-CG 3.22Å; D522-E524 PolarHBondContact OD1-N 3.43Å; D522-E524 VanDerWaalsContact OD1-N 3.08Å
525	F	79.7	Confident	82.4	Confident	11 Å²	11	47 Å²	47	5%	0.048	24%	0.237	C	C	.	.	S	Bend	trans	-123.9	132.4	-176.5	-58.2	-64.5	0	0	0	113.2	K403 L404 Y407 D441 A444 L519 D522 D523 F527	K403-F525 HydrophobicContact CB-CZ 4.34Å; L404-F525 HydrophobicContact CD2-CE1 4.22Å; L404-F525 HydrophobicContact CD2-CE2 4.4Å; L404-F525 HydrophobicContact CD2-CZ 3.74Å; L404-F525 HydrophobicContact CG-CZ 4.35Å; Y407-F525 HydrophobicContact CE2-CE2 4.14Å; D441-F525 WeakPolarHBondContact OD1-CA 3.28Å; A444-F525 HydrophobicContact CB-CB 4.46Å; A444-F525 HydrophobicContact CB-CD1 3.46Å; A444-F525 VanDerWaalsContact CB-CD1 3.46Å; A444-F525 HydrophobicContact CB-CD2 4.35Å; A444-F525 HydrophobicContact CB-CE1 3.67Å; A444-F525 HydrophobicContact CB-CG 3.84Å; A444-F525 HydrophobicContact CB-CZ 4.21Å; L519-F525 HydrophobicContact CD1-CD2 3.85Å; L519-F525 HydrophobicContact CD1-CE2 3.88Å; D522-F525 HydrophobicContact CB-CD2 4Å; D522-F525 PolarHBondContact O-N 3.34Å; D523-F525 VanDerWaalsContact C-N 3.27Å; D523-F525 PolarHBondContact O-N 2.79Å; F525-F527 HydrophobicContact CB-CD2 3.99Å; F525-F527 HydrophobicContact CB-CE2 3.53Å; F525-F527 HydrophobicContact CB-CZ 4.04Å; F525-F527 HydrophobicContact CD2-CE2 4.4Å; F525-F527 HydrophobicContact CG-CE2 4.26Å; F525-F527 PolarHBondContact O-N 2.79Å; F525-F527 VanDerWaalsContact O-N 3.16Å
526	E	81.1	Confident	81.8	Confident	120 Å²	120	48.3 Å²	48.3	56%	0.561	24%	0.24	S	C	*	.			trans	-89.1	83.6	-178.3	-68.6	-166	174.5	0	0	113.3	D441 T528 N531	D441-E526 PolarHBondContact OD1-N 3.34Å; E526-T528 PolarHBondContact O-N 2.76Å; E526-N531 PolarHBondContact O-ND2 2.85Å
527	F	83.3	Confident	81	Confident	7 Å²	7	52.3 Å²	52.3	3%	0.031	26%	0.264	C	S	.	.			trans	-86.1	70.6	174.3	-66.6	-63.1	0	0	0	113.3	A444 W445 L448 T484 L485 L519 L520 F525	A444-F527 HydrophobicContact CB-CZ 4Å; W445-F527 AromaticContact CD2-CD1 3.96Å; W445-F527 HydrophobicContact CD2-CD1 3.96Å; W445-F527 AromaticContact CD2-CE1 3.98Å; W445-F527 HydrophobicContact CD2-CE1 3.98Å; W445-F527 AromaticContact CE2-CD1 3.62Å; W445-F527 HydrophobicContact CE3-CD1 4.3Å; W445-F527 HydrophobicContact CE3-CE1 4.43Å; W445-F527 HydrophobicContact CG-CE1 4.2Å; W445-F527 HydrophobicContact CH2-CD1 4.13Å; W445-F527 HydrophobicContact CZ2-CB 4.48Å; W445-F527 AromaticContact CZ2-CD1 3.73Å; W445-F527 HydrophobicContact CZ2-CD1 3.73Å; W445-F527 HydrophobicContact CZ3-CD1 4.38Å; W445-F527 AromaticContact NE1-CD1 3.97Å; L448-F527 HydrophobicContact CD2-CD1 4.21Å; L448-F527 HydrophobicContact CD2-CE1 3.89Å; T484-F527 CarbonylContact C-O 3.4Å; T484-F527 VanDerWaalsContact CA-O 3.3Å; T484-F527 WeakPolarHBondContact CA-O 3.37Å; L485-F527 HydrophobicContact CB-CB 4.14Å; L485-F527 HydrophobicContact CD1-CB 4.03Å; L485-F527 HydrophobicContact CD1-CD1 4.07Å; L485-F527 HydrophobicContact CD1-CG 4.36Å; L485-F527 HydrophobicContact CG-CB 3.95Å; L485-F527 PolarHBondContact N-O 3.48Å; L519-F527 HydrophobicContact CD1-CE2 4.3Å; L519-F527 HydrophobicContact CD1-CZ 4.32Å; L519-F527 HydrophobicContact CD2-CZ 4.48Å; L519-F527 HydrophobicContact CG-CE2 4.08Å; L519-F527 HydrophobicContact CG-CZ 4.11Å; L519-F527 WeakPolarHBondContact O-CE2 3.38Å; L520-F527 HydrophobicContact CD2-CD2 4.12Å; L520-F527 HydrophobicContact CD2-CE2 4.46Å; L520-F527 HydrophobicContact CD2-CG 4.16Å; F525-F527 HydrophobicContact CB-CD2 3.99Å; F525-F527 HydrophobicContact CB-CE2 3.53Å; F525-F527 HydrophobicContact CB-CZ 4.04Å; F525-F527 HydrophobicContact CD2-CE2 4.4Å; F525-F527 HydrophobicContact CG-CE2 4.26Å; F525-F527 PolarHBondContact O-N 2.79Å; F525-F527 VanDerWaalsContact O-N 3.16Å
528	T	84.6	Confident	80	Confident	30 Å²	30	50 Å²	50	18%	0.184	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-99.9	156.8	177.7	63.1	0	0	0	0	113.3	E526 K530 N531 L532	E526-T528 PolarHBondContact O-N 2.76Å; T528-K530 VanDerWaalsContact C-N 3.26Å; T528-K530 PolarHBondContact O-N 3.09Å; T528-N531 PolarHBondContact O-N 2.79Å; T528-N531 WeakPolarHBondContact OG1-CB 3.32Å; T528-N531 VanDerWaalsContact OG1-CG 3.29Å; T528-N531 PolarHBondContact OG1-N 3.18Å; T528-N531 PolarHBondContact OG1-ND2 2.98Å; T528-L532 PolarHBondContact O-N 3.41Å
529	I	83.2	Confident	79.3	Confident	10 Å²	10	48.6 Å²	48.6	5%	0.051	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-33.8	173.5	-66.6	177.8	0	0	0	111.5	V463 K483 V488 L532 E533	V463-I529 HydrophobicContact CG1-CG2 4.17Å; V463-I529 HydrophobicContact CG2-CD1 4.37Å; V463-I529 HydrophobicContact CG2-CG1 4.45Å; K483-I529 HydrophobicContact CB-CD1 3.66Å; K483-I529 HydrophobicContact CB-CG1 4.34Å; K483-I529 HydrophobicContact CD-CD1 4.36Å; K483-I529 WeakPolarHBondContact O-CG1 3.49Å; K483-I529 PolarHBondContact O-N 3.29Å; V488-I529 HydrophobicContact CG2-CD1 4.11Å; I529-L532 VanDerWaalsContact O-CB 3.31Å; I529-L532 WeakPolarHBondContact O-CB 3.34Å; I529-L532 PolarHBondContact O-N 2.72Å; I529-E533 PolarHBondContact O-N 3.14Å
530	K	80.8	Confident	78.4	Confident	126 Å²	126	49 Å²	49	55%	0.548	24%	0.242	S	C	.	.	H	α-helix	trans	-59.4	-47.9	174.3	-174.8	-176.9	174.4	-169.3	0	111.9	D481 T528 L532 E533	D481-K530 HydrophobicContact CB-CB 4.45Å; T528-K530 VanDerWaalsContact C-N 3.26Å; T528-K530 PolarHBondContact O-N 3.09Å; K530-L532 VanDerWaalsContact C-N 3.32Å; K530-L532 PolarHBondContact O-N 2.66Å; K530-E533 PolarHBondContact O-N 2.94Å
531	N	80.5	Confident	77.6	Confident	17 Å²	17	49.5 Å²	49.5	9%	0.091	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-39.7	176.9	-71.4	-12.7	0	0	0	110.5	W445 E526 T528 E533 I534 F535	W445-N531 HydrophobicContact CZ2-CB 3.76Å; E526-N531 PolarHBondContact O-ND2 2.85Å; T528-N531 PolarHBondContact O-N 2.79Å; T528-N531 WeakPolarHBondContact OG1-CB 3.32Å; T528-N531 VanDerWaalsContact OG1-CG 3.29Å; T528-N531 PolarHBondContact OG1-N 3.18Å; T528-N531 PolarHBondContact OG1-ND2 2.98Å; N531-E533 VanDerWaalsContact C-N 3.28Å; N531-E533 PolarHBondContact O-N 3.21Å; N531-I534 WeakPolarHBondContact O-CB 3.35Å; N531-I534 PolarHBondContact O-N 3.2Å; N531-F535 HydrophobicContact CB-CD2 4.14Å; N531-F535 HydrophobicContact CB-CE2 4.2Å; N531-F535 WeakPolarHBondContact O-CD2 3.45Å; N531-F535 PolarHBondContact O-N 2.83Å
532	L	82.5	Confident	76.7	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-53.8	-41.3	177	-174.9	69.6	0	0	0	112.8	W445 F456 L460 V463 L485 T528 I529 K530 I534 F535 Q536	W445-L532 HydrophobicContact CH2-CB 3.88Å; W445-L532 HydrophobicContact CH2-CD1 3.92Å; W445-L532 HydrophobicContact CZ3-CB 4.33Å; W445-L532 HydrophobicContact CZ3-CD1 3.53Å; F456-L532 HydrophobicContact CE2-CD1 3.92Å; F456-L532 HydrophobicContact CZ-CD1 3.88Å; L460-L532 HydrophobicContact CD1-CD1 4.14Å; L460-L532 HydrophobicContact CD1-CD2 3.95Å; L460-L532 HydrophobicContact CD1-CG 4.13Å; V463-L532 HydrophobicContact CB-CD2 4.25Å; V463-L532 HydrophobicContact CG1-CD2 4.16Å; V463-L532 HydrophobicContact CG2-CD2 4.06Å; L485-L532 HydrophobicContact CD2-CD1 4.47Å; L485-L532 HydrophobicContact CD2-CD2 4.04Å; T528-L532 PolarHBondContact O-N 3.41Å; I529-L532 VanDerWaalsContact O-CB 3.31Å; I529-L532 WeakPolarHBondContact O-CB 3.34Å; I529-L532 PolarHBondContact O-N 2.72Å; K530-L532 VanDerWaalsContact C-N 3.32Å; K530-L532 PolarHBondContact O-N 2.66Å; L532-I534 VanDerWaalsContact C-N 3.32Å; L532-I534 PolarHBondContact O-N 3.39Å; L532-F535 PolarHBondContact O-N 3.09Å; L532-Q536 VanDerWaalsContact O-CB 3.25Å; L532-Q536 WeakPolarHBondContact O-CB 3.45Å; L532-Q536 PolarHBondContact O-N 3.31Å
533	E	77.8	Confident	76.2	Confident	79 Å²	79	46.8 Å²	46.8	37%	0.369	24%	0.235	S	C	.	.	H	α-helix	trans	-66.6	-33.1	178.6	-66.1	-170.3	164.3	0	0	113.3	K467 I529 K530 N531	K467-E533 IonicContact NZ-OE1 2.87Å; K467-E533 PolarHBondContact NZ-OE1 3.35Å; I529-E533 PolarHBondContact O-N 3.14Å; K530-E533 PolarHBondContact O-N 2.94Å; N531-E533 VanDerWaalsContact C-N 3.28Å; N531-E533 PolarHBondContact O-N 3.21Å
534	I	77.4	Confident	76.1	Confident	35 Å²	35	40.7 Å²	40.7	18%	0.179	20%	0.201	C	C	.	.	H	α-helix	trans	-70	-50.8	175.3	-62.1	170.2	0	0	0	109	K434 N531 L532 Q536 V537 G538	K434-I534 HydrophobicContact CB-CG2 4.45Å; K434-I534 HydrophobicContact CD-CG2 4.01Å; N531-I534 WeakPolarHBondContact O-CB 3.35Å; N531-I534 PolarHBondContact O-N 3.2Å; L532-I534 VanDerWaalsContact C-N 3.32Å; L532-I534 PolarHBondContact O-N 3.39Å; I534-Q536 PolarHBondContact O-N 3.4Å; I534-V537 PolarHBondContact O-N 3.08Å; I534-G538 PolarHBondContact O-N 3.28Å
535	F	76.8	Confident	76.3	Confident	1 Å²	1	36.6 Å²	36.6	0%	0.004	18%	0.184	C	C	.	.	H	α-helix	trans	-65.4	-35.4	-178.8	-80.2	-71.9	0	0	0	112.7	M429 P437 T442 W445 N531 L532 V537 G538 M539	M429-F535 HydrophobicContact CE-CD1 3.11Å; M429-F535 HydrophobicContact CE-CE1 3.19Å; M429-F535 HydrophobicContact CE-CG 4.01Å; M429-F535 HydrophobicContact CE-CZ 4.16Å; M429-F535 HydrophobicContact SD-CE1 4.15Å; P437-F535 HydrophobicContact CB-CE2 4.02Å; P437-F535 HydrophobicContact CB-CZ 4.01Å; P437-F535 HydrophobicContact CG-CE2 3.57Å; P437-F535 HydrophobicContact CG-CZ 3.67Å; T442-F535 HydrophobicContact CG2-CE1 4.14Å; W445-F535 HydrophobicContact CB-CD1 3.91Å; W445-F535 HydrophobicContact CB-CD2 4.46Å; W445-F535 HydrophobicContact CB-CE1 3.88Å; W445-F535 HydrophobicContact CB-CE2 4.44Å; W445-F535 HydrophobicContact CB-CG 4.26Å; W445-F535 HydrophobicContact CB-CZ 4.18Å; W445-F535 AromaticContact CD1-CD2 3.68Å; W445-F535 AromaticContact CD1-CE2 3.2Å; W445-F535 AromaticContact CD1-CZ 3.43Å; W445-F535 VanDerWaalsContact CD1-CZ 3.43Å; W445-F535 AromaticContact CD2-CD2 3.67Å; W445-F535 HydrophobicContact CD2-CD2 3.67Å; W445-F535 HydrophobicContact CD2-CE2 4.02Å; W445-F535 HydrophobicContact CD2-CG 4.02Å; W445-F535 AromaticContact CE2-CD2 3.64Å; W445-F535 AromaticContact CE2-CE2 3.81Å; W445-F535 HydrophobicContact CE3-CB 4.4Å; W445-F535 HydrophobicContact CE3-CD2 4.3Å; W445-F535 HydrophobicContact CE3-CG 4.36Å; W445-F535 HydrophobicContact CG-CD1 4.06Å; W445-F535 AromaticContact CG-CD2 3.72Å; W445-F535 HydrophobicContact CG-CD2 3.72Å; W445-F535 HydrophobicContact CG-CE1 4.01Å; W445-F535 AromaticContact CG-CE2 3.68Å; W445-F535 HydrophobicContact CG-CE2 3.68Å; W445-F535 AromaticContact CG-CG 3.97Å; W445-F535 HydrophobicContact CG-CG 3.97Å; W445-F535 AromaticContact CG-CZ 3.85Å; W445-F535 HydrophobicContact CG-CZ 3.85Å; W445-F535 HydrophobicContact CZ2-CD2 4.22Å; W445-F535 AromaticContact NE1-CD2 3.71Å; W445-F535 AromaticContact NE1-CE2 3.36Å; N531-F535 HydrophobicContact CB-CD2 4.14Å; N531-F535 HydrophobicContact CB-CE2 4.2Å; N531-F535 WeakPolarHBondContact O-CD2 3.45Å; N531-F535 PolarHBondContact O-N 2.83Å; L532-F535 PolarHBondContact O-N 3.09Å; F535-V537 PolarHBondContact O-N 3.11Å; F535-V537 VanDerWaalsContact O-N 3.14Å; F535-G538 PolarHBondContact O-N 3.07Å; F535-G538 VanDerWaalsContact O-N 3.12Å; F535-M539 HydrophobicContact CB-CG 3.94Å; F535-M539 HydrophobicContact CD1-CG 3.78Å; F535-M539 HydrophobicContact CD1-SD 4.1Å; F535-M539 HydrophobicContact CG-CG 4.35Å; F535-M539 WeakPolarHBondContact O-CB 3.5Å; F535-M539 WeakPolarHBondContact O-CG 3.21Å; F535-M539 PolarHBondContact O-N 3.28Å
