A0A5K4FD45_SCHMA Loading...

G_PROTEIN_RECEP_F1_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FD45, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 792 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	34	Very low	42.9	Very low	193 Å²	193	97.5 Å²	97.5	95%	0.951	53%	0.529	S	S	*	.				0	-58.5	0	-76.7	178.2	175.6	0	0	110.2	A3 C4 H5	M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.03Å; M1-C4 WeakPolarHBondContact O-CA 3.22Å; M1-C4 WeakPolarHBondContact O-CB 3.4Å; M1-C4 PolarHBondContact O-N 2.9Å; M1-H5 PolarHBondContact O-N 2.98Å
2	E	33.6	Very low	43.2	Very low	174 Å²	174	96 Å²	96	81%	0.813	52%	0.519	S	S	*	.	H	α-helix	trans	-48.6	-46.9	-179.9	-65.1	169.4	148.3	0	0	113.8	C4 H5 A6	E2-C4 VanDerWaalsContact C-N 3.28Å; E2-C4 PolarHBondContact O-N 3.47Å; E2-H5 CarbonylContact O-C 3.59Å; E2-H5 WeakPolarHBondContact O-CB 3.5Å; E2-H5 PolarHBondContact O-N 3.39Å; E2-A6 WeakPolarHBondContact O-CB 3.5Å; E2-A6 PolarHBondContact O-N 3.27Å
3	A	40.7	Very low	43.6	Very low	67 Å²	67	103 Å²	103	55%	0.554	54%	0.543	S	S	*	.	H	α-helix	trans	-59.2	-33.1	175.8	0	0	0	0	0	114.4	M1 A6 N7	M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.03Å; A3-A6 PolarHBondContact O-N 3.32Å; A3-N7 PolarHBondContact O-N 2.97Å
4	C	40.1	Very low	44.1	Very low	18 Å²	18	106.2 Å²	106.2	12%	0.122	56%	0.56	C	S	.	*	H	α-helix	trans	-77.3	-39	177.8	-155.5	0	0	0	0	110.7	M1 E2 A6 I8 G579 C580	M1-C4 WeakPolarHBondContact O-CA 3.22Å; M1-C4 WeakPolarHBondContact O-CB 3.4Å; M1-C4 PolarHBondContact O-N 2.9Å; E2-C4 VanDerWaalsContact C-N 3.28Å; E2-C4 PolarHBondContact O-N 3.47Å; C4-A6 VanDerWaalsContact C-N 3.31Å; C4-A6 PolarHBondContact O-N 2.97Å; C4-I8 WeakPolarHBondContact O-CB 3.31Å; C4-I8 WeakPolarHBondContact O-CD1 3.45Å; C4-I8 WeakPolarHBondContact O-CG1 3.45Å; C4-I8 PolarHBondContact O-N 3.29Å; C4-G579 VanDerWaalsContact SG-C 3.56Å; C4-G579 PolarHBondContact SG-O 2.88Å; C4-C580 WeakPolarHBondContact CB-SG 3.41Å; C4-C580 WeakPolarHBondContact SG-CB 3.45Å; C4-C580 CovalentContact SG-SG 2.05Å; C4-C580 PolarHBondContact SG-SG 3.02Å
5	H	45.2	Very low	44.3	Very low	137 Å²	137	102.1 Å²	102.1	63%	0.634	54%	0.541	S	S	*	.	H	α-helix	trans	-60.8	-38.7	167	-95.4	-114	0	0	0	112.2	M1 E2 I8 S9	M1-H5 PolarHBondContact O-N 2.98Å; E2-H5 CarbonylContact O-C 3.59Å; E2-H5 WeakPolarHBondContact O-CB 3.5Å; E2-H5 PolarHBondContact O-N 3.39Å; H5-I8 PolarHBondContact O-N 2.8Å; H5-S9 WeakPolarHBondContact O-CB 3.14Å; H5-S9 PolarHBondContact O-N 3.01Å; H5-S9 PolarHBondContact O-OG 3.5Å
6	A	47	Very low	44.6	Very low	51 Å²	51	103.3 Å²	103.3	42%	0.421	55%	0.548	S	S	.	.	H	α-helix	trans	-65.2	-48.7	178.6	0	0	0	0	0	111.1	E2 A3 C4 I8 S9 Y10	E2-A6 WeakPolarHBondContact O-CB 3.5Å; E2-A6 PolarHBondContact O-N 3.27Å; A3-A6 PolarHBondContact O-N 3.32Å; C4-A6 VanDerWaalsContact C-N 3.31Å; C4-A6 PolarHBondContact O-N 2.97Å; A6-I8 VanDerWaalsContact C-N 3.34Å; A6-I8 PolarHBondContact O-N 3Å; A6-S9 PolarHBondContact O-N 2.81Å; A6-Y10 WeakPolarHBondContact O-CB 3.36Å; A6-Y10 PolarHBondContact O-N 3.04Å
7	N	45.2	Very low	45.4	Very low	71 Å²	71	101.6 Å²	101.6	38%	0.38	55%	0.547	S	S	.	.	H	α-helix	trans	-60.5	-42.1	175.4	-74.2	3.1	0	0	0	112	A3 Y10 G11	A3-N7 PolarHBondContact O-N 2.97Å; N7-Y10 PolarHBondContact O-N 3.09Å; N7-G11 PolarHBondContact O-N 3.21Å
8	I	49.3	Very low	46.2	Very low	68 Å²	68	101.9 Å²	101.9	35%	0.349	55%	0.548	S	S	.	.	H	α-helix	trans	-61.9	-47.1	175.4	-71.1	166.2	0	0	0	110.9	C4 H5 A6 G11 L12	C4-I8 WeakPolarHBondContact O-CB 3.31Å; C4-I8 WeakPolarHBondContact O-CD1 3.45Å; C4-I8 WeakPolarHBondContact O-CG1 3.45Å; C4-I8 PolarHBondContact O-N 3.29Å; H5-I8 PolarHBondContact O-N 2.8Å; A6-I8 VanDerWaalsContact C-N 3.34Å; A6-I8 PolarHBondContact O-N 3Å; I8-G11 PolarHBondContact O-N 3.39Å; I8-L12 HydrophobicContact CG2-CD1 3.68Å; I8-L12 WeakPolarHBondContact O-CB 3.43Å; I8-L12 VanDerWaalsContact O-CG 3.32Å; I8-L12 WeakPolarHBondContact O-CG 3.14Å; I8-L12 PolarHBondContact O-N 2.81Å
9	S	47	Very low	46.8	Very low	57 Å²	57	102.2 Å²	102.2	40%	0.399	54%	0.544	S	S	.	.	H	α-helix	trans	-64.9	-42.3	177.5	-70.2	0	0	0	0	112.7	H5 A6 G11 L12 F13	H5-S9 WeakPolarHBondContact O-CB 3.14Å; H5-S9 PolarHBondContact O-N 3.01Å; H5-S9 PolarHBondContact O-OG 3.5Å; A6-S9 PolarHBondContact O-N 2.81Å; S9-G11 VanDerWaalsContact C-N 3.33Å; S9-G11 PolarHBondContact O-N 3.26Å; S9-L12 PolarHBondContact O-N 2.83Å; S9-F13 WeakPolarHBondContact O-CB 3.36Å; S9-F13 PolarHBondContact O-N 3.33Å
10	Y	45.3	Very low	47.3	Very low	195 Å²	195	100.3 Å²	100.3	77%	0.765	53%	0.533	S	S	*	.	H	α-helix	trans	-67.2	-34.4	179.9	-131.2	-87.5	0	0	0	112.1	A6 N7	A6-Y10 WeakPolarHBondContact O-CB 3.36Å; A6-Y10 PolarHBondContact O-N 3.04Å; N7-Y10 PolarHBondContact O-N 3.09Å
11	G	44.7	Very low	48.1	Very low	42 Å²	42	100.1 Å²	100.1	43%	0.433	53%	0.532	S	S	.	.	H	α-helix	trans	-70.1	-44	172.4	0	0	0	0	0	113	N7 I8 S9 T15	N7-G11 PolarHBondContact O-N 3.21Å; I8-G11 PolarHBondContact O-N 3.39Å; S9-G11 VanDerWaalsContact C-N 3.33Å; S9-G11 PolarHBondContact O-N 3.26Å; G11-T15 WeakPolarHBondContact O-CG2 3.42Å
12	L	46.2	Very low	49.4	Very low	79 Å²	79	95.4 Å²	95.4	41%	0.414	51%	0.511	S	S	.	.	H	α-helix	trans	-77.4	-41.3	-175	-70.8	171.6	0	0	0	113.8	I8 S9 N14 T15 I20	I8-L12 HydrophobicContact CG2-CD1 3.68Å; I8-L12 WeakPolarHBondContact O-CB 3.43Å; I8-L12 VanDerWaalsContact O-CG 3.32Å; I8-L12 WeakPolarHBondContact O-CG 3.14Å; I8-L12 PolarHBondContact O-N 2.81Å; S9-L12 PolarHBondContact O-N 2.83Å; L12-N14 PolarHBondContact O-N 3.03Å; L12-N14 VanDerWaalsContact O-N 3.13Å; L12-T15 PolarHBondContact O-N 2.95Å; L12-T15 PolarHBondContact O-OG1 2.88Å; L12-I20 HydrophobicContact CD2-CD1 4.3Å; L12-I20 HydrophobicContact CD2-CG1 4.47Å
13	F	48.6	Very low	50.2	Low	187 Å²	187	89.6 Å²	89.6	82%	0.82	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.2	-174.8	-99.8	-92	0	0	0	114.8	S9	S9-F13 WeakPolarHBondContact O-CB 3.36Å; S9-F13 PolarHBondContact O-N 3.33Å
14	N	50.5	Low	51.3	Low	148 Å²	148	90.4 Å²	90.4	79%	0.791	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	6.7	-179.4	-113.6	-1.5	0	0	0	113.6	L12	L12-N14 PolarHBondContact O-N 3.03Å; L12-N14 VanDerWaalsContact O-N 3.13Å
15	T	46.7	Very low	52.2	Low	45 Å²	45	94.2 Å²	94.2	28%	0.276	50%	0.502	S	S	.	.	S	Bend	trans	-112.8	137.4	-175	57.9	0	0	0	0	113	G11 L12 F19	G11-T15 WeakPolarHBondContact O-CG2 3.42Å; L12-T15 PolarHBondContact O-N 2.95Å; L12-T15 PolarHBondContact O-OG1 2.88Å; T15-F19 HydrophobicContact CG2-CD1 3.65Å; T15-F19 HydrophobicContact CG2-CE1 3.87Å
16	N	49	Very low	52.7	Low	121 Å²	121	92.9 Å²	92.9	65%	0.647	50%	0.499	S	S	*	.			trans	-69.3	148.7	-179.5	-160.8	-4.6	0	0	0	110.6	N18 F19	N16-N18 PolarHBondContact O-N 3.08Å; N16-N18 VanDerWaalsContact O-N 3.11Å; N16-F19 VanDerWaalsContact O-CB 3.31Å; N16-F19 WeakPolarHBondContact O-CB 3.5Å; N16-F19 PolarHBondContact O-N 3.19Å
17	S	58.5	Low	52.9	Low	75 Å²	75	93.7 Å²	93.7	52%	0.524	50%	0.499	S	S	.	.	H	α-helix	trans	-57.6	-34.2	-170.1	54.6	0	0	0	0	114.1	F19 I20 N21	S17-F19 VanDerWaalsContact C-N 3.33Å; S17-F19 PolarHBondContact O-N 3.39Å; S17-I20 PolarHBondContact O-N 3.3Å; S17-N21 PolarHBondContact O-N 3.2Å
18	N	59.8	Low	53.2	Low	106 Å²	106	96.2 Å²	96.2	57%	0.567	51%	0.507	S	S	*	.	H	α-helix	trans	-60.6	-40.6	174.1	-64.7	-9.9	0	0	0	112.2	N16 I20 N21 D22	N16-N18 PolarHBondContact O-N 3.08Å; N16-N18 VanDerWaalsContact O-N 3.11Å; N18-I20 VanDerWaalsContact C-N 3.29Å; N18-I20 PolarHBondContact O-N 2.67Å; N18-N21 WeakPolarHBondContact O-CB 3.16Å; N18-N21 PolarHBondContact O-N 3.45Å; N18-N21 VanDerWaalsContact O-N 3.12Å; N18-D22 PolarHBondContact O-N 3.5Å
19	F	58.2	Low	53.6	Low	108 Å²	108	97.2 Å²	97.2	47%	0.474	52%	0.516	S	S	.	.	H	α-helix	trans	-64.2	-33.4	179.9	-176.5	-95.4	0	0	0	112.2	T15 N16 S17 D22 L23	T15-F19 HydrophobicContact CG2-CD1 3.65Å; T15-F19 HydrophobicContact CG2-CE1 3.87Å; N16-F19 VanDerWaalsContact O-CB 3.31Å; N16-F19 WeakPolarHBondContact O-CB 3.5Å; N16-F19 PolarHBondContact O-N 3.19Å; S17-F19 VanDerWaalsContact C-N 3.33Å; S17-F19 PolarHBondContact O-N 3.39Å; F19-D22 PolarHBondContact O-N 2.7Å; F19-L23 HydrophobicContact CE1-CD1 4.39Å; F19-L23 HydrophobicContact CZ-CD1 4.44Å; F19-L23 VanDerWaalsContact O-CB 3.24Å; F19-L23 WeakPolarHBondContact O-CB 3.25Å; F19-L23 PolarHBondContact O-N 3.47Å
20	I	57.3	Low	54	Low	63 Å²	63	98.2 Å²	98.2	32%	0.323	51%	0.514	S	S	.	.	H	α-helix	trans	-67.5	-39.6	175.3	-62.7	179.5	0	0	0	110.5	L12 S17 N18 L23 V24	L12-I20 HydrophobicContact CD2-CD1 4.3Å; L12-I20 HydrophobicContact CD2-CG1 4.47Å; S17-I20 PolarHBondContact O-N 3.3Å; N18-I20 VanDerWaalsContact C-N 3.29Å; N18-I20 PolarHBondContact O-N 2.67Å; I20-L23 PolarHBondContact O-N 3.46Å; I20-V24 VanDerWaalsContact O-CG2 3.31Å; I20-V24 WeakPolarHBondContact O-CG2 3.39Å; I20-V24 PolarHBondContact O-N 3.45Å
21	N	62.3	Low	54.4	Low	97 Å²	97	92.2 Å²	92.2	52%	0.519	50%	0.501	S	S	.	.	H	α-helix	trans	-66.1	-42	174.7	-68.5	-32.5	0	0	0	111.9	S17 N18 V24 N25	S17-N21 PolarHBondContact O-N 3.2Å; N18-N21 WeakPolarHBondContact O-CB 3.16Å; N18-N21 PolarHBondContact O-N 3.45Å; N18-N21 VanDerWaalsContact O-N 3.12Å; N21-V24 PolarHBondContact O-N 2.77Å; N21-N25 PolarHBondContact O-N 3.14Å; N21-N25 PolarHBondContact O-ND2 2.81Å
22	D	62.3	Low	55	Low	94 Å²	94	95.5 Å²	95.5	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-63.9	-40	175.3	-66.7	-32	0	0	0	111.6	N18 F19 N25 L26	N18-D22 PolarHBondContact O-N 3.5Å; F19-D22 PolarHBondContact O-N 2.7Å; D22-N25 PolarHBondContact O-N 3.2Å; D22-L26 WeakPolarHBondContact O-CB 3.33Å; D22-L26 WeakPolarHBondContact O-CG 3.35Å; D22-L26 PolarHBondContact O-N 2.87Å
23	L	51.1	Low	55.4	Low	52 Å²	52	96.4 Å²	96.4	27%	0.272	51%	0.508	S	S	.	.	H	α-helix	trans	-65.4	-39.7	176	-163.6	77.2	0	0	0	112.1	F19 I20 L26 T27	F19-L23 HydrophobicContact CE1-CD1 4.39Å; F19-L23 HydrophobicContact CZ-CD1 4.44Å; F19-L23 VanDerWaalsContact O-CB 3.24Å; F19-L23 WeakPolarHBondContact O-CB 3.25Å; F19-L23 PolarHBondContact O-N 3.47Å; I20-L23 PolarHBondContact O-N 3.46Å; L23-L26 PolarHBondContact O-N 3.3Å; L23-T27 WeakPolarHBondContact O-CG2 3.39Å; L23-T27 PolarHBondContact O-N 2.97Å; L23-T27 PolarHBondContact O-OG1 3.29Å
24	V	62.3	Low	55.8	Low	85 Å²	85	90 Å²	90	52%	0.515	48%	0.48	S	S	.	.	H	α-helix	trans	-68	-35.7	175.3	168.3	0	0	0	0	111.8	I20 N21 T27 K28	I20-V24 VanDerWaalsContact O-CG2 3.31Å; I20-V24 WeakPolarHBondContact O-CG2 3.39Å; I20-V24 PolarHBondContact O-N 3.45Å; N21-V24 PolarHBondContact O-N 2.77Å; V24-T27 PolarHBondContact O-OG1 2.89Å; V24-K28 WeakPolarHBondContact O-CB 3.28Å; V24-K28 PolarHBondContact O-N 2.65Å
25	N	60.5	Low	56.5	Low	98 Å²	98	85.9 Å²	85.9	52%	0.524	46%	0.463	S	S	.	.	H	α-helix	trans	-67	-42	171.1	-74.1	-36.2	0	0	0	111.4	N21 D22 K28 V29	N21-N25 PolarHBondContact O-N 3.14Å; N21-N25 PolarHBondContact O-ND2 2.81Å; D22-N25 PolarHBondContact O-N 3.2Å; N25-K28 PolarHBondContact O-N 3.43Å; N25-V29 WeakPolarHBondContact O-CG2 3.38Å; N25-V29 PolarHBondContact O-N 2.97Å
26	L	54.8	Low	57.6	Low	108 Å²	108	90 Å²	90	57%	0.565	48%	0.479	S	S	*	.	H	α-helix	trans	-62.7	-48.9	177.1	-80.4	164.2	0	0	0	112.6	D22 L23 K28 V29 E30	D22-L26 WeakPolarHBondContact O-CB 3.33Å; D22-L26 WeakPolarHBondContact O-CG 3.35Å; D22-L26 PolarHBondContact O-N 2.87Å; L23-L26 PolarHBondContact O-N 3.3Å; L26-K28 VanDerWaalsContact C-N 3.26Å; L26-K28 PolarHBondContact O-N 3.22Å; L26-V29 PolarHBondContact O-N 2.88Å; L26-E30 PolarHBondContact O-N 2.8Å
27	T	52	Low	58.7	Low	69 Å²	69	91.5 Å²	91.5	42%	0.423	48%	0.476	S	S	.	.	H	α-helix	trans	-64	-32.7	178.3	54.5	0	0	0	0	112.1	L23 V24 E30 S31	L23-T27 WeakPolarHBondContact O-CG2 3.39Å; L23-T27 PolarHBondContact O-N 2.97Å; L23-T27 PolarHBondContact O-OG1 3.29Å; V24-T27 PolarHBondContact O-OG1 2.89Å; T27-E30 PolarHBondContact O-N 3.27Å; T27-S31 WeakPolarHBondContact O-CB 3.21Å; T27-S31 PolarHBondContact O-N 3.36Å
28	K	51.8	Low	59.2	Low	123 Å²	123	92.6 Å²	92.6	54%	0.535	47%	0.469	S	S	.	.	H	α-helix	trans	-66.8	-46.5	173.9	-167.9	177.7	178.9	-173.3	0	111.9	V24 N25 L26 E30 S31 E32	V24-K28 WeakPolarHBondContact O-CB 3.28Å; V24-K28 PolarHBondContact O-N 2.65Å; N25-K28 PolarHBondContact O-N 3.43Å; L26-K28 VanDerWaalsContact C-N 3.26Å; L26-K28 PolarHBondContact O-N 3.22Å; K28-E30 VanDerWaalsContact C-N 3.35Å; K28-E30 PolarHBondContact O-N 3.49Å; K28-S31 WeakPolarHBondContact O-CB 3.35Å; K28-S31 PolarHBondContact O-N 3.08Å; K28-S31 VanDerWaalsContact O-N 3.1Å; K28-S31 PolarHBondContact O-OG 3.27Å; K28-E32 PolarHBondContact O-N 2.76Å; K28-E32 VanDerWaalsContact O-N 3.09Å
29	V	57.4	Low	59.9	Low	90 Å²	90	93.8 Å²	93.8	55%	0.545	47%	0.469	S	S	.	.	H	α-helix	trans	-61.8	-40.4	174.1	171	0	0	0	0	111.6	N25 L26 S31 E32 M33	N25-V29 WeakPolarHBondContact O-CG2 3.38Å; N25-V29 PolarHBondContact O-N 2.97Å; L26-V29 PolarHBondContact O-N 2.88Å; V29-S31 VanDerWaalsContact C-N 3.32Å; V29-S31 PolarHBondContact O-N 3.22Å; V29-E32 PolarHBondContact O-N 3.48Å; V29-M33 VanDerWaalsContact O-CB 3.25Å; V29-M33 WeakPolarHBondContact O-CB 3.41Å; V29-M33 PolarHBondContact O-N 3.1Å
30	E	53.9	Low	60.7	Low	78 Å²	78	90.4 Å²	90.4	36%	0.364	46%	0.461	S	S	.	.	H	α-helix	trans	-61.7	-38.2	171.8	-77.1	-160.1	129.9	0	0	112.3	L26 T27 K28 F34	L26-E30 PolarHBondContact O-N 2.8Å; T27-E30 PolarHBondContact O-N 3.27Å; K28-E30 VanDerWaalsContact C-N 3.35Å; K28-E30 PolarHBondContact O-N 3.49Å; E30-F34 WeakPolarHBondContact O-CB 3.41Å; E30-F34 PolarHBondContact O-N 3.44Å
31	S	54.2	Low	61.5	Low	69 Å²	69	91.7 Å²	91.7	48%	0.483	47%	0.468	S	S	.	.	H	α-helix	trans	-66.2	-41.8	180	80.4	0	0	0	0	112.4	T27 K28 V29 S35	T27-S31 WeakPolarHBondContact O-CB 3.21Å; T27-S31 PolarHBondContact O-N 3.36Å; K28-S31 WeakPolarHBondContact O-CB 3.35Å; K28-S31 PolarHBondContact O-N 3.08Å; K28-S31 VanDerWaalsContact O-N 3.1Å; K28-S31 PolarHBondContact O-OG 3.27Å; V29-S31 VanDerWaalsContact C-N 3.32Å; V29-S31 PolarHBondContact O-N 3.22Å; S31-S35 PolarHBondContact O-N 2.83Å; S31-S35 VanDerWaalsContact O-N 3.12Å
32	E	58.1	Low	62.2	Low	111 Å²	111	90.7 Å²	90.7	52%	0.519	46%	0.463	S	S	.	.	H	α-helix	trans	-68	-50.7	175.9	-68.9	174.2	-167.2	0	0	109.8	K28 V29 F34 S35 E36	K28-E32 PolarHBondContact O-N 2.76Å; K28-E32 VanDerWaalsContact O-N 3.09Å; V29-E32 PolarHBondContact O-N 3.48Å; E32-F34 VanDerWaalsContact C-N 3.31Å; E32-F34 PolarHBondContact O-N 3.22Å; E32-S35 WeakPolarHBondContact O-CB 3.47Å; E32-S35 PolarHBondContact O-N 2.82Å; E32-S35 PolarHBondContact O-OG 3.39Å; E32-E36 PolarHBondContact O-N 2.87Å
33	M	55.5	Low	63.2	Low	97 Å²	97	90.1 Å²	90.1	48%	0.478	46%	0.459	S	S	.	.	H	α-helix	trans	-58.6	-39.7	177	-174.1	-175.7	63.1	0	0	112.4	V29 S35 E36 W37	V29-M33 VanDerWaalsContact O-CB 3.25Å; V29-M33 WeakPolarHBondContact O-CB 3.41Å; V29-M33 PolarHBondContact O-N 3.1Å; M33-S35 VanDerWaalsContact C-N 3.3Å; M33-S35 PolarHBondContact O-N 3.4Å; M33-E36 PolarHBondContact O-N 3.48Å; M33-W37 PolarHBondContact O-N 2.83Å
34	F	56	Low	64.5	Low	52 Å²	52	92 Å²	92	23%	0.228	47%	0.468	C	S	.	.	H	α-helix	trans	-72.5	-23.1	178.4	-176.3	-122.8	0	0	0	112.8	E30 E32 R38 S501 L504	E30-F34 WeakPolarHBondContact O-CB 3.41Å; E30-F34 PolarHBondContact O-N 3.44Å; E32-F34 VanDerWaalsContact C-N 3.31Å; E32-F34 PolarHBondContact O-N 3.22Å; F34-R38 HydrophobicContact CE1-CG 4.42Å; F34-R38 HydrophobicContact CE2-CG 4.28Å; F34-R38 HydrophobicContact CZ-CG 4.15Å; F34-R38 VanDerWaalsContact CZ-NE 3.33Å; F34-R38 WeakPolarHBondContact O-CB 3.19Å; F34-R38 VanDerWaalsContact O-CG 3.27Å; F34-R38 WeakPolarHBondContact O-CG 3.45Å; F34-R38 PolarHBondContact O-N 2.79Å; F34-S501 WeakPolarHBondContact CE1-OG 3.41Å; F34-L504 HydrophobicContact CD2-CD1 4.38Å; F34-L504 HydrophobicContact CE1-CD1 4.18Å; F34-L504 HydrophobicContact CE1-CG 4.25Å; F34-L504 HydrophobicContact CE2-CD1 3.84Å; F34-L504 HydrophobicContact CE2-CD2 3.84Å; F34-L504 HydrophobicContact CE2-CG 3.91Å; F34-L504 HydrophobicContact CZ-CD1 3.75Å; F34-L504 HydrophobicContact CZ-CD2 3.88Å; F34-L504 HydrophobicContact CZ-CG 3.55Å
35	S	64.5	Low	65.3	Low	63 Å²	63	91.2 Å²	91.2	44%	0.441	46%	0.46	S	S	.	.	H	α-helix	trans	-68.6	-43.3	169.9	81.6	0	0	0	0	111.6	S31 E32 M33 R38 F39	S31-S35 PolarHBondContact O-N 2.83Å; S31-S35 VanDerWaalsContact O-N 3.12Å; E32-S35 WeakPolarHBondContact O-CB 3.47Å; E32-S35 PolarHBondContact O-N 2.82Å; E32-S35 PolarHBondContact O-OG 3.39Å; M33-S35 VanDerWaalsContact C-N 3.3Å; M33-S35 PolarHBondContact O-N 3.4Å; S35-R38 WeakPolarHBondContact O-CB 3.37Å; S35-R38 PolarHBondContact O-N 3.17Å; S35-F39 PolarHBondContact O-N 3.21Å