536	Q	75.1	Confident	76.3	Confident	70 Å²	70	36.3 Å²	36.3	33%	0.327	18%	0.183	S	C	.	.	H	α-helix	trans	-59.1	-30.2	178.4	-175.3	176.4	-2.1	0	0	113	L532 I534 L542 R547	L532-Q536 VanDerWaalsContact O-CB 3.25Å; L532-Q536 WeakPolarHBondContact O-CB 3.45Å; L532-Q536 PolarHBondContact O-N 3.31Å; I534-Q536 PolarHBondContact O-N 3.4Å; Q536-L542 HydrophobicContact CG-CD1 4.47Å; Q536-R547 VanDerWaalsContact NE2-NH1 3.1Å
537	V	71.8	Confident	76.3	Confident	84 Å²	84	31.3 Å²	31.3	51%	0.509	16%	0.159	S	C	.	.	H	α-helix	trans	-88.5	-29.3	178.7	-174.9	0	0	0	0	112	L432 I534 F535	L432-V537 HydrophobicContact CD1-CG1 3.88Å; I534-V537 PolarHBondContact O-N 3.08Å; F535-V537 PolarHBondContact O-N 3.11Å; F535-V537 VanDerWaalsContact O-N 3.14Å
538	G	66.6	Low	76.3	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-98.1	-18.7	-174.8	0	0	0	0	0	115.8	I534 F535	I534-G538 PolarHBondContact O-N 3.28Å; F535-G538 PolarHBondContact O-N 3.07Å; F535-G538 VanDerWaalsContact O-N 3.12Å
539	M	74	Confident	76.1	Confident	15 Å²	15	41 Å²	41	7%	0.074	20%	0.195	C	C	.	.			trans	-81.7	135.5	-176.1	-72.2	-121.9	-75.8	0	0	112.1	T425 W445 V446 A449 F456 F535 L542	T425-M539 HydrophobicContact CG2-CG 4.26Å; W445-M539 HydrophobicContact CB-CE 4.31Å; W445-M539 HydrophobicContact CB-SD 4.2Å; W445-M539 WeakPolarHBondContact O-CE 3.38Å; V446-M539 HydrophobicContact CG2-SD 3.89Å; A449-M539 HydrophobicContact CB-CE 3.64Å; F456-M539 HydrophobicContact CE1-CE 3.87Å; F456-M539 HydrophobicContact CZ-CE 4.21Å; F535-M539 HydrophobicContact CB-CG 3.94Å; F535-M539 HydrophobicContact CD1-CG 3.78Å; F535-M539 HydrophobicContact CD1-SD 4.1Å; F535-M539 HydrophobicContact CG-CG 4.35Å; F535-M539 WeakPolarHBondContact O-CB 3.5Å; F535-M539 WeakPolarHBondContact O-CG 3.21Å; F535-M539 PolarHBondContact O-N 3.28Å; M539-L542 HydrophobicContact CB-CD1 3.81Å; M539-L542 HydrophobicContact CB-CG 3.94Å; M539-L542 HydrophobicContact CE-CD2 4.45Å; M539-L542 HydrophobicContact CE-CG 4.48Å
540	V	67.8	Low	76.2	Confident	8 Å²	8	40.5 Å²	40.5	5%	0.048	19%	0.193	C	C	.	.	S	Bend	trans	-93.6	-34.4	-170.5	-176.9	0	0	0	0	111.2	A322 F323 V424 I428 L542	A322-V540 WeakPolarHBondContact O-CG1 3.42Å; F323-V540 WeakPolarHBondContact CA-O 3.49Å; F323-V540 HydrophobicContact CB-CG1 3.25Å; V424-V540 HydrophobicContact CB-CG2 4.05Å; V424-V540 HydrophobicContact CG1-CG1 4.29Å; V424-V540 HydrophobicContact CG1-CG2 3.65Å; I428-V540 HydrophobicContact CD1-CG2 3.36Å; V540-L542 VanDerWaalsContact C-N 3.32Å; V540-L542 PolarHBondContact O-N 3.34Å
541	N	69.1	Low	76.3	Confident	22 Å²	22	35.9 Å²	35.9	12%	0.118	18%	0.178	C	C	.	.			trans	-91.8	18.5	-175.3	-162.6	49.3	0	0	0	114.1	N450 D543	N450-N541 WeakPolarHBondContact CA-ND2 3.09Å; N450-N541 WeakPolarHBondContact OD1-CB 3.36Å; N450-N541 VanDerWaalsContact OD1-CG 3.25Å; N450-N541 PolarHBondContact OD1-ND2 2.83Å; N541-D543 PolarHBondContact O-N 3.48Å; N541-D543 VanDerWaalsContact O-N 3.12Å
542	L	68.6	Low	76.4	Confident	20 Å²	20	42 Å²	42	11%	0.105	20%	0.204	C	C	.	.			trans	-74.6	103.2	171.4	-76.8	172.2	0	0	0	109.1	T324 F456 L460 Q536 M539 V540 Q544	T324-L542 VanDerWaalsContact CG2-O 3.25Å; T324-L542 WeakPolarHBondContact CG2-O 3.45Å; T324-L542 PolarHBondContact OG1-O 2.94Å; F456-L542 HydrophobicContact CD1-CD2 3.98Å; F456-L542 HydrophobicContact CE1-CD2 3.44Å; F456-L542 VanDerWaalsContact CE1-CD2 3.44Å; F456-L542 HydrophobicContact CZ-CD2 4.38Å; L460-L542 HydrophobicContact CD2-CD2 4.26Å; Q536-L542 HydrophobicContact CG-CD1 4.47Å; M539-L542 HydrophobicContact CB-CD1 3.81Å; M539-L542 HydrophobicContact CB-CG 3.94Å; M539-L542 HydrophobicContact CE-CD2 4.45Å; M539-L542 HydrophobicContact CE-CG 4.48Å; V540-L542 VanDerWaalsContact C-N 3.32Å; V540-L542 PolarHBondContact O-N 3.34Å; L542-Q544 PolarHBondContact O-N 3.39Å
543	D	71.4	Confident	76.2	Confident	54 Å²	54	42.6 Å²	42.6	29%	0.289	21%	0.207	S	C	.	.			trans	-73	95.2	174.2	-166.1	-11.5	0	0	0	110.8	N541 S545 I546 R547	N541-D543 PolarHBondContact O-N 3.48Å; N541-D543 VanDerWaalsContact O-N 3.12Å; D543-S545 PolarHBondContact O-N 2.89Å; D543-S545 WeakPolarHBondContact OD1-CA 3.47Å; D543-S545 WeakPolarHBondContact OD1-CB 3.24Å; D543-S545 PolarHBondContact OD1-N 3.22Å; D543-S545 PolarHBondContact OD1-OG 2.52Å; D543-S545 PolarHBondContact OD2-OG 3.37Å; D543-I546 HydrophobicContact CB-CB 4.48Å; D543-I546 HydrophobicContact CB-CD1 3.95Å; D543-I546 HydrophobicContact CB-CG1 4.17Å; D543-I546 PolarHBondContact O-N 3.47Å; D543-R547 PolarHBondContact O-N 2.8Å
544	Q	73.4	Confident	76.4	Confident	39 Å²	39	39.2 Å²	39.2	18%	0.182	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-20.9	176.3	-171	63.5	30.7	0	0	112.6	L542 R548	L542-Q544 PolarHBondContact O-N 3.39Å; Q544-R548 HydrophobicContact CG-CG 4.46Å; Q544-R548 WeakPolarHBondContact O-CB 3.32Å; Q544-R548 VanDerWaalsContact O-CG 3.25Å; Q544-R548 WeakPolarHBondContact O-CG 3.46Å; Q544-R548 PolarHBondContact O-N 2.95Å
545	S	76.3	Confident	76.3	Confident	16 Å²	16	39.2 Å²	39.2	11%	0.112	20%	0.199	C	C	.	.	H	α-helix	trans	-71.6	-48.5	-179.4	73.5	0	0	0	0	112.1	D543 R547 R548 E549	D543-S545 PolarHBondContact O-N 2.89Å; D543-S545 WeakPolarHBondContact OD1-CA 3.47Å; D543-S545 WeakPolarHBondContact OD1-CB 3.24Å; D543-S545 PolarHBondContact OD1-N 3.22Å; D543-S545 PolarHBondContact OD1-OG 2.52Å; D543-S545 PolarHBondContact OD2-OG 3.37Å; S545-R547 VanDerWaalsContact C-N 3.26Å; S545-R547 PolarHBondContact O-N 3.45Å; S545-R548 PolarHBondContact O-N 3.2Å; S545-R548 VanDerWaalsContact O-N 3.1Å; S545-E549 PolarHBondContact O-N 2.75Å
546	I	79.6	Confident	76	Confident	5 Å²	5	41.6 Å²	41.6	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-54.4	-47.4	171.9	-63.7	174.9	0	0	0	109.4	P453 L506 Q509 D543 R548 E549 L550	P453-I546 HydrophobicContact CB-CD1 3.92Å; P453-I546 HydrophobicContact CG-CD1 4.38Å; L506-I546 HydrophobicContact CD1-CG2 4.45Å; L506-I546 HydrophobicContact CD2-CG1 4.42Å; Q509-I546 VanDerWaalsContact OE1-CD1 3.3Å; D543-I546 HydrophobicContact CB-CB 4.48Å; D543-I546 HydrophobicContact CB-CD1 3.95Å; D543-I546 HydrophobicContact CB-CG1 4.17Å; D543-I546 PolarHBondContact O-N 3.47Å; I546-R548 VanDerWaalsContact C-N 3.35Å; I546-R548 PolarHBondContact O-N 3.36Å; I546-E549 PolarHBondContact O-N 3.34Å; I546-L550 HydrophobicContact CG2-CD1 3.98Å; I546-L550 HydrophobicContact CG2-CG 4.37Å; I546-L550 WeakPolarHBondContact O-CG 3.31Å; I546-L550 PolarHBondContact O-N 2.86Å
547	R	82.4	Confident	75.6	Confident	16 Å²	16	39.4 Å²	39.4	6%	0.06	21%	0.206	C	C	.	.	H	α-helix	trans	-60.6	-41.1	178.8	-162.2	178.7	88.2	-173.7	10.5	113.1	L460 E464 Q536 D543 S545 E549 L550 A551	L460-R547 VanDerWaalsContact CD2-NH1 3.32Å; E464-R547 IonicContact OE1-NH2 3.41Å; E464-R547 IonicContact OE2-CZ 3.57Å; E464-R547 IonicContact OE2-NE 3.39Å; E464-R547 PolarHBondContact OE2-NE 3.48Å; E464-R547 IonicContact OE2-NH1 2.76Å; E464-R547 IonicContact OE2-NH2 3.52Å; E464-R547 PolarHBondContact OE2-NH2 3.42Å; Q536-R547 VanDerWaalsContact NE2-NH1 3.1Å; D543-R547 PolarHBondContact O-N 2.8Å; S545-R547 VanDerWaalsContact C-N 3.26Å; S545-R547 PolarHBondContact O-N 3.45Å; R547-E549 VanDerWaalsContact C-N 3.35Å; R547-L550 PolarHBondContact O-N 3.18Å; R547-A551 VanDerWaalsContact O-CB 3.3Å; R547-A551 WeakPolarHBondContact O-CB 3.39Å; R547-A551 PolarHBondContact O-N 3.43Å
548	R	82	Confident	75.3	Confident	154 Å²	154	39 Å²	39	58%	0.581	20%	0.195	S	C	*	.	H	α-helix	trans	-65.8	-38	177.6	-77.6	173	-173.7	167	8.1	112.2	Q544 S545 I546 A551 F552	Q544-R548 HydrophobicContact CG-CG 4.46Å; Q544-R548 WeakPolarHBondContact O-CB 3.32Å; Q544-R548 VanDerWaalsContact O-CG 3.25Å; Q544-R548 WeakPolarHBondContact O-CG 3.46Å; Q544-R548 PolarHBondContact O-N 2.95Å; S545-R548 PolarHBondContact O-N 3.2Å; S545-R548 VanDerWaalsContact O-N 3.1Å; I546-R548 VanDerWaalsContact C-N 3.35Å; I546-R548 PolarHBondContact O-N 3.36Å; R548-A551 PolarHBondContact O-N 3.32Å; R548-F552 WeakPolarHBondContact O-CB 3.38Å; R548-F552 PolarHBondContact O-N 2.79Å
549	E	80.8	Confident	74.8	Confident	85 Å²	85	44.7 Å²	44.7	40%	0.397	23%	0.225	S	C	.	.	H	α-helix	trans	-66.7	-45.8	176.3	-170.4	167.2	-173.9	0	0	110.9	L506 S545 I546 R547 A551 F552 I553	L506-E549 HydrophobicContact CD1-CB 4.44Å; L506-E549 HydrophobicContact CD1-CG 4.16Å; S545-E549 PolarHBondContact O-N 2.75Å; I546-E549 PolarHBondContact O-N 3.34Å; R547-E549 VanDerWaalsContact C-N 3.35Å; E549-A551 VanDerWaalsContact C-N 3.35Å; E549-A551 PolarHBondContact O-N 3.22Å; E549-F552 WeakPolarHBondContact O-CB 3.32Å; E549-F552 PolarHBondContact O-N 3.42Å; E549-I553 HydrophobicContact CG-CD1 4.06Å; E549-I553 VanDerWaalsContact O-CG1 3.32Å; E549-I553 WeakPolarHBondContact O-CG1 3.34Å; E549-I553 PolarHBondContact O-N 3.12Å
550	L	84.6	Confident	73.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.4	-43	172.5	-66.9	174.6	0	0	0	112.2	W458 I503 L506 I546 R547 F552 I553 R554	W458-L550 HydrophobicContact CB-CD1 4.31Å; W458-L550 HydrophobicContact CE3-CB 4.46Å; W458-L550 HydrophobicContact CE3-CD2 4.2Å; I503-L550 HydrophobicContact CD1-CD2 3.75Å; I503-L550 HydrophobicContact CG1-CD2 4.16Å; I503-L550 HydrophobicContact CG2-CD2 3.66Å; L506-L550 HydrophobicContact CD1-CD2 4.24Å; I546-L550 HydrophobicContact CG2-CD1 3.98Å; I546-L550 HydrophobicContact CG2-CG 4.37Å; I546-L550 WeakPolarHBondContact O-CG 3.31Å; I546-L550 PolarHBondContact O-N 2.86Å; R547-L550 PolarHBondContact O-N 3.18Å; L550-F552 VanDerWaalsContact C-N 3.32Å; L550-F552 PolarHBondContact O-N 3.33Å; L550-I553 PolarHBondContact O-N 3.04Å; L550-R554 WeakPolarHBondContact O-CB 3.31Å; L550-R554 PolarHBondContact O-N 3.36Å
551	A	84.2	Confident	73	Confident	30 Å²	30	54.3 Å²	54.3	25%	0.248	27%	0.273	C	S	.	.	H	α-helix	trans	-60	-43	175.4	0	0	0	0	0	111.9	Q461 R547 R548 E549 G555	Q461-A551 VanDerWaalsContact CD-CB 3.42Å; Q461-A551 HydrophobicContact CG-CB 4.27Å; R547-A551 VanDerWaalsContact O-CB 3.3Å; R547-A551 WeakPolarHBondContact O-CB 3.39Å; R547-A551 PolarHBondContact O-N 3.43Å; R548-A551 PolarHBondContact O-N 3.32Å; E549-A551 VanDerWaalsContact C-N 3.35Å; E549-A551 PolarHBondContact O-N 3.22Å; A551-G555 PolarHBondContact O-N 3.43Å
552	F	82.3	Confident	71.9	Confident	145 Å²	145	56.9 Å²	56.9	64%	0.636	29%	0.293	S	S	*	.	H	α-helix	trans	-64.5	-52.2	177.9	178.3	-98.6	0	0	0	111.2	R548 E549 L550 R554 G555 T556	R548-F552 WeakPolarHBondContact O-CB 3.38Å; R548-F552 PolarHBondContact O-N 2.79Å; E549-F552 WeakPolarHBondContact O-CB 3.32Å; E549-F552 PolarHBondContact O-N 3.42Å; L550-F552 VanDerWaalsContact C-N 3.32Å; L550-F552 PolarHBondContact O-N 3.33Å; F552-R554 PolarHBondContact O-N 2.93Å; F552-G555 PolarHBondContact O-N 2.98Å; F552-T556 HydrophobicContact CE1-CG2 4.18Å; F552-T556 HydrophobicContact CE2-CG2 4.23Å; F552-T556 HydrophobicContact CZ-CG2 3.99Å; F552-T556 PolarHBondContact O-N 3.15Å; F552-T556 PolarHBondContact O-OG1 2.94Å; F552-T556 VanDerWaalsContact O-OG1 3.09Å
553	I	79.2	Confident	71	Confident	15 Å²	15	58.4 Å²	58.4	8%	0.077	31%	0.313	C	S	.	.	H	α-helix	trans	-58.3	-50.4	180	-67	167.2	0	0	0	110.4	M499 N502 I503 E549 L550 G555 T556 C557	M499-I553 HydrophobicContact SD-CG2 4.35Å; N502-I553 HydrophobicContact CB-CG2 4.15Å; I503-I553 HydrophobicContact CD1-CG2 4.38Å; I503-I553 HydrophobicContact CG1-CD1 3.95Å; I503-I553 HydrophobicContact CG1-CG2 4.38Å; E549-I553 HydrophobicContact CG-CD1 4.06Å; E549-I553 VanDerWaalsContact O-CG1 3.32Å; E549-I553 WeakPolarHBondContact O-CG1 3.34Å; E549-I553 PolarHBondContact O-N 3.12Å; L550-I553 PolarHBondContact O-N 3.04Å; I553-G555 VanDerWaalsContact C-N 3.33Å; I553-G555 PolarHBondContact O-N 3.28Å; I553-T556 WeakPolarHBondContact CA-OG1 3.34Å; I553-T556 PolarHBondContact O-N 2.64Å; I553-T556 PolarHBondContact O-OG1 2.94Å; I553-C557 PolarHBondContact O-N 2.98Å; I553-C557 PolarHBondContact O-SG 2.88Å
554	R	80.6	Confident	69.8	Low	9 Å²	9	67.7 Å²	67.7	3%	0.034	34%	0.344	C	S	.	.	H	α-helix	trans	-63.5	-39.5	179.5	-168.8	-180	-169.5	-163.9	11.7	112.5	W458 C462 D465 E495 M499 L550 F552 C557 R558	W458-R554 HydrophobicContact CH2-CB 4.26Å; W458-R554 HydrophobicContact CH2-CG 3.9Å; W458-R554 HydrophobicContact CZ3-CB 4.1Å; W458-R554 HydrophobicContact CZ3-CG 4.21Å; C462-R554 PolarHBondContact SG-NH1 3.48Å; C462-R554 PolarHBondContact SG-NH2 3.43Å; D465-R554 WeakPolarHBondContact OD2-CD 3.38Å; D465-R554 IonicContact OD2-CZ 3.25Å; D465-R554 IonicContact OD2-NE 2.65Å; D465-R554 IonicContact OD2-NH1 2.76Å; D465-R554 PolarHBondContact OD2-NH1 3.41Å; E495-R554 WeakPolarHBondContact OE1-CG 3.41Å; E495-R554 IonicContact OE1-CZ 3.85Å; E495-R554 IonicContact OE1-NE 3.38Å; E495-R554 PolarHBondContact OE1-NE 2.92Å; E495-R554 IonicContact OE1-NH2 3.42Å; E495-R554 IonicContact OE2-CZ 2.94Å; E495-R554 IonicContact OE2-NE 3.28Å; E495-R554 PolarHBondContact OE2-NE 3.03Å; E495-R554 IonicContact OE2-NH2 2.88Å; E495-R554 PolarHBondContact OE2-NH2 3.43Å; M499-R554 HydrophobicContact CE-CG 4.2Å; M499-R554 HydrophobicContact SD-CB 4.47Å; L550-R554 WeakPolarHBondContact O-CB 3.31Å; L550-R554 PolarHBondContact O-N 3.36Å; F552-R554 PolarHBondContact O-N 2.93Å; R554-C557 PolarHBondContact O-N 3.45Å; R554-R558 WeakPolarHBondContact O-CG 3.15Å; R554-R558 PolarHBondContact O-N 3.2Å; R554-R558 VanDerWaalsContact O-N 3.14Å
555	G	76	Confident	68.4	Low	34 Å²	34	68.8 Å²	68.8	35%	0.351	35%	0.35	S	S	.	.	H	α-helix	trans	-62.2	-43.1	174.9	0	0	0	0	0	112.3	A551 F552 I553 R558 L559	A551-G555 PolarHBondContact O-N 3.43Å; F552-G555 PolarHBondContact O-N 2.98Å; I553-G555 VanDerWaalsContact C-N 3.33Å; I553-G555 PolarHBondContact O-N 3.28Å; G555-R558 PolarHBondContact O-N 2.82Å; G555-L559 PolarHBondContact O-N 2.99Å
556	T	70.9	Confident	67	Low	52 Å²	52	77.2 Å²	77.2	32%	0.319	38%	0.379	S	S	.	.	H	α-helix	trans	-65.2	-42	176.6	46.3	0	0	0	0	112.5	F552 I553 R558 L559 E560	F552-T556 HydrophobicContact CE1-CG2 4.18Å; F552-T556 HydrophobicContact CE2-CG2 4.23Å; F552-T556 HydrophobicContact CZ-CG2 3.99Å; F552-T556 PolarHBondContact O-N 3.15Å; F552-T556 PolarHBondContact O-OG1 2.94Å; F552-T556 VanDerWaalsContact O-OG1 3.09Å; I553-T556 WeakPolarHBondContact CA-OG1 3.34Å; I553-T556 PolarHBondContact O-N 2.64Å; I553-T556 PolarHBondContact O-OG1 2.94Å; T556-R558 VanDerWaalsContact C-N 3.31Å; T556-R558 PolarHBondContact O-N 3.45Å; T556-L559 WeakPolarHBondContact O-CB 3.34Å; T556-L559 PolarHBondContact O-N 3.2Å; T556-L559 VanDerWaalsContact O-N 3.11Å; T556-E560 PolarHBondContact O-N 3.33Å
557	C	66.2	Low	65.6	Low	23 Å²	23	82.4 Å²	82.4	16%	0.155	41%	0.407	C	S	.	.	H	α-helix	trans	-62.1	-38.1	176.7	-64.8	0	0	0	0	112.2	M499 I553 R554 L559 E560 D561	M499-C557 HydrophobicContact CE-CB 3.59Å; I553-C557 PolarHBondContact O-N 2.98Å; I553-C557 PolarHBondContact O-SG 2.88Å; R554-C557 PolarHBondContact O-N 3.45Å; C557-L559 VanDerWaalsContact C-N 3.28Å; C557-L559 PolarHBondContact O-N 3.36Å; C557-E560 WeakPolarHBondContact O-CB 3.31Å; C557-E560 PolarHBondContact O-N 3.31Å; C557-D561 PolarHBondContact O-N 3.04Å
558	R	65.1	Low	64.2	Low	75 Å²	75	84.8 Å²	84.8	28%	0.283	42%	0.42	S	S	.	.	H	α-helix	trans	-68.2	-25.4	175.8	-75	-175.2	174.4	157.4	7.6	114.2	D465 R554 G555 T556 D561 S562	D465-R558 IonicContact OD2-CZ 3.2Å; D465-R558 IonicContact OD2-NH1 2.76Å; D465-R558 PolarHBondContact OD2-NH1 3.18Å; D465-R558 IonicContact OD2-NH2 3.96Å; R554-R558 WeakPolarHBondContact O-CG 3.15Å; R554-R558 PolarHBondContact O-N 3.2Å; R554-R558 VanDerWaalsContact O-N 3.14Å; G555-R558 PolarHBondContact O-N 2.82Å; T556-R558 VanDerWaalsContact C-N 3.31Å; T556-R558 PolarHBondContact O-N 3.45Å; R558-D561 PolarHBondContact O-N 2.92Å; R558-S562 PolarHBondContact O-N 2.94Å
559	L	57.4	Low	63.1	Low	121 Å²	121	78.6 Å²	78.6	63%	0.634	40%	0.402	S	S	*	.	H	α-helix	trans	-73.1	-34.8	173.2	-70.9	170.4	0	0	0	111.1	G555 T556 C557 D561 S562	G555-L559 PolarHBondContact O-N 2.99Å; T556-L559 WeakPolarHBondContact O-CB 3.34Å; T556-L559 PolarHBondContact O-N 3.2Å; T556-L559 VanDerWaalsContact O-N 3.11Å; C557-L559 VanDerWaalsContact C-N 3.28Å; C557-L559 PolarHBondContact O-N 3.36Å; L559-D561 PolarHBondContact O-N 3.08Å; L559-S562 WeakPolarHBondContact O-CB 3.33Å; L559-S562 PolarHBondContact O-N 3.14Å; L559-S562 VanDerWaalsContact O-N 3.08Å; L559-S562 PolarHBondContact O-OG 3.4Å
560	E	52.7	Low	62.3	Low	119 Å²	119	77.3 Å²	77.3	56%	0.556	40%	0.401	S	S	*	.	H	α-helix	trans	-61	-35.2	171.1	-65.5	-179.8	159.5	0	0	111	T556 C557 S562 M565	T556-E560 PolarHBondContact O-N 3.33Å; C557-E560 WeakPolarHBondContact O-CB 3.31Å; C557-E560 PolarHBondContact O-N 3.31Å; E560-S562 VanDerWaalsContact C-N 3.25Å; E560-S562 PolarHBondContact O-N 3.42Å; E560-M565 HydrophobicContact CB-SD 4.08Å; E560-M565 VanDerWaalsContact O-CB 3.22Å; E560-M565 WeakPolarHBondContact O-CB 3.09Å; E560-M565 VanDerWaalsContact O-SD 3.37Å
561	D	50.2	Low	61.6	Low	107 Å²	107	78.6 Å²	78.6	57%	0.572	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-7.1	175.3	-69.4	-31.3	0	0	0	114.8	C557 R558 L559 G563	C557-D561 PolarHBondContact O-N 3.04Å; R558-D561 PolarHBondContact O-N 2.92Å; L559-D561 PolarHBondContact O-N 3.08Å; D561-G563 PolarHBondContact O-N 3.3Å
562	S	46.5	Very low	60.6	Low	76 Å²	76	79.9 Å²	79.9	53%	0.531	41%	0.414	S	S	.	.	S	Bend	trans	-80.5	76.3	-173.8	72.6	0	0	0	0	113.1	R558 L559 E560 W564	R558-S562 PolarHBondContact O-N 2.94Å; L559-S562 WeakPolarHBondContact O-CB 3.33Å; L559-S562 PolarHBondContact O-N 3.14Å; L559-S562 VanDerWaalsContact O-N 3.08Å; L559-S562 PolarHBondContact O-OG 3.4Å; E560-S562 VanDerWaalsContact C-N 3.25Å; E560-S562 PolarHBondContact O-N 3.42Å; S562-W564 VanDerWaalsContact C-N 3.26Å; S562-W564 PolarHBondContact O-N 2.94Å
563	G	49.3	Very low	59.7	Low	51 Å²	51	74.8 Å²	74.8	53%	0.526	40%	0.395	S	S	.	.	S	Bend	trans	73	-39	153.3	0	0	0	0	0	118.3	D561 M565	D561-G563 PolarHBondContact O-N 3.3Å; G563-M565 PolarHBondContact O-N 3.04Å
564	W	45.5	Very low	58.8	Low	249 Å²	249	76.1 Å²	76.1	94%	0.943	40%	0.404	S	S	*	.	S	Bend	trans	-71.6	-24.9	175.1	-165.6	24.6	0	0	0	111.7	S562	S562-W564 VanDerWaalsContact C-N 3.26Å; S562-W564 PolarHBondContact O-N 2.94Å
565	M	43.9	Very low	58.3	Low	63 Å²	63	78.4 Å²	78.4	31%	0.31	42%	0.421	S	S	.	.	S	Bend	trans	-97.4	-2.7	179.8	-106.9	173.4	169.7	0	0	114.6	E560 G563 N567 I568 A569	E560-M565 HydrophobicContact CB-SD 4.08Å; E560-M565 VanDerWaalsContact O-CB 3.22Å; E560-M565 WeakPolarHBondContact O-CB 3.09Å; E560-M565 VanDerWaalsContact O-SD 3.37Å; G563-M565 PolarHBondContact O-N 3.04Å; M565-N567 PolarHBondContact O-N 3.36Å; M565-I568 CarbonylContact O-C 3.56Å; M565-I568 PolarHBondContact O-N 3.44Å; M565-A569 HydrophobicContact CB-CB 4.38Å; M565-A569 VanDerWaalsContact O-CA 3.32Å; M565-A569 WeakPolarHBondContact O-CA 3.28Å; M565-A569 WeakPolarHBondContact O-CB 3.28Å; M565-A569 PolarHBondContact O-N 3.23Å
566	R	48.2	Very low	58.4	Low	192 Å²	192	76.8 Å²	76.8	73%	0.725	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-22	-177	-99	-176.9	-175.3	157	1.6	115.5
567	N	49.8	Very low	58.7	Low	115 Å²	115	77.5 Å²	77.5	62%	0.615	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-5.2	176.3	-60	-25.3	0	0	0	113.8	M565	M565-N567 PolarHBondContact O-N 3.36Å
568	I	53.9	Low	59.4	Low	65 Å²	65	84.6 Å²	84.6	33%	0.333	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-2	-174.8	-52.4	175.3	0	0	0	111.2	M565 L635	M565-I568 CarbonylContact O-C 3.56Å; M565-I568 PolarHBondContact O-N 3.44Å; I568-L635 HydrophobicContact CG2-CB 4.03Å
569	A	58.8	Low	60.2	Low	24 Å²	24	82.4 Å²	82.4	20%	0.198	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-63.4	133.9	-171.6	0	0	0	0	0	110	M565 L571 H636	M565-A569 HydrophobicContact CB-CB 4.38Å; M565-A569 VanDerWaalsContact O-CA 3.32Å; M565-A569 WeakPolarHBondContact O-CA 3.28Å; M565-A569 WeakPolarHBondContact O-CB 3.28Å; M565-A569 PolarHBondContact O-N 3.23Å; A569-L571 PolarHBondContact O-N 2.92Å; A569-H636 PolarHBondContact O-CE1 3.41Å; A569-H636 PolarHBondContact O-ND1 3.34Å
570	P	63.9	Low	61.7	Low	59 Å²	59	80 Å²	80	38%	0.383	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-64.1	133.6	-176.6	27.1	-34.6	0	0	0	111.2	H636 S639	P570-H636 WeakPolarHBondContact CA-O 3.2Å; P570-S639 VanDerWaalsContact CB-CB 3.47Å
571	L	68.8	Low	63.4	Low	26 Å²	26	76 Å²	76	14%	0.136	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-69.2	135.6	175.4	-71.3	167.1	0	0	0	110	A569 V573 L576 M579 E587 H636 F637	A569-L571 PolarHBondContact O-N 2.92Å; L571-V573 PolarHBondContact O-N 3.35Å; L571-L576 HydrophobicContact CB-CD1 4.3Å; L571-L576 HydrophobicContact CD1-CD1 4Å; L571-M579 HydrophobicContact CD1-CE 3.82Å; L571-M579 HydrophobicContact CD1-SD 3.96Å; L571-M579 HydrophobicContact CD2-CE 4.07Å; L571-E587 HydrophobicContact CD1-CG 4.42Å; L571-H636 PolarHBondContact N-O 3.08Å; L571-F637 HydrophobicContact CD1-CD1 3.73Å; L571-F637 HydrophobicContact CD1-CE1 3.61Å; L571-F637 HydrophobicContact CD1-CZ 4.48Å
572	P	64.1	Low	65.1	Low	57 Å²	57	75.4 Å²	75.4	37%	0.37	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-57.6	134.8	174.7	-20.8	30.2	0	0	0	110.4	T574 S575 L576	P572-T574 PolarHBondContact O-N 3.43Å; P572-T574 VanDerWaalsContact O-N 3.13Å; P572-S575 WeakPolarHBondContact O-CA 3.3Å; P572-S575 WeakPolarHBondContact O-CB 3.5Å; P572-S575 PolarHBondContact O-N 2.91Å; P572-L576 PolarHBondContact O-N 3.48Å
573	V	63	Low	66.9	Low	39 Å²	39	74.8 Å²	74.8	24%	0.236	39%	0.389	C	S	.	.	H	α-helix	trans	-55.8	-36	-178.1	-173.2	0	0	0	0	111.6	L571 S575 L576 I577 V612 F640	L571-V573 PolarHBondContact O-N 3.35Å; V573-S575 VanDerWaalsContact C-N 3.35Å; V573-S575 PolarHBondContact O-N 3.48Å; V573-L576 PolarHBondContact O-N 3.27Å; V573-I577 HydrophobicContact CG1-CD1 3.83Å; V573-I577 HydrophobicContact CG1-CG1 4.2Å; V573-I577 WeakPolarHBondContact O-CB 3.28Å; V573-I577 VanDerWaalsContact O-CG1 3.22Å; V573-I577 WeakPolarHBondContact O-CG1 3.19Å; V573-I577 PolarHBondContact O-N 3.41Å; V573-V612 HydrophobicContact CG1-CG1 4.34Å; V573-V612 HydrophobicContact CG1-CG2 4.4Å; V573-F640 HydrophobicContact CG2-CB 3.33Å; V573-F640 HydrophobicContact CG2-CD1 3.75Å; V573-F640 HydrophobicContact CG2-CD2 4.16Å; V573-F640 HydrophobicContact CG2-CG 3.47Å; V573-F640 VanDerWaalsContact CG2-CG 3.47Å