36	E	71.5	Confident	66.4	Low	131 Å²	131	88 Å²	88	61%	0.612	44%	0.443	S	S	*	.	H	α-helix	trans	-62.1	-47.6	173.3	-72.4	-64	155.9	0	0	111.6	E32 M33 R38 F39 A40	E32-E36 PolarHBondContact O-N 2.87Å; M33-E36 PolarHBondContact O-N 3.48Å; E36-R38 VanDerWaalsContact C-N 3.3Å; E36-R38 PolarHBondContact O-N 3.02Å; E36-F39 PolarHBondContact O-N 3.49Å; E36-F39 VanDerWaalsContact O-N 3.11Å; E36-A40 WeakPolarHBondContact O-CB 3.23Å; E36-A40 PolarHBondContact O-N 2.76Å
37	W	71.1	Confident	67.9	Low	153 Å²	153	86 Å²	86	58%	0.58	44%	0.438	S	S	*	.	H	α-helix	trans	-60.1	-37.3	175.7	-73.6	118	0	0	0	112.8	M33 L41	M33-W37 PolarHBondContact O-N 2.83Å; W37-L41 VanDerWaalsContact O-CB 3.25Å; W37-L41 WeakPolarHBondContact O-CB 3.36Å; W37-L41 WeakPolarHBondContact O-CG 3.44Å; W37-L41 PolarHBondContact O-N 2.89Å
38	R	68.8	Low	69.4	Low	98 Å²	98	87.6 Å²	87.6	37%	0.37	44%	0.443	S	S	.	.	H	α-helix	trans	-64.6	-42	173.4	-80.2	169.2	169.8	-100.6	8.6	112.2	F34 S35 E36 N42 S501	F34-R38 HydrophobicContact CE1-CG 4.42Å; F34-R38 HydrophobicContact CE2-CG 4.28Å; F34-R38 HydrophobicContact CZ-CG 4.15Å; F34-R38 VanDerWaalsContact CZ-NE 3.33Å; F34-R38 WeakPolarHBondContact O-CB 3.19Å; F34-R38 VanDerWaalsContact O-CG 3.27Å; F34-R38 WeakPolarHBondContact O-CG 3.45Å; F34-R38 PolarHBondContact O-N 2.79Å; S35-R38 WeakPolarHBondContact O-CB 3.37Å; S35-R38 PolarHBondContact O-N 3.17Å; E36-R38 VanDerWaalsContact C-N 3.3Å; E36-R38 PolarHBondContact O-N 3.02Å; R38-N42 WeakPolarHBondContact O-CB 3.29Å; R38-N42 VanDerWaalsContact O-CG 3.31Å; R38-N42 PolarHBondContact O-N 3.48Å; R38-N42 PolarHBondContact O-ND2 2.91Å; R38-S501 PolarHBondContact NH2-OG 3Å
39	F	73.5	Confident	70.9	Confident	130 Å²	130	83.3 Å²	83.3	57%	0.57	43%	0.425	S	S	*	.	H	α-helix	trans	-65.7	-47.3	178.5	-171.3	-115.4	0	0	0	110.9	S35 E36 L41 N42 I43	S35-F39 PolarHBondContact O-N 3.21Å; E36-F39 PolarHBondContact O-N 3.49Å; E36-F39 VanDerWaalsContact O-N 3.11Å; F39-L41 PolarHBondContact O-N 3.19Å; F39-N42 PolarHBondContact O-N 3.48Å; F39-I43 HydrophobicContact CD1-CD1 3.81Å; F39-I43 HydrophobicContact CE1-CD1 3.57Å; F39-I43 HydrophobicContact CG-CD1 4.39Å; F39-I43 HydrophobicContact CZ-CD1 3.95Å; F39-I43 WeakPolarHBondContact O-CG1 3.3Å; F39-I43 PolarHBondContact O-N 3.18Å
40	A	75.9	Confident	72.3	Confident	38 Å²	38	83 Å²	83	31%	0.314	42%	0.419	S	S	.	.	H	α-helix	trans	-59.3	-44.7	173.9	0	0	0	0	0	112.7	E36 I43 I44	E36-A40 WeakPolarHBondContact O-CB 3.23Å; E36-A40 PolarHBondContact O-N 2.76Å; A40-I43 PolarHBondContact O-N 3Å; A40-I44 VanDerWaalsContact O-CG1 3.29Å; A40-I44 WeakPolarHBondContact O-CG1 3.45Å; A40-I44 PolarHBondContact O-N 3.3Å
41	L	74.7	Confident	73.8	Confident	90 Å²	90	83.4 Å²	83.4	47%	0.471	42%	0.424	S	S	.	.	H	α-helix	trans	-63.5	-41.9	176	-77.7	169	0	0	0	112.2	W37 F39 I44 I45	W37-L41 VanDerWaalsContact O-CB 3.25Å; W37-L41 WeakPolarHBondContact O-CB 3.36Å; W37-L41 WeakPolarHBondContact O-CG 3.44Å; W37-L41 PolarHBondContact O-N 2.89Å; F39-L41 PolarHBondContact O-N 3.19Å; L41-I44 PolarHBondContact O-N 3.15Å; L41-I45 WeakPolarHBondContact O-CB 3.43Å; L41-I45 WeakPolarHBondContact O-CD1 3.22Å; L41-I45 WeakPolarHBondContact O-CG1 3.32Å; L41-I45 PolarHBondContact O-N 2.82Å
42	N	76	Confident	75.2	Confident	76 Å²	76	82.2 Å²	82.2	41%	0.406	42%	0.416	S	S	.	.	H	α-helix	trans	-62.3	-42.4	175	-77.7	-18.1	0	0	0	111.5	R38 F39 I45 I46	R38-N42 WeakPolarHBondContact O-CB 3.29Å; R38-N42 VanDerWaalsContact O-CG 3.31Å; R38-N42 PolarHBondContact O-N 3.48Å; R38-N42 PolarHBondContact O-ND2 2.91Å; F39-N42 PolarHBondContact O-N 3.48Å; N42-I45 PolarHBondContact O-N 2.84Å; N42-I46 WeakPolarHBondContact O-CB 3.37Å; N42-I46 WeakPolarHBondContact O-CD1 3.19Å; N42-I46 VanDerWaalsContact O-CG1 3.26Å; N42-I46 WeakPolarHBondContact O-CG1 3.49Å; N42-I46 PolarHBondContact O-N 3.48Å
43	I	82.8	Confident	76.5	Confident	82 Å²	82	77.6 Å²	77.6	42%	0.421	40%	0.398	S	S	.	.	H	α-helix	trans	-59.1	-48.4	174	-71.4	167.4	0	0	0	110.6	F39 A40 I45 I46 S47	F39-I43 HydrophobicContact CD1-CD1 3.81Å; F39-I43 HydrophobicContact CE1-CD1 3.57Å; F39-I43 HydrophobicContact CG-CD1 4.39Å; F39-I43 HydrophobicContact CZ-CD1 3.95Å; F39-I43 WeakPolarHBondContact O-CG1 3.3Å; F39-I43 PolarHBondContact O-N 3.18Å; A40-I43 PolarHBondContact O-N 3Å; I43-I45 PolarHBondContact O-N 2.75Å; I43-I46 PolarHBondContact O-N 3.09Å; I43-S47 WeakPolarHBondContact O-CB 3.43Å; I43-S47 PolarHBondContact O-N 3.17Å; I43-S47 PolarHBondContact O-OG 3.33Å
44	I	79.9	Confident	78	Confident	91 Å²	91	78.1 Å²	78.1	47%	0.467	40%	0.401	S	S	.	.	H	α-helix	trans	-59.7	-45.5	177.7	-68.9	162.8	0	0	0	111.1	A40 L41 S47 L48	A40-I44 VanDerWaalsContact O-CG1 3.29Å; A40-I44 WeakPolarHBondContact O-CG1 3.45Å; A40-I44 PolarHBondContact O-N 3.3Å; L41-I44 PolarHBondContact O-N 3.15Å; I44-S47 PolarHBondContact O-N 2.92Å; I44-L48 HydrophobicContact CG2-CD1 3.89Å; I44-L48 HydrophobicContact CG2-CG 4.44Å; I44-L48 WeakPolarHBondContact O-CB 3.34Å; I44-L48 VanDerWaalsContact O-CG 3.28Å; I44-L48 WeakPolarHBondContact O-CG 3.2Å; I44-L48 PolarHBondContact O-N 3.44Å
45	I	78.2	Confident	79.4	Confident	68 Å²	68	82.4 Å²	82.4	35%	0.349	42%	0.42	S	S	.	.	H	α-helix	trans	-63.7	-42.9	179.3	-70.8	164.4	0	0	0	111.2	L41 N42 I43 L48 Q49	L41-I45 WeakPolarHBondContact O-CB 3.43Å; L41-I45 WeakPolarHBondContact O-CD1 3.22Å; L41-I45 WeakPolarHBondContact O-CG1 3.32Å; L41-I45 PolarHBondContact O-N 2.82Å; N42-I45 PolarHBondContact O-N 2.84Å; I43-I45 PolarHBondContact O-N 2.75Å; I45-L48 PolarHBondContact O-N 3.47Å; I45-Q49 WeakPolarHBondContact O-CB 3.41Å; I45-Q49 WeakPolarHBondContact O-CG 3.5Å; I45-Q49 PolarHBondContact O-N 3.22Å
46	I	84.6	Confident	80.2	Confident	31 Å²	31	81.9 Å²	81.9	16%	0.159	41%	0.412	C	S	.	.	H	α-helix	trans	-65.6	-44.7	176.4	-71.5	164	0	0	0	110.5	N42 I43 L48 Q49 I50 I100 Q103 V104	N42-I46 WeakPolarHBondContact O-CB 3.37Å; N42-I46 WeakPolarHBondContact O-CD1 3.19Å; N42-I46 VanDerWaalsContact O-CG1 3.26Å; N42-I46 WeakPolarHBondContact O-CG1 3.49Å; N42-I46 PolarHBondContact O-N 3.48Å; I43-I46 PolarHBondContact O-N 3.09Å; I46-L48 VanDerWaalsContact C-N 3.35Å; I46-L48 PolarHBondContact O-N 3.25Å; I46-Q49 PolarHBondContact O-N 2.94Å; I46-I50 HydrophobicContact CG2-CD1 3.76Å; I46-I50 HydrophobicContact CG2-CG1 4.43Å; I46-I50 VanDerWaalsContact O-CG1 3.31Å; I46-I50 WeakPolarHBondContact O-CG1 3.5Å; I46-I50 PolarHBondContact O-N 3.17Å; I46-I100 HydrophobicContact CG2-CG2 4.08Å; I46-Q103 HydrophobicContact CD1-CB 4.29Å; I46-Q103 HydrophobicContact CG1-CB 4.28Å; I46-V104 HydrophobicContact CD1-CG2 3.88Å
47	S	86.7	Confident	81.1	Confident	65 Å²	65	80.1 Å²	80.1	46%	0.455	40%	0.402	S	S	.	.	H	α-helix	trans	-59.8	-42.8	175.7	-62.8	0	0	0	0	112.3	I43 I44 I50 L51	I43-S47 WeakPolarHBondContact O-CB 3.43Å; I43-S47 PolarHBondContact O-N 3.17Å; I43-S47 PolarHBondContact O-OG 3.33Å; I44-S47 PolarHBondContact O-N 2.92Å; S47-I50 PolarHBondContact O-N 2.78Å; S47-L51 VanDerWaalsContact O-CB 3.29Å; S47-L51 WeakPolarHBondContact O-CB 3.29Å; S47-L51 PolarHBondContact O-N 3.17Å
48	L	82.4	Confident	81.7	Confident	104 Å²	104	74.2 Å²	74.2	55%	0.545	39%	0.389	S	S	.	.	H	α-helix	trans	-67.2	-37.8	176	-71.9	171.6	0	0	0	112.3	I44 I45 I46 S52	I44-L48 HydrophobicContact CG2-CD1 3.89Å; I44-L48 HydrophobicContact CG2-CG 4.44Å; I44-L48 WeakPolarHBondContact O-CB 3.34Å; I44-L48 VanDerWaalsContact O-CG 3.28Å; I44-L48 WeakPolarHBondContact O-CG 3.2Å; I44-L48 PolarHBondContact O-N 3.44Å; I45-L48 PolarHBondContact O-N 3.47Å; I46-L48 VanDerWaalsContact C-N 3.35Å; I46-L48 PolarHBondContact O-N 3.25Å; L48-S52 WeakPolarHBondContact O-CB 3.41Å; L48-S52 PolarHBondContact O-N 3.49Å; L48-S52 PolarHBondContact O-OG 3.37Å
49	Q	83.4	Confident	82.5	Confident	33 Å²	33	71.1 Å²	71.1	15%	0.154	39%	0.388	C	S	.	.	H	α-helix	trans	-64.4	-47.3	173.8	-79.6	175.9	46.6	0	0	112	I45 I46 L51 S52 G53 L96 I100	I45-Q49 WeakPolarHBondContact O-CB 3.41Å; I45-Q49 WeakPolarHBondContact O-CG 3.5Å; I45-Q49 PolarHBondContact O-N 3.22Å; I46-Q49 PolarHBondContact O-N 2.94Å; Q49-L51 PolarHBondContact O-N 3.01Å; Q49-S52 PolarHBondContact O-N 2.79Å; Q49-S52 PolarHBondContact O-OG 3.38Å; Q49-G53 PolarHBondContact O-N 2.7Å; Q49-L96 HydrophobicContact CB-CD2 4.27Å; Q49-L96 HydrophobicContact CG-CD2 4.5Å; Q49-I100 HydrophobicContact CB-CD1 4.15Å; Q49-I100 HydrophobicContact CB-CG1 3.96Å
50	I	87.5	Confident	83.2	Confident	83 Å²	83	66 Å²	66	43%	0.426	37%	0.366	S	S	.	.	H	α-helix	trans	-57.4	-48.9	175.1	-68.3	166.3	0	0	0	110.3	I46 S47 S52 G53 I54 I100	I46-I50 HydrophobicContact CG2-CD1 3.76Å; I46-I50 HydrophobicContact CG2-CG1 4.43Å; I46-I50 VanDerWaalsContact O-CG1 3.31Å; I46-I50 WeakPolarHBondContact O-CG1 3.5Å; I46-I50 PolarHBondContact O-N 3.17Å; S47-I50 PolarHBondContact O-N 2.78Å; I50-S52 VanDerWaalsContact C-N 3.35Å; I50-S52 PolarHBondContact O-N 2.88Å; I50-G53 PolarHBondContact O-N 3.06Å; I50-G53 VanDerWaalsContact O-N 3.15Å; I50-I54 HydrophobicContact CG2-CD1 4Å; I50-I54 WeakPolarHBondContact O-CG1 3.49Å; I50-I54 PolarHBondContact O-N 3.38Å; I50-I100 HydrophobicContact CG1-CD1 3.81Å
51	L	85.1	Confident	83.8	Confident	86 Å²	86	68.5 Å²	68.5	45%	0.45	37%	0.374	S	S	.	.	H	α-helix	trans	-60.2	-42.9	177.8	-175	62.9	0	0	0	111.8	S47 Q49 G53 I54 F55	S47-L51 VanDerWaalsContact O-CB 3.29Å; S47-L51 WeakPolarHBondContact O-CB 3.29Å; S47-L51 PolarHBondContact O-N 3.17Å; Q49-L51 PolarHBondContact O-N 3.01Å; L51-G53 VanDerWaalsContact C-N 3.35Å; L51-G53 PolarHBondContact O-N 3.46Å; L51-I54 PolarHBondContact O-N 2.81Å; L51-F55 HydrophobicContact CD1-CD2 4.1Å; L51-F55 HydrophobicContact CD1-CE2 3.66Å; L51-F55 HydrophobicContact CD2-CE2 4.34Å; L51-F55 HydrophobicContact CG-CD2 3.98Å; L51-F55 HydrophobicContact CG-CE2 3.77Å; L51-F55 VanDerWaalsContact O-CD2 3.26Å; L51-F55 WeakPolarHBondContact O-CD2 3.42Å; L51-F55 PolarHBondContact O-N 2.76Å
52	S	83.8	Confident	84.5	Confident	45 Å²	45	70.1 Å²	70.1	32%	0.315	38%	0.382	S	S	.	.	H	α-helix	trans	-63.2	-39.2	175	78.1	0	0	0	0	112.4	L48 Q49 I50 F55 I56	L48-S52 WeakPolarHBondContact O-CB 3.41Å; L48-S52 PolarHBondContact O-N 3.49Å; L48-S52 PolarHBondContact O-OG 3.37Å; Q49-S52 PolarHBondContact O-N 2.79Å; Q49-S52 PolarHBondContact O-OG 3.38Å; I50-S52 VanDerWaalsContact C-N 3.35Å; I50-S52 PolarHBondContact O-N 2.88Å; S52-F55 PolarHBondContact O-N 2.76Å; S52-I56 WeakPolarHBondContact O-CB 3.23Å; S52-I56 WeakPolarHBondContact O-CD1 3.33Å; S52-I56 WeakPolarHBondContact O-CG1 3.43Å; S52-I56 PolarHBondContact O-N 3.13Å
53	G	83.7	Confident	84.9	Confident	14 Å²	14	69 Å²	69	14%	0.144	38%	0.378	C	S	.	.	H	α-helix	trans	-63.6	-41.3	176.4	0	0	0	0	0	112.2	Q49 I50 L51 I56 F57	Q49-G53 PolarHBondContact O-N 2.7Å; I50-G53 PolarHBondContact O-N 3.06Å; I50-G53 VanDerWaalsContact O-N 3.15Å; L51-G53 VanDerWaalsContact C-N 3.35Å; L51-G53 PolarHBondContact O-N 3.46Å; G53-I56 PolarHBondContact O-N 3.23Å; G53-F57 WeakPolarHBondContact O-CB 3.48Å; G53-F57 PolarHBondContact O-N 3.17Å
54	I	87.7	Confident	85.1	Confident	108 Å²	108	66.8 Å²	66.8	55%	0.554	37%	0.366	S	S	*	.	H	α-helix	trans	-61.5	-45.1	173.6	-66.5	164.9	0	0	0	110.8	I50 L51 F57 G58	I50-I54 HydrophobicContact CG2-CD1 4Å; I50-I54 WeakPolarHBondContact O-CG1 3.49Å; I50-I54 PolarHBondContact O-N 3.38Å; L51-I54 PolarHBondContact O-N 2.81Å; I54-F57 PolarHBondContact O-N 3.23Å; I54-G58 PolarHBondContact O-N 2.62Å
55	F	84.6	Confident	85.5	Confident	142 Å²	142	65.3 Å²	65.3	62%	0.623	36%	0.364	S	S	*	.	H	α-helix	trans	-67.1	-41.5	177.4	-81.8	-61.8	0	0	0	113.5	L51 S52 G59	L51-F55 HydrophobicContact CD1-CD2 4.1Å; L51-F55 HydrophobicContact CD1-CE2 3.66Å; L51-F55 HydrophobicContact CD2-CE2 4.34Å; L51-F55 HydrophobicContact CG-CD2 3.98Å; L51-F55 HydrophobicContact CG-CE2 3.77Å; L51-F55 VanDerWaalsContact O-CD2 3.26Å; L51-F55 WeakPolarHBondContact O-CD2 3.42Å; L51-F55 PolarHBondContact O-N 2.76Å; S52-F55 PolarHBondContact O-N 2.76Å; F55-G59 WeakPolarHBondContact O-CA 3.41Å; F55-G59 PolarHBondContact O-N 2.95Å
56	I	83.2	Confident	85.8	Confident	52 Å²	52	64 Å²	64	27%	0.267	36%	0.364	S	S	.	.	H	α-helix	trans	-64.5	-42.7	176.4	-66	161	0	0	0	109.9	S52 G53 N60 D88 A92 L96	S52-I56 WeakPolarHBondContact O-CB 3.23Å; S52-I56 WeakPolarHBondContact O-CD1 3.33Å; S52-I56 WeakPolarHBondContact O-CG1 3.43Å; S52-I56 PolarHBondContact O-N 3.13Å; G53-I56 PolarHBondContact O-N 3.23Å; I56-N60 VanDerWaalsContact O-CB 3.31Å; I56-N60 WeakPolarHBondContact O-CB 3.1Å; I56-N60 PolarHBondContact O-N 2.86Å; I56-N60 VanDerWaalsContact O-N 3.17Å; I56-N60 PolarHBondContact O-ND2 3.42Å; I56-D88 HydrophobicContact CG2-CB 4.03Å; I56-D88 WeakPolarHBondContact CG2-O 3.43Å; I56-A92 HydrophobicContact CB-CB 4.3Å; I56-A92 HydrophobicContact CG2-CB 3.91Å; I56-L96 HydrophobicContact CD1-CD1 3.82Å
57	F	89.7	Confident	85.8	Confident	94 Å²	94	63.3 Å²	63.3	41%	0.412	36%	0.361	S	S	.	.	H	α-helix	trans	-66.2	-56.2	178.7	-171.9	-89.4	0	0	0	111.8	G53 I54 G59 L61 L89 A92 V93	G53-F57 WeakPolarHBondContact O-CB 3.48Å; G53-F57 PolarHBondContact O-N 3.17Å; I54-F57 PolarHBondContact O-N 3.23Å; F57-G59 PolarHBondContact O-N 3.31Å; F57-L61 HydrophobicContact CE1-CD2 4.08Å; F57-L61 VanDerWaalsContact O-CB 3.23Å; F57-L61 WeakPolarHBondContact O-CB 3.46Å; F57-L61 PolarHBondContact O-N 3.11Å; F57-L89 HydrophobicContact CB-CD2 4.39Å; F57-L89 HydrophobicContact CD2-CD2 3.51Å; F57-L89 HydrophobicContact CE2-CD2 3.88Å; F57-L89 HydrophobicContact CG-CD2 3.98Å; F57-A92 HydrophobicContact CB-CB 4.29Å; F57-V93 HydrophobicContact CD2-CG2 4.01Å; F57-V93 HydrophobicContact CE2-CG2 3.89Å
58	G	83.3	Confident	85.6	Confident	28 Å²	28	62.7 Å²	62.7	29%	0.289	36%	0.36	S	S	.	.	H	α-helix	trans	-63.5	-43	-179	0	0	0	0	0	112.9	I54 L61 L62	I54-G58 PolarHBondContact O-N 2.62Å; G58-L61 PolarHBondContact O-N 3.03Å; G58-L62 WeakPolarHBondContact O-CB 3.15Å; G58-L62 VanDerWaalsContact O-CG 3.28Å; G58-L62 WeakPolarHBondContact O-CG 3.46Å; G58-L62 PolarHBondContact O-N 3.34Å
59	G	85.1	Confident	85.7	Confident	34 Å²	34	62.4 Å²	62.4	35%	0.351	36%	0.362	S	S	.	.	H	α-helix	trans	-62.7	-46.1	179.3	0	0	0	0	0	112.8	F55 F57 L62 V63	F55-G59 WeakPolarHBondContact O-CA 3.41Å; F55-G59 PolarHBondContact O-N 2.95Å; F57-G59 PolarHBondContact O-N 3.31Å; G59-L62 WeakPolarHBondContact O-CB 3.34Å; G59-L62 PolarHBondContact O-N 3.3Å; G59-V63 WeakPolarHBondContact O-CG2 3.28Å; G59-V63 PolarHBondContact O-N 2.85Å
60	N	89	Confident	85.6	Confident	23 Å²	23	63.8 Å²	63.8	12%	0.123	37%	0.373	C	S	.	.	H	α-helix	trans	-75.1	-32	179.4	-75.9	-62.5	0	0	0	113	I56 L62 V63 I64 A85 D88 L89	I56-N60 VanDerWaalsContact O-CB 3.31Å; I56-N60 WeakPolarHBondContact O-CB 3.1Å; I56-N60 PolarHBondContact O-N 2.86Å; I56-N60 VanDerWaalsContact O-N 3.17Å; I56-N60 PolarHBondContact O-ND2 3.42Å; N60-L62 VanDerWaalsContact C-N 3.33Å; N60-V63 PolarHBondContact O-N 3.24Å; N60-I64 WeakPolarHBondContact O-CG1 3.47Å; N60-I64 PolarHBondContact O-N 2.82Å; N60-A85 HydrophobicContact CB-CB 3.9Å; N60-A85 VanDerWaalsContact OD1-CA 3.3Å; N60-A85 WeakPolarHBondContact OD1-CA 3.2Å; N60-A85 WeakPolarHBondContact OD1-CB 3.25Å; N60-D88 WeakPolarHBondContact ND2-CB 3.04Å; N60-D88 PolarHBondContact ND2-OD2 3.08Å; N60-L89 HydrophobicContact CB-CD2 4.39Å; N60-L89 HydrophobicContact CB-CG 4.05Å
61	L	89.4	Confident	85.1	Confident	89 Å²	89	68.8 Å²	68.8	47%	0.466	39%	0.392	S	S	.	.	H	α-helix	trans	-63.4	-39.2	170.1	-171.6	64.4	0	0	0	111.7	F57 G58 I64 S65	F57-L61 HydrophobicContact CE1-CD2 4.08Å; F57-L61 VanDerWaalsContact O-CB 3.23Å; F57-L61 WeakPolarHBondContact O-CB 3.46Å; F57-L61 PolarHBondContact O-N 3.11Å; G58-L61 PolarHBondContact O-N 3.03Å; L61-I64 PolarHBondContact O-N 2.94Å; L61-S65 VanDerWaalsContact O-CB 3.28Å; L61-S65 WeakPolarHBondContact O-CB 3.32Å; L61-S65 PolarHBondContact O-N 3.38Å
62	L	88.6	Confident	84.6	Confident	125 Å²	125	67.3 Å²	67.3	65%	0.654	40%	0.397	S	S	*	.	H	α-helix	trans	-64	-40.9	172.6	-76.6	168.8	0	0	0	112.4	G58 G59 N60 S65 A66	G58-L62 WeakPolarHBondContact O-CB 3.15Å; G58-L62 VanDerWaalsContact O-CG 3.28Å; G58-L62 WeakPolarHBondContact O-CG 3.46Å; G58-L62 PolarHBondContact O-N 3.34Å; G59-L62 WeakPolarHBondContact O-CB 3.34Å; G59-L62 PolarHBondContact O-N 3.3Å; N60-L62 VanDerWaalsContact C-N 3.33Å; L62-S65 PolarHBondContact O-N 2.84Å; L62-A66 WeakPolarHBondContact O-CB 2.96Å; L62-A66 PolarHBondContact O-N 3.08Å
63	V	84.9	Confident	83.6	Confident	51 Å²	51	68.2 Å²	68.2	31%	0.309	40%	0.398	S	S	.	.	H	α-helix	trans	-61.5	-46.1	175.3	167.2	0	0	0	0	111.5	G59 N60 A66 V67 I81 A85	G59-V63 WeakPolarHBondContact O-CG2 3.28Å; G59-V63 PolarHBondContact O-N 2.85Å; N60-V63 PolarHBondContact O-N 3.24Å; V63-A66 PolarHBondContact O-N 2.83Å; V63-V67 PolarHBondContact O-N 3.42Å; V63-V67 VanDerWaalsContact O-N 3.13Å; V63-I81 HydrophobicContact CG1-CG2 3.56Å; V63-A85 HydrophobicContact CB-CB 4.38Å; V63-A85 HydrophobicContact CG1-CB 4.03Å
64	I	86.8	Confident	83.1	Confident	36 Å²	36	74.8 Å²	74.8	19%	0.185	42%	0.419	C	S	.	.	H	α-helix	trans	-64.1	-42.9	176.8	-66.1	168.3	0	0	0	110.5	N60 L61 V67 A68 V82 A85 L86 L89	N60-I64 WeakPolarHBondContact O-CG1 3.47Å; N60-I64 PolarHBondContact O-N 2.82Å; L61-I64 PolarHBondContact O-N 2.94Å; I64-V67 PolarHBondContact O-N 3.44Å; I64-A68 VanDerWaalsContact O-CB 3.25Å; I64-A68 WeakPolarHBondContact O-CB 3.46Å; I64-A68 PolarHBondContact O-N 3.13Å; I64-V82 HydrophobicContact CG1-CG1 4.35Å; I64-A85 HydrophobicContact CD1-CB 3.97Å; I64-A85 HydrophobicContact CG1-CB 3.75Å; I64-L86 HydrophobicContact CD1-CD2 3.8Å; I64-L86 HydrophobicContact CD1-CG 3.9Å; I64-L89 HydrophobicContact CD1-CD1 3.53Å
65	S	87.6	Confident	82.5	Confident	61 Å²	61	77 Å²	77	43%	0.427	42%	0.42	S	S	.	.	H	α-helix	trans	-62.6	-42.1	176.6	-172.8	0	0	0	0	112.5	L61 L62 V67 A68 T69	L61-S65 VanDerWaalsContact O-CB 3.28Å; L61-S65 WeakPolarHBondContact O-CB 3.32Å; L61-S65 PolarHBondContact O-N 3.38Å; L62-S65 PolarHBondContact O-N 2.84Å; S65-V67 PolarHBondContact O-N 3.27Å; S65-A68 PolarHBondContact O-N 3.43Å; S65-T69 WeakPolarHBondContact O-CB 3.48Å; S65-T69 WeakPolarHBondContact O-CG2 3.34Å; S65-T69 PolarHBondContact O-N 3.06Å; S65-T69 PolarHBondContact O-OG1 3.22Å
66	A	84.7	Confident	82.1	Confident	41 Å²	41	76.5 Å²	76.5	34%	0.339	42%	0.423	S	S	.	.	H	α-helix	trans	-63.2	-42	177.8	0	0	0	0	0	112.3	L62 V63 T69 T70	L62-A66 WeakPolarHBondContact O-CB 2.96Å; L62-A66 PolarHBondContact O-N 3.08Å; V63-A66 PolarHBondContact O-N 2.83Å; A66-T69 PolarHBondContact O-OG1 3.1Å; A66-T70 WeakPolarHBondContact O-CB 3.2Å; A66-T70 PolarHBondContact O-N 3.44Å; A66-T70 PolarHBondContact O-OG1 3.45Å
67	V	83.7	Confident	81.5	Confident	15 Å²	15	78.2 Å²	78.2	9%	0.091	44%	0.436	C	S	.	.	H	α-helix	trans	-69.4	-38.3	174.3	167	0	0	0	0	111.9	V63 I64 S65 L73 V82	V63-V67 PolarHBondContact O-N 3.42Å; V63-V67 VanDerWaalsContact O-N 3.13Å; I64-V67 PolarHBondContact O-N 3.44Å; S65-V67 PolarHBondContact O-N 3.27Å; V67-L73 WeakPolarHBondContact CG1-O 3.32Å; V67-L73 HydrophobicContact CG2-CB 4.39Å; V67-V82 HydrophobicContact CB-CG2 3.74Å; V67-V82 HydrophobicContact CG1-CG2 3.42Å; V67-V82 VanDerWaalsContact CG1-CG2 3.42Å; V67-V82 HydrophobicContact CG2-CG2 4.06Å
68	A	83.3	Confident	80.9	Confident	52 Å²	52	74.3 Å²	74.3	43%	0.43	42%	0.419	S	S	.	.	H	α-helix	trans	-67.1	-43.3	177.9	0	0	0	0	0	112.3	I64 S65 R74	I64-A68 VanDerWaalsContact O-CB 3.25Å; I64-A68 WeakPolarHBondContact O-CB 3.46Å; I64-A68 PolarHBondContact O-N 3.13Å; S65-A68 PolarHBondContact O-N 3.43Å; A68-R74 PolarHBondContact O-NH2 3.32Å
69	T	84.8	Confident	80.6	Confident	98 Å²	98	78 Å²	78	60%	0.601	43%	0.431	S	S	*	.	H	α-helix	trans	-76.8	-42.1	-179.1	50.8	0	0	0	0	112.8	S65 A66 K71	S65-T69 WeakPolarHBondContact O-CB 3.48Å; S65-T69 WeakPolarHBondContact O-CG2 3.34Å; S65-T69 PolarHBondContact O-N 3.06Å; S65-T69 PolarHBondContact O-OG1 3.22Å; A66-T69 PolarHBondContact O-OG1 3.1Å; T69-K71 PolarHBondContact O-N 3.32Å
70	T	81.1	Confident	80.1	Confident	62 Å²	62	80.7 Å²	80.7	38%	0.38	43%	0.432	S	S	.	.			trans	-82.7	104.1	-173.6	-49.2	0	0	0	0	111.7	A66 G72 L73	A66-T70 WeakPolarHBondContact O-CB 3.2Å; A66-T70 PolarHBondContact O-N 3.44Å; A66-T70 PolarHBondContact O-OG1 3.45Å; T70-G72 PolarHBondContact O-N 3.43Å; T70-G72 VanDerWaalsContact O-N 3.08Å; T70-L73 HydrophobicContact CG2-CB 4.23Å; T70-L73 HydrophobicContact CG2-CD1 3.95Å; T70-L73 HydrophobicContact CG2-CG 3.77Å; T70-L73 PolarHBondContact O-N 2.94Å
71	K	76.7	Confident	79.6	Confident	188 Å²	188	83.8 Å²	83.8	82%	0.817	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-52.1	-34.6	178.8	-67.5	-177.4	-179.5	177.3	0	113.5	T69 L73	T69-K71 PolarHBondContact O-N 3.32Å; K71-L73 VanDerWaalsContact C-N 3.34Å; K71-L73 PolarHBondContact O-N 3.13Å
72	G	74.6	Confident	79.3	Confident	55 Å²	55	80.7 Å²	80.7	57%	0.567	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-77.1	-8.2	178.3	0	0	0	0	0	116.2	T70	T70-G72 PolarHBondContact O-N 3.43Å; T70-G72 VanDerWaalsContact O-N 3.08Å
73	L	63.6	Low	79.1	Confident	64 Å²	64	77.8 Å²	77.8	34%	0.335	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-103.1	31.6	176.9	-67.7	177.9	0	0	0	112.1	V67 T70 K71 D78	V67-L73 WeakPolarHBondContact CG1-O 3.32Å; V67-L73 HydrophobicContact CG2-CB 4.39Å; T70-L73 HydrophobicContact CG2-CB 4.23Å; T70-L73 HydrophobicContact CG2-CD1 3.95Å; T70-L73 HydrophobicContact CG2-CG 3.77Å; T70-L73 PolarHBondContact O-N 2.94Å; K71-L73 VanDerWaalsContact C-N 3.34Å; K71-L73 PolarHBondContact O-N 3.13Å; L73-D78 WeakPolarHBondContact CA-OD2 3.39Å; L73-D78 WeakPolarHBondContact O-CB 3.25Å
74	R	73.1	Confident	78.7	Confident	153 Å²	153	80.4 Å²	80.4	58%	0.577	43%	0.434	S	S	*	.			trans	-110.7	26.9	-178.4	-63.7	-174.6	175.8	-168	0.9	113.4	A68 D78	A68-R74 PolarHBondContact O-NH2 3.32Å; R74-D78 PolarHBondContact N-OD2 2.92Å
75	R	75	Confident	78.6	Confident	153 Å²	153	78.8 Å²	78.8	58%	0.577	43%	0.426	S	S	*	.	S	Bend	trans	-78.5	166.5	174.4	-64.4	169.8	-73.2	-153	-6.3	110.9	T77 D78 L79	R75-T77 PolarHBondContact O-N 3.48Å; R75-D78 VanDerWaalsContact CB-OD2 3.3Å; R75-D78 WeakPolarHBondContact CB-OD2 3.3Å; R75-D78 PolarHBondContact N-OD2 3.46Å; R75-D78 IonicContact NE-OD2 2.69Å; R75-D78 PolarHBondContact NE-OD2 2.89Å; R75-D78 IonicContact NH2-OD2 2.89Å; R75-D78 WeakPolarHBondContact O-CB 3.39Å; R75-D78 PolarHBondContact O-N 3.39Å; R75-L79 PolarHBondContact O-N 3.45Å; R75-L79 VanDerWaalsContact O-N 3.16Å
76	I	76	Confident	78.6	Confident	133 Å²	133	80.1 Å²	80.1	68%	0.682	43%	0.428	S	S	*	.	H	α-helix	trans	-55.7	-40.5	178.6	-64.5	172.8	0	0	0	111.2	D78 L79 Y80	I76-D78 PolarHBondContact O-N 2.69Å; I76-L79 PolarHBondContact O-N 2.98Å; I76-Y80 HydrophobicContact CG2-CD2 4.45Å; I76-Y80 HydrophobicContact CG2-CE2 4.02Å; I76-Y80 VanDerWaalsContact O-CD2 3.26Å; I76-Y80 WeakPolarHBondContact O-CD2 3.38Å; I76-Y80 PolarHBondContact O-N 2.84Å
77	T	70.8	Confident	78.5	Confident	88 Å²	88	79.3 Å²	79.3	54%	0.54	42%	0.421	S	S	.	.	H	α-helix	trans	-55.6	-37.9	173.4	45.6	0	0	0	0	113.2	R75 Y80	R75-T77 PolarHBondContact O-N 3.48Å; T77-Y80 WeakPolarHBondContact O-CB 3.24Å; T77-Y80 PolarHBondContact O-N 2.87Å
78	D	77	Confident	78.4	Confident	12 Å²	12	81.4 Å²	81.4	6%	0.064	43%	0.432	C	S	.	.	H	α-helix	trans	-82.4	-29.2	-169.8	-44.6	-23	0	0	0	109.5	L73 R74 R75 I76 Y80 I81 V82	L73-D78 WeakPolarHBondContact CA-OD2 3.39Å; L73-D78 WeakPolarHBondContact O-CB 3.25Å; R74-D78 PolarHBondContact N-OD2 2.92Å; R75-D78 VanDerWaalsContact CB-OD2 3.3Å; R75-D78 WeakPolarHBondContact CB-OD2 3.3Å; R75-D78 PolarHBondContact N-OD2 3.46Å; R75-D78 IonicContact NE-OD2 2.69Å; R75-D78 PolarHBondContact NE-OD2 2.89Å; R75-D78 IonicContact NH2-OD2 2.89Å; R75-D78 WeakPolarHBondContact O-CB 3.39Å; R75-D78 PolarHBondContact O-N 3.39Å; I76-D78 PolarHBondContact O-N 2.69Å; D78-Y80 VanDerWaalsContact C-N 3.33Å; D78-Y80 PolarHBondContact O-N 2.92Å; D78-I81 WeakPolarHBondContact O-CB 3.01Å; D78-I81 PolarHBondContact O-N 2.99Å; D78-V82 PolarHBondContact O-N 3.05Å; D78-V82 VanDerWaalsContact O-N 3.13Å
79	L	77.4	Confident	78.7	Confident	104 Å²	104	80 Å²	80	55%	0.545	42%	0.417	S	S	.	.	H	α-helix	trans	-65.6	-29.7	167.9	-65	174.6	0	0	0	113.2	R75 I76 I81 V82 S83	R75-L79 PolarHBondContact O-N 3.45Å; R75-L79 VanDerWaalsContact O-N 3.16Å; I76-L79 PolarHBondContact O-N 2.98Å; L79-I81 VanDerWaalsContact C-N 3.34Å; L79-V82 PolarHBondContact O-N 3.45Å; L79-S83 PolarHBondContact O-N 2.84Å
80	Y	74.8	Confident	78.7	Confident	91 Å²	91	79.3 Å²	79.3	36%	0.357	41%	0.409	S	S	.	.	H	α-helix	trans	-65.9	-38.2	170.5	-80	-86.3	0	0	0	111.4	I76 T77 D78 V82 S83 L84	I76-Y80 HydrophobicContact CG2-CD2 4.45Å; I76-Y80 HydrophobicContact CG2-CE2 4.02Å; I76-Y80 VanDerWaalsContact O-CD2 3.26Å; I76-Y80 WeakPolarHBondContact O-CD2 3.38Å; I76-Y80 PolarHBondContact O-N 2.84Å; T77-Y80 WeakPolarHBondContact O-CB 3.24Å; T77-Y80 PolarHBondContact O-N 2.87Å; D78-Y80 VanDerWaalsContact C-N 3.33Å; D78-Y80 PolarHBondContact O-N 2.92Å; Y80-V82 VanDerWaalsContact C-N 3.35Å; Y80-S83 WeakPolarHBondContact CA-OG 3.3Å; Y80-S83 PolarHBondContact O-N 3.49Å; Y80-S83 VanDerWaalsContact O-N 3.14Å; Y80-S83 PolarHBondContact O-OG 3.45Å; Y80-L84 PolarHBondContact O-N 3.09Å
81	I	77.9	Confident	78.7	Confident	88 Å²	88	79 Å²	79	45%	0.451	41%	0.407	S	S	.	.	H	α-helix	trans	-62.2	-44	175.6	-55.3	174.8	0	0	0	110	V63 D78 L79 S83 L84 A85	V63-I81 HydrophobicContact CG1-CG2 3.56Å; D78-I81 WeakPolarHBondContact O-CB 3.01Å; D78-I81 PolarHBondContact O-N 2.99Å; L79-I81 VanDerWaalsContact C-N 3.34Å; I81-S83 VanDerWaalsContact C-N 3.33Å; I81-S83 PolarHBondContact O-N 3.01Å; I81-L84 PolarHBondContact O-N 3.46Å; I81-A85 WeakPolarHBondContact O-CB 3.44Å; I81-A85 PolarHBondContact O-N 3.36Å
82	V	83.1	Confident	79	Confident	25 Å²	25	70.6 Å²	70.6	15%	0.152	37%	0.372	C	S	.	.	H	α-helix	trans	-59.5	-41.3	172.3	171.4	0	0	0	0	111.9	I64 V67 D78 L79 Y80 L84 A85 L86	I64-V82 HydrophobicContact CG1-CG1 4.35Å; V67-V82 HydrophobicContact CB-CG2 3.74Å; V67-V82 HydrophobicContact CG1-CG2 3.42Å; V67-V82 VanDerWaalsContact CG1-CG2 3.42Å; V67-V82 HydrophobicContact CG2-CG2 4.06Å; D78-V82 PolarHBondContact O-N 3.05Å; D78-V82 VanDerWaalsContact O-N 3.13Å; L79-V82 PolarHBondContact O-N 3.45Å; Y80-V82 VanDerWaalsContact C-N 3.35Å; V82-L84 VanDerWaalsContact C-N 3.32Å; V82-L84 PolarHBondContact O-N 2.94Å; V82-A85 PolarHBondContact O-N 2.69Å; V82-L86 HydrophobicContact CG1-CD1 3.94Å; V82-L86 HydrophobicContact CG1-CG 4.4Å; V82-L86 WeakPolarHBondContact O-CB 3.26Å; V82-L86 VanDerWaalsContact O-CG 3.32Å; V82-L86 WeakPolarHBondContact O-CG 3.44Å; V82-L86 PolarHBondContact O-N 2.85Å
83	S	83.5	Confident	79.6	Confident	64 Å²	64	71.8 Å²	71.8	45%	0.448	37%	0.369	S	S	.	.	H	α-helix	trans	-65.8	-32.7	178.9	76.7	0	0	0	0	113.5	L79 Y80 I81 A87	L79-S83 PolarHBondContact O-N 2.84Å; Y80-S83 WeakPolarHBondContact CA-OG 3.3Å; Y80-S83 PolarHBondContact O-N 3.49Å; Y80-S83 VanDerWaalsContact O-N 3.14Å; Y80-S83 PolarHBondContact O-OG 3.45Å; I81-S83 VanDerWaalsContact C-N 3.33Å; I81-S83 PolarHBondContact O-N 3.01Å; S83-A87 PolarHBondContact O-N 3.05Å
84	L	77.1	Confident	80.5	Confident	106 Å²	106	72 Å²	72	56%	0.555	37%	0.37	S	S	*	.	H	α-helix	trans	-73.4	-45.3	174.2	-175.4	63	0	0	0	110.8	Y80 I81 V82 L86 A87 D88	Y80-L84 PolarHBondContact O-N 3.09Å; I81-L84 PolarHBondContact O-N 3.46Å; V82-L84 VanDerWaalsContact C-N 3.32Å; V82-L84 PolarHBondContact O-N 2.94Å; L84-L86 VanDerWaalsContact C-N 3.27Å; L84-L86 PolarHBondContact O-N 3.25Å; L84-A87 WeakPolarHBondContact O-CA 3.47Å; L84-A87 WeakPolarHBondContact O-CB 3.49Å; L84-A87 PolarHBondContact O-N 3.41Å; L84-D88 PolarHBondContact O-N 2.92Å
85	A	85.8	Confident	80.8	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.008	36%	0.355	C	S	.	.	H	α-helix	trans	-59.9	-36.3	176.4	0	0	0	0	0	112.7	N60 V63 I64 I81 V82 L89	N60-A85 HydrophobicContact CB-CB 3.9Å; N60-A85 VanDerWaalsContact OD1-CA 3.3Å; N60-A85 WeakPolarHBondContact OD1-CA 3.2Å; N60-A85 WeakPolarHBondContact OD1-CB 3.25Å; V63-A85 HydrophobicContact CB-CB 4.38Å; V63-A85 HydrophobicContact CG1-CB 4.03Å; I64-A85 HydrophobicContact CD1-CB 3.97Å; I64-A85 HydrophobicContact CG1-CB 3.75Å; I81-A85 WeakPolarHBondContact O-CB 3.44Å; I81-A85 PolarHBondContact O-N 3.36Å; V82-A85 PolarHBondContact O-N 2.69Å; A85-L89 WeakPolarHBondContact O-CG 3.43Å; A85-L89 PolarHBondContact O-N 3.26Å
86	L	86.4	Confident	81.1	Confident	90 Å²	90	61 Å²	61	47%	0.471	33%	0.333	S	S	.	.	H	α-helix	trans	-67.2	-35.4	171.9	-74.6	168.9	0	0	0	112.9	I64 V82 L84 L89 L90	I64-L86 HydrophobicContact CD1-CD2 3.8Å; I64-L86 HydrophobicContact CD1-CG 3.9Å; V82-L86 HydrophobicContact CG1-CD1 3.94Å; V82-L86 HydrophobicContact CG1-CG 4.4Å; V82-L86 WeakPolarHBondContact O-CB 3.26Å; V82-L86 VanDerWaalsContact O-CG 3.32Å; V82-L86 WeakPolarHBondContact O-CG 3.44Å; V82-L86 PolarHBondContact O-N 2.85Å; L84-L86 VanDerWaalsContact C-N 3.27Å; L84-L86 PolarHBondContact O-N 3.25Å; L86-L89 HydrophobicContact CD2-CD1 4.44Å; L86-L90 WeakPolarHBondContact O-CG 3.12Å; L86-L90 PolarHBondContact O-N 3.3Å; L86-L90 VanDerWaalsContact O-N 3.16Å
87	A	82.2	Confident	81.6	Confident	23 Å²	23	57.5 Å²	57.5	19%	0.19	32%	0.319	C	S	.	.	H	α-helix	trans	-67	-44	174.8	0	0	0	0	0	111.3	S83 L84 L89 L90 V91	S83-A87 PolarHBondContact O-N 3.05Å; L84-A87 WeakPolarHBondContact O-CA 3.47Å; L84-A87 WeakPolarHBondContact O-CB 3.49Å; L84-A87 PolarHBondContact O-N 3.41Å; A87-L89 VanDerWaalsContact C-N 3.34Å; A87-L89 PolarHBondContact O-N 2.95Å; A87-L90 WeakPolarHBondContact O-CB 3.3Å; A87-L90 PolarHBondContact O-N 3.03Å; A87-L90 VanDerWaalsContact O-N 3.11Å; A87-V91 PolarHBondContact O-N 3.16Å; A87-V91 VanDerWaalsContact O-N 3.08Å
88	D	83	Confident	82	Confident	59 Å²	59	54.8 Å²	54.8	32%	0.316	30%	0.3	S	S	.	.	H	α-helix	trans	-64.6	-36.2	176.3	-73.8	3.1	0	0	0	112.4	I56 N60 L84 L90 V91 A92	I56-D88 HydrophobicContact CG2-CB 4.03Å; I56-D88 WeakPolarHBondContact CG2-O 3.43Å; N60-D88 WeakPolarHBondContact ND2-CB 3.04Å; N60-D88 PolarHBondContact ND2-OD2 3.08Å; L84-D88 PolarHBondContact O-N 2.92Å; D88-L90 VanDerWaalsContact C-N 3.32Å; D88-L90 PolarHBondContact O-N 3.24Å; D88-V91 WeakPolarHBondContact O-CB 3.47Å; D88-V91 PolarHBondContact O-N 3.32Å; D88-V91 VanDerWaalsContact O-N 3.16Å; D88-A92 PolarHBondContact O-N 3.4Å
89	L	88.2	Confident	82.1	Confident	22 Å²	22	59.6 Å²	59.6	12%	0.115	32%	0.321	C	S	.	.	H	α-helix	trans	-61.2	-38.6	170.7	-77.5	173	0	0	0	112.3	F57 N60 I64 A85 L86 A87 V91 A92 V93	F57-L89 HydrophobicContact CB-CD2 4.39Å; F57-L89 HydrophobicContact CD2-CD2 3.51Å; F57-L89 HydrophobicContact CE2-CD2 3.88Å; F57-L89 HydrophobicContact CG-CD2 3.98Å; N60-L89 HydrophobicContact CB-CD2 4.39Å; N60-L89 HydrophobicContact CB-CG 4.05Å; I64-L89 HydrophobicContact CD1-CD1 3.53Å; A85-L89 WeakPolarHBondContact O-CG 3.43Å; A85-L89 PolarHBondContact O-N 3.26Å; L86-L89 HydrophobicContact CD2-CD1 4.44Å; A87-L89 VanDerWaalsContact C-N 3.34Å; A87-L89 PolarHBondContact O-N 2.95Å; L89-V91 VanDerWaalsContact C-N 3.32Å; L89-V91 PolarHBondContact O-N 3.2Å; L89-A92 PolarHBondContact O-N 3.31Å; L89-V93 WeakPolarHBondContact O-CB 3.48Å; L89-V93 VanDerWaalsContact O-CG2 3.32Å; L89-V93 WeakPolarHBondContact O-CG2 3.34Å; L89-V93 PolarHBondContact O-N 2.9Å
90	L	85.6	Confident	82.4	Confident	84 Å²	84	56 Å²	56	44%	0.44	30%	0.302	S	S	.	.	H	α-helix	trans	-66.3	-33.8	173.8	-67.8	169.1	0	0	0	112	L86 A87 D88 L94	L86-L90 WeakPolarHBondContact O-CG 3.12Å; L86-L90 PolarHBondContact O-N 3.3Å; L86-L90 VanDerWaalsContact O-N 3.16Å; A87-L90 WeakPolarHBondContact O-CB 3.3Å; A87-L90 PolarHBondContact O-N 3.03Å; A87-L90 VanDerWaalsContact O-N 3.11Å; D88-L90 VanDerWaalsContact C-N 3.32Å; D88-L90 PolarHBondContact O-N 3.24Å; L90-L94 HydrophobicContact CD2-CD1 3.89Å; L90-L94 VanDerWaalsContact O-CB 3.29Å; L90-L94 WeakPolarHBondContact O-CB 3.04Å; L90-L94 PolarHBondContact O-N 2.76Å
91	V	80	Confident	82.8	Confident	55 Å²	55	54.5 Å²	54.5	33%	0.333	30%	0.299	S	S	.	.	I	π-helix	trans	-64.6	-46.9	171.9	-179.6	0	0	0	0	110.7	A87 D88 L89 V93 I95 L96	A87-V91 PolarHBondContact O-N 3.16Å; A87-V91 VanDerWaalsContact O-N 3.08Å; D88-V91 WeakPolarHBondContact O-CB 3.47Å; D88-V91 PolarHBondContact O-N 3.32Å; D88-V91 VanDerWaalsContact O-N 3.16Å; L89-V91 VanDerWaalsContact C-N 3.32Å; L89-V91 PolarHBondContact O-N 3.2Å; V91-V93 PolarHBondContact O-N 3.23Å; V91-I95 HydrophobicContact CG1-CB 4.31Å; V91-I95 HydrophobicContact CG2-CD1 4.29Å; V91-I95 WeakPolarHBondContact O-CB 3.26Å; V91-I95 PolarHBondContact O-N 3.36Å; V91-I95 VanDerWaalsContact O-N 3.11Å; V91-L96 PolarHBondContact O-N 2.96Å