574	T	60.2	Low	68.6	Low	43 Å²	43	72.4 Å²	72.4	26%	0.264	36%	0.364	S	S	.	.	H	α-helix	trans	-66.8	-32.7	177.9	51.2	0	0	0	0	113.5	Y497 P572 K578	Y497-T574 HydrophobicContact CD1-CG2 4.23Å; Y497-T574 HydrophobicContact CE1-CG2 4.1Å; P572-T574 PolarHBondContact O-N 3.43Å; P572-T574 VanDerWaalsContact O-N 3.13Å; T574-K578 WeakPolarHBondContact O-CG 3.14Å
575	S	70.4	Confident	70.5	Confident	57 Å²	57	61 Å²	61	40%	0.399	32%	0.322	S	S	.	.	H	α-helix	trans	-76.7	-44.4	172.2	-61.1	0	0	0	0	110.4	P572 V573 I577 K578 M579	P572-S575 WeakPolarHBondContact O-CA 3.3Å; P572-S575 WeakPolarHBondContact O-CB 3.5Å; P572-S575 PolarHBondContact O-N 2.91Å; V573-S575 VanDerWaalsContact C-N 3.35Å; V573-S575 PolarHBondContact O-N 3.48Å; S575-I577 PolarHBondContact O-N 3.23Å; S575-K578 PolarHBondContact O-N 3.16Å; S575-K578 VanDerWaalsContact O-N 3.15Å; S575-M579 WeakPolarHBondContact O-CG 3.22Å; S575-M579 PolarHBondContact O-N 3.39Å
576	L	77.8	Confident	72.5	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-60.3	-46.5	-178.7	-167.9	78	0	0	0	111.4	L571 P572 V573 K578 M579 G608 L611 V612 F637 F640	L571-L576 HydrophobicContact CB-CD1 4.3Å; L571-L576 HydrophobicContact CD1-CD1 4Å; P572-L576 PolarHBondContact O-N 3.48Å; V573-L576 PolarHBondContact O-N 3.27Å; L576-K578 PolarHBondContact O-N 2.98Å; L576-K578 VanDerWaalsContact O-N 3.11Å; L576-M579 HydrophobicContact CD1-SD 3.95Å; L576-M579 WeakPolarHBondContact O-CB 3.15Å; L576-M579 PolarHBondContact O-N 3.34Å; L576-G608 WeakPolarHBondContact O-CA 3.26Å; L576-L611 HydrophobicContact CD1-CD1 4.46Å; L576-L611 HydrophobicContact CD2-CB 4.45Å; L576-V612 HydrophobicContact CB-CG2 4.46Å; L576-V612 HydrophobicContact CD2-CG2 3.52Å; L576-V612 HydrophobicContact CG-CG2 4.11Å; L576-F637 HydrophobicContact CD1-CD1 3.76Å; L576-F637 HydrophobicContact CD1-CE1 4.49Å; L576-F637 VanDerWaalsContact CD2-O 3.26Å; L576-F637 WeakPolarHBondContact CD2-O 3.27Å; L576-F640 HydrophobicContact CD2-CD1 4.3Å; L576-F640 HydrophobicContact CD2-CE1 3.36Å; L576-F640 HydrophobicContact CD2-CZ 3.89Å
577	I	77.2	Confident	74.1	Confident	67 Å²	67	56.9 Å²	56.9	34%	0.344	31%	0.31	S	S	.	.	H	α-helix	trans	-56	-32.8	178.7	-71.5	169.2	0	0	0	112.1	V573 S575 V612	V573-I577 HydrophobicContact CG1-CD1 3.83Å; V573-I577 HydrophobicContact CG1-CG1 4.2Å; V573-I577 WeakPolarHBondContact O-CB 3.28Å; V573-I577 VanDerWaalsContact O-CG1 3.22Å; V573-I577 WeakPolarHBondContact O-CG1 3.19Å; V573-I577 PolarHBondContact O-N 3.41Å; S575-I577 PolarHBondContact O-N 3.23Å; I577-V612 HydrophobicContact CD1-CG1 4.4Å; I577-V612 HydrophobicContact CG1-CB 4.3Å; I577-V612 HydrophobicContact CG1-CG1 4.18Å; I577-V612 HydrophobicContact CG1-CG2 3.8Å
578	K	80.2	Confident	75.6	Confident	172 Å²	172	51.4 Å²	51.4	75%	0.748	28%	0.281	S	S	*	.	H	α-helix	trans	-86.3	-8.9	-178.1	-65	176.8	-175.7	175.1	0	113.6	T574 S575 L576	T574-K578 WeakPolarHBondContact O-CG 3.14Å; S575-K578 PolarHBondContact O-N 3.16Å; S575-K578 VanDerWaalsContact O-N 3.15Å; L576-K578 PolarHBondContact O-N 2.98Å; L576-K578 VanDerWaalsContact O-N 3.11Å
579	M	83.6	Confident	77	Confident	28 Å²	28	53.7 Å²	53.7	14%	0.138	29%	0.29	C	S	.	.			trans	-70.7	133.9	-177.8	-77.1	177.6	163.1	0	0	112.1	L571 S575 L576 D583 I584 E587 G608	L571-M579 HydrophobicContact CD1-CE 3.82Å; L571-M579 HydrophobicContact CD1-SD 3.96Å; L571-M579 HydrophobicContact CD2-CE 4.07Å; S575-M579 WeakPolarHBondContact O-CG 3.22Å; S575-M579 PolarHBondContact O-N 3.39Å; L576-M579 HydrophobicContact CD1-SD 3.95Å; L576-M579 WeakPolarHBondContact O-CB 3.15Å; L576-M579 PolarHBondContact O-N 3.34Å; M579-D583 HydrophobicContact CB-CB 4.09Å; M579-D583 HydrophobicContact CG-CB 4.05Å; M579-I584 HydrophobicContact CB-CG1 4.12Å; M579-E587 HydrophobicContact CE-CG 4.04Å; M579-G608 PolarHBondContact O-N 3.35Å
580	T	88.6	Confident	78.1	Confident	70 Å²	70	58.8 Å²	58.8	43%	0.429	30%	0.304	S	S	.	.			trans	-80.5	170.2	169.4	68.6	0	0	0	0	110.9	D582 D583 I584	T580-D582 PolarHBondContact O-N 2.82Å; T580-D583 WeakPolarHBondContact CB-OD2 3.09Å; T580-D583 PolarHBondContact N-OD2 3.27Å; T580-D583 PolarHBondContact O-N 2.87Å; T580-D583 PolarHBondContact OG1-N 3.06Å; T580-D583 PolarHBondContact OG1-OD2 3.02Å; T580-I584 WeakPolarHBondContact O-CG1 3.2Å; T580-I584 PolarHBondContact O-N 3.44Å
581	T	87.4	Confident	78.6	Confident	36 Å²	36	57.1 Å²	57.1	22%	0.221	29%	0.292	C	S	.	.	H	α-helix	trans	-59.2	-30.7	175.7	48.1	0	0	0	0	112.6	C585 K605 L606 N607	T581-C585 PolarHBondContact O-N 3.36Å; T581-C585 PolarHBondContact O-SG 3.14Å; T581-K605 HydrophobicContact CG2-CB 4.35Å; T581-L606 WeakPolarHBondContact CG2-O 3.3Å; T581-N607 HydrophobicContact CG2-CB 4.35Å
582	D	85.4	Confident	79.2	Confident	95 Å²	95	65.1 Å²	65.1	51%	0.508	33%	0.325	S	S	.	.	H	α-helix	trans	-78.9	-39.5	-179	-67.6	-39	0	0	0	111.3	T580 I584 C585 E586	T580-D582 PolarHBondContact O-N 2.82Å; D582-I584 VanDerWaalsContact C-N 3.28Å; D582-I584 PolarHBondContact O-N 2.94Å; D582-C585 WeakPolarHBondContact O-CB 3.2Å; D582-C585 PolarHBondContact O-N 2.83Å; D582-E586 PolarHBondContact O-N 3.19Å
583	D	85	Confident	79.9	Confident	63 Å²	63	63.1 Å²	63.1	34%	0.337	31%	0.312	S	S	.	.	H	α-helix	trans	-60.1	-39.6	174.6	-54	-39	0	0	0	111.3	M579 T580 C585 E586 E587	M579-D583 HydrophobicContact CB-CB 4.09Å; M579-D583 HydrophobicContact CG-CB 4.05Å; T580-D583 WeakPolarHBondContact CB-OD2 3.09Å; T580-D583 PolarHBondContact N-OD2 3.27Å; T580-D583 PolarHBondContact O-N 2.87Å; T580-D583 PolarHBondContact OG1-N 3.06Å; T580-D583 PolarHBondContact OG1-OD2 3.02Å; D583-C585 VanDerWaalsContact C-N 3.34Å; D583-C585 PolarHBondContact O-N 3.5Å; D583-E586 PolarHBondContact O-N 2.7Å; D583-E587 PolarHBondContact O-N 2.92Å
584	I	85.9	Confident	80.8	Confident	1 Å²	1	65 Å²	65	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-65	-39.4	175.4	-67.1	162.4	0	0	0	110.8	M579 T580 D582 E587 M588 V601 L606 N607 L611 F637	M579-I584 HydrophobicContact CB-CG1 4.12Å; T580-I584 WeakPolarHBondContact O-CG1 3.2Å; T580-I584 PolarHBondContact O-N 3.44Å; D582-I584 VanDerWaalsContact C-N 3.28Å; D582-I584 PolarHBondContact O-N 2.94Å; I584-E587 PolarHBondContact O-N 3.07Å; I584-M588 HydrophobicContact CG2-CG 4.41Å; I584-M588 HydrophobicContact CG2-SD 4.06Å; I584-M588 WeakPolarHBondContact O-CB 3.27Å; I584-M588 VanDerWaalsContact O-CG 3.23Å; I584-M588 WeakPolarHBondContact O-CG 3.06Å; I584-M588 PolarHBondContact O-N 3.34Å; I584-V601 HydrophobicContact CG2-CG1 4.14Å; I584-L606 VanDerWaalsContact CD1-O 3.31Å; I584-L606 WeakPolarHBondContact CD1-O 3.5Å; I584-N607 VanDerWaalsContact CD1-C 3.44Å; I584-L611 HydrophobicContact CD1-CD1 3.63Å; I584-L611 HydrophobicContact CD1-CG 4.42Å; I584-L611 HydrophobicContact CG1-CD1 4.09Å; I584-L611 HydrophobicContact CG2-CD1 4.22Å; I584-F637 HydrophobicContact CG2-CE1 4.22Å; I584-F637 HydrophobicContact CG2-CZ 4.37Å
585	C	84.8	Confident	81.7	Confident	9 Å²	9	65.4 Å²	65.4	6%	0.061	33%	0.325	C	S	.	.	H	α-helix	trans	-67.8	-36.4	178.1	-70.6	0	0	0	0	112.4	T581 D582 D583 E589 R598	T581-C585 PolarHBondContact O-N 3.36Å; T581-C585 PolarHBondContact O-SG 3.14Å; D582-C585 WeakPolarHBondContact O-CB 3.2Å; D582-C585 PolarHBondContact O-N 2.83Å; D583-C585 VanDerWaalsContact C-N 3.34Å; D583-C585 PolarHBondContact O-N 3.5Å; C585-E589 WeakPolarHBondContact O-CB 3.49Å; C585-E589 PolarHBondContact O-N 2.98Å; C585-R598 HydrophobicContact CB-CG 4.44Å; C585-R598 WeakPolarHBondContact O-CD 3.38Å
586	E	84.7	Confident	82.3	Confident	133 Å²	133	65.7 Å²	65.7	62%	0.621	32%	0.324	S	S	*	.	H	α-helix	trans	-66.1	-41.8	174.6	-172.1	175.3	179	0	0	111.2	D582 D583 E589 R590	D582-E586 PolarHBondContact O-N 3.19Å; D583-E586 PolarHBondContact O-N 2.7Å; E586-E589 WeakPolarHBondContact O-CB 3.42Å; E586-E589 PolarHBondContact O-N 2.73Å; E586-R590 PolarHBondContact O-N 3.05Å
587	E	81.6	Confident	82.6	Confident	36 Å²	36	66.8 Å²	66.8	17%	0.168	33%	0.329	C	S	.	.	H	α-helix	trans	-67.3	-40.1	175.3	-78.4	-63.6	164.7	0	0	112.7	L571 M579 D583 I584 E589 R590 M591 H636 F637	L571-E587 HydrophobicContact CD1-CG 4.42Å; M579-E587 HydrophobicContact CE-CG 4.04Å; D583-E587 PolarHBondContact O-N 2.92Å; I584-E587 PolarHBondContact O-N 3.07Å; E587-E589 VanDerWaalsContact C-N 3.26Å; E587-E589 PolarHBondContact O-N 3.4Å; E587-R590 WeakPolarHBondContact O-CB 3.44Å; E587-R590 PolarHBondContact O-N 3.17Å; E587-R590 IonicContact OE1-CZ 2.99Å; E587-R590 IonicContact OE1-NE 2.76Å; E587-R590 IonicContact OE1-NH2 3.08Å; E587-R590 PolarHBondContact OE1-NH2 2.96Å; E587-R590 IonicContact OE2-CZ 2.86Å; E587-R590 IonicContact OE2-NE 3.48Å; E587-R590 PolarHBondContact OE2-NE 2.87Å; E587-R590 IonicContact OE2-NH2 3.2Å; E587-R590 PolarHBondContact OE2-NH2 2.66Å; E587-M591 WeakPolarHBondContact O-CG 3.3Å; E587-M591 PolarHBondContact O-N 3.5Å; E587-M591 VanDerWaalsContact O-N 3.1Å; E587-H636 IonicContact OE2-NE2 3.66Å; E587-F637 HydrophobicContact CB-CE1 4.03Å; E587-F637 HydrophobicContact CB-CZ 3.66Å
588	M	83.1	Confident	82.9	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-33.2	173.7	-72.4	179.8	70.4	0	0	112.5	I584 M591 K592 L593 R598 V601 M625 F633 F637	I584-M588 HydrophobicContact CG2-CG 4.41Å; I584-M588 HydrophobicContact CG2-SD 4.06Å; I584-M588 WeakPolarHBondContact O-CB 3.27Å; I584-M588 VanDerWaalsContact O-CG 3.23Å; I584-M588 WeakPolarHBondContact O-CG 3.06Å; I584-M588 PolarHBondContact O-N 3.34Å; M588-M591 PolarHBondContact O-N 3.22Å; M588-K592 PolarHBondContact O-N 2.91Å; M588-L593 HydrophobicContact CB-CB 4.47Å; M588-L593 HydrophobicContact CB-CD1 4.23Å; M588-L593 HydrophobicContact CE-CB 4.43Å; M588-L593 HydrophobicContact CE-CD1 4.02Å; M588-L593 HydrophobicContact CG-CD1 4.08Å; M588-L593 WeakPolarHBondContact O-CB 3.21Å; M588-L593 PolarHBondContact O-N 2.83Å; M588-L593 VanDerWaalsContact O-N 3.11Å; M588-R598 HydrophobicContact CB-CG 4.1Å; M588-R598 HydrophobicContact CE-CG 4.44Å; M588-V601 HydrophobicContact CE-CG2 4.38Å; M588-V601 HydrophobicContact SD-CG2 3.8Å; M588-M625 HydrophobicContact CE-CE 3.85Å; M588-F633 HydrophobicContact CE-CE2 4.36Å; M588-F633 HydrophobicContact CG-CE2 4.43Å; M588-F633 HydrophobicContact SD-CE2 4.11Å; M588-F637 HydrophobicContact CG-CE2 3.79Å; M588-F637 HydrophobicContact CG-CZ 3.86Å
589	E	83.4	Confident	83	Confident	113 Å²	113	64.5 Å²	64.5	53%	0.528	32%	0.317	S	S	.	.	H	α-helix	trans	-67.8	-41.8	173.8	-177.3	155.3	-132.5	0	0	111.9	C585 E586 E587 M591 K592 R598	C585-E589 WeakPolarHBondContact O-CB 3.49Å; C585-E589 PolarHBondContact O-N 2.98Å; E586-E589 WeakPolarHBondContact O-CB 3.42Å; E586-E589 PolarHBondContact O-N 2.73Å; E587-E589 VanDerWaalsContact C-N 3.26Å; E587-E589 PolarHBondContact O-N 3.4Å; E589-M591 PolarHBondContact O-N 2.89Å; E589-K592 PolarHBondContact O-N 3.46Å; E589-R598 IonicContact OE1-CZ 3.11Å; E589-R598 IonicContact OE1-NH1 3.84Å; E589-R598 PolarHBondContact OE1-NH1 2.82Å; E589-R598 IonicContact OE1-NH2 3.79Å; E589-R598 IonicContact OE2-NH1 3.47Å; E589-R598 PolarHBondContact OE2-NH1 2.8Å; E589-R598 VanDerWaalsContact OE2-NH1 3.11Å
590	R	80.2	Confident	83.1	Confident	130 Å²	130	64.9 Å²	64.9	49%	0.491	32%	0.32	S	S	.	.	H	α-helix	trans	-58.9	-34.4	174.1	-167.6	175.5	70.5	147.4	1.6	112.3	E586 E587 K592	E586-R590 PolarHBondContact O-N 3.05Å; E587-R590 WeakPolarHBondContact O-CB 3.44Å; E587-R590 PolarHBondContact O-N 3.17Å; E587-R590 IonicContact OE1-CZ 2.99Å; E587-R590 IonicContact OE1-NE 2.76Å; E587-R590 IonicContact OE1-NH2 3.08Å; E587-R590 PolarHBondContact OE1-NH2 2.96Å; E587-R590 IonicContact OE2-CZ 2.86Å; E587-R590 IonicContact OE2-NE 3.48Å; E587-R590 PolarHBondContact OE2-NE 2.87Å; E587-R590 IonicContact OE2-NH2 3.2Å; E587-R590 PolarHBondContact OE2-NH2 2.66Å; R590-K592 VanDerWaalsContact C-N 3.28Å; R590-K592 PolarHBondContact O-N 3.49Å
591	M	75.9	Confident	82.9	Confident	24 Å²	24	61.6 Å²	61.6	12%	0.118	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-2.3	176.2	-65.5	-176	82.6	0	0	114.8	E587 M588 E589 L593 T632 H636 F637	E587-M591 WeakPolarHBondContact O-CG 3.3Å; E587-M591 PolarHBondContact O-N 3.5Å; E587-M591 VanDerWaalsContact O-N 3.1Å; M588-M591 PolarHBondContact O-N 3.22Å; E589-M591 PolarHBondContact O-N 2.89Å; M591-L593 VanDerWaalsContact C-N 3.27Å; M591-L593 HydrophobicContact CB-CD1 4.25Å; M591-L593 HydrophobicContact CB-CG 4.09Å; M591-L593 PolarHBondContact O-N 2.8Å; M591-L593 HydrophobicContact SD-CD1 4.23Å; M591-T632 HydrophobicContact CE-CG2 3.59Å; M591-H636 HydrophobicContact CE-CB 3.31Å; M591-H636 HydrophobicContact SD-CB 3.65Å; M591-H636 PolarHBondContact SD-CD2 2.92Å; M591-F637 HydrophobicContact SD-CD2 4.34Å; M591-F637 HydrophobicContact SD-CE2 3.73Å
592	K	79.7	Confident	82.9	Confident	195 Å²	195	65.4 Å²	65.4	85%	0.848	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	32.2	-174.9	-52.2	177.5	178.6	178.8	0	113.6	M588 E589 R590	M588-K592 PolarHBondContact O-N 2.91Å; E589-K592 PolarHBondContact O-N 3.46Å; R590-K592 VanDerWaalsContact C-N 3.28Å; R590-K592 PolarHBondContact O-N 3.49Å
593	L	80.6	Confident	83.1	Confident	15 Å²	15	68.8 Å²	68.8	8%	0.079	32%	0.324	C	S	.	.			trans	-76.4	149.6	172	-67	171.1	0	0	0	110.5	M588 M591 Y597 E629 F633	M588-L593 HydrophobicContact CB-CB 4.47Å; M588-L593 HydrophobicContact CB-CD1 4.23Å; M588-L593 HydrophobicContact CE-CB 4.43Å; M588-L593 HydrophobicContact CE-CD1 4.02Å; M588-L593 HydrophobicContact CG-CD1 4.08Å; M588-L593 WeakPolarHBondContact O-CB 3.21Å; M588-L593 PolarHBondContact O-N 2.83Å; M588-L593 VanDerWaalsContact O-N 3.11Å; M591-L593 VanDerWaalsContact C-N 3.27Å; M591-L593 HydrophobicContact CB-CD1 4.25Å; M591-L593 HydrophobicContact CB-CG 4.09Å; M591-L593 PolarHBondContact O-N 2.8Å; M591-L593 HydrophobicContact SD-CD1 4.23Å; L593-Y597 HydrophobicContact CB-CD2 4.46Å; L593-E629 HydrophobicContact CD2-CB 4.29Å; L593-F633 HydrophobicContact CD1-CD2 4.18Å
594	D	80.3	Confident	83.2	Confident	77 Å²	77	69.9 Å²	69.9	41%	0.412	33%	0.327	S	S	.	.			trans	-61.7	147.5	-176.1	-170.2	17.8	0	0	0	112.4	T596 Y597	D594-T596 VanDerWaalsContact CG-OG1 3.3Å; D594-T596 PolarHBondContact O-N 3.49Å; D594-T596 VanDerWaalsContact OD2-CG2 3.29Å; D594-T596 WeakPolarHBondContact OD2-CG2 3.39Å; D594-T596 PolarHBondContact OD2-OG1 3.05Å; D594-Y597 HydrophobicContact CB-CD2 3.96Å; D594-Y597 HydrophobicContact CB-CE2 3.95Å; D594-Y597 PolarHBondContact O-N 2.81Å
595	S	80.6	Confident	83.1	Confident	53 Å²	53	77.7 Å²	77.7	37%	0.371	36%	0.361	S	S	.	.	H	α-helix	trans	-57.1	-30.4	176.6	56.8	0	0	0	0	113.6	Y597 R598 E599	S595-Y597 VanDerWaalsContact C-N 3.31Å; S595-Y597 PolarHBondContact O-N 3.26Å; S595-R598 WeakPolarHBondContact O-CB 3.43Å; S595-R598 PolarHBondContact O-N 3.49Å; S595-R598 VanDerWaalsContact O-N 3.13Å; S595-E599 PolarHBondContact O-N 3.09Å; S595-E599 VanDerWaalsContact O-N 3.09Å
596	T	82.7	Confident	83.2	Confident	62 Å²	62	78 Å²	78	38%	0.38	36%	0.362	S	S	.	.	H	α-helix	trans	-60	-37.5	178.2	53.9	0	0	0	0	113	D594 T600	D594-T596 VanDerWaalsContact CG-OG1 3.3Å; D594-T596 PolarHBondContact O-N 3.49Å; D594-T596 VanDerWaalsContact OD2-CG2 3.29Å; D594-T596 WeakPolarHBondContact OD2-CG2 3.39Å; D594-T596 PolarHBondContact OD2-OG1 3.05Å; T596-T600 PolarHBondContact O-N 3.01Å; T596-T600 PolarHBondContact O-OG1 3.38Å
597	Y	84.2	Confident	83.3	Confident	24 Å²	24	74.9 Å²	74.9	9%	0.094	35%	0.349	C	S	.	.	H	α-helix	trans	-70.7	-36.7	176.5	-55.2	-51.6	0	0	0	111.8	L593 D594 S595 T600 V601 L623 M625 E629	L593-Y597 HydrophobicContact CB-CD2 4.46Å; D594-Y597 HydrophobicContact CB-CD2 3.96Å; D594-Y597 HydrophobicContact CB-CE2 3.95Å; D594-Y597 PolarHBondContact O-N 2.81Å; S595-Y597 VanDerWaalsContact C-N 3.31Å; S595-Y597 PolarHBondContact O-N 3.26Å; Y597-T600 WeakPolarHBondContact O-CB 3.27Å; Y597-T600 PolarHBondContact O-N 2.64Å; Y597-T600 VanDerWaalsContact O-N 3.17Å; Y597-V601 WeakPolarHBondContact O-CG2 3.06Å; Y597-V601 PolarHBondContact O-N 3.49Å; Y597-L623 VanDerWaalsContact CD1-O 3.25Å; Y597-L623 WeakPolarHBondContact CD1-O 3.35Å; Y597-L623 VanDerWaalsContact CE1-O 3.32Å; Y597-L623 WeakPolarHBondContact CE1-O 3.4Å; Y597-M625 HydrophobicContact CD1-CE 4.03Å; Y597-M625 HydrophobicContact CD1-CG 3.68Å; Y597-M625 HydrophobicContact CD2-CE 4.11Å; Y597-M625 HydrophobicContact CD2-CG 4.36Å; Y597-M625 HydrophobicContact CE1-CB 4.16Å; Y597-M625 HydrophobicContact CE1-CG 3.42Å; Y597-M625 VanDerWaalsContact CE1-CG 3.42Å; Y597-M625 HydrophobicContact CE2-CG 4.12Å; Y597-M625 HydrophobicContact CG-CE 3.73Å; Y597-M625 HydrophobicContact CG-CG 4.15Å; Y597-E629 PolarHBondContact OH-OE2 3.01Å
598	R	83.1	Confident	83.3	Confident	55 Å²	55	73.1 Å²	73.1	21%	0.208	34%	0.341	C	S	.	.	H	α-helix	trans	-66.2	-38.1	177.1	-67.3	-176.5	-77.7	168.7	-4.7	111.8	C585 M588 E589 S595 T600 V601 K602	C585-R598 HydrophobicContact CB-CG 4.44Å; C585-R598 WeakPolarHBondContact O-CD 3.38Å; M588-R598 HydrophobicContact CB-CG 4.1Å; M588-R598 HydrophobicContact CE-CG 4.44Å; E589-R598 IonicContact OE1-CZ 3.11Å; E589-R598 IonicContact OE1-NH1 3.84Å; E589-R598 PolarHBondContact OE1-NH1 2.82Å; E589-R598 IonicContact OE1-NH2 3.79Å; E589-R598 IonicContact OE2-NH1 3.47Å; E589-R598 PolarHBondContact OE2-NH1 2.8Å; E589-R598 VanDerWaalsContact OE2-NH1 3.11Å; S595-R598 WeakPolarHBondContact O-CB 3.43Å; S595-R598 PolarHBondContact O-N 3.49Å; S595-R598 VanDerWaalsContact O-N 3.13Å; R598-T600 VanDerWaalsContact C-N 3.29Å; R598-T600 PolarHBondContact O-N 3.02Å; R598-V601 PolarHBondContact O-N 2.91Å; R598-K602 WeakPolarHBondContact O-CG 3.06Å; R598-K602 PolarHBondContact O-N 2.94Å
599	E	82.4	Confident	83	Confident	136 Å²	136	75.3 Å²	75.3	64%	0.636	36%	0.357	S	S	*	.	H	α-helix	trans	-62.7	-38.5	172.4	-69	-178.4	179.6	0	0	111.7	S595 K602 K603	S595-E599 PolarHBondContact O-N 3.09Å; S595-E599 VanDerWaalsContact O-N 3.09Å; E599-K602 PolarHBondContact O-N 3.14Å; E599-K603 WeakPolarHBondContact O-CB 3.36Å; E599-K603 PolarHBondContact O-N 3.16Å
600	T	85	Confident	83	Confident	35 Å²	35	71.6 Å²	71.6	22%	0.215	35%	0.345	C	S	.	.	H	α-helix	trans	-68	-40.1	177.4	-55.9	0	0	0	0	112.1	T596 Y597 R598 K603 H604 L622 L623	T596-T600 PolarHBondContact O-N 3.01Å; T596-T600 PolarHBondContact O-OG1 3.38Å; Y597-T600 WeakPolarHBondContact O-CB 3.27Å; Y597-T600 PolarHBondContact O-N 2.64Å; Y597-T600 VanDerWaalsContact O-N 3.17Å; R598-T600 VanDerWaalsContact C-N 3.29Å; R598-T600 PolarHBondContact O-N 3.02Å; T600-K603 PolarHBondContact O-N 2.94Å; T600-H604 PolarHBondContact O-N 3.46Å; T600-H604 PolarHBondContact O-ND1 3.36Å; T600-L622 WeakPolarHBondContact CG2-O 3.34Å; T600-L623 HydrophobicContact CG2-CD2 4.34Å
601	V	85.7	Confident	83.1	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.006	32%	0.322	C	S	.	.	H	α-helix	trans	-60.8	-46.6	173.1	165.8	0	0	0	0	111.1	I584 M588 Y597 R598 K605 L606 L623	I584-V601 HydrophobicContact CG2-CG1 4.14Å; M588-V601 HydrophobicContact CE-CG2 4.38Å; M588-V601 HydrophobicContact SD-CG2 3.8Å; Y597-V601 WeakPolarHBondContact O-CG2 3.06Å; Y597-V601 PolarHBondContact O-N 3.49Å; R598-V601 PolarHBondContact O-N 2.91Å; V601-K605 WeakPolarHBondContact O-CA 3.27Å; V601-K605 PolarHBondContact O-N 2.98Å; V601-L606 HydrophobicContact CG1-CB 4.2Å; V601-L606 HydrophobicContact CG2-CD1 4.11Å; V601-L606 PolarHBondContact O-N 2.82Å; V601-L606 VanDerWaalsContact O-N 3.11Å; V601-L623 HydrophobicContact CG2-CD2 3.91Å
602	K	87.1	Confident	83.1	Confident	116 Å²	116	65 Å²	65	50%	0.504	32%	0.32	S	S	.	.	H	α-helix	trans	-66.3	-40.9	176.9	-72.7	-176.2	177.6	-173.2	0	112.3	R598 E599 H604 K605	R598-K602 WeakPolarHBondContact O-CG 3.06Å; R598-K602 PolarHBondContact O-N 2.94Å; E599-K602 PolarHBondContact O-N 3.14Å; K602-H604 PolarHBondContact O-N 3.28Å; K602-K605 PolarHBondContact O-N 3.45Å
603	K	88.5	Confident	83	Confident	167 Å²	167	63.3 Å²	63.3	73%	0.726	31%	0.313	S	S	*	.	H	α-helix	trans	-61.6	-41	178.6	-177.4	179.3	177.7	-176.3	0	112.4	E599 T600	E599-K603 WeakPolarHBondContact O-CB 3.36Å; E599-K603 PolarHBondContact O-N 3.16Å; T600-K603 PolarHBondContact O-N 2.94Å
604	H	87.1	Confident	82.8	Confident	86 Å²	86	63.9 Å²	63.9	40%	0.398	32%	0.322	S	S	.	.	H	α-helix	trans	-96.4	3.8	-179	-60.8	95	0	0	0	113.8	T600 K602 L606 L622	T600-H604 PolarHBondContact O-N 3.46Å; T600-H604 PolarHBondContact O-ND1 3.36Å; K602-H604 PolarHBondContact O-N 3.28Å; H604-L606 VanDerWaalsContact C-N 3.26Å; H604-L606 HydrophobicContact CB-CG 4.23Å; H604-L606 PolarHBondContact O-N 3.39Å; H604-L622 HydrophobicContact CB-CD2 4.24Å
605	K	85.5	Confident	82.8	Confident	164 Å²	164	64.6 Å²	64.6	71%	0.713	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	44	-179.7	-59	-178	177.6	-178.6	0	112.8	T581 V601 K602 N607	T581-K605 HydrophobicContact CG2-CB 4.35Å; V601-K605 WeakPolarHBondContact O-CA 3.27Å; V601-K605 PolarHBondContact O-N 2.98Å; K602-K605 PolarHBondContact O-N 3.45Å; K605-N607 PolarHBondContact O-N 3.34Å; K605-N607 VanDerWaalsContact O-N 3.1Å
606	L	86.1	Confident	82.7	Confident	15 Å²	15	63.7 Å²	63.7	8%	0.079	32%	0.319	C	S	.	.			trans	-68.5	108.7	178.1	-64.7	175.2	0	0	0	109.6	T581 I584 V601 H604 A610 L619 L622 L623	T581-L606 WeakPolarHBondContact CG2-O 3.3Å; I584-L606 VanDerWaalsContact CD1-O 3.31Å; I584-L606 WeakPolarHBondContact CD1-O 3.5Å; V601-L606 HydrophobicContact CG1-CB 4.2Å; V601-L606 HydrophobicContact CG2-CD1 4.11Å; V601-L606 PolarHBondContact O-N 2.82Å; V601-L606 VanDerWaalsContact O-N 3.11Å; H604-L606 VanDerWaalsContact C-N 3.26Å; H604-L606 HydrophobicContact CB-CG 4.23Å; H604-L606 PolarHBondContact O-N 3.39Å; L606-A610 HydrophobicContact CD2-CB 4.32Å; L606-L619 HydrophobicContact CD1-CD2 4.35Å; L606-L619 HydrophobicContact CD2-CD2 4.13Å; L606-L622 HydrophobicContact CD1-CD2 4Å; L606-L622 HydrophobicContact CD2-CD2 4.06Å; L606-L622 HydrophobicContact CG-CD2 4.42Å; L606-L623 HydrophobicContact CD1-CD2 4.25Å