92	A	84.3	Confident	82.7	Confident	12 Å²	12	57 Å²	57	10%	0.099	30%	0.303	C	S	.	.	I	π-helix	trans	-63.8	-36	179.4	0	0	0	0	0	113.7	I56 F57 D88 L89 P97	I56-A92 HydrophobicContact CB-CB 4.3Å; I56-A92 HydrophobicContact CG2-CB 3.91Å; F57-A92 HydrophobicContact CB-CB 4.29Å; D88-A92 PolarHBondContact O-N 3.4Å; L89-A92 PolarHBondContact O-N 3.31Å; A92-P97 WeakPolarHBondContact O-CD 3.35Å
93	V	87	Confident	82.4	Confident	80 Å²	80	59.2 Å²	59.2	49%	0.485	31%	0.311	S	S	.	.	I	π-helix	trans	-90.1	-37.4	-176.3	175.5	0	0	0	0	113.1	F57 L89 V91	F57-V93 HydrophobicContact CD2-CG2 4.01Å; F57-V93 HydrophobicContact CE2-CG2 3.89Å; L89-V93 WeakPolarHBondContact O-CB 3.48Å; L89-V93 VanDerWaalsContact O-CG2 3.32Å; L89-V93 WeakPolarHBondContact O-CG2 3.34Å; L89-V93 PolarHBondContact O-N 2.9Å; V91-V93 PolarHBondContact O-N 3.23Å
94	L	81.8	Confident	82.3	Confident	70 Å²	70	60.4 Å²	60.4	37%	0.366	32%	0.315	S	S	.	.	I	π-helix	trans	-105.9	-31	-171.1	-56.7	176.8	0	0	0	114.4	L90	L90-L94 HydrophobicContact CD2-CD1 3.89Å; L90-L94 VanDerWaalsContact O-CB 3.29Å; L90-L94 WeakPolarHBondContact O-CB 3.04Å; L90-L94 PolarHBondContact O-N 2.76Å
95	I	79.9	Confident	82.3	Confident	51 Å²	51	60.9 Å²	60.9	26%	0.262	31%	0.311	S	S	.	.	I	π-helix	trans	-101.2	-50.1	-170.3	-61.8	176.4	0	0	0	111	V91 H98 F99	V91-I95 HydrophobicContact CG1-CB 4.31Å; V91-I95 HydrophobicContact CG2-CD1 4.29Å; V91-I95 WeakPolarHBondContact O-CB 3.26Å; V91-I95 PolarHBondContact O-N 3.36Å; V91-I95 VanDerWaalsContact O-N 3.11Å; I95-H98 PolarHBondContact O-N 3.46Å; I95-F99 HydrophobicContact CG2-CD2 3.88Å; I95-F99 HydrophobicContact CG2-CE2 4Å; I95-F99 PolarHBondContact O-N 3.17Å
96	L	82.3	Confident	81.7	Confident	23 Å²	23	64 Å²	64	12%	0.12	34%	0.343	C	S	.	.	H	α-helix	trans	-57.5	-47.9	-178.8	-97.7	153.9	0	0	0	113.3	Q49 I56 V91 H98 F99 I100	Q49-L96 HydrophobicContact CB-CD2 4.27Å; Q49-L96 HydrophobicContact CG-CD2 4.5Å; I56-L96 HydrophobicContact CD1-CD1 3.82Å; V91-L96 PolarHBondContact O-N 2.96Å; L96-H98 VanDerWaalsContact C-N 3.31Å; L96-H98 PolarHBondContact O-N 2.9Å; L96-F99 PolarHBondContact O-N 3.23Å; L96-I100 WeakPolarHBondContact O-CG1 3.28Å; L96-I100 PolarHBondContact O-N 3.13Å
97	P	85.4	Confident	81	Confident	59 Å²	59	66.7 Å²	66.7	38%	0.383	35%	0.348	S	S	.	.	H	α-helix	trans	-60.9	-37.4	176.3	-26.5	37.3	0	0	0	113.1	A92 F99 I100 M101	A92-P97 WeakPolarHBondContact O-CD 3.35Å; P97-F99 PolarHBondContact O-N 2.93Å; P97-I100 PolarHBondContact O-N 3.4Å; P97-M101 WeakPolarHBondContact O-CB 3.05Å; P97-M101 WeakPolarHBondContact O-CG 3.48Å; P97-M101 PolarHBondContact O-N 3.2Å
98	H	79.7	Confident	80.2	Confident	31 Å²	31	68.7 Å²	68.7	14%	0.144	35%	0.351	C	S	.	.	H	α-helix	trans	-66.9	-34.8	176.7	-103.6	-83.6	0	0	0	113.1	I95 L96 R102 W108 Y110 F116	I95-H98 PolarHBondContact O-N 3.46Å; L96-H98 VanDerWaalsContact C-N 3.31Å; L96-H98 PolarHBondContact O-N 2.9Å; H98-R102 PolarHBondContact O-N 3.28Å; H98-R102 VanDerWaalsContact O-N 3.11Å; H98-W108 HydrophobicContact CB-CH2 3.78Å; H98-W108 HydrophobicContact CB-CZ3 4.05Å; H98-W108 AromaticContact CE1-CZ2 3.79Å; H98-W108 AromaticContact CG-CH2 3.67Å; H98-W108 AromaticContact ND1-CH2 3.06Å; H98-W108 WeakPolarHBondContact ND1-CH2 3.33Å; H98-W108 AromaticContact ND1-CZ2 3.28Å; H98-W108 VanDerWaalsContact ND1-CZ2 3.28Å; H98-W108 WeakPolarHBondContact ND1-CZ2 3.39Å; H98-W108 AromaticContact ND1-CZ3 3.68Å; H98-Y110 AromaticContact CE1-CD2 3.37Å; H98-Y110 WeakPolarHBondContact CE1-CD2 3.49Å; H98-Y110 AromaticContact CE1-CE2 3.56Å; H98-F116 AromaticContact CD2-CE1 3.82Å; H98-F116 AromaticContact CD2-CZ 3.77Å; H98-F116 AromaticContact CE1-CE2 3.86Å; H98-F116 AromaticContact CE1-CZ 3.75Å; H98-F116 AromaticContact NE2-CE1 3.75Å; H98-F116 AromaticContact NE2-CE2 3.77Å; H98-F116 AromaticContact NE2-CZ 3.19Å; H98-F116 WeakPolarHBondContact NE2-CZ 3.25Å
99	F	78.3	Confident	79.4	Confident	114 Å²	114	68.2 Å²	68.2	50%	0.5	35%	0.351	S	S	.	.	H	α-helix	trans	-68.7	-43.6	172.6	-94.8	-92	0	0	0	112.1	I95 L96 P97 R102 Q103	I95-F99 HydrophobicContact CG2-CD2 3.88Å; I95-F99 HydrophobicContact CG2-CE2 4Å; I95-F99 PolarHBondContact O-N 3.17Å; L96-F99 PolarHBondContact O-N 3.23Å; P97-F99 PolarHBondContact O-N 2.93Å; F99-R102 PolarHBondContact O-N 2.94Å; F99-Q103 PolarHBondContact O-N 3.47Å; F99-Q103 VanDerWaalsContact O-N 3.09Å
100	I	83.5	Confident	78.4	Confident	28 Å²	28	72.2 Å²	72.2	14%	0.144	37%	0.365	C	S	.	.	H	α-helix	trans	-60.2	-47.6	175.3	-66.6	161.3	0	0	0	110.3	I46 Q49 I50 L96 P97 R102 Q103 V104	I46-I100 HydrophobicContact CG2-CG2 4.08Å; Q49-I100 HydrophobicContact CB-CD1 4.15Å; Q49-I100 HydrophobicContact CB-CG1 3.96Å; I50-I100 HydrophobicContact CG1-CD1 3.81Å; L96-I100 WeakPolarHBondContact O-CG1 3.28Å; L96-I100 PolarHBondContact O-N 3.13Å; P97-I100 PolarHBondContact O-N 3.4Å; I100-R102 VanDerWaalsContact C-N 3.32Å; I100-R102 PolarHBondContact O-N 3.26Å; I100-Q103 PolarHBondContact O-N 3.09Å; I100-V104 HydrophobicContact CG2-CG2 4.24Å; I100-V104 WeakPolarHBondContact O-CG2 3.46Å; I100-V104 PolarHBondContact O-N 3.35Å
101	M	82.8	Confident	77.2	Confident	59 Å²	59	77.5 Å²	77.5	29%	0.291	39%	0.388	S	S	.	.	H	α-helix	trans	-55.4	-45.2	175.5	-70.9	-76.8	-78.1	0	0	111.6	P97 Q103 V104 Y105 Y110	P97-M101 WeakPolarHBondContact O-CB 3.05Å; P97-M101 WeakPolarHBondContact O-CG 3.48Å; P97-M101 PolarHBondContact O-N 3.2Å; M101-Q103 VanDerWaalsContact C-N 3.28Å; M101-Q103 PolarHBondContact O-N 3.26Å; M101-V104 PolarHBondContact O-N 3.3Å; M101-Y105 HydrophobicContact CE-CD2 4.29Å; M101-Y105 HydrophobicContact CE-CE2 3.63Å; M101-Y105 VanDerWaalsContact O-CD2 3.31Å; M101-Y105 WeakPolarHBondContact O-CD2 3.33Å; M101-Y105 PolarHBondContact O-N 3.26Å; M101-Y105 HydrophobicContact SD-CD2 4.43Å; M101-Y105 HydrophobicContact SD-CE2 3.83Å; M101-Y110 HydrophobicContact CE-CE2 4.42Å
102	R	76.3	Confident	76.2	Confident	141 Å²	141	77.6 Å²	77.6	53%	0.532	39%	0.391	S	S	.	.	H	α-helix	trans	-61.7	-34.1	176.9	-168.9	-177.8	174.7	173.5	-1.5	113	H98 F99 I100 G106 W108	H98-R102 PolarHBondContact O-N 3.28Å; H98-R102 VanDerWaalsContact O-N 3.11Å; F99-R102 PolarHBondContact O-N 2.94Å; I100-R102 VanDerWaalsContact C-N 3.32Å; I100-R102 PolarHBondContact O-N 3.26Å; R102-G106 CarbonylContact O-C 3.49Å; R102-G106 WeakPolarHBondContact O-CA 3.16Å; R102-G106 PolarHBondContact O-N 2.82Å; R102-W108 HydrophobicContact CB-CE3 4.03Å; R102-W108 HydrophobicContact CB-CZ3 4.47Å; R102-W108 HydrophobicContact CG-CE3 4.19Å
103	Q	77.7	Confident	74.9	Confident	71 Å²	71	83.7 Å²	83.7	33%	0.332	42%	0.417	S	S	.	.	H	α-helix	trans	-75.9	-36.9	176.3	-70.7	-173.1	-16.9	0	0	112.7	I46 F99 I100 M101	I46-Q103 HydrophobicContact CD1-CB 4.29Å; I46-Q103 HydrophobicContact CG1-CB 4.28Å; F99-Q103 PolarHBondContact O-N 3.47Å; F99-Q103 VanDerWaalsContact O-N 3.09Å; I100-Q103 PolarHBondContact O-N 3.09Å; M101-Q103 VanDerWaalsContact C-N 3.28Å; M101-Q103 PolarHBondContact O-N 3.26Å
104	V	80.1	Confident	73.4	Confident	89 Å²	89	87 Å²	87	54%	0.539	43%	0.427	S	S	.	.	H	α-helix	trans	-67.8	-45	177.2	170.7	0	0	0	0	111.9	I46 I100 M101	I46-V104 HydrophobicContact CD1-CG2 3.88Å; I100-V104 HydrophobicContact CG2-CG2 4.24Å; I100-V104 WeakPolarHBondContact O-CG2 3.46Å; I100-V104 PolarHBondContact O-N 3.35Å; M101-V104 PolarHBondContact O-N 3.3Å
105	Y	78.8	Confident	72.4	Confident	117 Å²	117	89 Å²	89	46%	0.459	44%	0.438	S	S	.	.	H	α-helix	trans	-87.2	-16	-178.8	-71.2	-77.3	0	0	0	113.8	M101 Y107 P109	M101-Y105 HydrophobicContact CE-CD2 4.29Å; M101-Y105 HydrophobicContact CE-CE2 3.63Å; M101-Y105 VanDerWaalsContact O-CD2 3.31Å; M101-Y105 WeakPolarHBondContact O-CD2 3.33Å; M101-Y105 PolarHBondContact O-N 3.26Å; M101-Y105 HydrophobicContact SD-CD2 4.43Å; M101-Y105 HydrophobicContact SD-CE2 3.83Å; Y105-Y107 HydrophobicContact CD1-CE1 4.49Å; Y105-Y107 WeakPolarHBondContact O-CD1 3.45Å; Y105-Y107 WeakPolarHBondContact O-CE1 3.35Å; Y105-Y107 PolarHBondContact O-N 3.41Å; Y105-P109 HydrophobicContact CD2-CG 4.36Å
106	G	71.5	Confident	71.4	Confident	67 Å²	67	89.6 Å²	89.6	69%	0.691	44%	0.439	S	S	*	.	S	Bend	trans	72.8	-28.9	-173.1	0	0	0	0	0	114.6	R102	R102-G106 CarbonylContact O-C 3.49Å; R102-G106 WeakPolarHBondContact O-CA 3.16Å; R102-G106 PolarHBondContact O-N 2.82Å
107	Y	72.4	Confident	70.4	Confident	146 Å²	146	90 Å²	90	57%	0.573	45%	0.448	S	S	*	.	S	Bend	trans	-109.7	177.8	170	64.3	-87.2	0	0	0	111.6	Y105 P109	Y105-Y107 HydrophobicContact CD1-CE1 4.49Å; Y105-Y107 WeakPolarHBondContact O-CD1 3.45Å; Y105-Y107 WeakPolarHBondContact O-CE1 3.35Å; Y105-Y107 PolarHBondContact O-N 3.41Å; Y107-P109 HydrophobicContact CD2-CB 4.5Å; Y107-P109 HydrophobicContact CE2-CB 4Å
108	W	66.7	Low	69.2	Low	64 Å²	64	92.6 Å²	92.6	24%	0.242	45%	0.454	C	S	.	.			trans	-103	113	177.4	-178.5	-93.1	0	0	0	109.7	H98 R102 Y110 F116	H98-W108 HydrophobicContact CB-CH2 3.78Å; H98-W108 HydrophobicContact CB-CZ3 4.05Å; H98-W108 AromaticContact CE1-CZ2 3.79Å; H98-W108 AromaticContact CG-CH2 3.67Å; H98-W108 AromaticContact ND1-CH2 3.06Å; H98-W108 WeakPolarHBondContact ND1-CH2 3.33Å; H98-W108 AromaticContact ND1-CZ2 3.28Å; H98-W108 VanDerWaalsContact ND1-CZ2 3.28Å; H98-W108 WeakPolarHBondContact ND1-CZ2 3.39Å; H98-W108 AromaticContact ND1-CZ3 3.68Å; R102-W108 HydrophobicContact CB-CE3 4.03Å; R102-W108 HydrophobicContact CB-CZ3 4.47Å; R102-W108 HydrophobicContact CG-CE3 4.19Å; W108-Y110 VanDerWaalsContact C-N 3.31Å; W108-Y110 PolarHBondContact NE1-O 3.17Å; W108-Y110 PolarHBondContact O-N 2.85Å; W108-F116 HydrophobicContact CZ2-CD2 4.37Å
109	P	64.8	Low	68.5	Low	49 Å²	49	94.2 Å²	94.2	32%	0.318	46%	0.463	S	S	.	.			trans	-84.3	9.4	-167.4	31.7	-35.4	0	0	0	115.5	Y105 Y107	Y105-P109 HydrophobicContact CD2-CG 4.36Å; Y107-P109 HydrophobicContact CD2-CB 4.5Å; Y107-P109 HydrophobicContact CE2-CB 4Å
110	Y	68.3	Low	67.7	Low	107 Å²	107	96.1 Å²	96.1	42%	0.42	47%	0.468	S	S	.	.			trans	-127.7	119.7	-176.2	-57.9	-81.7	0	0	0	112.1	H98 M101 W108 S112	H98-Y110 AromaticContact CE1-CD2 3.37Å; H98-Y110 WeakPolarHBondContact CE1-CD2 3.49Å; H98-Y110 AromaticContact CE1-CE2 3.56Å; M101-Y110 HydrophobicContact CE-CE2 4.42Å; W108-Y110 VanDerWaalsContact C-N 3.31Å; W108-Y110 PolarHBondContact NE1-O 3.17Å; W108-Y110 PolarHBondContact O-N 2.85Å; Y110-S112 PolarHBondContact O-N 2.81Å
111	E	59.3	Low	67	Low	194 Å²	194	100 Å²	100	91%	0.907	49%	0.487	S	S	*	.	S	Bend	trans	-61.7	-17.1	-176.4	-58.6	-176.6	131.7	0	0	114.7	H113	E111-H113 PolarHBondContact O-N 3.27Å
112	S	59.7	Low	66.2	Low	57 Å²	57	103.2 Å²	103.2	40%	0.399	50%	0.497	S	S	.	.			trans	-76.5	50.5	-172	53.7	0	0	0	0	115.1	Y110 E114 L115	Y110-S112 PolarHBondContact O-N 2.81Å; S112-E114 PolarHBondContact O-N 2.85Å; S112-E114 VanDerWaalsContact O-N 3.1Å; S112-L115 PolarHBondContact O-N 3.38Å
113	H	56.7	Low	65.5	Low	141 Å²	141	99.2 Å²	99.2	65%	0.653	49%	0.485	S	S	*	.	H	α-helix	trans	-49.2	-36.5	179.9	-83.3	-86.5	0	0	0	114.8	E111	E111-H113 PolarHBondContact O-N 3.27Å
114	E	56.7	Low	65	Low	149 Å²	149	101.9 Å²	101.9	70%	0.696	50%	0.496	S	S	*	.	H	α-helix	trans	-74.4	-36.5	-174.3	-60.6	-161.9	161.9	0	0	113.6	S112 F116 G117 F118	S112-E114 PolarHBondContact O-N 2.85Å; S112-E114 VanDerWaalsContact O-N 3.1Å; E114-F116 PolarHBondContact O-N 3.3Å; E114-G117 PolarHBondContact O-N 2.72Å; E114-F118 HydrophobicContact CB-CD2 4.27Å; E114-F118 HydrophobicContact CB-CE2 4.48Å; E114-F118 WeakPolarHBondContact O-CD2 3.42Å; E114-F118 PolarHBondContact O-N 3.45Å
115	L	59.2	Low	64.5	Low	113 Å²	113	104.5 Å²	104.5	59%	0.592	50%	0.496	S	S	*	.	H	α-helix	trans	-65.8	-44.9	-164.7	-150	82.7	0	0	0	112.3	S112 F118 I119	S112-L115 PolarHBondContact O-N 3.38Å; L115-F118 PolarHBondContact O-N 2.93Å; L115-I119 WeakPolarHBondContact O-CG1 3.41Å; L115-I119 PolarHBondContact O-N 3.39Å
116	F	58.9	Low	64	Low	63 Å²	63	101.7 Å²	101.7	28%	0.276	49%	0.491	S	S	.	.	H	α-helix	trans	-69.7	-34.1	177.8	-68.1	-84.1	0	0	0	112.3	H98 W108 E114 I119 Y120	H98-F116 AromaticContact CD2-CE1 3.82Å; H98-F116 AromaticContact CD2-CZ 3.77Å; H98-F116 AromaticContact CE1-CE2 3.86Å; H98-F116 AromaticContact CE1-CZ 3.75Å; H98-F116 AromaticContact NE2-CE1 3.75Å; H98-F116 AromaticContact NE2-CE2 3.77Å; H98-F116 AromaticContact NE2-CZ 3.19Å; H98-F116 WeakPolarHBondContact NE2-CZ 3.25Å; W108-F116 HydrophobicContact CZ2-CD2 4.37Å; E114-F116 PolarHBondContact O-N 3.3Å; F116-I119 PolarHBondContact O-N 2.96Å; F116-Y120 PolarHBondContact O-N 3.13Å
117	G	61.7	Low	63.5	Low	32 Å²	32	103.1 Å²	103.1	33%	0.33	48%	0.482	S	S	.	.	H	α-helix	trans	-62.7	-43.1	170.9	0	0	0	0	0	112.2	E114 Y120 I121	E114-G117 PolarHBondContact O-N 2.72Å; G117-Y120 PolarHBondContact O-N 3.18Å; G117-I121 WeakPolarHBondContact O-CB 3.45Å; G117-I121 VanDerWaalsContact O-CG1 3.28Å; G117-I121 WeakPolarHBondContact O-CG1 3.36Å; G117-I121 PolarHBondContact O-N 3.25Å
118	F	60.1	Low	63.2	Low	113 Å²	113	100.3 Å²	100.3	50%	0.496	47%	0.474	S	S	.	.	H	α-helix	trans	-62.7	-40.3	173.9	-93.2	-73.6	0	0	0	112.9	E114 L115 R122	E114-F118 HydrophobicContact CB-CD2 4.27Å; E114-F118 HydrophobicContact CB-CE2 4.48Å; E114-F118 WeakPolarHBondContact O-CD2 3.42Å; E114-F118 PolarHBondContact O-N 3.45Å; L115-F118 PolarHBondContact O-N 2.93Å; F118-R122 VanDerWaalsContact O-CB 3.31Å; F118-R122 WeakPolarHBondContact O-CB 3.37Å; F118-R122 WeakPolarHBondContact O-CG 3.23Å; F118-R122 PolarHBondContact O-N 3.08Å
119	I	64.6	Low	63.2	Low	65 Å²	65	102.7 Å²	102.7	33%	0.333	48%	0.483	S	S	.	.	H	α-helix	trans	-62.7	-48.2	175.2	-69.3	165	0	0	0	110.5	L115 F116 I121 R122 I123	L115-I119 WeakPolarHBondContact O-CG1 3.41Å; L115-I119 PolarHBondContact O-N 3.39Å; F116-I119 PolarHBondContact O-N 2.96Å; I119-I121 PolarHBondContact O-N 3.42Å; I119-R122 PolarHBondContact O-N 3.39Å; I119-I123 HydrophobicContact CG2-CD1 3.76Å; I119-I123 HydrophobicContact CG2-CG1 4.46Å; I119-I123 WeakPolarHBondContact O-CG1 3.38Å; I119-I123 PolarHBondContact O-N 3.3Å
120	Y	62.5	Low	62.8	Low	154 Å²	154	105.3 Å²	105.3	60%	0.604	49%	0.486	S	S	*	.	H	α-helix	trans	-57.3	-49	176.9	-177.6	-91.7	0	0	0	111.8	F116 G117 R122 I123 F124	F116-Y120 PolarHBondContact O-N 3.13Å; G117-Y120 PolarHBondContact O-N 3.18Å; Y120-R122 PolarHBondContact O-N 2.71Å; Y120-I123 PolarHBondContact O-N 3.3Å; Y120-F124 WeakPolarHBondContact O-CB 3.4Å; Y120-F124 PolarHBondContact O-N 3.02Å
121	I	67.5	Low	62.2	Low	108 Å²	108	103.7 Å²	103.7	55%	0.554	49%	0.49	S	S	*	.	H	α-helix	trans	-63.1	-40.3	178.1	-67.9	166.2	0	0	0	111.3	G117 I119 W125	G117-I121 WeakPolarHBondContact O-CB 3.45Å; G117-I121 VanDerWaalsContact O-CG1 3.28Å; G117-I121 WeakPolarHBondContact O-CG1 3.36Å; G117-I121 PolarHBondContact O-N 3.25Å; I119-I121 PolarHBondContact O-N 3.42Å; I121-W125 WeakPolarHBondContact O-CB 3.36Å; I121-W125 PolarHBondContact O-N 3.48Å
122	R	66	Low	61.9	Low	128 Å²	128	99.2 Å²	99.2	48%	0.483	47%	0.468	S	S	.	.	H	α-helix	trans	-63.7	-47.8	177	-84.7	-78.7	179.2	120.7	-5.8	112.1	F118 I119 Y120 W125 V126	F118-R122 VanDerWaalsContact O-CB 3.31Å; F118-R122 WeakPolarHBondContact O-CB 3.37Å; F118-R122 WeakPolarHBondContact O-CG 3.23Å; F118-R122 PolarHBondContact O-N 3.08Å; I119-R122 PolarHBondContact O-N 3.39Å; Y120-R122 PolarHBondContact O-N 2.71Å; R122-W125 PolarHBondContact O-N 3.3Å; R122-V126 WeakPolarHBondContact O-CG2 3.37Å; R122-V126 PolarHBondContact O-N 3.41Å
123	I	63.6	Low	61.6	Low	57 Å²	57	100.3 Å²	100.3	29%	0.292	47%	0.467	S	S	.	.	H	α-helix	trans	-62	-49.8	178.2	-67.4	170.2	0	0	0	109.9	I119 Y120 W125 V126 I127	I119-I123 HydrophobicContact CG2-CD1 3.76Å; I119-I123 HydrophobicContact CG2-CG1 4.46Å; I119-I123 WeakPolarHBondContact O-CG1 3.38Å; I119-I123 PolarHBondContact O-N 3.3Å; Y120-I123 PolarHBondContact O-N 3.3Å; I123-W125 PolarHBondContact O-N 3.01Å; I123-V126 PolarHBondContact O-N 3.5Å; I123-I127 HydrophobicContact CG2-CD1 3.8Å; I123-I127 WeakPolarHBondContact O-CG1 3.31Å; I123-I127 PolarHBondContact O-N 3.27Å