607	N	86.9	Confident	82.6	Confident	68 Å²	68	65.8 Å²	65.8	36%	0.364	32%	0.324	S	S	.	.			trans	-102	174.6	174.9	66.4	15	0	0	0	110.9	T581 I584 K605 S609 A610 L611	T581-N607 HydrophobicContact CG2-CB 4.35Å; I584-N607 VanDerWaalsContact CD1-C 3.44Å; K605-N607 PolarHBondContact O-N 3.34Å; K605-N607 VanDerWaalsContact O-N 3.1Å; N607-S609 VanDerWaalsContact C-N 3.25Å; N607-S609 PolarHBondContact O-N 2.89Å; N607-S609 PolarHBondContact OD1-N 3.46Å; N607-A610 WeakPolarHBondContact O-CB 3.2Å; N607-A610 PolarHBondContact O-N 2.97Å; N607-A610 WeakPolarHBondContact OD1-CB 3.43Å; N607-A610 PolarHBondContact OD1-N 3.5Å; N607-L611 PolarHBondContact O-N 3.16Å; N607-L611 VanDerWaalsContact O-N 3.13Å
608	G	81.2	Confident	82.6	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-53.4	-40.1	-179.6	0	0	0	0	0	114.7	L576 M579 L611 V612	L576-G608 WeakPolarHBondContact O-CA 3.26Å; M579-G608 PolarHBondContact O-N 3.35Å; G608-L611 PolarHBondContact O-N 3.45Å; G608-V612 VanDerWaalsContact O-CG2 3.23Å; G608-V612 WeakPolarHBondContact O-CG2 3.01Å; G608-V612 PolarHBondContact O-N 3.43Å; G608-V612 VanDerWaalsContact O-N 3.15Å
609	S	77.1	Confident	82.6	Confident	46 Å²	46	67.9 Å²	67.9	32%	0.322	34%	0.341	S	S	.	.	H	α-helix	trans	-68	-38	176.9	-63.6	0	0	0	0	112.5	N607 L611 V612 F613	N607-S609 VanDerWaalsContact C-N 3.25Å; N607-S609 PolarHBondContact O-N 2.89Å; N607-S609 PolarHBondContact OD1-N 3.46Å; S609-L611 VanDerWaalsContact C-N 3.31Å; S609-L611 PolarHBondContact O-N 3Å; S609-V612 PolarHBondContact O-N 3.28Å; S609-F613 VanDerWaalsContact O-CD2 3.26Å; S609-F613 WeakPolarHBondContact O-CD2 3.12Å; S609-F613 PolarHBondContact O-N 2.96Å
610	A	82.5	Confident	82.7	Confident	34 Å²	34	64.8 Å²	64.8	28%	0.281	33%	0.326	S	S	.	.	H	α-helix	trans	-66.2	-32.8	176.5	0	0	0	0	0	112.5	L606 N607 G614	L606-A610 HydrophobicContact CD2-CB 4.32Å; N607-A610 WeakPolarHBondContact O-CB 3.2Å; N607-A610 PolarHBondContact O-N 2.97Å; N607-A610 WeakPolarHBondContact OD1-CB 3.43Å; N607-A610 PolarHBondContact OD1-N 3.5Å; A610-G614 VanDerWaalsContact O-CA 3.3Å; A610-G614 WeakPolarHBondContact O-CA 3.44Å; A610-G614 PolarHBondContact O-N 3.41Å
611	L	82.4	Confident	82.7	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-72.6	-30.2	173	-67	177.4	0	0	0	112.7	L576 I584 N607 G608 S609 L619 F633 F637 L638	L576-L611 HydrophobicContact CD1-CD1 4.46Å; L576-L611 HydrophobicContact CD2-CB 4.45Å; I584-L611 HydrophobicContact CD1-CD1 3.63Å; I584-L611 HydrophobicContact CD1-CG 4.42Å; I584-L611 HydrophobicContact CG1-CD1 4.09Å; I584-L611 HydrophobicContact CG2-CD1 4.22Å; N607-L611 PolarHBondContact O-N 3.16Å; N607-L611 VanDerWaalsContact O-N 3.13Å; G608-L611 PolarHBondContact O-N 3.45Å; S609-L611 VanDerWaalsContact C-N 3.31Å; S609-L611 PolarHBondContact O-N 3Å; L611-L619 HydrophobicContact CD2-CD1 4.38Å; L611-L619 HydrophobicContact CD2-CD2 4.22Å; L611-F633 HydrophobicContact CD2-CE1 4.38Å; L611-F633 HydrophobicContact CD2-CZ 3.95Å; L611-F637 HydrophobicContact CD1-CD1 4.11Å; L611-L638 HydrophobicContact CB-CD2 4.38Å; L611-L638 WeakPolarHBondContact O-CD2 3.25Å
612	V	77	Confident	82.7	Confident	14 Å²	14	72 Å²	72	9%	0.085	37%	0.366	C	S	.	.	H	α-helix	trans	-80.7	-41.7	-178.5	173.3	0	0	0	0	113.2	V573 L576 I577 G608 S609 F640	V573-V612 HydrophobicContact CG1-CG1 4.34Å; V573-V612 HydrophobicContact CG1-CG2 4.4Å; L576-V612 HydrophobicContact CB-CG2 4.46Å; L576-V612 HydrophobicContact CD2-CG2 3.52Å; L576-V612 HydrophobicContact CG-CG2 4.11Å; I577-V612 HydrophobicContact CD1-CG1 4.4Å; I577-V612 HydrophobicContact CG1-CB 4.3Å; I577-V612 HydrophobicContact CG1-CG1 4.18Å; I577-V612 HydrophobicContact CG1-CG2 3.8Å; G608-V612 VanDerWaalsContact O-CG2 3.23Å; G608-V612 WeakPolarHBondContact O-CG2 3.01Å; G608-V612 PolarHBondContact O-N 3.43Å; G608-V612 VanDerWaalsContact O-N 3.15Å; S609-V612 PolarHBondContact O-N 3.28Å; V612-F640 HydrophobicContact CB-CE2 4.18Å; V612-F640 HydrophobicContact CB-CZ 4.11Å; V612-F640 HydrophobicContact CG1-CE2 3.94Å; V612-F640 HydrophobicContact CG1-CZ 4.35Å; V612-F640 HydrophobicContact CG2-CE1 4.3Å; V612-F640 HydrophobicContact CG2-CE2 4.15Å; V612-F640 HydrophobicContact CG2-CZ 3.74Å
613	F	76.8	Confident	82.6	Confident	160 Å²	160	66.7 Å²	66.7	70%	0.702	34%	0.344	S	S	*	.	H	α-helix	trans	-105.4	-4.7	-174.1	-59	-69	0	0	0	113.6	S609	S609-F613 VanDerWaalsContact O-CD2 3.26Å; S609-F613 WeakPolarHBondContact O-CD2 3.12Å; S609-F613 PolarHBondContact O-N 2.96Å
614	G	77	Confident	82.4	Confident	26 Å²	26	61.6 Å²	61.6	27%	0.268	34%	0.338	S	S	.	.	S	Bend	trans	-77.6	152.4	178.4	0	0	0	0	0	113.1	A610	A610-G614 VanDerWaalsContact O-CA 3.3Å; A610-G614 WeakPolarHBondContact O-CA 3.44Å; A610-G614 PolarHBondContact O-N 3.41Å
615	D	79.6	Confident	82.3	Confident	92 Å²	92	58.2 Å²	58.2	49%	0.492	32%	0.323	S	S	.	.			trans	-70.1	133.4	174.1	-169.6	-69.5	0	0	0	110.8	E617 D618 L619	D615-E617 VanDerWaalsContact C-N 3.35Å; D615-E617 PolarHBondContact O-N 3.34Å; D615-E617 WeakPolarHBondContact OD1-CB 3.44Å; D615-E617 PolarHBondContact OD1-N 3.01Å; D615-D618 HydrophobicContact CB-CB 4.19Å; D615-D618 PolarHBondContact O-N 2.84Å; D615-D618 PolarHBondContact OD1-N 3.37Å; D615-L619 WeakPolarHBondContact O-CG 3.19Å; D615-L619 PolarHBondContact O-N 3.46Å
616	T	79.9	Confident	82.2	Confident	34 Å²	34	54.2 Å²	54.2	21%	0.209	31%	0.312	C	S	.	.	H	α-helix	trans	-69.3	-29.9	-175.5	54.1	0	0	0	0	113.7	K620 W630 L638 L641	T616-K620 PolarHBondContact O-N 2.94Å; T616-W630 VanDerWaalsContact O-CZ2 3.3Å; T616-W630 WeakPolarHBondContact O-CZ2 3.48Å; T616-L638 HydrophobicContact CG2-CD1 4.44Å; T616-L641 HydrophobicContact CG2-CD1 3.87Å
617	E	79.6	Confident	81.9	Confident	107 Å²	107	61.1 Å²	61.1	50%	0.5	34%	0.342	S	S	.	.	H	α-helix	trans	-77.8	-38.1	178.8	-64.2	-58.1	143.3	0	0	110.8	D615 K620 V621	D615-E617 VanDerWaalsContact C-N 3.35Å; D615-E617 PolarHBondContact O-N 3.34Å; D615-E617 WeakPolarHBondContact OD1-CB 3.44Å; D615-E617 PolarHBondContact OD1-N 3.01Å; E617-K620 WeakPolarHBondContact O-CB 3.29Å; E617-K620 PolarHBondContact O-N 2.93Å; E617-V621 WeakPolarHBondContact O-CG2 3.35Å; E617-V621 PolarHBondContact O-N 3.04Å
618	D	83.7	Confident	81.4	Confident	114 Å²	114	60 Å²	60	61%	0.61	35%	0.346	S	S	*	.	H	α-helix	trans	-64.2	-41.1	173.7	-71.7	-19.7	0	0	0	111.6	D615 K620 V621 L622	D615-D618 HydrophobicContact CB-CB 4.19Å; D615-D618 PolarHBondContact O-N 2.84Å; D615-D618 PolarHBondContact OD1-N 3.37Å; D618-K620 VanDerWaalsContact C-N 3.32Å; D618-K620 PolarHBondContact O-N 3.44Å; D618-V621 PolarHBondContact O-N 3.09Å; D618-L622 VanDerWaalsContact O-CB 3.24Å; D618-L622 WeakPolarHBondContact O-CB 3.27Å; D618-L622 PolarHBondContact O-N 3.36Å
619	L	84.7	Confident	81.4	Confident	9 Å²	9	62.9 Å²	62.9	5%	0.047	36%	0.36	C	S	.	.	H	α-helix	trans	-62.3	-38.2	175.1	-77.3	168.6	0	0	0	112.3	L606 L611 D615 L622 L623 W630 L638	L606-L619 HydrophobicContact CD1-CD2 4.35Å; L606-L619 HydrophobicContact CD2-CD2 4.13Å; L611-L619 HydrophobicContact CD2-CD1 4.38Å; L611-L619 HydrophobicContact CD2-CD2 4.22Å; D615-L619 WeakPolarHBondContact O-CG 3.19Å; D615-L619 PolarHBondContact O-N 3.46Å; L619-L622 PolarHBondContact O-N 3.43Å; L619-L623 WeakPolarHBondContact O-CB 3.21Å; L619-L623 WeakPolarHBondContact O-CG 3.26Å; L619-L623 PolarHBondContact O-N 2.85Å; L619-W630 HydrophobicContact CB-CH2 3.87Å; L619-L638 HydrophobicContact CD1-CD2 4.47Å
620	K	83.7	Confident	81.8	Confident	71 Å²	71	61.3 Å²	61.3	31%	0.309	35%	0.347	S	S	.	.	H	α-helix	trans	-65.4	-43.7	177.4	-172.1	-179.1	179.8	-173	0	111.8	T616 E617 D618 G624 W630	T616-K620 PolarHBondContact O-N 2.94Å; E617-K620 WeakPolarHBondContact O-CB 3.29Å; E617-K620 PolarHBondContact O-N 2.93Å; D618-K620 VanDerWaalsContact C-N 3.32Å; D618-K620 PolarHBondContact O-N 3.44Å; K620-G624 PolarHBondContact O-N 2.99Å; K620-G624 VanDerWaalsContact O-N 3.13Å; K620-W630 HydrophobicContact CB-CD2 4.07Å; K620-W630 HydrophobicContact CB-CE3 4.29Å; K620-W630 HydrophobicContact CB-CH2 3.82Å; K620-W630 HydrophobicContact CB-CZ2 3.56Å; K620-W630 HydrophobicContact CB-CZ3 4.19Å; K620-W630 HydrophobicContact CD-CD2 4.33Å; K620-W630 HydrophobicContact CD-CG 4.33Å; K620-W630 HydrophobicContact CD-CZ2 4.48Å; K620-W630 HydrophobicContact CG-CD2 3.75Å; K620-W630 HydrophobicContact CG-CE3 4.25Å; K620-W630 HydrophobicContact CG-CG 4.04Å; K620-W630 HydrophobicContact CG-CZ2 4.1Å
621	V	85.1	Confident	81.5	Confident	119 Å²	119	62.3 Å²	62.3	72%	0.721	35%	0.35	S	S	*	.	H	α-helix	trans	-66.4	-41.9	177	174.3	0	0	0	0	110.6	E617 D618 G624	E617-V621 WeakPolarHBondContact O-CG2 3.35Å; E617-V621 PolarHBondContact O-N 3.04Å; D618-V621 PolarHBondContact O-N 3.09Å; V621-G624 PolarHBondContact O-N 3.33Å
622	L	86	Confident	81.3	Confident	67 Å²	67	64.5 Å²	64.5	35%	0.351	36%	0.363	S	S	.	.	H	α-helix	trans	-64.2	-41.8	-179.4	-171.8	73	0	0	0	112.8	T600 H604 L606 D618 L619	T600-L622 WeakPolarHBondContact CG2-O 3.34Å; H604-L622 HydrophobicContact CB-CD2 4.24Å; L606-L622 HydrophobicContact CD1-CD2 4Å; L606-L622 HydrophobicContact CD2-CD2 4.06Å; L606-L622 HydrophobicContact CG-CD2 4.42Å; D618-L622 VanDerWaalsContact O-CB 3.24Å; D618-L622 WeakPolarHBondContact O-CB 3.27Å; D618-L622 PolarHBondContact O-N 3.36Å; L619-L622 PolarHBondContact O-N 3.43Å
623	L	84.5	Confident	81.6	Confident	6 Å²	6	63.9 Å²	63.9	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-84.2	-18.3	-177.1	-71.1	166	0	0	0	113.1	Y597 T600 V601 L606 L619 M625 W630 F633	Y597-L623 VanDerWaalsContact CD1-O 3.25Å; Y597-L623 WeakPolarHBondContact CD1-O 3.35Å; Y597-L623 VanDerWaalsContact CE1-O 3.32Å; Y597-L623 WeakPolarHBondContact CE1-O 3.4Å; T600-L623 HydrophobicContact CG2-CD2 4.34Å; V601-L623 HydrophobicContact CG2-CD2 3.91Å; L606-L623 HydrophobicContact CD1-CD2 4.25Å; L619-L623 WeakPolarHBondContact O-CB 3.21Å; L619-L623 WeakPolarHBondContact O-CG 3.26Å; L619-L623 PolarHBondContact O-N 2.85Å; L623-M625 HydrophobicContact CB-CE 4Å; L623-M625 HydrophobicContact CB-CG 4Å; L623-M625 HydrophobicContact CB-SD 4.14Å; L623-M625 HydrophobicContact CD1-CE 3.93Å; L623-M625 HydrophobicContact CD1-SD 4.34Å; L623-M625 HydrophobicContact CD2-CE 4.16Å; L623-M625 HydrophobicContact CG-CE 4.25Å; L623-M625 PolarHBondContact O-N 2.84Å; L623-M625 VanDerWaalsContact O-N 3.11Å; L623-W630 HydrophobicContact CD1-CZ3 3.94Å; L623-F633 HydrophobicContact CD1-CD1 4.45Å; L623-F633 HydrophobicContact CD1-CE1 3.89Å; L623-F633 HydrophobicContact CD1-CE2 4.48Å; L623-F633 HydrophobicContact CD1-CZ 3.91Å
624	G	83.2	Confident	81.7	Confident	59 Å²	59	59.8 Å²	59.8	61%	0.608	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	23.9	174.3	0	0	0	0	0	114.5	K620 V621	K620-G624 PolarHBondContact O-N 2.99Å; K620-G624 VanDerWaalsContact O-N 3.13Å; V621-G624 PolarHBondContact O-N 3.33Å