124	F	66.6	Low	61.4	Low	126 Å²	126	100.4 Å²	100.4	55%	0.553	47%	0.466	S	S	*	.	H	α-helix	trans	-58.7	-43.6	177.9	-176.3	-92.7	0	0	0	112.4	Y120 I127 H128	Y120-F124 WeakPolarHBondContact O-CB 3.4Å; Y120-F124 PolarHBondContact O-N 3.02Å; F124-I127 PolarHBondContact O-N 2.92Å; F124-H128 HydrophobicContact CE1-CB 4.42Å; F124-H128 VanDerWaalsContact O-CB 3.27Å; F124-H128 WeakPolarHBondContact O-CB 3.35Å; F124-H128 PolarHBondContact O-N 2.87Å
125	W	68.4	Low	61	Low	144 Å²	144	100 Å²	100	55%	0.545	46%	0.463	S	S	.	.	H	α-helix	trans	-68.3	-36.5	-179.7	-168.6	85.5	0	0	0	113	I121 R122 I123 R129	I121-W125 WeakPolarHBondContact O-CB 3.36Å; I121-W125 PolarHBondContact O-N 3.48Å; R122-W125 PolarHBondContact O-N 3.3Å; I123-W125 PolarHBondContact O-N 3.01Å; W125-R129 WeakPolarHBondContact O-CB 3.23Å; W125-R129 PolarHBondContact O-N 2.92Å
126	V	68.4	Low	60.5	Low	59 Å²	59	101.5 Å²	101.5	36%	0.358	47%	0.466	S	S	.	.	H	α-helix	trans	-63.8	-45.8	173.5	168.7	0	0	0	0	110.9	R122 I123 R129 R130	R122-V126 WeakPolarHBondContact O-CG2 3.37Å; R122-V126 PolarHBondContact O-N 3.41Å; I123-V126 PolarHBondContact O-N 3.5Å; V126-R129 PolarHBondContact O-N 3.38Å; V126-R130 WeakPolarHBondContact O-CB 3.32Å; V126-R130 PolarHBondContact O-N 3.2Å
127	I	62	Low	59.4	Low	97 Å²	97	101.4 Å²	101.4	50%	0.497	48%	0.482	S	S	.	.	H	α-helix	trans	-63	-50.7	177.1	-66.2	168	0	0	0	110.6	I123 F124 R129 R130 S131	I123-I127 HydrophobicContact CG2-CD1 3.8Å; I123-I127 WeakPolarHBondContact O-CG1 3.31Å; I123-I127 PolarHBondContact O-N 3.27Å; F124-I127 PolarHBondContact O-N 2.92Å; I127-R129 PolarHBondContact O-N 3.46Å; I127-R130 PolarHBondContact O-N 3.11Å; I127-S131 PolarHBondContact O-N 3.4Å
128	H	66.7	Low	58.5	Low	87 Å²	87	108.7 Å²	108.7	40%	0.403	51%	0.505	S	S	.	.	H	α-helix	trans	-59.8	-42.7	178.7	171.6	-83.4	0	0	0	112.2	F124 S131 K132	F124-H128 HydrophobicContact CE1-CB 4.42Å; F124-H128 VanDerWaalsContact O-CB 3.27Å; F124-H128 WeakPolarHBondContact O-CB 3.35Å; F124-H128 PolarHBondContact O-N 2.87Å; H128-S131 WeakPolarHBondContact O-CB 3.49Å; H128-S131 PolarHBondContact O-N 3.4Å; H128-K132 PolarHBondContact O-N 3.21Å; H128-K132 VanDerWaalsContact O-N 3.11Å
129	R	66.4	Low	57.6	Low	114 Å²	114	109.1 Å²	109.1	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-63.8	-46.3	177.3	179.3	172.3	173.5	143.4	6.4	111.6	W125 V126 I127 S131 K132 E133	W125-R129 WeakPolarHBondContact O-CB 3.23Å; W125-R129 PolarHBondContact O-N 2.92Å; V126-R129 PolarHBondContact O-N 3.38Å; I127-R129 PolarHBondContact O-N 3.46Å; R129-S131 VanDerWaalsContact C-N 3.28Å; R129-S131 PolarHBondContact O-N 3.35Å; R129-K132 PolarHBondContact O-N 3.23Å; R129-E133 HydrophobicContact CG-CG 4.49Å; R129-E133 WeakPolarHBondContact CG-OE1 3.38Å; R129-E133 IonicContact CZ-OE1 2.69Å; R129-E133 IonicContact NE-OE1 3.3Å; R129-E133 PolarHBondContact NE-OE1 2.91Å; R129-E133 IonicContact NH2-OE1 2.85Å; R129-E133 PolarHBondContact NH2-OE1 3.14Å; R129-E133 WeakPolarHBondContact O-CG 3.25Å; R129-E133 PolarHBondContact O-N 3.33Å
130	R	56.6	Low	56.5	Low	104 Å²	104	108.8 Å²	108.8	39%	0.392	51%	0.51	S	S	.	.	H	α-helix	trans	-63.1	-34.2	176.5	-79.3	-76	167.2	110	-2	112.5	V126 I127 E133 F134 S150	V126-R130 WeakPolarHBondContact O-CB 3.32Å; V126-R130 PolarHBondContact O-N 3.2Å; I127-R130 PolarHBondContact O-N 3.11Å; R130-E133 WeakPolarHBondContact CD-OE2 3.4Å; R130-E133 IonicContact NE-OE2 3.37Å; R130-E133 PolarHBondContact NE-OE2 2.99Å; R130-E133 PolarHBondContact O-N 3.26Å; R130-F134 PolarHBondContact O-N 3.47Å; R130-S150 PolarHBondContact NH2-OG 2.83Å
131	S	55	Low	55.6	Low	72 Å²	72	107.4 Å²	107.4	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-60.8	-47.3	172.4	-166.1	0	0	0	0	111.8	I127 H128 R129 F134 E135	I127-S131 PolarHBondContact O-N 3.4Å; H128-S131 WeakPolarHBondContact O-CB 3.49Å; H128-S131 PolarHBondContact O-N 3.4Å; R129-S131 VanDerWaalsContact C-N 3.28Å; R129-S131 PolarHBondContact O-N 3.35Å; S131-F134 WeakPolarHBondContact O-CA 3.34Å; S131-F134 VanDerWaalsContact O-CB 3.25Å; S131-F134 WeakPolarHBondContact O-CB 3.14Å; S131-F134 PolarHBondContact O-N 3.48Å; S131-F134 VanDerWaalsContact O-N 3.09Å; S131-E135 PolarHBondContact O-N 3.07Å
132	K	52.2	Low	54.2	Low	101 Å²	101	105.8 Å²	105.8	44%	0.439	52%	0.516	S	S	.	.	H	α-helix	trans	-69.1	-34.6	177	-68.9	-150.3	168.4	-162	0	114	H128 R129 F134 E135 F136	H128-K132 PolarHBondContact O-N 3.21Å; H128-K132 VanDerWaalsContact O-N 3.11Å; R129-K132 PolarHBondContact O-N 3.23Å; K132-F134 PolarHBondContact O-N 2.96Å; K132-E135 PolarHBondContact O-N 3Å; K132-F136 WeakPolarHBondContact O-CD2 3.32Å; K132-F136 PolarHBondContact O-N 3.17Å
133	E	54.9	Low	53	Low	79 Å²	79	104 Å²	104	37%	0.369	52%	0.52	S	S	.	.	H	α-helix	trans	-60.8	-26.3	171.5	-72.6	167.6	176.6	0	0	111.2	R129 R130	R129-E133 HydrophobicContact CG-CG 4.49Å; R129-E133 WeakPolarHBondContact CG-OE1 3.38Å; R129-E133 IonicContact CZ-OE1 2.69Å; R129-E133 IonicContact NE-OE1 3.3Å; R129-E133 PolarHBondContact NE-OE1 2.91Å; R129-E133 IonicContact NH2-OE1 2.85Å; R129-E133 PolarHBondContact NH2-OE1 3.14Å; R129-E133 WeakPolarHBondContact O-CG 3.25Å; R129-E133 PolarHBondContact O-N 3.33Å; R130-E133 WeakPolarHBondContact CD-OE2 3.4Å; R130-E133 IonicContact NE-OE2 3.37Å; R130-E133 PolarHBondContact NE-OE2 2.99Å; R130-E133 PolarHBondContact O-N 3.26Å
134	F	51.3	Low	51.9	Low	144 Å²	144	109.8 Å²	109.8	63%	0.632	54%	0.543	S	S	*	.	H	α-helix	trans	-80.3	-40.9	173	-137	-85.7	0	0	0	113.7	R130 S131 K132 F136	R130-F134 PolarHBondContact O-N 3.47Å; S131-F134 WeakPolarHBondContact O-CA 3.34Å; S131-F134 VanDerWaalsContact O-CB 3.25Å; S131-F134 WeakPolarHBondContact O-CB 3.14Å; S131-F134 PolarHBondContact O-N 3.48Å; S131-F134 VanDerWaalsContact O-N 3.09Å; K132-F134 PolarHBondContact O-N 2.96Å; F134-F136 VanDerWaalsContact C-N 3.33Å; F134-F136 PolarHBondContact O-N 2.89Å
135	E	48.8	Very low	50.8	Low	139 Å²	139	109 Å²	109	65%	0.65	54%	0.542	S	S	*	.	H	α-helix	trans	-59.5	-39.2	178.1	-77.3	-172.5	125.1	0	0	113.2	S131 K132	S131-E135 PolarHBondContact O-N 3.07Å; K132-E135 PolarHBondContact O-N 3Å
136	F	49.1	Very low	49.7	Very low	146 Å²	146	106.9 Å²	106.9	64%	0.64	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-1.8	-171	-79.4	-78.9	0	0	0	115.1	K132 F134 K138	K132-F136 WeakPolarHBondContact O-CD2 3.32Å; K132-F136 PolarHBondContact O-N 3.17Å; F134-F136 VanDerWaalsContact C-N 3.33Å; F134-F136 PolarHBondContact O-N 2.89Å; F136-K138 PolarHBondContact O-N 3.36Å
137	G	36.1	Very low	48.3	Very low	60 Å²	60	113.4 Å²	113.4	62%	0.619	56%	0.556	S	S	*	*			trans	63.2	1	176.5	0	0	0	0	0	116.4	F139	G137-F139 VanDerWaalsContact C-N 3.31Å; G137-F139 PolarHBondContact O-N 2.61Å
138	K	42.2	Very low	47.2	Very low	186 Å²	186	117.3 Å²	117.3	81%	0.809	57%	0.569	S	S	*	*			trans	-79.9	69.8	-175.8	-72.9	-172.5	175	-174.8	0	112.5	F136	F136-K138 PolarHBondContact O-N 3.36Å
139	F	41.7	Very low	45.8	Very low	121 Å²	121	115 Å²	115	53%	0.531	57%	0.57	S	S	.	*			trans	-75.4	131.2	161.2	-87.7	-102.1	0	0	0	110.1	G137 H146	G137-F139 VanDerWaalsContact C-N 3.31Å; G137-F139 PolarHBondContact O-N 2.61Å; F139-H146 AromaticContact CD1-CE1 3.55Å; F139-H146 AromaticContact CD1-NE2 3.75Å; F139-H146 AromaticContact CE1-CE1 3.61Å
140	S	41.5	Very low	44.8	Very low	59 Å²	59	112.1 Å²	112.1	41%	0.413	57%	0.567	S	S	.	*			trans	-64.2	132.8	167.4	178.5	0	0	0	0	108.4	N142 E145	S140-N142 PolarHBondContact O-N 2.83Å; S140-E145 WeakPolarHBondContact CB-OE2 3.46Å; S140-E145 PolarHBondContact OG-OE2 3.45Å
141	S	43.8	Very low	44.1	Very low	125 Å²	125	114.3 Å²	114.3	87%	0.874	58%	0.579	S	S	*	*	S	Bend	trans	-71.7	4.7	-179.9	52.4	0	0	0	0	113.8	P143	S141-P143 WeakPolarHBondContact O-CD 3.45Å
142	N	38.1	Very low	43.6	Very low	74 Å²	74	119 Å²	119	40%	0.396	59%	0.591	S	S	.	*			trans	-102.6	97.6	-172.2	-165.6	-16.5	0	0	0	112.6	S140 K144 E145	S140-N142 PolarHBondContact O-N 2.83Å; N142-K144 PolarHBondContact O-N 3.32Å; N142-K144 PolarHBondContact OD1-N 3.14Å; N142-E145 HydrophobicContact CB-CG 4.13Å; N142-E145 PolarHBondContact O-N 3.28Å
143	P	41.1	Very low	43.3	Very low	90 Å²	90	119.6 Å²	119.6	58%	0.584	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-4.9	-174.8	28.5	-36.9	0	0	0	114.6	S141	S141-P143 WeakPolarHBondContact O-CD 3.45Å
144	K	39.5	Very low	42.6	Very low	178 Å²	178	119.9 Å²	119.9	77%	0.774	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-33.8	173.6	-69	-179	178.1	175.9	0	112.4	N142	N142-K144 PolarHBondContact O-N 3.32Å; N142-K144 PolarHBondContact OD1-N 3.14Å
145	E	43.8	Very low	42.2	Very low	111 Å²	111	120.8 Å²	120.8	52%	0.519	61%	0.606	S	S	.	*	G	3₁₀ helix	trans	-65.7	-41.7	177.9	-61.8	-171.5	111.9	0	0	111.9	S140 N142 R147 G149	S140-E145 WeakPolarHBondContact CB-OE2 3.46Å; S140-E145 PolarHBondContact OG-OE2 3.45Å; N142-E145 HydrophobicContact CB-CG 4.13Å; N142-E145 PolarHBondContact O-N 3.28Å; E145-R147 PolarHBondContact O-N 2.84Å; E145-R147 VanDerWaalsContact O-N 3.1Å; E145-G149 PolarHBondContact O-N 2.9Å
146	H	45	Very low	41.7	Very low	98 Å²	98	117.5 Å²	117.5	45%	0.454	59%	0.593	S	S	.	*	G	3₁₀ helix	trans	-57.9	-25.8	-177.5	-89.4	-88.1	0	0	0	114.4	F139	F139-H146 AromaticContact CD1-CE1 3.55Å; F139-H146 AromaticContact CD1-NE2 3.75Å; F139-H146 AromaticContact CE1-CE1 3.61Å
147	R	39.6	Very low	41.1	Very low	196 Å²	196	113.3 Å²	113.3	74%	0.74	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-83.6	-18.2	-168.5	-147.2	175.5	-64.1	-163.3	0.2	114.7	E145	E145-R147 PolarHBondContact O-N 2.84Å; E145-R147 VanDerWaalsContact O-N 3.1Å
148	F	38.4	Very low	41.3	Very low	179 Å²	179	116.9 Å²	116.9	79%	0.785	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.2	-15	179.6	-87.9	-84.4	0	0	0	115.8	S150	F148-S150 VanDerWaalsContact C-N 3.34Å; F148-S150 PolarHBondContact O-N 3.04Å
149	G	37.5	Very low	41.3	Very low	40 Å²	40	113 Å²	113	41%	0.412	58%	0.578	S	S	.	*	H	α-helix	trans	-63.7	-32.2	-176.7	0	0	0	0	0	115.3	E145 F151 K152	E145-G149 PolarHBondContact O-N 2.9Å; G149-F151 PolarHBondContact O-N 3.14Å; G149-K152 PolarHBondContact O-N 3.48Å
150	S	44.5	Very low	41.3	Very low	52 Å²	52	112.7 Å²	112.7	36%	0.364	58%	0.58	S	S	.	*	H	α-helix	trans	-67.1	-35.5	-168.1	-69.1	0	0	0	0	114.9	R130 F148	R130-S150 PolarHBondContact NH2-OG 2.83Å; F148-S150 VanDerWaalsContact C-N 3.34Å; F148-S150 PolarHBondContact O-N 3.04Å
151	F	41.8	Very low	40.8	Very low	151 Å²	151	119 Å²	119	66%	0.662	60%	0.597	S	S	*	*	H	α-helix	trans	-82.7	-32.1	179.2	-98.2	-90.3	0	0	0	113	G149 L153 L154 F155	G149-F151 PolarHBondContact O-N 3.14Å; F151-L153 PolarHBondContact O-N 3.19Å; F151-L154 PolarHBondContact O-N 2.94Å; F151-L154 VanDerWaalsContact O-N 3.09Å; F151-F155 HydrophobicContact CD1-CD2 4.42Å; F151-F155 HydrophobicContact CD1-CE2 4.04Å; F151-F155 HydrophobicContact CE1-CE2 4.38Å
152	K	45.3	Very low	40.5	Very low	171 Å²	171	117.9 Å²	117.9	74%	0.743	58%	0.581	S	S	*	*	H	α-helix	trans	-65.1	-28.2	-177	-138.8	172.1	-173	177.8	0	112.3	G149 N156	G149-K152 PolarHBondContact O-N 3.48Å; K152-N156 VanDerWaalsContact O-CB 3.24Å; K152-N156 WeakPolarHBondContact O-CB 3.36Å; K152-N156 PolarHBondContact O-N 3.32Å
153	L	46.6	Very low	40.6	Very low	112 Å²	112	121 Å²	121	59%	0.586	59%	0.593	S	S	*	*	H	α-helix	trans	-72.1	-22.6	174.8	-95.3	163.1	0	0	0	114.8	F151	F151-L153 PolarHBondContact O-N 3.19Å
154	L	40	Very low	40.5	Very low	86 Å²	86	119.9 Å²	119.9	45%	0.45	59%	0.587	S	S	.	*	H	α-helix	trans	-76.9	-34.7	175.9	-86.5	158.6	0	0	0	112.2	F151	F151-L154 PolarHBondContact O-N 2.94Å; F151-L154 VanDerWaalsContact O-N 3.09Å
155	F	42.8	Very low	40.5	Very low	163 Å²	163	118.1 Å²	118.1	72%	0.715	58%	0.58	S	S	*	*	H	α-helix	trans	-115	2.2	-169.5	-64.3	-79.5	0	0	0	115.3	F151 A157	F151-F155 HydrophobicContact CD1-CD2 4.42Å; F151-F155 HydrophobicContact CD1-CE2 4.04Å; F151-F155 HydrophobicContact CE1-CE2 4.38Å; F155-A157 PolarHBondContact O-N 2.71Å
156	N	37.6	Very low	40.1	Very low	70 Å²	70	120.9 Å²	120.9	37%	0.374	59%	0.585	S	S	.	*			trans	-71.3	99.7	176.3	-178.1	11.4	0	0	0	111.8	K152 N158 N159	K152-N156 VanDerWaalsContact O-CB 3.24Å; K152-N156 WeakPolarHBondContact O-CB 3.36Å; K152-N156 PolarHBondContact O-N 3.32Å; N156-N158 PolarHBondContact O-N 2.85Å; N156-N158 WeakPolarHBondContact OD1-CB 3.31Å; N156-N158 PolarHBondContact OD1-N 2.98Å; N156-N159 PolarHBondContact O-N 3.28Å
157	A	36	Very low	39.9	Very low	57 Å²	57	121.6 Å²	121.6	47%	0.471	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-58.5	-26.5	177.7	0	0	0	0	0	113.9	F155 N159 I160	F155-A157 PolarHBondContact O-N 2.71Å; A157-N159 PolarHBondContact O-N 3.29Å; A157-I160 HydrophobicContact CB-CD1 4.29Å; A157-I160 WeakPolarHBondContact O-CB 3.21Å; A157-I160 VanDerWaalsContact O-CG1 3.25Å; A157-I160 WeakPolarHBondContact O-CG1 3.39Å; A157-I160 PolarHBondContact O-N 2.87Å
158	N	40.4	Very low	40.2	Very low	136 Å²	136	119 Å²	119	73%	0.727	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-72.4	-17.4	-175	-63.3	-1.1	0	0	0	112.8	N156 I160	N156-N158 PolarHBondContact O-N 2.85Å; N156-N158 WeakPolarHBondContact OD1-CB 3.31Å; N156-N158 PolarHBondContact OD1-N 2.98Å; N158-I160 VanDerWaalsContact C-N 3.26Å; N158-I160 PolarHBondContact O-N 3.49Å
159	N	42.7	Very low	40.2	Very low	105 Å²	105	115.7 Å²	115.7	56%	0.561	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-81.5	2.9	171.2	-78.7	1.4	0	0	0	113.6	N156 A157	N156-N159 PolarHBondContact O-N 3.28Å; A157-N159 PolarHBondContact O-N 3.29Å
160	I	41.4	Very low	40.4	Very low	114 Å²	114	118 Å²	118	59%	0.585	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-80.3	-18.7	179.2	-61.8	175.5	0	0	0	111.8	A157 N158	A157-I160 HydrophobicContact CB-CD1 4.29Å; A157-I160 WeakPolarHBondContact O-CB 3.21Å; A157-I160 VanDerWaalsContact O-CG1 3.25Å; A157-I160 WeakPolarHBondContact O-CG1 3.39Å; A157-I160 PolarHBondContact O-N 2.87Å; N158-I160 VanDerWaalsContact C-N 3.26Å; N158-I160 PolarHBondContact O-N 3.49Å
161	Y	32.1	Very low	40.1	Very low	192 Å²	192	123.8 Å²	123.8	75%	0.753	59%	0.588	S	S	*	*			trans	-100.9	25.7	-171.2	-82.9	-87.4	0	0	0	115.7	H163	Y161-H163 PolarHBondContact O-N 3.42Å
162	D	37.6	Very low	39.9	Very low	100 Å²	100	124.7 Å²	124.7	54%	0.535	59%	0.592	S	S	.	*			trans	-66	100	170.5	179.2	17.3	0	0	0	111.5	S164 F165	D162-S164 PolarHBondContact O-N 2.83Å; D162-S164 VanDerWaalsContact O-N 3.17Å; D162-S164 WeakPolarHBondContact OD1-CB 3.27Å; D162-S164 PolarHBondContact OD1-N 3.24Å; D162-F165 PolarHBondContact O-N 3.13Å
163	H	38.2	Very low	39.9	Very low	141 Å²	141	120.3 Å²	120.3	65%	0.653	58%	0.582	S	S	*	*	H	α-helix	trans	-58.3	-25.9	178.2	-127	-104.9	0	0	0	113	Y161 F165 H167	Y161-H163 PolarHBondContact O-N 3.42Å; H163-F165 VanDerWaalsContact C-N 3.35Å; H163-F165 PolarHBondContact O-N 3.4Å; H163-H167 WeakPolarHBondContact O-CB 3.48Å; H163-H167 PolarHBondContact O-N 2.79Å; H163-H167 VanDerWaalsContact O-N 3.13Å
164	S	39.8	Very low	39.5	Very low	66 Å²	66	121.3 Å²	121.3	46%	0.462	59%	0.587	S	S	.	*	H	α-helix	trans	-61.2	-41.6	178.6	-168.4	0	0	0	0	112	D162 H167 K168	D162-S164 PolarHBondContact O-N 2.83Å; D162-S164 VanDerWaalsContact O-N 3.17Å; D162-S164 WeakPolarHBondContact OD1-CB 3.27Å; D162-S164 PolarHBondContact OD1-N 3.24Å; S164-H167 PolarHBondContact O-N 2.95Å; S164-K168 PolarHBondContact O-N 3.36Å
165	F	39	Very low	39.5	Very low	141 Å²	141	127.4 Å²	127.4	62%	0.618	60%	0.604	S	S	*	*	H	α-helix	trans	-69.3	-46.7	-177.8	-158.5	-91.7	0	0	0	111.8	D162 H163 H167 K168 M169	D162-F165 PolarHBondContact O-N 3.13Å; H163-F165 VanDerWaalsContact C-N 3.35Å; H163-F165 PolarHBondContact O-N 3.4Å; F165-H167 PolarHBondContact O-N 3.27Å; F165-K168 PolarHBondContact O-N 3.14Å; F165-K168 VanDerWaalsContact O-N 3.14Å; F165-M169 HydrophobicContact CD1-SD 4.31Å; F165-M169 HydrophobicContact CE1-SD 3.84Å; F165-M169 WeakPolarHBondContact O-CB 3.37Å; F165-M169 PolarHBondContact O-N 3.43Å
166	R	36.2	Very low	39.6	Very low	168 Å²	168	124.6 Å²	124.6	63%	0.634	60%	0.597	S	S	*	*	H	α-helix	trans	-58	-37.6	175.4	-170.8	178.2	-69.4	-133.3	0.1	111.3	K168 M169 N170	R166-K168 PolarHBondContact O-N 2.92Å; R166-M169 PolarHBondContact O-N 3.36Å; R166-N170 WeakPolarHBondContact O-CB 3.46Å; R166-N170 PolarHBondContact O-N 3.42Å
167	H	41.1	Very low	39.7	Very low	114 Å²	114	123.8 Å²	123.8	53%	0.528	60%	0.597	S	S	.	*	H	α-helix	trans	-73.6	-22.5	-179.4	-143.6	-31.5	0	0	0	114.5	H163 S164 F165	H163-H167 WeakPolarHBondContact O-CB 3.48Å; H163-H167 PolarHBondContact O-N 2.79Å; H163-H167 VanDerWaalsContact O-N 3.13Å; S164-H167 PolarHBondContact O-N 2.95Å; F165-H167 PolarHBondContact O-N 3.27Å
168	K	44.8	Very low	39.8	Very low	140 Å²	140	125.6 Å²	125.6	61%	0.609	61%	0.606	S	S	*	*	H	α-helix	trans	-81.3	-44.1	167.9	-77.7	179.7	176.1	174.8	0	111.8	S164 F165 R166 R171 F172	S164-K168 PolarHBondContact O-N 3.36Å; F165-K168 PolarHBondContact O-N 3.14Å; F165-K168 VanDerWaalsContact O-N 3.14Å; R166-K168 PolarHBondContact O-N 2.92Å; K168-R171 WeakPolarHBondContact O-CB 3.35Å; K168-R171 PolarHBondContact O-N 3.02Å; K168-R171 VanDerWaalsContact O-N 3.13Å; K168-F172 PolarHBondContact O-N 3.45Å; K168-F172 VanDerWaalsContact O-N 3.08Å
169	M	38.7	Very low	39.6	Very low	111 Å²	111	128.1 Å²	128.1	55%	0.547	61%	0.61	S	S	.	*	H	α-helix	trans	-65.6	-41.5	-178	-154.4	166.8	-171	0	0	111.9	F165 R166 R171 F172 S173	F165-M169 HydrophobicContact CD1-SD 4.31Å; F165-M169 HydrophobicContact CE1-SD 3.84Å; F165-M169 WeakPolarHBondContact O-CB 3.37Å; F165-M169 PolarHBondContact O-N 3.43Å; R166-M169 PolarHBondContact O-N 3.36Å; M169-R171 VanDerWaalsContact C-N 3.31Å; M169-R171 PolarHBondContact O-N 3.34Å; M169-F172 PolarHBondContact O-N 2.89Å; M169-F172 VanDerWaalsContact O-N 3.16Å; M169-S173 PolarHBondContact O-N 2.9Å
170	N	42	Very low	39.4	Very low	87 Å²	87	129 Å²	129	47%	0.465	61%	0.614	S	S	.	*	H	α-helix	trans	-62.6	-35.9	172	-74.9	5.3	0	0	0	112.4	R166 F172 S173 L174	R166-N170 WeakPolarHBondContact O-CB 3.46Å; R166-N170 PolarHBondContact O-N 3.42Å; N170-F172 VanDerWaalsContact C-N 3.31Å; N170-F172 PolarHBondContact O-N 3.38Å; N170-S173 PolarHBondContact O-N 2.94Å; N170-L174 WeakPolarHBondContact O-CB 3.48Å; N170-L174 WeakPolarHBondContact O-CG 3.3Å; N170-L174 PolarHBondContact O-N 3.41Å
171	R	39	Very low	38.9	Very low	175 Å²	175	133.7 Å²	133.7	66%	0.66	62%	0.624	S	S	*	*	H	α-helix	trans	-67.8	-28.5	175.1	-99.7	-168.6	-87.8	-163.1	-10.3	113.2	K168 M169	K168-R171 WeakPolarHBondContact O-CB 3.35Å; K168-R171 PolarHBondContact O-N 3.02Å; K168-R171 VanDerWaalsContact O-N 3.13Å; M169-R171 VanDerWaalsContact C-N 3.31Å; M169-R171 PolarHBondContact O-N 3.34Å
172	F	37.5	Very low	38.8	Very low	170 Å²	170	131.4 Å²	131.4	75%	0.746	62%	0.624	S	S	*	*	H	α-helix	trans	-77	-45.6	171.2	-109.6	-92.2	0	0	0	112	K168 M169 N170 R175	K168-F172 PolarHBondContact O-N 3.45Å; K168-F172 VanDerWaalsContact O-N 3.08Å; M169-F172 PolarHBondContact O-N 2.89Å; M169-F172 VanDerWaalsContact O-N 3.16Å; N170-F172 VanDerWaalsContact C-N 3.31Å; N170-F172 PolarHBondContact O-N 3.38Å; F172-R175 PolarHBondContact O-N 3.06Å
173	S	43.8	Very low	38.4	Very low	78 Å²	78	136.1 Å²	136.1	55%	0.545	64%	0.64	S	S	.	*	H	α-helix	trans	-59	-49.6	178.8	178	0	0	0	0	112.6	M169 N170 R175 N176 S177	M169-S173 PolarHBondContact O-N 2.9Å; N170-S173 PolarHBondContact O-N 2.94Å; S173-R175 PolarHBondContact O-N 3.39Å; S173-R175 VanDerWaalsContact O-N 3.15Å; S173-N176 PolarHBondContact O-N 3.42Å; S173-S177 PolarHBondContact O-N 2.85Å; S173-S177 VanDerWaalsContact O-N 3.15Å
174	L	39.2	Very low	37.9	Very low	133 Å²	133	135.5 Å²	135.5	70%	0.696	65%	0.646	S	S	*	*	H	α-helix	trans	-61.8	-24.5	179.8	-79.7	162.8	0	0	0	113.6	N170	N170-L174 WeakPolarHBondContact O-CB 3.48Å; N170-L174 WeakPolarHBondContact O-CG 3.3Å; N170-L174 PolarHBondContact O-N 3.41Å
175	R	40.7	Very low	37.3	Very low	214 Å²	214	138.2 Å²	138.2	81%	0.808	66%	0.66	S	S	*	*	H	α-helix	trans	-80.8	-16.6	-178.7	-146.3	175.3	-168.5	-169.2	2.2	114	F172 S173	F172-R175 PolarHBondContact O-N 3.06Å; S173-R175 PolarHBondContact O-N 3.39Å; S173-R175 VanDerWaalsContact O-N 3.15Å
176	N	44.5	Very low	36.8	Very low	105 Å²	105	139.4 Å²	139.4	56%	0.561	67%	0.673	S	S	*	*	H	α-helix	trans	-107.5	-18.1	175.4	-79.5	-4.9	0	0	0	114	S173 S178 K179	S173-N176 PolarHBondContact O-N 3.42Å; N176-S178 PolarHBondContact O-N 3.16Å; N176-S178 VanDerWaalsContact O-N 3.09Å; N176-K179 PolarHBondContact O-N 2.95Å
177	S	39.9	Very low	36.6	Very low	53 Å²	53	137.3 Å²	137.3	37%	0.371	68%	0.684	S	S	.	*	H	α-helix	trans	-57.5	-28.7	-174.1	-160.9	0	0	0	0	114.2	S173 K179	S173-S177 PolarHBondContact O-N 2.85Å; S173-S177 VanDerWaalsContact O-N 3.15Å; S177-K179 VanDerWaalsContact C-N 3.34Å; S177-K179 PolarHBondContact O-N 3.47Å
178	S	36.5	Very low	36.1	Very low	94 Å²	94	137.7 Å²	137.7	66%	0.657	70%	0.695	S	S	*	*	H	α-helix	trans	-74.3	-12.2	178.7	50.5	0	0	0	0	115.4	N176	N176-S178 PolarHBondContact O-N 3.16Å; N176-S178 VanDerWaalsContact O-N 3.09Å
179	K	37.1	Very low	35.4	Very low	189 Å²	189	139.9 Å²	139.9	82%	0.822	71%	0.707	S	S	*	*	H	α-helix	trans	-102.4	-10.7	173.8	-73.5	-168.6	174.1	-173.5	0	114.3	N176 S177	N176-K179 PolarHBondContact O-N 2.95Å; S177-K179 VanDerWaalsContact C-N 3.34Å; S177-K179 PolarHBondContact O-N 3.47Å
180	I	37.8	Very low	35.1	Very low	123 Å²	123	140.1 Å²	140.1	63%	0.631	72%	0.719	S	S	*	*	H	α-helix	trans	-88.7	-17.8	-175.2	-66.5	171.5	0	0	0	112.4	L182	I180-L182 PolarHBondContact O-N 3.08Å
181	R	30.6	Very low	34.4	Very low	214 Å²	214	143.2 Å²	143.2	81%	0.808	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	4.1	-178.6	-67.6	-169.1	179.5	-134.1	-0.5	115.9
182	L	30	Very low	33.8	Very low	144 Å²	144	143 Å²	143	75%	0.754	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	18.7	-169.7	-102.8	166.6	0	0	0	114.9	I180	I180-L182 PolarHBondContact O-N 3.08Å
183	F	29.2	Very low	33.1	Very low	199 Å²	199	143.7 Å²	143.7	87%	0.873	75%	0.75	S	S	*	*	S	Bend	trans	-132.3	23.3	-179.9	-129.5	-91.1	0	0	0	114.4
184	V	28.6	Very low	32.4	Very low	128 Å²	128	147.1 Å²	147.1	78%	0.776	77%	0.767	S	S	*	*			trans	-117.7	50.3	-178.8	-165.5	0	0	0	0	110.8
185	T	27.6	Very low	31.7	Very low	123 Å²	123	144.4 Å²	144.4	76%	0.755	76%	0.764	S	S	*	*			trans	-153.6	69.9	174.1	51.9	0	0	0	0	111.6
186	N	28	Very low	31	Very low	166 Å²	166	144.9 Å²	144.9	89%	0.888	77%	0.768	S	S	*	*			trans	-175	73.1	149.7	-103.6	-6.8	0	0	0	113.2
187	S	31.3	Very low	30.3	Very low	123 Å²	123	145 Å²	145	86%	0.86	77%	0.772	S	S	*	*			trans	-154.9	110.6	153.2	44.9	0	0	0	0	108.7
188	T	31.7	Very low	29.6	Very low	123 Å²	123	148.3 Å²	148.3	76%	0.755	79%	0.792	S	S	*	*			trans	-90.4	148	-179.6	47.7	0	0	0	0	111
189	Q	30.7	Very low	29.1	Very low	186 Å²	186	155.8 Å²	155.8	87%	0.869	81%	0.806	S	S	*	*			trans	71.8	136.2	176.7	-50.7	170.8	-7.9	0	0	112.6
190	S	30.9	Very low	28.6	Very low	115 Å²	115	152.8 Å²	152.8	80%	0.804	80%	0.804	S	S	*	*			cis	-137.7	156.6	13.2	-71.4	0	0	0	0	113.9
191	N	27.8	Very low	28.2	Very low	152 Å²	152	156.3 Å²	156.3	81%	0.813	82%	0.815	S	S	*	*			trans	-51.8	136.8	-176	-47.2	-42.4	0	0	0	116.4
192	L	26.3	Very low	28.1	Very low	171 Å²	171	153.8 Å²	153.8	90%	0.895	81%	0.812	S	S	*	*				-156.7	142.8	116.4	-156.1	63.2	0	0	0	111.5
193	F	23.3	Very low	28.2	Very low	184 Å²	184	155.3 Å²	155.3	81%	0.807	81%	0.812	S	S	*	*			trans	-101.5	134.8	-178.8	-96	-111.1	0	0	0	112.1
194	V	29	Very low	27.9	Very low	151 Å²	151	153.2 Å²	153.2	92%	0.915	81%	0.81	S	S	*	*			trans	-142.9	137.7	133.4	-176.5	0	0	0	0	107.5
195	A	23.4	Very low	28	Very low	76 Å²	76	153.1 Å²	153.1	63%	0.628	81%	0.809	S	S	*	*			trans	-138.1	148.6	176.9	0	0	0	0	0	110.8
196	Y	27.6	Very low	28.2	Very low	224 Å²	224	153.7 Å²	153.7	88%	0.878	80%	0.804	S	S	*	*			trans	-147.9	165.8	153.5	-136.6	-96.3	0	0	0	112.3
197	T	28.3	Very low	28.1	Very low	108 Å²	108	153.7 Å²	153.7	66%	0.663	80%	0.796	S	S	*	*			trans	-106.3	151.2	-146.2	52.1	0	0	0	0	115.8
198	P	25.4	Very low	28	Very low	122 Å²	122	155 Å²	155	79%	0.792	79%	0.793	S	S	*	*			trans	-81.4	159.4	171.5	34.9	-35.6	0	0	0	112.1
199	R	26.9	Very low	27.8	Very low	250 Å²	250	154.7 Å²	154.7	94%	0.943	79%	0.791	S	S	*	*			trans	-134.1	139.9	168.1	-130.9	177.5	-168.6	-174.7	4.2	111.6
200	T	25.7	Very low	27.9	Very low	127 Å²	127	151.3 Å²	151.3	78%	0.779	78%	0.783	S	S	*	*			trans	-105.5	-179.9	-179	54.7	0	0	0	0	111.4
201	K	29.5	Very low	27.9	Very low	196 Å²	196	152.1 Å²	152.1	85%	0.852	78%	0.778	S	S	*	*			trans	96.5	146.1	179	-64.1	-178.6	179.5	-176	0	115
202	H	30	Very low	28.1	Very low	162 Å²	162	154.3 Å²	154.3	75%	0.75	78%	0.781	S	S	*	*			cis	-160.2	-175.5	-29.1	-147.6	-130	0	0	0	109.9
203	K	30.5	Very low	28.2	Very low	176 Å²	176	150.5 Å²	150.5	77%	0.765	77%	0.769	S	S	*	*			trans	-41.1	150.2	-177.6	-60.7	175.1	178.7	-178.6	0	117.7
204	N	23.9	Very low	28.5	Very low	155 Å²	155	149 Å²	149	83%	0.829	77%	0.768	S	S	*	*			trans	-20	144.7	158.5	-37.7	-10	0	0	0	117.7
205	V	31	Very low	28.6	Very low	125 Å²	125	147.4 Å²	147.4	76%	0.758	76%	0.758	S	S	*	*			trans	-171.8	141	130.5	133.5	0	0	0	0	111
206	E	30	Very low	29	Very low	135 Å²	135	151.3 Å²	151.3	63%	0.631	76%	0.763	S	S	*	*			trans	50.3	131.1	160.9	-68.8	-178.9	112.4	0	0	121.8
207	K	25.9	Very low	28.9	Very low	166 Å²	166	144.9 Å²	144.9	72%	0.722	75%	0.751	S	S	*	*				57.8	130	105.2	-55.1	173.3	-175.8	162.3	0	113.5
208	D	30.8	Very low	28.9	Very low	151 Å²	151	146.5 Å²	146.5	81%	0.807	76%	0.761	S	S	*	*				-156.1	-173	60.6	-130.8	-39.2	0	0	0	116.2
209	T	27.4	Very low	29	Very low	116 Å²	116	144.8 Å²	144.8	71%	0.712	75%	0.752	S	S	*	*			trans	-108.3	167.7	-167.9	-39.4	0	0	0	0	112.7
210	V	33.2	Very low	29.1	Very low	116 Å²	116	139.1 Å²	139.1	70%	0.703	75%	0.746	S	S	*	*			trans	148.5	108.8	136.5	168.1	0	0	0	0	114.8
211	N	29	Very low	29.3	Very low	131 Å²	131	137.8 Å²	137.8	70%	0.701	74%	0.742	S	S	*	*			trans	31.2	130.4	136	-45.4	-22	0	0	0	123.1
212	K	33.2	Very low	29.1	Very low	198 Å²	198	133.6 Å²	133.6	86%	0.861	74%	0.737	S	S	*	*				155.9	147.8	117.3	-84.2	166	-177.8	178	0	110.6
213	S	28.2	Very low	29.2	Very low	92 Å²	92	132.7 Å²	132.7	64%	0.643	74%	0.742	S	S	*	*			cis	146.2	145.4	-24.1	57.2	0	0	0	0	108.9
214	L	28.8	Very low	29	Very low	153 Å²	153	131.8 Å²	131.8	80%	0.801	75%	0.746	S	S	*	*			trans	69.2	155.4	175.9	-108.1	63	0	0	0	114.5
215	V	32.4	Very low	29.3	Very low	116 Å²	116	133.9 Å²	133.9	70%	0.703	75%	0.748	S	S	*	*			cis	-136.5	136	10.6	-168.4	0	0	0	0	106.3
216	Q	30.7	Very low	28.9	Very low	158 Å²	158	138.9 Å²	138.9	74%	0.738	75%	0.753	S	S	*	*				48.5	154.2	80.7	-88.8	179.1	-51.2	0	0	115.9
217	S	25.6	Very low	28.7	Very low	89 Å²	89	136 Å²	136	62%	0.622	75%	0.748	S	S	*	*			cis	-178.4	127.2	-35.3	48.1	0	0	0	0	110.7
218	T	29.1	Very low	28.8	Very low	142 Å²	142	136 Å²	136	87%	0.871	75%	0.75	S	S	*	*			trans	-165.7	-178.9	170	36.9	0	0	0	0	110.6
219	S	26.4	Very low	28.8	Very low	87 Å²	87	137.4 Å²	137.4	61%	0.608	75%	0.752	S	S	*	*				-176.5	162.5	-81.6	50.8	0	0	0	0	111.1
220	T	30.1	Very low	28.7	Very low	131 Å²	131	139.3 Å²	139.3	80%	0.804	76%	0.756	S	S	*	*			trans	65	151.6	168.2	66.7	0	0	0	0	117.6
221	S	29.9	Very low	28.6	Very low	99 Å²	99	140.5 Å²	140.5	69%	0.692	75%	0.754	S	S	*	*			cis	-168	144.7	-26.4	50.6	0	0	0	0	111.4
222	S	25.9	Very low	28.5	Very low	107 Å²	107	143.2 Å²	143.2	75%	0.748	76%	0.755	S	S	*	*			trans	27.3	139.7	147.1	62.3	0	0	0	0	123.1
223	V	30.5	Very low	28.2	Very low	143 Å²	143	139.3 Å²	139.3	87%	0.867	75%	0.747	S	S	*	*				-171	151.9	114.9	139.9	0	0	0	0	111.3
224	N	26.4	Very low	28.2	Very low	157 Å²	157	144.7 Å²	144.7	84%	0.84	75%	0.754	S	S	*	*			trans	-116.4	142	-177.5	-118.3	-14.8	0	0	0	111.7
225	K	29.9	Very low	28	Very low	200 Å²	200	142.2 Å²	142.2	87%	0.87	75%	0.75	S	S	*	*			trans	173.6	126.7	160.5	-98.9	161.6	-177	-174.6	0	106.3
226	R	23.9	Very low	27.9	Very low	230 Å²	230	144.1 Å²	144.1	87%	0.868	75%	0.751	S	S	*	*			cis	78.4	117.9	24.3	-165.7	171.2	-176.1	170	6	115.9
227	S	25.6	Very low	27.7	Very low	75 Å²	75	143.6 Å²	143.6	52%	0.524	75%	0.753	S	S	.	*			trans	84.7	129.6	152.8	-84.5	0	0	0	0	122.4
228	E	28.7	Very low	27.8	Very low	166 Å²	166	144.3 Å²	144.3	78%	0.776	76%	0.759	S	S	*	*			trans	85.3	158.3	133.4	-74.4	145.6	-126.6	0	0	123.3
229	Q	29.2	Very low	27.7	Very low	180 Å²	180	148.3 Å²	148.3	84%	0.841	76%	0.758	S	S	*	*			trans	71.3	113.4	-178.9	-59.5	177.2	-14.9	0	0	115.1
230	I	26.7	Very low	27.9	Very low	155 Å²	155	153.4 Å²	153.4	80%	0.795	77%	0.772	S	S	*	*			cis	79.9	143.6	29.8	-47	173.5	0	0	0	113
231	E	29.7	Very low	27.7	Very low	142 Å²	142	156.2 Å²	156.2	66%	0.664	78%	0.775	S	S	*	*			trans	85.1	146	177.4	-49.5	-155.7	115.7	0	0	116.7
232	R	27.7	Very low	27.6	Very low	188 Å²	188	155.9 Å²	155.9	71%	0.709	78%	0.779	S	S	*	*			cis	-162.2	136	-14.6	-117.3	-170.3	-84.8	132.8	0.6	111.6
233	V	27.8	Very low	27.7	Very low	115 Å²	115	159.5 Å²	159.5	70%	0.697	78%	0.784	S	S	*	*			trans	64.4	164.8	137.2	178.9	0	0	0	0	120.1
234	Y	26.4	Very low	27.4	Very low	205 Å²	205	162.8 Å²	162.8	80%	0.804	79%	0.787	S	S	*	*			trans	74.7	107.2	-173.5	-65	-79.6	0	0	0	114.9
235	S	26.3	Very low	27.4	Very low	101 Å²	101	161.9 Å²	161.9	71%	0.706	78%	0.781	S	S	*	*			cis	88.2	145.1	30.7	-157.2	0	0	0	0	115.2
236	E	29.7	Very low	27.2	Very low	157 Å²	157	160.9 Å²	160.9	73%	0.734	78%	0.779	S	S	*	*			trans	69.8	99.8	168.9	-73	170.2	132.9	0	0	120.7
237	N	25.6	Very low	27.3	Very low	146 Å²	146	158.2 Å²	158.2	78%	0.781	78%	0.779	S	S	*	*				42.1	115.6	115.7	-66.8	-32.6	0	0	0	119.5
238	S	28.5	Very low	27.3	Very low	105 Å²	105	159.9 Å²	159.9	73%	0.734	79%	0.785	S	S	*	*				162.5	123.9	109.8	-76.7	0	0	0	0	115.5
239	R	26.6	Very low	27.3	Very low	225 Å²	225	157.7 Å²	157.7	85%	0.849	79%	0.786	S	S	*	*			trans	40.9	101.7	136.6	-59.4	174.1	174.3	171.4	-2	120
240	Q	30.2	Very low	27.3	Very low	195 Å²	195	156.1 Å²	156.1	91%	0.911	78%	0.781	S	S	*	*			trans	-168	93.6	135.2	-105.1	160	51.8	0	0	108.6
241	H	26.6	Very low	27.5	Very low	189 Å²	189	154.2 Å²	154.2	88%	0.875	78%	0.779	S	S	*	*				49.1	85.4	80.4	-92	91.7	0	0	0	115.7
242	A	28.5	Very low	27.5	Very low	93 Å²	93	154.8 Å²	154.8	77%	0.769	78%	0.784	S	S	*	*			trans	-158.1	86.8	157.4	0	0	0	0	0	113.3
243	Q	26.5	Very low	27.4	Very low	182 Å²	182	155.5 Å²	155.5	85%	0.85	79%	0.792	S	S	*	*			trans	38.1	107.1	145.8	-58.8	176.5	-0.2	0	0	120.4
244	F	25.6	Very low	27.5	Very low	213 Å²	213	158.2 Å²	158.2	93%	0.934	80%	0.797	S	S	*	*			trans	-121.9	125.5	141.6	-100.1	-86.8	0	0	0	109.3	Q246	F244-Q246 PolarHBondContact O-N 3.4Å
245	I	26.2	Very low	27.5	Very low	138 Å²	138	159.2 Å²	159.2	71%	0.708	80%	0.799	S	S	*	*			trans	-84.5	106.6	-174.3	-61.2	174.2	0	0	0	110.1	M247	I245-M247 HydrophobicContact CG2-CG 4.22Å; I245-M247 PolarHBondContact O-N 3.13Å
246	Q	24.9	Very low	27.8	Very low	179 Å²	179	160.8 Å²	160.8	84%	0.836	81%	0.805	S	S	*	*			trans	-74.6	109.3	163.3	-81.3	-172.4	-16.3	0	0	110.1	F244 V248	F244-Q246 PolarHBondContact O-N 3.4Å; Q246-V248 PolarHBondContact O-N 3.43Å; Q246-V248 VanDerWaalsContact O-N 3.16Å
247	M	25.6	Very low	27.8	Very low	174 Å²	174	158.8 Å²	158.8	86%	0.857	80%	0.804	S	S	*	*			trans	-79	95.4	171.6	-70.7	-168.4	179.9	0	0	111.1	I245	I245-M247 HydrophobicContact CG2-CG 4.22Å; I245-M247 PolarHBondContact O-N 3.13Å
248	V	26.6	Very low	27.8	Very low	109 Å²	109	161.8 Å²	161.8	66%	0.661	81%	0.81	S	S	*	*			trans	-69.6	129.2	168	-179.8	0	0	0	0	109.5	Q246 I250	Q246-V248 PolarHBondContact O-N 3.43Å; Q246-V248 VanDerWaalsContact O-N 3.16Å; V248-I250 PolarHBondContact O-N 2.96Å
249	P	29.3	Very low	27.8	Very low	121 Å²	121	161.3 Å²	161.3	79%	0.786	81%	0.807	S	S	*	*			trans	-75.7	90.6	178.2	30.1	-34.3	0	0	0	111.3	P251	P249-P251 WeakPolarHBondContact O-CD 3.36Å
250	I	28.2	Very low	27.8	Very low	146 Å²	146	157.2 Å²	157.2	75%	0.749	80%	0.801	S	S	*	*			trans	-62.8	122.2	175.3	-59.8	173.2	0	0	0	109.9	V248 M252	V248-I250 PolarHBondContact O-N 2.96Å; I250-M252 PolarHBondContact O-N 3.13Å; I250-M252 VanDerWaalsContact O-N 3.11Å
251	P	31.5	Very low	27.7	Very low	115 Å²	115	154.2 Å²	154.2	75%	0.747	80%	0.799	S	S	*	*			trans	-75	99.9	171	30.6	-32	0	0	0	109.4	P249 F253	P249-P251 WeakPolarHBondContact O-CD 3.36Å; P251-F253 PolarHBondContact O-N 2.92Å
252	M	29.2	Very low	27.8	Very low	154 Å²	154	150.1 Å²	150.1	76%	0.759	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-66.7	122.2	179	-161.1	178.9	-60.4	0	0	110.4	I250 H254	I250-M252 PolarHBondContact O-N 3.13Å; I250-M252 VanDerWaalsContact O-N 3.11Å; M252-H254 PolarHBondContact O-N 2.79Å
253	F	26.7	Very low	27.9	Very low	204 Å²	204	153.6 Å²	153.6	90%	0.895	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-57	128.5	178	-99.2	-104.7	0	0	0	111.1	P251	P251-F253 PolarHBondContact O-N 2.92Å