625	M	84.9	Confident	81.5	Confident	16 Å²	16	62.2 Å²	62.2	8%	0.079	35%	0.348	C	S	.	.			trans	-71.9	150.8	-173.3	-71.1	173.2	177.2	0	0	112.7	M588 Y597 L623 E629 W630 F633	M588-M625 HydrophobicContact CE-CE 3.85Å; Y597-M625 HydrophobicContact CD1-CE 4.03Å; Y597-M625 HydrophobicContact CD1-CG 3.68Å; Y597-M625 HydrophobicContact CD2-CE 4.11Å; Y597-M625 HydrophobicContact CD2-CG 4.36Å; Y597-M625 HydrophobicContact CE1-CB 4.16Å; Y597-M625 HydrophobicContact CE1-CG 3.42Å; Y597-M625 VanDerWaalsContact CE1-CG 3.42Å; Y597-M625 HydrophobicContact CE2-CG 4.12Å; Y597-M625 HydrophobicContact CG-CE 3.73Å; Y597-M625 HydrophobicContact CG-CG 4.15Å; L623-M625 HydrophobicContact CB-CE 4Å; L623-M625 HydrophobicContact CB-CG 4Å; L623-M625 HydrophobicContact CB-SD 4.14Å; L623-M625 HydrophobicContact CD1-CE 3.93Å; L623-M625 HydrophobicContact CD1-SD 4.34Å; L623-M625 HydrophobicContact CD2-CE 4.16Å; L623-M625 HydrophobicContact CG-CE 4.25Å; L623-M625 PolarHBondContact O-N 2.84Å; L623-M625 VanDerWaalsContact O-N 3.11Å; M625-E629 HydrophobicContact CB-CB 4.42Å; M625-W630 HydrophobicContact CB-CB 4.03Å; M625-W630 HydrophobicContact CB-CE3 4.47Å; M625-W630 HydrophobicContact SD-CE3 3.82Å; M625-W630 HydrophobicContact SD-CZ3 4.43Å; M625-F633 HydrophobicContact CE-CB 4.48Å; M625-F633 HydrophobicContact CE-CD2 3.88Å; M625-F633 HydrophobicContact CE-CE2 4.32Å; M625-F633 HydrophobicContact CE-CG 4.14Å; M625-F633 HydrophobicContact SD-CB 3.92Å; M625-F633 HydrophobicContact SD-CD1 4.47Å; M625-F633 HydrophobicContact SD-CD2 4.36Å; M625-F633 HydrophobicContact SD-CG 4Å
626	T	83.8	Confident	81.4	Confident	80 Å²	80	57.9 Å²	57.9	49%	0.491	33%	0.325	S	S	.	.			trans	-66.2	157.6	168.7	67.6	0	0	0	0	111	G628 E629 W630	T626-G628 VanDerWaalsContact C-N 3.26Å; T626-G628 PolarHBondContact O-N 3.48Å; T626-E629 WeakPolarHBondContact CG2-OE2 2.99Å; T626-E629 PolarHBondContact N-OE2 2.83Å; T626-E629 PolarHBondContact O-N 3.49Å; T626-E629 VanDerWaalsContact OG1-CG 3.31Å; T626-E629 WeakPolarHBondContact OG1-CG 2.9Å; T626-E629 PolarHBondContact OG1-OE2 3.07Å; T626-W630 VanDerWaalsContact O-CB 3.29Å; T626-W630 WeakPolarHBondContact O-CB 3.42Å; T626-W630 PolarHBondContact O-N 2.96Å
627	F	79.9	Confident	81.4	Confident	159 Å²	159	56.3 Å²	56.3	70%	0.697	32%	0.315	S	S	*	.	H	α-helix	trans	-56.5	-37.8	-176.8	-176	-96.4	0	0	0	113.2	T631	F627-T631 WeakPolarHBondContact O-CB 3.2Å; F627-T631 PolarHBondContact O-N 2.81Å; F627-T631 PolarHBondContact O-OG1 3.04Å
628	G	76.3	Confident	81.2	Confident	45 Å²	45	51.2 Å²	51.2	46%	0.464	29%	0.291	S	S	.	.	H	α-helix	trans	-70.3	-42.6	178.3	0	0	0	0	0	113.3	T626 T631 T632	T626-G628 VanDerWaalsContact C-N 3.26Å; T626-G628 PolarHBondContact O-N 3.48Å; G628-T631 PolarHBondContact O-N 2.81Å; G628-T632 PolarHBondContact O-N 3.3Å; G628-T632 VanDerWaalsContact O-N 3.14Å; G628-T632 PolarHBondContact O-OG1 3.36Å
629	E	82.6	Confident	80.2	Confident	60 Å²	60	47.4 Å²	47.4	28%	0.28	27%	0.273	S	S	.	.	H	α-helix	trans	-70.7	-40.3	178.6	-67	166.8	147.3	0	0	111.3	L593 Y597 M625 T626 T631 T632 F633	L593-E629 HydrophobicContact CD2-CB 4.29Å; Y597-E629 PolarHBondContact OH-OE2 3.01Å; M625-E629 HydrophobicContact CB-CB 4.42Å; T626-E629 WeakPolarHBondContact CG2-OE2 2.99Å; T626-E629 PolarHBondContact N-OE2 2.83Å; T626-E629 PolarHBondContact O-N 3.49Å; T626-E629 VanDerWaalsContact OG1-CG 3.31Å; T626-E629 WeakPolarHBondContact OG1-CG 2.9Å; T626-E629 PolarHBondContact OG1-OE2 3.07Å; E629-T631 VanDerWaalsContact C-N 3.32Å; E629-T631 PolarHBondContact O-N 2.78Å; E629-T632 PolarHBondContact O-N 2.93Å; E629-F633 WeakPolarHBondContact O-CB 3.33Å; E629-F633 PolarHBondContact O-N 2.86Å
630	W	84.6	Confident	79	Confident	13 Å²	13	50.1 Å²	50.1	5%	0.049	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-40.8	174.1	178.6	-110.3	0	0	0	112.2	T616 L619 K620 L623 M625 T626 T632 F633 K634 L638	T616-W630 VanDerWaalsContact O-CZ2 3.3Å; T616-W630 WeakPolarHBondContact O-CZ2 3.48Å; L619-W630 HydrophobicContact CB-CH2 3.87Å; K620-W630 HydrophobicContact CB-CD2 4.07Å; K620-W630 HydrophobicContact CB-CE3 4.29Å; K620-W630 HydrophobicContact CB-CH2 3.82Å; K620-W630 HydrophobicContact CB-CZ2 3.56Å; K620-W630 HydrophobicContact CB-CZ3 4.19Å; K620-W630 HydrophobicContact CD-CD2 4.33Å; K620-W630 HydrophobicContact CD-CG 4.33Å; K620-W630 HydrophobicContact CD-CZ2 4.48Å; K620-W630 HydrophobicContact CG-CD2 3.75Å; K620-W630 HydrophobicContact CG-CE3 4.25Å; K620-W630 HydrophobicContact CG-CG 4.04Å; K620-W630 HydrophobicContact CG-CZ2 4.1Å; L623-W630 HydrophobicContact CD1-CZ3 3.94Å; M625-W630 HydrophobicContact CB-CB 4.03Å; M625-W630 HydrophobicContact CB-CE3 4.47Å; M625-W630 HydrophobicContact SD-CE3 3.82Å; M625-W630 HydrophobicContact SD-CZ3 4.43Å; T626-W630 VanDerWaalsContact O-CB 3.29Å; T626-W630 WeakPolarHBondContact O-CB 3.42Å; T626-W630 PolarHBondContact O-N 2.96Å; W630-T632 VanDerWaalsContact C-N 3.33Å; W630-F633 HydrophobicContact CE3-CD1 4.04Å; W630-F633 HydrophobicContact CH2-CD1 4.31Å; W630-F633 HydrophobicContact CH2-CE1 4.49Å; W630-F633 AromaticContact CZ3-CD1 3.66Å; W630-F633 HydrophobicContact CZ3-CD1 3.66Å; W630-F633 HydrophobicContact CZ3-CE1 4Å; W630-F633 PolarHBondContact O-N 2.86Å; W630-K634 VanDerWaalsContact O-CB 3.24Å; W630-K634 WeakPolarHBondContact O-CB 3.49Å; W630-K634 PolarHBondContact O-N 3.37Å; W630-L638 HydrophobicContact CH2-CD1 4.01Å; W630-L638 HydrophobicContact CZ2-CD1 4.28Å
631	T	76.8	Confident	77.2	Confident	55 Å²	55	49.6 Å²	49.6	34%	0.337	29%	0.285	S	S	.	.	H	α-helix	trans	-64.4	-42.3	177.5	-58.1	0	0	0	0	110.7	F627 G628 E629 K634 L635	F627-T631 WeakPolarHBondContact O-CB 3.2Å; F627-T631 PolarHBondContact O-N 2.81Å; F627-T631 PolarHBondContact O-OG1 3.04Å; G628-T631 PolarHBondContact O-N 2.81Å; E629-T631 VanDerWaalsContact C-N 3.32Å; E629-T631 PolarHBondContact O-N 2.78Å; T631-K634 PolarHBondContact O-N 3.2Å; T631-L635 HydrophobicContact CG2-CD1 3.97Å; T631-L635 WeakPolarHBondContact O-CB 3.08Å; T631-L635 WeakPolarHBondContact O-CD1 3.31Å; T631-L635 WeakPolarHBondContact O-CG 3.44Å; T631-L635 PolarHBondContact O-N 2.85Å
632	T	77.6	Confident	74.8	Confident	48 Å²	48	47.4 Å²	47.4	29%	0.294	28%	0.275	S	S	.	.	H	α-helix	trans	-63.9	-44.2	175.6	-46	0	0	0	0	111.4	M591 G628 E629 W630 L635 H636	M591-T632 HydrophobicContact CE-CG2 3.59Å; G628-T632 PolarHBondContact O-N 3.3Å; G628-T632 VanDerWaalsContact O-N 3.14Å; G628-T632 PolarHBondContact O-OG1 3.36Å; E629-T632 PolarHBondContact O-N 2.93Å; W630-T632 VanDerWaalsContact C-N 3.33Å; T632-L635 PolarHBondContact O-N 3.09Å; T632-H636 PolarHBondContact O-N 3.05Å; T632-H636 VanDerWaalsContact O-N 3.13Å
633	F	83.5	Confident	72.3	Confident	1 Å²	1	48.8 Å²	48.8	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-61.8	-45.8	175.5	-178.5	-92.7	0	0	0	111.9	M588 L593 L611 L623 M625 E629 W630 L635 H636 F637 L638	M588-F633 HydrophobicContact CE-CE2 4.36Å; M588-F633 HydrophobicContact CG-CE2 4.43Å; M588-F633 HydrophobicContact SD-CE2 4.11Å; L593-F633 HydrophobicContact CD1-CD2 4.18Å; L611-F633 HydrophobicContact CD2-CE1 4.38Å; L611-F633 HydrophobicContact CD2-CZ 3.95Å; L623-F633 HydrophobicContact CD1-CD1 4.45Å; L623-F633 HydrophobicContact CD1-CE1 3.89Å; L623-F633 HydrophobicContact CD1-CE2 4.48Å; L623-F633 HydrophobicContact CD1-CZ 3.91Å; M625-F633 HydrophobicContact CE-CB 4.48Å; M625-F633 HydrophobicContact CE-CD2 3.88Å; M625-F633 HydrophobicContact CE-CE2 4.32Å; M625-F633 HydrophobicContact CE-CG 4.14Å; M625-F633 HydrophobicContact SD-CB 3.92Å; M625-F633 HydrophobicContact SD-CD1 4.47Å; M625-F633 HydrophobicContact SD-CD2 4.36Å; M625-F633 HydrophobicContact SD-CG 4Å; E629-F633 WeakPolarHBondContact O-CB 3.33Å; E629-F633 PolarHBondContact O-N 2.86Å; W630-F633 HydrophobicContact CE3-CD1 4.04Å; W630-F633 HydrophobicContact CH2-CD1 4.31Å; W630-F633 HydrophobicContact CH2-CE1 4.49Å; W630-F633 AromaticContact CZ3-CD1 3.66Å; W630-F633 HydrophobicContact CZ3-CD1 3.66Å; W630-F633 HydrophobicContact CZ3-CE1 4Å; W630-F633 PolarHBondContact O-N 2.86Å; F633-L635 PolarHBondContact O-N 2.79Å; F633-H636 PolarHBondContact O-N 3.29Å; F633-F637 AromaticContact CD2-CD2 3.44Å; F633-F637 HydrophobicContact CD2-CD2 3.44Å; F633-F637 VanDerWaalsContact CD2-CD2 3.44Å; F633-F637 AromaticContact CD2-CE2 3.85Å; F633-F637 HydrophobicContact CD2-CE2 3.85Å; F633-F637 HydrophobicContact CD2-CG 4.39Å; F633-F637 HydrophobicContact CE1-CB 4.3Å; F633-F637 HydrophobicContact CE2-CB 4.38Å; F633-F637 AromaticContact CE2-CD2 3.37Å; F633-F637 HydrophobicContact CE2-CD2 3.37Å; F633-F637 AromaticContact CE2-CE2 3.75Å; F633-F637 HydrophobicContact CE2-CE2 3.75Å; F633-F637 AromaticContact CE2-CG 4Å; F633-F637 HydrophobicContact CE2-CG 4Å; F633-F637 HydrophobicContact CG-CD2 4.12Å; F633-F637 HydrophobicContact CZ-CB 4.15Å; F633-F637 HydrophobicContact CZ-CD2 4Å; F633-F637 HydrophobicContact CZ-CG 4.2Å; F633-F637 PolarHBondContact O-N 3.16Å; F633-L638 HydrophobicContact CD1-CD1 4.35Å; F633-L638 HydrophobicContact CE1-CD1 4.15Å; F633-L638 HydrophobicContact CE1-CG 4.43Å
634	K	79.9	Confident	69.7	Low	74 Å²	74	54.1 Å²	54.1	32%	0.322	33%	0.326	S	S	.	.	H	α-helix	trans	-62.3	-42.2	178.3	-173	178.4	179.8	173.7	0	111.7	W630 T631 H636 L638 S639	W630-K634 VanDerWaalsContact O-CB 3.24Å; W630-K634 WeakPolarHBondContact O-CB 3.49Å; W630-K634 PolarHBondContact O-N 3.37Å; T631-K634 PolarHBondContact O-N 3.2Å; K634-H636 VanDerWaalsContact C-N 3.3Å; K634-H636 PolarHBondContact O-N 3.13Å; K634-L638 HydrophobicContact CG-CB 4.02Å; K634-L638 HydrophobicContact CG-CD1 4.38Å; K634-L638 CarbonylContact O-C 3.53Å; K634-L638 VanDerWaalsContact O-CA 3.29Å; K634-L638 WeakPolarHBondContact O-CA 3.24Å; K634-L638 WeakPolarHBondContact O-CB 3.34Å; K634-L638 PolarHBondContact O-N 3.22Å; K634-S639 PolarHBondContact O-N 3.46Å; K634-S639 VanDerWaalsContact O-N 3.13Å
635	L	72.4	Confident	67.1	Low	77 Å²	77	55.1 Å²	55.1	40%	0.403	32%	0.324	S	S	.	.	H	α-helix	trans	-65.2	-30.7	176.8	-80.8	161.7	0	0	0	113.1	I568 T631 T632 F633 S639	I568-L635 HydrophobicContact CG2-CB 4.03Å; T631-L635 HydrophobicContact CG2-CD1 3.97Å; T631-L635 WeakPolarHBondContact O-CB 3.08Å; T631-L635 WeakPolarHBondContact O-CD1 3.31Å; T631-L635 WeakPolarHBondContact O-CG 3.44Å; T631-L635 PolarHBondContact O-N 2.85Å; T632-L635 PolarHBondContact O-N 3.09Å; F633-L635 PolarHBondContact O-N 2.79Å; L635-S639 VanDerWaalsContact CA-OG 3.31Å; L635-S639 WeakPolarHBondContact CA-OG 3.34Å; L635-S639 PolarHBondContact O-OG 2.81Å
636	H	77.6	Confident	64.4	Low	2 Å²	2	61.4 Å²	61.4	1%	0.009	35%	0.352	C	S	.	.	H	α-helix	trans	-90.9	-45.4	-177.8	-167.6	65.7	0	0	0	113.2	A569 P570 L571 E587 M591 T632 F633 K634	A569-H636 PolarHBondContact O-CE1 3.41Å; A569-H636 PolarHBondContact O-ND1 3.34Å; P570-H636 WeakPolarHBondContact CA-O 3.2Å; L571-H636 PolarHBondContact N-O 3.08Å; E587-H636 IonicContact OE2-NE2 3.66Å; M591-H636 HydrophobicContact CE-CB 3.31Å; M591-H636 HydrophobicContact SD-CB 3.65Å; M591-H636 PolarHBondContact SD-CD2 2.92Å; T632-H636 PolarHBondContact O-N 3.05Å; T632-H636 VanDerWaalsContact O-N 3.13Å; F633-H636 PolarHBondContact O-N 3.29Å; K634-H636 VanDerWaalsContact C-N 3.3Å; K634-H636 PolarHBondContact O-N 3.13Å