254	H	29.9	Very low	27.8	Very low	172 Å²	172	153 Å²	153	80%	0.796	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-92.7	121.5	168.9	-137.5	-75.7	0	0	0	109.5	M252 T256	M252-H254 PolarHBondContact O-N 2.79Å; H254-T256 PolarHBondContact O-N 3.45Å
255	R	25.7	Very low	28.1	Very low	226 Å²	226	148.1 Å²	148.1	85%	0.853	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-66.4	124.8	175.6	174.8	-172.8	-81.5	173.7	-8.3	109.9
256	T	31.7	Very low	28.2	Very low	134 Å²	134	145.9 Å²	145.9	82%	0.822	79%	0.787	S	S	*	*			trans	-135	144.2	161.5	47	0	0	0	0	108.9	H254	H254-T256 PolarHBondContact O-N 3.45Å
257	T	29.5	Very low	28.4	Very low	115 Å²	115	146.6 Å²	146.6	71%	0.706	79%	0.788	S	S	*	*			trans	-110.8	144	-165.4	47.5	0	0	0	0	112.8
258	K	25.8	Very low	28.5	Very low	208 Å²	208	144 Å²	144	90%	0.904	78%	0.784	S	S	*	*			trans	50.7	118.7	164.5	-62.5	-176.9	174.4	-174.3	0	115.6
259	S	28.2	Very low	28.8	Very low	96 Å²	96	147.3 Å²	147.3	67%	0.671	80%	0.796	S	S	*	*				-161.3	176.3	66.4	62.7	0	0	0	0	114.1
260	D	28	Very low	28.9	Very low	138 Å²	138	149.6 Å²	149.6	74%	0.738	80%	0.796	S	S	*	*			trans	60	107.2	154.4	-45	-37.7	0	0	0	120.6
261	P	27.1	Very low	28.8	Very low	133 Å²	133	147.5 Å²	147.5	86%	0.864	79%	0.794	S	S	*	*			trans	-108.7	92.7	172.3	37	-26.3	0	0	0	113
262	S	28.6	Very low	28.9	Very low	103 Å²	103	148.7 Å²	148.7	72%	0.72	79%	0.794	S	S	*	*			trans	-154.5	102	166.1	59.6	0	0	0	0	112.3
263	D	30.2	Very low	29	Very low	166 Å²	166	148.8 Å²	148.8	89%	0.888	80%	0.796	S	S	*	*				-177.9	131.4	125.5	-92.8	-18.1	0	0	0	110.3
264	I	26	Very low	29.1	Very low	168 Å²	168	146.5 Å²	146.5	86%	0.862	79%	0.788	S	S	*	*			trans	-122.2	119.1	-175.7	-64.6	174.5	0	0	0	109.7
265	S	31.5	Very low	29	Very low	112 Å²	112	144.4 Å²	144.4	78%	0.783	78%	0.783	S	S	*	*			trans	-178.2	147.7	149.2	39.4	0	0	0	0	110.7
266	S	28.4	Very low	29.3	Very low	90 Å²	90	139.9 Å²	139.9	63%	0.629	78%	0.78	S	S	*	*			cis	-165.7	-177.9	-22.4	51.9	0	0	0	0	109
267	F	28.3	Very low	29	Very low	195 Å²	195	142.3 Å²	142.3	86%	0.855	78%	0.783	S	S	*	*			trans	94.7	96.4	174.3	-60.9	-69.4	0	0	0	118.6
268	P	28.6	Very low	29	Very low	119 Å²	119	144.5 Å²	144.5	77%	0.773	79%	0.788	S	S	*	*			trans	-99.9	158.9	166.3	38.5	-31.9	0	0	0	112.9
269	I	32	Very low	29.1	Very low	178 Å²	178	142.9 Å²	142.9	91%	0.913	78%	0.784	S	S	*	*			trans	-133.7	149.1	156.9	-66.5	-173.5	0	0	0	108.9
270	H	31.4	Very low	29.2	Very low	169 Å²	169	144.8 Å²	144.8	78%	0.782	79%	0.792	S	S	*	*			trans	-66.8	153.4	-161.2	-119.5	-95.9	0	0	0	117.2
271	S	26.3	Very low	29.1	Very low	103 Å²	103	142.6 Å²	142.6	72%	0.72	79%	0.787	S	S	*	*			trans	-90.3	153.1	154.1	51.8	0	0	0	0	111.5
272	N	33.9	Very low	29.2	Very low	139 Å²	139	144.7 Å²	144.7	74%	0.743	79%	0.785	S	S	*	*			trans	-173.1	148.1	161.3	-87.6	-21.1	0	0	0	106.3
273	I	31.9	Very low	29.4	Very low	156 Å²	156	147 Å²	147	80%	0.8	80%	0.795	S	S	*	*			cis	-147.8	169.5	-9.9	-109.5	159.6	0	0	0	107.3
274	E	27.5	Very low	29.2	Very low	157 Å²	157	142.9 Å²	142.9	73%	0.734	78%	0.784	S	S	*	*			trans	-108.1	161.3	-166.1	-158.5	-172.3	-123.7	0	0	113.6
275	N	28.4	Very low	29.6	Very low	127 Å²	127	142 Å²	142	68%	0.679	78%	0.782	S	S	*	*			trans	72.9	155.9	168.8	-48.5	-60.2	0	0	0	116.4
276	T	31.4	Very low	29.6	Very low	131 Å²	131	142.4 Å²	142.4	80%	0.804	78%	0.779	S	S	*	*			cis	-147.5	152.6	15.9	-42.9	0	0	0	0	112.1
277	E	25.1	Very low	29.9	Very low	185 Å²	185	145.8 Å²	145.8	86%	0.864	79%	0.789	S	S	*	*			trans	-88.8	139.3	170	-56.2	176.7	123.3	0	0	112.8
278	I	31.5	Very low	30.3	Very low	162 Å²	162	142.8 Å²	142.8	83%	0.831	78%	0.781	S	S	*	*			trans	-144.9	147.2	152.6	-56.3	-174.2	0	0	0	109.9
279	H	27.3	Very low	30.4	Very low	173 Å²	173	145.7 Å²	145.7	80%	0.801	78%	0.782	S	S	*	*			trans	-64.8	178.2	172.3	-65.4	-104.5	0	0	0	112.4
280	T	30.2	Very low	30.5	Very low	137 Å²	137	143.4 Å²	143.4	84%	0.84	78%	0.776	S	S	*	*			cis	-163.7	171.3	33.6	-34.8	0	0	0	0	112.3
281	S	26.2	Very low	31	Very low	92 Å²	92	140.1 Å²	140.1	64%	0.643	77%	0.768	S	S	*	*			trans	-67	150.5	179	-85.4	0	0	0	0	116.8
282	Q	27.9	Very low	31.6	Very low	177 Å²	177	139.7 Å²	139.7	83%	0.827	76%	0.757	S	S	*	*			trans	49.2	116.6	134.2	-59.9	166.7	-43.8	0	0	120.4
283	T	32.7	Very low	32	Very low	151 Å²	151	136.3 Å²	136.3	93%	0.926	75%	0.749	S	S	*	*				-145.8	151.3	121.2	16.1	0	0	0	0	109.4
284	A	27.5	Very low	32.6	Very low	80 Å²	80	132.1 Å²	132.1	66%	0.661	73%	0.734	S	S	*	*			trans	-103	150.3	167.8	0	0	0	0	0	109
285	D	33.2	Very low	33.5	Very low	150 Å²	150	130.5 Å²	130.5	80%	0.802	73%	0.727	S	S	*	*				-178.6	143	110.4	-91.8	-18.8	0	0	0	113.6
286	T	31.7	Very low	34.3	Very low	120 Å²	120	128 Å²	128	74%	0.736	71%	0.714	S	S	*	*			trans	40.3	114.1	144.1	-45.6	0	0	0	0	120.9
287	I	36	Very low	35.3	Very low	161 Å²	161	125.7 Å²	125.7	83%	0.826	70%	0.697	S	S	*	*				-170.5	159.1	120.6	-94.6	154.2	0	0	0	109.4
288	D	35.5	Very low	36.7	Very low	131 Å²	131	124.7 Å²	124.7	70%	0.701	69%	0.685	S	S	*	*			trans	-42.1	143	-169.4	-63	-52.6	0	0	0	117.2
289	K	30.2	Very low	37.7	Very low	181 Å²	181	121.3 Å²	121.3	79%	0.787	67%	0.668	S	S	*	*			cis	60.5	69.9	44.1	-68.9	-170.5	175.7	176.7	0	115.3
290	T	35.8	Very low	38.9	Very low	130 Å²	130	117.5 Å²	117.5	80%	0.798	65%	0.65	S	S	*	*	S	Bend	trans	-159.2	-0.9	159.5	-3.5	0	0	0	0	116.9
291	V	41.2	Very low	40.4	Very low	99 Å²	99	115 Å²	115	60%	0.6	63%	0.631	S	S	*	*	S	Bend	trans	-126	-3.9	-167.2	-167.1	0	0	0	0	113.5	A293	V291-A293 VanDerWaalsContact C-N 3.29Å; V291-A293 PolarHBondContact O-N 3.23Å
292	D	37.8	Very low	42.1	Very low	94 Å²	94	116.3 Å²	116.3	50%	0.503	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.8	17.9	-152.1	-51.2	-73.8	0	0	0	116.6	N296	D292-N296 PolarHBondContact O-ND2 3.44Å
293	A	43.3	Very low	43.3	Very low	69 Å²	69	113.6 Å²	113.6	57%	0.57	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-73.6	173.7	0	0	0	0	0	111.9	V291 M295 N296 D297	V291-A293 VanDerWaalsContact C-N 3.29Å; V291-A293 PolarHBondContact O-N 3.23Å; A293-M295 PolarHBondContact O-N 2.75Å; A293-M295 VanDerWaalsContact O-N 3.09Å; A293-N296 PolarHBondContact O-N 3.32Å; A293-D297 PolarHBondContact O-N 3.46Å
294	S	45.1	Very low	44.3	Very low	68 Å²	68	113.8 Å²	113.8	48%	0.476	60%	0.598	S	S	.	*	H	α-helix	trans	-69.5	-11.6	-170.9	84.2	0	0	0	0	115.3	R298	S294-R298 PolarHBondContact O-NE 3.19Å; S294-R298 PolarHBondContact O-NH2 2.81Å; S294-R298 PolarHBondContact OG-NH2 2.86Å
295	M	46.5	Very low	46.1	Very low	122 Å²	122	117 Å²	117	60%	0.601	60%	0.599	S	S	*	*	H	α-helix	trans	-87.5	-34.9	171.8	-164.5	161.9	73.2	0	0	111.7	A293 L299	A293-M295 PolarHBondContact O-N 2.75Å; A293-M295 VanDerWaalsContact O-N 3.09Å; M295-L299 WeakPolarHBondContact O-CB 3.19Å; M295-L299 PolarHBondContact O-N 3.09Å
296	N	45.3	Very low	47.3	Very low	75 Å²	75	113.8 Å²	113.8	40%	0.401	58%	0.582	S	S	.	*	H	α-helix	trans	-66.5	-41.1	175	-98.8	-51.4	0	0	0	112.2	D292 A293 L299 K300	D292-N296 PolarHBondContact O-ND2 3.44Å; A293-N296 PolarHBondContact O-N 3.32Å; N296-L299 PolarHBondContact O-N 2.97Å; N296-K300 VanDerWaalsContact O-CG 3.31Å; N296-K300 WeakPolarHBondContact O-CG 3.45Å; N296-K300 PolarHBondContact O-N 3.26Å
297	D	51.9	Low	48.5	Very low	83 Å²	83	114.1 Å²	114.1	44%	0.444	58%	0.575	S	S	.	*	H	α-helix	trans	-70.4	-38.6	179.1	-67.7	-25.1	0	0	0	112	A293 L299 K300 D301	A293-D297 PolarHBondContact O-N 3.46Å; D297-L299 VanDerWaalsContact C-N 3.31Å; D297-L299 PolarHBondContact O-N 2.98Å; D297-K300 PolarHBondContact O-N 2.93Å; D297-K300 IonicContact OD1-NZ 2.83Å; D297-K300 PolarHBondContact OD1-NZ 2.83Å; D297-D301 PolarHBondContact O-N 3.2Å
298	R	54.8	Low	49.9	Very low	163 Å²	163	113.5 Å²	113.5	62%	0.615	57%	0.569	S	S	*	*	H	α-helix	trans	-61.5	-36.9	170.9	-84.1	-179.9	-84.8	-158	-5	113.1	S294 Q302	S294-R298 PolarHBondContact O-NE 3.19Å; S294-R298 PolarHBondContact O-NH2 2.81Å; S294-R298 PolarHBondContact OG-NH2 2.86Å; R298-Q302 WeakPolarHBondContact O-CG 3.47Å; R298-Q302 PolarHBondContact O-N 3.41Å; R298-Q302 VanDerWaalsContact O-N 3.08Å
299	L	52.1	Low	51.3	Low	91 Å²	91	115 Å²	115	48%	0.476	56%	0.564	S	S	.	*	H	α-helix	trans	-69	-38.1	175.1	-156.8	76.6	0	0	0	112	M295 N296 D297 Q303	M295-L299 WeakPolarHBondContact O-CB 3.19Å; M295-L299 PolarHBondContact O-N 3.09Å; N296-L299 PolarHBondContact O-N 2.97Å; D297-L299 VanDerWaalsContact C-N 3.31Å; D297-L299 PolarHBondContact O-N 2.98Å; L299-Q303 WeakPolarHBondContact O-CG 3.43Å; L299-Q303 PolarHBondContact O-N 3.43Å
300	K	51.8	Low	52.7	Low	94 Å²	94	110.6 Å²	110.6	41%	0.409	55%	0.549	S	S	.	.	H	α-helix	trans	-66.8	-39.6	174.2	-70.8	169.8	-158.4	156	0	112.5	N296 D297 Q303 R304	N296-K300 VanDerWaalsContact O-CG 3.31Å; N296-K300 WeakPolarHBondContact O-CG 3.45Å; N296-K300 PolarHBondContact O-N 3.26Å; D297-K300 PolarHBondContact O-N 2.93Å; D297-K300 IonicContact OD1-NZ 2.83Å; D297-K300 PolarHBondContact OD1-NZ 2.83Å; K300-Q303 PolarHBondContact O-N 3.45Å; K300-R304 WeakPolarHBondContact O-CG 3.45Å; K300-R304 PolarHBondContact O-N 2.89Å
301	D	62.6	Low	53.9	Low	83 Å²	83	109 Å²	109	44%	0.444	54%	0.535	S	S	.	.	H	α-helix	trans	-68.8	-39.2	178.4	-72.7	-27	0	0	0	111	D297 Q303 R304 E305	D297-D301 PolarHBondContact O-N 3.2Å; D301-Q303 PolarHBondContact O-N 3.16Å; D301-R304 PolarHBondContact O-N 2.87Å; D301-R304 IonicContact OD1-NH1 3.3Å; D301-R304 PolarHBondContact OD1-NH1 3.25Å; D301-E305 PolarHBondContact O-N 2.85Å
302	Q	60.3	Low	54.8	Low	121 Å²	121	106.1 Å²	106.1	57%	0.565	52%	0.52	S	S	*	.	H	α-helix	trans	-60.6	-43.1	168.9	-74.3	-175.8	-38.5	0	0	112.4	R298 R304 E305 D306	R298-Q302 WeakPolarHBondContact O-CG 3.47Å; R298-Q302 PolarHBondContact O-N 3.41Å; R298-Q302 VanDerWaalsContact O-N 3.08Å; Q302-R304 VanDerWaalsContact C-N 3.32Å; Q302-R304 PolarHBondContact O-N 2.94Å; Q302-E305 PolarHBondContact O-N 2.76Å; Q302-D306 PolarHBondContact O-N 3.03Å
303	Q	53.1	Low	55.6	Low	120 Å²	120	106.6 Å²	106.6	56%	0.561	52%	0.519	S	S	*	.	H	α-helix	trans	-62.4	-36.7	174.6	-76.8	178.5	-16.5	0	0	112.7	L299 K300 D301 E307	L299-Q303 WeakPolarHBondContact O-CG 3.43Å; L299-Q303 PolarHBondContact O-N 3.43Å; K300-Q303 PolarHBondContact O-N 3.45Å; D301-Q303 PolarHBondContact O-N 3.16Å; Q303-E307 WeakPolarHBondContact O-CB 3.37Å; Q303-E307 PolarHBondContact O-N 3.48Å
304	R	54.6	Low	56	Low	154 Å²	154	107 Å²	107	58%	0.581	51%	0.511	S	S	*	.	H	α-helix	trans	-69.1	-39.6	174.3	-74.4	170.6	178	174.8	-3.2	112.6	K300 D301 Q302 E307 H308	K300-R304 WeakPolarHBondContact O-CG 3.45Å; K300-R304 PolarHBondContact O-N 2.89Å; D301-R304 PolarHBondContact O-N 2.87Å; D301-R304 IonicContact OD1-NH1 3.3Å; D301-R304 PolarHBondContact OD1-NH1 3.25Å; Q302-R304 VanDerWaalsContact C-N 3.32Å; Q302-R304 PolarHBondContact O-N 2.94Å; R304-E307 PolarHBondContact O-N 3.35Å; R304-H308 WeakPolarHBondContact O-CB 3.17Å; R304-H308 PolarHBondContact O-N 3.17Å
305	E	64.6	Low	56.2	Low	147 Å²	147	110.7 Å²	110.7	69%	0.687	52%	0.519	S	S	*	.	H	α-helix	trans	-62.3	-46	174	-75	-160.1	129.9	0	0	110.8	D301 Q302 H308 R309	D301-E305 PolarHBondContact O-N 2.85Å; Q302-E305 PolarHBondContact O-N 2.76Å; E305-H308 PolarHBondContact O-N 2.92Å; E305-R309 VanDerWaalsContact O-CB 3.28Å; E305-R309 WeakPolarHBondContact O-CB 3.37Å; E305-R309 PolarHBondContact O-N 2.96Å
306	D	59.7	Low	56.2	Low	84 Å²	84	112.8 Å²	112.8	45%	0.449	52%	0.52	S	S	.	.	H	α-helix	trans	-67.9	-38	176.7	-85.9	-28.9	0	0	0	112.6	Q302 H308 R309 I310	Q302-D306 PolarHBondContact O-N 3.03Å; D306-H308 PolarHBondContact O-N 2.89Å; D306-R309 PolarHBondContact O-N 3.46Å; D306-I310 VanDerWaalsContact O-CB 3.29Å; D306-I310 WeakPolarHBondContact O-CB 3.37Å; D306-I310 WeakPolarHBondContact O-CG1 3.35Å; D306-I310 PolarHBondContact O-N 3.29Å
307	E	56.2	Low	56.4	Low	126 Å²	126	114.2 Å²	114.2	59%	0.589	53%	0.526	S	S	*	.	H	α-helix	trans	-61	-42.3	169.8	-85.1	-156.8	118.5	0	0	112.2	Q303 R304 R309 N311	Q303-E307 WeakPolarHBondContact O-CB 3.37Å; Q303-E307 PolarHBondContact O-N 3.48Å; R304-E307 PolarHBondContact O-N 3.35Å; E307-R309 VanDerWaalsContact C-N 3.32Å; E307-N311 VanDerWaalsContact O-CB 3.23Å; E307-N311 WeakPolarHBondContact O-CB 3.43Å; E307-N311 PolarHBondContact O-N 3.04Å; E307-N311 PolarHBondContact O-ND2 3.11Å
308	H	64.8	Low	56.4	Low	148 Å²	148	114 Å²	114	69%	0.685	53%	0.528	S	S	*	.	H	α-helix	trans	-65	-37.4	174.1	-99.6	-88.9	0	0	0	111.8	R304 E305 D306 S312	R304-H308 WeakPolarHBondContact O-CB 3.17Å; R304-H308 PolarHBondContact O-N 3.17Å; E305-H308 PolarHBondContact O-N 2.92Å; D306-H308 PolarHBondContact O-N 2.89Å; H308-S312 VanDerWaalsContact O-CB 3.3Å; H308-S312 WeakPolarHBondContact O-CB 3.18Å; H308-S312 PolarHBondContact O-N 3.16Å
309	R	65.7	Low	56	Low	162 Å²	162	111.7 Å²	111.7	61%	0.611	53%	0.528	S	S	*	.	H	α-helix	trans	-67.9	-48.7	179	-155.6	174.4	-164.5	-175.2	5.5	110.7	E305 D306 E307 S312 Q313	E305-R309 VanDerWaalsContact O-CB 3.28Å; E305-R309 WeakPolarHBondContact O-CB 3.37Å; E305-R309 PolarHBondContact O-N 2.96Å; D306-R309 PolarHBondContact O-N 3.46Å; E307-R309 VanDerWaalsContact C-N 3.32Å; R309-S312 PolarHBondContact O-N 3.47Å; R309-S312 PolarHBondContact O-OG 3.08Å; R309-Q313 WeakPolarHBondContact O-CG 3.23Å; R309-Q313 PolarHBondContact O-N 2.99Å
310	I	60.2	Low	55.5	Low	89 Å²	89	111.3 Å²	111.3	46%	0.456	53%	0.533	S	S	.	.	H	α-helix	trans	-61.1	-44.2	174.3	-69.8	165.8	0	0	0	110.4	D306 S312 Q313 N314	D306-I310 VanDerWaalsContact O-CB 3.29Å; D306-I310 WeakPolarHBondContact O-CB 3.37Å; D306-I310 WeakPolarHBondContact O-CG1 3.35Å; D306-I310 PolarHBondContact O-N 3.29Å; I310-S312 PolarHBondContact O-N 3.46Å; I310-Q313 PolarHBondContact O-N 3.31Å; I310-N314 WeakPolarHBondContact CG2-ND2 3.3Å; I310-N314 WeakPolarHBondContact O-CB 3.48Å; I310-N314 PolarHBondContact O-N 2.9Å; I310-N314 PolarHBondContact O-ND2 3.01Å
311	N	60.4	Low	55	Low	96 Å²	96	113.5 Å²	113.5	51%	0.513	54%	0.542	S	S	.	.	H	α-helix	trans	-66.4	-35.2	174.7	-80.4	-50.4	0	0	0	112.6	E307 Q313 K315	E307-N311 VanDerWaalsContact O-CB 3.23Å; E307-N311 WeakPolarHBondContact O-CB 3.43Å; E307-N311 PolarHBondContact O-N 3.04Å; E307-N311 PolarHBondContact O-ND2 3.11Å; N311-Q313 VanDerWaalsContact C-N 3.32Å; N311-Q313 PolarHBondContact O-N 2.93Å; N311-K315 WeakPolarHBondContact O-CB 3.39Å; N311-K315 PolarHBondContact O-N 3.37Å
312	S	60.3	Low	53.8	Low	39 Å²	39	113.6 Å²	113.6	27%	0.273	55%	0.548	S	S	.	.	H	α-helix	trans	-68.5	-30.2	173.5	87.6	0	0	0	0	112.9	H308 R309 I310 R316	H308-S312 VanDerWaalsContact O-CB 3.3Å; H308-S312 WeakPolarHBondContact O-CB 3.18Å; H308-S312 PolarHBondContact O-N 3.16Å; R309-S312 PolarHBondContact O-N 3.47Å; R309-S312 PolarHBondContact O-OG 3.08Å; I310-S312 PolarHBondContact O-N 3.46Å; S312-R316 WeakPolarHBondContact O-CB 3.32Å; S312-R316 VanDerWaalsContact O-CG 3.32Å; S312-R316 WeakPolarHBondContact O-CG 3.28Å; S312-R316 PolarHBondContact O-N 2.99Å; S312-R316 PolarHBondContact O-NE 2.96Å; S312-R316 PolarHBondContact OG-NH2 2.98Å
313	Q	55.1	Low	52.8	Low	105 Å²	105	115.9 Å²	115.9	49%	0.491	56%	0.555	S	S	.	*	H	α-helix	trans	-76.9	-48.2	174.2	-75.7	178.7	-17.3	0	0	110.4	R309 I310 N311 K315 R316 I317	R309-Q313 WeakPolarHBondContact O-CG 3.23Å; R309-Q313 PolarHBondContact O-N 2.99Å; I310-Q313 PolarHBondContact O-N 3.31Å; N311-Q313 VanDerWaalsContact C-N 3.32Å; N311-Q313 PolarHBondContact O-N 2.93Å; Q313-K315 VanDerWaalsContact C-N 3.32Å; Q313-K315 PolarHBondContact O-N 2.96Å; Q313-R316 CarbonylContact O-C 3.57Å; Q313-R316 WeakPolarHBondContact O-CA 3.33Å; Q313-R316 PolarHBondContact O-N 3.29Å; Q313-R316 VanDerWaalsContact O-N 3.13Å; Q313-I317 WeakPolarHBondContact O-CB 3.34Å; Q313-I317 WeakPolarHBondContact O-CD1 3.41Å; Q313-I317 VanDerWaalsContact O-CG1 3.23Å; Q313-I317 WeakPolarHBondContact O-CG1 3.41Å; Q313-I317 PolarHBondContact O-N 3.31Å
314	N	51.8	Low	52.3	Low	77 Å²	77	116.9 Å²	116.9	41%	0.412	56%	0.56	S	S	.	*	H	α-helix	trans	-58.1	-42.2	174.8	-78.8	-27.7	0	0	0	111.9	I310 I317 V318	I310-N314 WeakPolarHBondContact CG2-ND2 3.3Å; I310-N314 WeakPolarHBondContact O-CB 3.48Å; I310-N314 PolarHBondContact O-N 2.9Å; I310-N314 PolarHBondContact O-ND2 3.01Å; N314-I317 PolarHBondContact O-N 3.22Å; N314-V318 WeakPolarHBondContact O-CB 3.18Å; N314-V318 VanDerWaalsContact O-CG2 3.29Å; N314-V318 WeakPolarHBondContact O-CG2 3.39Å; N314-V318 PolarHBondContact O-N 3.42Å