637	F	79.1	Confident	61.7	Low	1 Å²	1	63.2 Å²	63.2	0%	0.004	37%	0.368	C	S	.	.	H	α-helix	trans	-102.1	-16.9	-173.1	-70.5	-78.8	0	0	0	114.5	L571 L576 I584 E587 M588 M591 L611 F633 F640	L571-F637 HydrophobicContact CD1-CD1 3.73Å; L571-F637 HydrophobicContact CD1-CE1 3.61Å; L571-F637 HydrophobicContact CD1-CZ 4.48Å; L576-F637 HydrophobicContact CD1-CD1 3.76Å; L576-F637 HydrophobicContact CD1-CE1 4.49Å; L576-F637 VanDerWaalsContact CD2-O 3.26Å; L576-F637 WeakPolarHBondContact CD2-O 3.27Å; I584-F637 HydrophobicContact CG2-CE1 4.22Å; I584-F637 HydrophobicContact CG2-CZ 4.37Å; E587-F637 HydrophobicContact CB-CE1 4.03Å; E587-F637 HydrophobicContact CB-CZ 3.66Å; M588-F637 HydrophobicContact CG-CE2 3.79Å; M588-F637 HydrophobicContact CG-CZ 3.86Å; M591-F637 HydrophobicContact SD-CD2 4.34Å; M591-F637 HydrophobicContact SD-CE2 3.73Å; L611-F637 HydrophobicContact CD1-CD1 4.11Å; F633-F637 AromaticContact CD2-CD2 3.44Å; F633-F637 HydrophobicContact CD2-CD2 3.44Å; F633-F637 VanDerWaalsContact CD2-CD2 3.44Å; F633-F637 AromaticContact CD2-CE2 3.85Å; F633-F637 HydrophobicContact CD2-CE2 3.85Å; F633-F637 HydrophobicContact CD2-CG 4.39Å; F633-F637 HydrophobicContact CE1-CB 4.3Å; F633-F637 HydrophobicContact CE2-CB 4.38Å; F633-F637 AromaticContact CE2-CD2 3.37Å; F633-F637 HydrophobicContact CE2-CD2 3.37Å; F633-F637 AromaticContact CE2-CE2 3.75Å; F633-F637 HydrophobicContact CE2-CE2 3.75Å; F633-F637 AromaticContact CE2-CG 4Å; F633-F637 HydrophobicContact CE2-CG 4Å; F633-F637 HydrophobicContact CG-CD2 4.12Å; F633-F637 HydrophobicContact CZ-CB 4.15Å; F633-F637 HydrophobicContact CZ-CD2 4Å; F633-F637 HydrophobicContact CZ-CG 4.2Å; F633-F637 PolarHBondContact O-N 3.16Å; F637-F640 WeakPolarHBondContact O-CE1 3.38Å
638	L	75.3	Confident	59.2	Low	0 Å²	0	59.9 Å²	59.9	0%	0	36%	0.361	C	S	.	.	S	Bend	trans	-130.1	15.3	-170.5	-56.2	174.6	0	0	0	113.5	L611 T616 L619 W630 F633 K634 F640 L641	L611-L638 HydrophobicContact CB-CD2 4.38Å; L611-L638 WeakPolarHBondContact O-CD2 3.25Å; T616-L638 HydrophobicContact CG2-CD1 4.44Å; L619-L638 HydrophobicContact CD1-CD2 4.47Å; W630-L638 HydrophobicContact CH2-CD1 4.01Å; W630-L638 HydrophobicContact CZ2-CD1 4.28Å; F633-L638 HydrophobicContact CD1-CD1 4.35Å; F633-L638 HydrophobicContact CE1-CD1 4.15Å; F633-L638 HydrophobicContact CE1-CG 4.43Å; K634-L638 HydrophobicContact CG-CB 4.02Å; K634-L638 HydrophobicContact CG-CD1 4.38Å; K634-L638 CarbonylContact O-C 3.53Å; K634-L638 VanDerWaalsContact O-CA 3.29Å; K634-L638 WeakPolarHBondContact O-CA 3.24Å; K634-L638 WeakPolarHBondContact O-CB 3.34Å; K634-L638 PolarHBondContact O-N 3.22Å; L638-F640 HydrophobicContact CD2-CZ 4.38Å; L638-F640 PolarHBondContact O-N 3.05Å; L638-L641 HydrophobicContact CB-CD1 4.21Å; L638-L641 HydrophobicContact CD2-CD1 3.84Å; L638-L641 WeakPolarHBondContact O-CB 3.21Å; L638-L641 PolarHBondContact O-N 3.11Å
639	S	62.8	Low	56.7	Low	34 Å²	34	68.5 Å²	68.5	24%	0.238	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-65.4	-21.6	-175.8	-80.3	0	0	0	0	114.8	P570 K634 L635 L641 S642	P570-S639 VanDerWaalsContact CB-CB 3.47Å; K634-S639 PolarHBondContact O-N 3.46Å; K634-S639 VanDerWaalsContact O-N 3.13Å; L635-S639 VanDerWaalsContact CA-OG 3.31Å; L635-S639 WeakPolarHBondContact CA-OG 3.34Å; L635-S639 PolarHBondContact O-OG 2.81Å; S639-L641 PolarHBondContact O-N 3.28Å; S639-S642 PolarHBondContact O-N 3.47Å
640	F	58.8	Low	53.9	Low	66 Å²	66	70.9 Å²	70.9	29%	0.289	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-71	-16.5	172.4	61.1	-86.8	0	0	0	113.4	V573 L576 V612 F637 L638 S642	V573-F640 HydrophobicContact CG2-CB 3.33Å; V573-F640 HydrophobicContact CG2-CD1 3.75Å; V573-F640 HydrophobicContact CG2-CD2 4.16Å; V573-F640 HydrophobicContact CG2-CG 3.47Å; V573-F640 VanDerWaalsContact CG2-CG 3.47Å; L576-F640 HydrophobicContact CD2-CD1 4.3Å; L576-F640 HydrophobicContact CD2-CE1 3.36Å; L576-F640 HydrophobicContact CD2-CZ 3.89Å; V612-F640 HydrophobicContact CB-CE2 4.18Å; V612-F640 HydrophobicContact CB-CZ 4.11Å; V612-F640 HydrophobicContact CG1-CE2 3.94Å; V612-F640 HydrophobicContact CG1-CZ 4.35Å; V612-F640 HydrophobicContact CG2-CE1 4.3Å; V612-F640 HydrophobicContact CG2-CE2 4.15Å; V612-F640 HydrophobicContact CG2-CZ 3.74Å; F637-F640 WeakPolarHBondContact O-CE1 3.38Å; L638-F640 HydrophobicContact CD2-CZ 4.38Å; L638-F640 PolarHBondContact O-N 3.05Å; F640-S642 VanDerWaalsContact C-N 3.35Å
641	L	47	Very low	51	Low	60 Å²	60	75.9 Å²	75.9	31%	0.314	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-90	5.1	177	-73.6	157	0	0	0	113	T616 L638 S639 P643	T616-L641 HydrophobicContact CG2-CD1 3.87Å; L638-L641 HydrophobicContact CB-CD1 4.21Å; L638-L641 HydrophobicContact CD2-CD1 3.84Å; L638-L641 WeakPolarHBondContact O-CB 3.21Å; L638-L641 PolarHBondContact O-N 3.11Å; S639-L641 PolarHBondContact O-N 3.28Å; L641-P643 VanDerWaalsContact C-CD 3.44Å; L641-P643 WeakPolarHBondContact O-CD 3.4Å
642	S	34.8	Very low	48.7	Very low	72 Å²	72	83 Å²	83	50%	0.503	46%	0.456	S	S	.	.			trans	-85.2	96.5	166.9	-64.8	0	0	0	0	108.1	S639 F640 S644	S639-S642 PolarHBondContact O-N 3.47Å; F640-S642 VanDerWaalsContact C-N 3.35Å; S642-S644 PolarHBondContact O-N 2.86Å
643	P	33.7	Very low	46.3	Very low	96 Å²	96	86.2 Å²	86.2	62%	0.623	48%	0.477	S	S	*	.			trans	-60.7	123.5	150	30.6	-30.9	0	0	0	104.4	L641 S645	L641-P643 VanDerWaalsContact C-CD 3.44Å; L641-P643 WeakPolarHBondContact O-CD 3.4Å; P643-S645 PolarHBondContact O-N 3.33Å
644	S	29.7	Very low	43.7	Very low	119 Å²	119	97.1 Å²	97.1	83%	0.832	52%	0.52	S	S	*	.			trans	-63.9	63.2	148.2	49.7	0	0	0	0	107.5	S642 H646	S642-S644 PolarHBondContact O-N 2.86Å; S644-H646 PolarHBondContact O-N 2.85Å
645	S	27.3	Very low	41.2	Very low	80 Å²	80	100.4 Å²	100.4	56%	0.559	54%	0.541	S	S	*	.			trans	-64.6	104.3	172	56.2	0	0	0	0	106.1	P643	P643-S645 PolarHBondContact O-N 3.33Å
646	H	29.8	Very low	39.1	Very low	148 Å²	148	101.9 Å²	101.9	69%	0.685	56%	0.555	S	S	*	*			trans	67.5	87.7	156	-56	-59.4	0	0	0	116.4	S644 T648	S644-H646 PolarHBondContact O-N 2.85Å; H646-T648 HydrophobicContact CB-CG2 4.17Å; H646-T648 WeakPolarHBondContact CB-OG1 3.31Å; H646-T648 PolarHBondContact O-N 2.9Å
647	S	26.4	Very low	36.9	Very low	118 Å²	118	111.6 Å²	111.6	83%	0.825	60%	0.597	S	S	*	*				-68.7	58.4	125.7	168.9	0	0	0	0	109.5	R649	S647-R649 PolarHBondContact O-N 2.84Å; S647-R649 VanDerWaalsContact O-N 3.11Å
648	T	26.3	Very low	34.7	Very low	89 Å²	89	119.6 Å²	119.6	55%	0.546	63%	0.634	S	S	.	*			trans	-68.5	99.2	141.7	43.1	0	0	0	0	104.1	H646 T650	H646-T648 HydrophobicContact CB-CG2 4.17Å; H646-T648 WeakPolarHBondContact CB-OG1 3.31Å; H646-T648 PolarHBondContact O-N 2.9Å; T648-T650 PolarHBondContact O-N 3.24Å
649	R	24.2	Very low	32.6	Very low	226 Å²	226	125.9 Å²	125.9	85%	0.853	67%	0.673	S	S	*	*			trans	-54.5	94.3	144.8	-82.6	179.4	174.1	170.6	-0.8	104.9	S647 C651	S647-R649 PolarHBondContact O-N 2.84Å; S647-R649 VanDerWaalsContact O-N 3.11Å; R649-C651 PolarHBondContact O-N 3.47Å
650	T	24.2	Very low	31	Very low	109 Å²	109	130 Å²	130	67%	0.669	70%	0.7	S	S	*	*			trans	-56	94.7	156.9	36.3	0	0	0	0	105	T648 Y652	T648-T650 PolarHBondContact O-N 3.24Å; T650-Y652 VanDerWaalsContact C-N 3.34Å; T650-Y652 PolarHBondContact O-N 3.34Å
651	C	24.8	Very low	29.7	Very low	118 Å²	118	132.6 Å²	132.6	80%	0.797	72%	0.724	S	S	*	*			trans	-55.5	108.2	158.7	-86.3	0	0	0	0	105.3	R649	R649-C651 PolarHBondContact O-N 3.47Å
652	Y	26.7	Very low	29.1	Very low	206 Å²	206	135.4 Å²	135.4	81%	0.808	75%	0.748	S	S	*	*			trans	-48.9	128.2	162.8	-73.1	-85	0	0	0	107.5	T650 Y654	T650-Y652 VanDerWaalsContact C-N 3.34Å; T650-Y652 PolarHBondContact O-N 3.34Å; Y652-Y654 PolarHBondContact O-N 3.23Å; Y652-Y654 VanDerWaalsContact O-N 3.15Å
653	P	28.3	Very low	29	Very low	114 Å²	114	137.5 Å²	137.5	74%	0.74	76%	0.763	S	S	*	*			trans	-59.2	124.7	168.6	23.7	-29.1	0	0	0	107	L655	P653-L655 PolarHBondContact O-N 3.44Å
654	Y	27.6	Very low	29	Very low	230 Å²	230	138 Å²	138	90%	0.902	77%	0.769	S	S	*	*			trans	-49.9	107.8	169.2	-93	-96.7	0	0	0	108.4	Y652	Y652-Y654 PolarHBondContact O-N 3.23Å; Y652-Y654 VanDerWaalsContact O-N 3.15Å
655	L	27.4	Very low	29.3	Very low	143 Å²	143	137.5 Å²	137.5	75%	0.749	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-62.1	131.6	162.5	-114.4	90.6	0	0	0	107.4	P653 K657	P653-L655 PolarHBondContact O-N 3.44Å; L655-K657 PolarHBondContact O-N 2.85Å
656	P	29.9	Very low	29.7	Very low	109 Å²	109	144 Å²	144	71%	0.708	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-63.3	130	173.4	25.4	-30.5	0	0	0	109	H658	P656-H658 PolarHBondContact O-N 3.48Å; P656-H658 VanDerWaalsContact O-N 3.07Å
657	K	30.7	Very low	29.7	Very low	205 Å²	205	143.9 Å²	143.9	89%	0.891	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-53.1	116.4	172.4	-78.4	178	174.9	178.4	0	108.9	L655 T659	L655-K657 PolarHBondContact O-N 2.85Å; K657-T659 PolarHBondContact O-N 2.9Å
658	H	32.1	Very low	29.8	Very low	169 Å²	169	145.2 Å²	145.2	78%	0.782	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-54.4	121.6	162.4	-83.4	-86.8	0	0	0	108.9	P656 C660	P656-H658 PolarHBondContact O-N 3.48Å; P656-H658 VanDerWaalsContact O-N 3.07Å; H658-C660 PolarHBondContact O-N 3.15Å
659	T	32.1	Very low	30	Very low	133 Å²	133	148.3 Å²	148.3	82%	0.816	82%	0.821	S	S	*	*			trans	-58.2	113.1	161.7	40.5	0	0	0	0	109	K657	K657-T659 PolarHBondContact O-N 2.9Å
660	C	28.8	Very low	30.4	Very low	120 Å²	120	143.8 Å²	143.8	81%	0.811	82%	0.819	S	S	*	*			trans	-74.2	135.3	162	-79.4	0	0	0	0	109	H658	H658-C660 PolarHBondContact O-N 3.15Å
661	P	33.1	Very low	30.8	Very low	120 Å²	120	145.9 Å²	145.9	78%	0.779	83%	0.828	S	S	*	*			trans	-73.5	140.8	179.8	29.6	-31.6	0	0	0	110.7	S663	P661-S663 PolarHBondContact O-N 3.08Å; P661-S663 VanDerWaalsContact O-N 3.14Å
662	S	33.3	Very low	31.2	Very low	119 Å²	119	147.8 Å²	147.8	83%	0.832	83%	0.83	S	S	*	*			trans	-59.3	107.7	168	49.8	0	0	0	0	110.4	S664	S662-S664 PolarHBondContact O-N 3.27Å
663	S	32.2	Very low	31.5	Very low	116 Å²	116	143.6 Å²	143.6	81%	0.811	83%	0.832	S	S	*	*			trans	-79.1	105.1	162.5	55.9	0	0	0	0	109.1	P661	P661-S663 PolarHBondContact O-N 3.08Å; P661-S663 VanDerWaalsContact O-N 3.14Å
664	S	34.6	Very low	31.7	Very low	107 Å²	107	145.9 Å²	145.9	75%	0.748	84%	0.839	S	S	*	*			trans	-52	129.9	151.1	49	0	0	0	0	110.6	S662	S662-S664 PolarHBondContact O-N 3.27Å
665	S	35.8	Very low	32.1	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	83%	0.834	S	S	*	*				162.4	133.4	127.1	57.8	0	0	0	0	112.2
666	V	35.2	Very low	32.5	Very low	218 Å²	218	138.5 Å²	138.5	100%	1.321	84%	0.841	S	S	*	*			trans	85	0	167.4	-162.3	0	0	0	0	116.5

Retrieved 666 of 666 residues in 560.1 ms (Link to these results)

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