315	K	49	Very low	51.7	Low	145 Å²	145	112.6 Å²	112.6	63%	0.63	55%	0.553	S	S	*	*	H	α-helix	trans	-62.4	-47.6	173.7	-168.1	169.7	-175.9	-179.2	0	111.1	N311 Q313 I317 V318 D319	N311-K315 WeakPolarHBondContact O-CB 3.39Å; N311-K315 PolarHBondContact O-N 3.37Å; Q313-K315 VanDerWaalsContact C-N 3.32Å; Q313-K315 PolarHBondContact O-N 2.96Å; K315-I317 VanDerWaalsContact C-N 3.29Å; K315-I317 PolarHBondContact O-N 3.39Å; K315-V318 PolarHBondContact O-N 3.46Å; K315-V318 VanDerWaalsContact O-N 3.17Å; K315-D319 WeakPolarHBondContact CG-OD2 3.41Å; K315-D319 WeakPolarHBondContact O-CB 3.31Å; K315-D319 PolarHBondContact O-N 2.96Å
316	R	45.9	Very low	50.9	Low	167 Å²	167	114.9 Å²	114.9	63%	0.63	56%	0.556	S	S	*	*	H	α-helix	trans	-60.1	-32.9	172.6	-79.3	-179.7	-87.5	-159.4	-4.2	113.5	S312 Q313 S320	S312-R316 WeakPolarHBondContact O-CB 3.32Å; S312-R316 VanDerWaalsContact O-CG 3.32Å; S312-R316 WeakPolarHBondContact O-CG 3.28Å; S312-R316 PolarHBondContact O-N 2.99Å; S312-R316 PolarHBondContact O-NE 2.96Å; S312-R316 PolarHBondContact OG-NH2 2.98Å; Q313-R316 CarbonylContact O-C 3.57Å; Q313-R316 WeakPolarHBondContact O-CA 3.33Å; Q313-R316 PolarHBondContact O-N 3.29Å; Q313-R316 VanDerWaalsContact O-N 3.13Å; R316-S320 WeakPolarHBondContact O-CB 3.4Å; R316-S320 PolarHBondContact O-N 3.24Å; R316-S320 PolarHBondContact O-OG 3.35Å
317	I	49.8	Very low	50.4	Low	104 Å²	104	114.3 Å²	114.3	53%	0.533	56%	0.555	S	S	.	*	H	α-helix	trans	-76.2	-33.2	176	-70	161.9	0	0	0	111.9	Q313 N314 K315	Q313-I317 WeakPolarHBondContact O-CB 3.34Å; Q313-I317 WeakPolarHBondContact O-CD1 3.41Å; Q313-I317 VanDerWaalsContact O-CG1 3.23Å; Q313-I317 WeakPolarHBondContact O-CG1 3.41Å; Q313-I317 PolarHBondContact O-N 3.31Å; N314-I317 PolarHBondContact O-N 3.22Å; K315-I317 VanDerWaalsContact C-N 3.29Å; K315-I317 PolarHBondContact O-N 3.39Å
318	V	51.6	Low	50.1	Low	78 Å²	78	113.5 Å²	113.5	47%	0.473	55%	0.551	S	S	.	*	H	α-helix	trans	-71.6	-43.9	174.2	166.8	0	0	0	0	111	N314 K315 K321	N314-V318 WeakPolarHBondContact O-CB 3.18Å; N314-V318 VanDerWaalsContact O-CG2 3.29Å; N314-V318 WeakPolarHBondContact O-CG2 3.39Å; N314-V318 PolarHBondContact O-N 3.42Å; K315-V318 PolarHBondContact O-N 3.46Å; K315-V318 VanDerWaalsContact O-N 3.17Å; V318-K321 WeakPolarHBondContact O-CB 3.37Å; V318-K321 WeakPolarHBondContact O-CD 3.33Å; V318-K321 WeakPolarHBondContact O-CG 3.28Å; V318-K321 PolarHBondContact O-N 3.16Å
319	D	46.3	Very low	49.5	Very low	116 Å²	116	110.6 Å²	110.6	62%	0.62	54%	0.544	S	S	*	.	H	α-helix	trans	-78.4	-28.3	-177.6	-65.1	-28.9	0	0	0	112.6	K315 K321	K315-D319 WeakPolarHBondContact CG-OD2 3.41Å; K315-D319 WeakPolarHBondContact O-CB 3.31Å; K315-D319 PolarHBondContact O-N 2.96Å; D319-K321 VanDerWaalsContact C-N 3.27Å; D319-K321 PolarHBondContact O-N 2.98Å
320	S	42.4	Very low	48.9	Very low	82 Å²	82	109.4 Å²	109.4	57%	0.573	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	4.8	172.3	63.4	0	0	0	0	114.8	R316 P322	R316-S320 WeakPolarHBondContact O-CB 3.4Å; R316-S320 PolarHBondContact O-N 3.24Å; R316-S320 PolarHBondContact O-OG 3.35Å; S320-P322 VanDerWaalsContact O-CD 3.3Å; S320-P322 WeakPolarHBondContact O-CD 3.38Å
321	K	39.5	Very low	48.7	Very low	141 Å²	141	109.8 Å²	109.8	61%	0.613	54%	0.541	S	S	*	.	S	Bend	trans	-51.6	111	172.1	-83.6	175.8	179.6	165.9	0	109.6	V318 D319 K323	V318-K321 WeakPolarHBondContact O-CB 3.37Å; V318-K321 WeakPolarHBondContact O-CD 3.33Å; V318-K321 WeakPolarHBondContact O-CG 3.28Å; V318-K321 PolarHBondContact O-N 3.16Å; D319-K321 VanDerWaalsContact C-N 3.27Å; D319-K321 PolarHBondContact O-N 2.98Å; K321-K323 PolarHBondContact O-N 3Å
322	P	38.1	Very low	48.8	Very low	85 Å²	85	108.4 Å²	108.4	55%	0.552	53%	0.533	S	S	*	.			trans	-64.1	140.9	-160.3	21.2	-33.2	0	0	0	111.2	S320 H324 S325	S320-P322 VanDerWaalsContact O-CD 3.3Å; S320-P322 WeakPolarHBondContact O-CD 3.38Å; P322-H324 HydrophobicContact CB-CB 4.44Å; P322-H324 PolarHBondContact O-N 2.95Å; P322-S325 VanDerWaalsContact O-CB 3.3Å; P322-S325 WeakPolarHBondContact O-CB 3.31Å; P322-S325 PolarHBondContact O-N 3.2Å
323	K	40.5	Very low	48.6	Very low	168 Å²	168	109.4 Å²	109.4	73%	0.73	54%	0.539	S	S	*	.	H	α-helix	trans	-49.3	-31.4	177.3	-68.9	-176.3	177.5	-178.4	0	111.8	K321 S325 R326 T327	K321-K323 PolarHBondContact O-N 3Å; K323-S325 VanDerWaalsContact C-N 3.28Å; K323-S325 PolarHBondContact O-N 3.15Å; K323-R326 PolarHBondContact O-N 3.36Å; K323-T327 PolarHBondContact O-N 3.15Å; K323-T327 PolarHBondContact O-OG1 3.25Å
324	H	41	Very low	48.9	Very low	142 Å²	142	109.7 Å²	109.7	66%	0.657	54%	0.54	S	S	*	.	H	α-helix	trans	-54.7	-32.3	173.6	-150.5	-38.2	0	0	0	115.1	P322 T327 H328	P322-H324 HydrophobicContact CB-CB 4.44Å; P322-H324 PolarHBondContact O-N 2.95Å; H324-T327 WeakPolarHBondContact O-CB 3.42Å; H324-T327 PolarHBondContact O-N 3.29Å; H324-H328 PolarHBondContact O-N 2.87Å
325	S	43.4	Very low	49.2	Very low	63 Å²	63	115.1 Å²	115.1	44%	0.441	56%	0.555	S	S	.	*	H	α-helix	trans	-66.3	-46	178.3	175.9	0	0	0	0	112	P322 K323 T327 H328 T329	P322-S325 VanDerWaalsContact O-CB 3.3Å; P322-S325 WeakPolarHBondContact O-CB 3.31Å; P322-S325 PolarHBondContact O-N 3.2Å; K323-S325 VanDerWaalsContact C-N 3.28Å; K323-S325 PolarHBondContact O-N 3.15Å; S325-T327 PolarHBondContact O-N 3.34Å; S325-H328 PolarHBondContact O-N 3.45Å; S325-H328 VanDerWaalsContact O-N 3.17Å; S325-T329 PolarHBondContact O-N 2.98Å; S325-T329 PolarHBondContact O-OG1 3.2Å
326	R	47.3	Very low	49.6	Very low	196 Å²	196	116.7 Å²	116.7	74%	0.74	56%	0.557	S	S	*	*	H	α-helix	trans	-60.3	-37.5	175	-67.8	-176.3	178.8	-175.7	1.4	110.9	K323 R330	K323-R326 PolarHBondContact O-N 3.36Å; R326-R330 WeakPolarHBondContact O-CB 3.19Å; R326-R330 WeakPolarHBondContact O-CG 3.23Å; R326-R330 PolarHBondContact O-N 3.06Å
327	T	49.2	Very low	50.2	Low	72 Å²	72	113.9 Å²	113.9	44%	0.442	55%	0.549	S	S	.	.	H	α-helix	trans	-64.8	-45.6	174.6	-48.2	0	0	0	0	111.9	K323 H324 S325 T329 R330 M331	K323-T327 PolarHBondContact O-N 3.15Å; K323-T327 PolarHBondContact O-OG1 3.25Å; H324-T327 WeakPolarHBondContact O-CB 3.42Å; H324-T327 PolarHBondContact O-N 3.29Å; S325-T327 PolarHBondContact O-N 3.34Å; T327-T329 PolarHBondContact O-N 3.02Å; T327-R330 PolarHBondContact O-N 3.25Å; T327-M331 HydrophobicContact CG2-CE 4.29Å; T327-M331 WeakPolarHBondContact O-CG 3.5Å; T327-M331 PolarHBondContact O-N 2.76Å
328	H	49.1	Very low	50.5	Low	108 Å²	108	117.1 Å²	117.1	50%	0.5	56%	0.555	S	S	.	*	H	α-helix	trans	-60.9	-45.6	177.7	-170.5	-134.6	0	0	0	111.9	H324 S325 R330 M331 I332	H324-H328 PolarHBondContact O-N 2.87Å; S325-H328 PolarHBondContact O-N 3.45Å; S325-H328 VanDerWaalsContact O-N 3.17Å; H328-R330 PolarHBondContact O-N 3.4Å; H328-M331 PolarHBondContact O-N 3.37Å; H328-I332 WeakPolarHBondContact O-CG1 3.4Å; H328-I332 PolarHBondContact O-N 2.89Å
329	T	53.2	Low	50.9	Low	88 Å²	88	118.5 Å²	118.5	54%	0.54	56%	0.558	S	S	.	*	H	α-helix	trans	-63.3	-40.8	175.4	-54.9	0	0	0	0	112.3	S325 T327 I332 C333	S325-T329 PolarHBondContact O-N 2.98Å; S325-T329 PolarHBondContact O-OG1 3.2Å; T327-T329 PolarHBondContact O-N 3.02Å; T329-I332 PolarHBondContact O-N 3.03Å; T329-C333 WeakPolarHBondContact O-CB 3.47Å; T329-C333 PolarHBondContact O-N 3.4Å
330	R	53.2	Low	51.4	Low	137 Å²	137	115.7 Å²	115.7	52%	0.517	55%	0.546	S	S	.	.	H	α-helix	trans	-60.7	-43.1	173	-78.9	178.4	172.8	-171.9	-2.4	111.2	R326 T327 H328 C333 Q334 D688	R326-R330 WeakPolarHBondContact O-CB 3.19Å; R326-R330 WeakPolarHBondContact O-CG 3.23Å; R326-R330 PolarHBondContact O-N 3.06Å; T327-R330 PolarHBondContact O-N 3.25Å; H328-R330 PolarHBondContact O-N 3.4Å; R330-C333 PolarHBondContact O-N 3.31Å; R330-Q334 WeakPolarHBondContact O-CG 3.43Å; R330-Q334 PolarHBondContact O-N 2.89Å; R330-D688 IonicContact NH2-OD2 2.73Å
331	M	55.1	Low	52.1	Low	96 Å²	96	115.8 Å²	115.8	47%	0.473	53%	0.534	S	S	.	.	H	α-helix	trans	-65.7	-44	176.7	-72	-168.9	-65.7	0	0	112.9	T327 H328 C333 Q334 R335	T327-M331 HydrophobicContact CG2-CE 4.29Å; T327-M331 WeakPolarHBondContact O-CG 3.5Å; T327-M331 PolarHBondContact O-N 2.76Å; H328-M331 PolarHBondContact O-N 3.37Å; M331-C333 VanDerWaalsContact C-N 3.32Å; M331-C333 PolarHBondContact O-N 2.96Å; M331-Q334 PolarHBondContact O-N 2.94Å; M331-R335 WeakPolarHBondContact O-CB 3.47Å; M331-R335 PolarHBondContact O-N 3.07Å
332	I	62.8	Low	53.1	Low	68 Å²	68	113.2 Å²	113.2	35%	0.349	53%	0.527	S	S	.	.	H	α-helix	trans	-60.2	-43.1	175.1	-69.7	168.1	0	0	0	110.7	H328 T329 R335 R336	H328-I332 WeakPolarHBondContact O-CG1 3.4Å; H328-I332 PolarHBondContact O-N 2.89Å; T329-I332 PolarHBondContact O-N 3.03Å; I332-R335 PolarHBondContact O-N 3.34Å; I332-R336 WeakPolarHBondContact O-CB 3.43Å; I332-R336 WeakPolarHBondContact O-CG 3.44Å; I332-R336 PolarHBondContact O-N 2.92Å
333	C	57.2	Low	54.2	Low	60 Å²	60	111.9 Å²	111.9	41%	0.405	52%	0.52	S	S	.	.	H	α-helix	trans	-61.6	-45.3	176.1	-176.5	0	0	0	0	112	T329 R330 M331 R336 K337	T329-C333 WeakPolarHBondContact O-CB 3.47Å; T329-C333 PolarHBondContact O-N 3.4Å; R330-C333 PolarHBondContact O-N 3.31Å; M331-C333 VanDerWaalsContact C-N 3.32Å; M331-C333 PolarHBondContact O-N 2.96Å; C333-R336 PolarHBondContact O-N 3.25Å; C333-K337 WeakPolarHBondContact O-CG 3.48Å; C333-K337 PolarHBondContact O-N 3.42Å
334	Q	61.2	Low	55.4	Low	110 Å²	110	105.1 Å²	105.1	51%	0.514	49%	0.49	S	S	.	.	H	α-helix	trans	-64.3	-41.1	175.4	-71.4	176.3	12.3	0	0	112.5	R330 M331 K337 R338	R330-Q334 WeakPolarHBondContact O-CG 3.43Å; R330-Q334 PolarHBondContact O-N 2.89Å; M331-Q334 PolarHBondContact O-N 2.94Å; Q334-K337 PolarHBondContact O-N 2.91Å; Q334-R338 WeakPolarHBondContact O-CB 3.26Å; Q334-R338 PolarHBondContact O-N 3.26Å
335	R	58.3	Low	56.4	Low	192 Å²	192	102.9 Å²	102.9	73%	0.725	48%	0.479	S	S	*	.	H	α-helix	trans	-64.1	-43.1	177	-163.5	171.1	-175.7	168	0.6	111	M331 I332 R338 I339	M331-R335 WeakPolarHBondContact O-CB 3.47Å; M331-R335 PolarHBondContact O-N 3.07Å; I332-R335 PolarHBondContact O-N 3.34Å; R335-R338 PolarHBondContact O-N 3.35Å; R335-I339 HydrophobicContact CG-CD1 4.28Å; R335-I339 WeakPolarHBondContact O-CD1 3.28Å; R335-I339 VanDerWaalsContact O-CG1 3.26Å; R335-I339 WeakPolarHBondContact O-CG1 3.44Å; R335-I339 PolarHBondContact O-N 2.86Å
336	R	57.4	Low	57.3	Low	178 Å²	178	104.5 Å²	104.5	67%	0.672	48%	0.478	S	S	*	.	H	α-helix	trans	-60.3	-47.2	171.7	-74.6	-178.7	179.6	-175.2	1	112	I332 C333 R338 I339 V340	I332-R336 WeakPolarHBondContact O-CB 3.43Å; I332-R336 WeakPolarHBondContact O-CG 3.44Å; I332-R336 PolarHBondContact O-N 2.92Å; C333-R336 PolarHBondContact O-N 3.25Å; R336-R338 VanDerWaalsContact C-N 3.35Å; R336-R338 PolarHBondContact O-N 3.38Å; R336-I339 PolarHBondContact O-N 3.13Å; R336-V340 WeakPolarHBondContact O-CG2 3.23Å; R336-V340 PolarHBondContact O-N 2.89Å
337	K	56.6	Low	58.2	Low	108 Å²	108	97.3 Å²	97.3	47%	0.47	46%	0.456	S	S	.	.	H	α-helix	trans	-57.2	-45.2	175.1	-74.5	178.3	-179.2	-174	0	112.1	C333 Q334 V340 Y341	C333-K337 WeakPolarHBondContact O-CG 3.48Å; C333-K337 PolarHBondContact O-N 3.42Å; Q334-K337 PolarHBondContact O-N 2.91Å; K337-V340 PolarHBondContact O-N 3.1Å; K337-Y341 VanDerWaalsContact O-CB 3.31Å; K337-Y341 WeakPolarHBondContact O-CB 3.31Å; K337-Y341 PolarHBondContact O-N 3.35Å
338	R	58	Low	58.9	Low	171 Å²	171	95.3 Å²	95.3	65%	0.645	44%	0.443	S	S	*	.	H	α-helix	trans	-65	-38.6	178.1	-167.8	-177.9	-69.7	178.8	-1.9	112.3	Q334 R335 R336 N342	Q334-R338 WeakPolarHBondContact O-CB 3.26Å; Q334-R338 PolarHBondContact O-N 3.26Å; R335-R338 PolarHBondContact O-N 3.35Å; R336-R338 VanDerWaalsContact C-N 3.35Å; R336-R338 PolarHBondContact O-N 3.38Å; R338-N342 VanDerWaalsContact O-CB 3.26Å; R338-N342 WeakPolarHBondContact O-CB 3.45Å; R338-N342 PolarHBondContact O-N 2.87Å
339	I	59.1	Low	59.8	Low	107 Å²	107	97.5 Å²	97.5	55%	0.549	45%	0.451	S	S	.	.	H	α-helix	trans	-64.3	-48.5	174.8	-69.9	162.6	0	0	0	110.8	R335 R336 N342 S343	R335-I339 HydrophobicContact CG-CD1 4.28Å; R335-I339 WeakPolarHBondContact O-CD1 3.28Å; R335-I339 VanDerWaalsContact O-CG1 3.26Å; R335-I339 WeakPolarHBondContact O-CG1 3.44Å; R335-I339 PolarHBondContact O-N 2.86Å; R336-I339 PolarHBondContact O-N 3.13Å; I339-N342 PolarHBondContact O-N 3.36Å; I339-S343 PolarHBondContact O-N 3.22Å
340	V	56	Low	60.6	Low	58 Å²	58	94 Å²	94	35%	0.352	43%	0.43	S	S	.	.	H	α-helix	trans	-59.9	-50.5	176.9	173.7	0	0	0	0	110.5	R336 K337 N342 S343 E344	R336-V340 WeakPolarHBondContact O-CG2 3.23Å; R336-V340 PolarHBondContact O-N 2.89Å; K337-V340 PolarHBondContact O-N 3.1Å; V340-N342 PolarHBondContact O-N 3.35Å; V340-S343 PolarHBondContact O-N 3.25Å; V340-S343 PolarHBondContact O-OG 3.11Å; V340-E344 HydrophobicContact CG1-CG 4.37Å; V340-E344 WeakPolarHBondContact O-CG 3.04Å; V340-E344 PolarHBondContact O-N 2.89Å
341	Y	58.6	Low	61.3	Low	84 Å²	84	88.5 Å²	88.5	33%	0.329	41%	0.412	S	S	.	.	H	α-helix	trans	-57.8	-43.1	177.4	177.5	-106.8	0	0	0	113.1	K337 S343 E344 K345 P614	K337-Y341 VanDerWaalsContact O-CB 3.31Å; K337-Y341 WeakPolarHBondContact O-CB 3.31Å; K337-Y341 PolarHBondContact O-N 3.35Å; Y341-S343 VanDerWaalsContact C-N 3.31Å; Y341-S343 PolarHBondContact O-N 3.49Å; Y341-E344 PolarHBondContact O-N 2.93Å; Y341-K345 WeakPolarHBondContact O-CB 3.3Å; Y341-K345 PolarHBondContact O-N 2.81Å; Y341-P614 VanDerWaalsContact OH-CG 3.31Å; Y341-P614 WeakPolarHBondContact OH-CG 3.42Å
342	N	59.6	Low	62.1	Low	86 Å²	86	86.9 Å²	86.9	46%	0.46	41%	0.414	S	S	.	.	H	α-helix	trans	-67.1	-31.6	176.1	-75.6	-1.5	0	0	0	112.6	R338 I339 V340	R338-N342 VanDerWaalsContact O-CB 3.26Å; R338-N342 WeakPolarHBondContact O-CB 3.45Å; R338-N342 PolarHBondContact O-N 2.87Å; I339-N342 PolarHBondContact O-N 3.36Å; V340-N342 PolarHBondContact O-N 3.35Å
343	S	62.1	Low	62.7	Low	58 Å²	58	87.2 Å²	87.2	41%	0.406	42%	0.416	S	S	.	.	H	α-helix	trans	-71.8	-42.3	173	75.1	0	0	0	0	111.9	I339 V340 Y341 K345 K346 T347	I339-S343 PolarHBondContact O-N 3.22Å; V340-S343 PolarHBondContact O-N 3.25Å; V340-S343 PolarHBondContact O-OG 3.11Å; Y341-S343 VanDerWaalsContact C-N 3.31Å; Y341-S343 PolarHBondContact O-N 3.49Å; S343-K345 PolarHBondContact O-N 2.87Å; S343-K346 WeakPolarHBondContact O-CB 3.46Å; S343-K346 PolarHBondContact O-N 3.03Å; S343-K346 VanDerWaalsContact O-N 3.13Å; S343-T347 PolarHBondContact O-N 2.94Å; S343-T347 PolarHBondContact O-OG1 2.93Å
344	E	64.4	Low	63.5	Low	25 Å²	25	84.6 Å²	84.6	12%	0.117	40%	0.398	C	S	.	.	H	α-helix	trans	-61.7	-43.5	175.2	-76.5	-62	157.3	0	0	111.5	V340 Y341 K346 T347 V348 R530 I534	V340-E344 HydrophobicContact CG1-CG 4.37Å; V340-E344 WeakPolarHBondContact O-CG 3.04Å; V340-E344 PolarHBondContact O-N 2.89Å; Y341-E344 PolarHBondContact O-N 2.93Å; E344-K346 PolarHBondContact O-N 3.46Å; E344-K346 VanDerWaalsContact O-N 3.13Å; E344-T347 PolarHBondContact O-N 3.02Å; E344-V348 VanDerWaalsContact O-CG2 3.31Å; E344-V348 WeakPolarHBondContact O-CG2 3.32Å; E344-V348 PolarHBondContact O-N 2.98Å; E344-R530 IonicContact OE1-CZ 3.36Å; E344-R530 IonicContact OE1-NH1 3.7Å; E344-R530 PolarHBondContact OE1-NH1 3.41Å; E344-R530 IonicContact OE1-NH2 3.23Å; E344-R530 IonicContact OE2-CZ 2.76Å; E344-R530 IonicContact OE2-NH1 3.78Å; E344-R530 PolarHBondContact OE2-NH1 3.48Å; E344-I534 HydrophobicContact CB-CG1 4.43Å
345	K	61.8	Low	64	Low	96 Å²	96	80.4 Å²	80.4	42%	0.417	38%	0.38	S	S	.	.	H	α-helix	trans	-59.4	-23.7	175.4	-171.4	172.6	-180	178.1	0	113.6	Y341 S343	Y341-K345 WeakPolarHBondContact O-CB 3.3Å; Y341-K345 PolarHBondContact O-N 2.81Å; S343-K345 PolarHBondContact O-N 2.87Å
346	K	63.4	Low	65	Low	97 Å²	97	74.4 Å²	74.4	42%	0.422	37%	0.367	S	S	.	.	H	α-helix	trans	-71.1	-53.4	169.2	-65.6	-177.4	-179.2	-175	0	110.3	S343 E344 V348 K349 T350	S343-K346 WeakPolarHBondContact O-CB 3.46Å; S343-K346 PolarHBondContact O-N 3.03Å; S343-K346 VanDerWaalsContact O-N 3.13Å; E344-K346 PolarHBondContact O-N 3.46Å; E344-K346 VanDerWaalsContact O-N 3.13Å; K346-V348 PolarHBondContact O-N 3.3Å; K346-K349 WeakPolarHBondContact O-CB 3.43Å; K346-K349 PolarHBondContact O-N 2.84Å; K346-T350 PolarHBondContact O-N 3.05Å; K346-T350 PolarHBondContact O-OG1 3.3Å
347	T	65.4	Low	66.1	Low	45 Å²	45	66.9 Å²	66.9	28%	0.276	34%	0.341	S	S	.	.	H	α-helix	trans	-59.8	-32.6	179.7	-43.1	0	0	0	0	112.8	S343 E344 K349 T350 V351	S343-T347 PolarHBondContact O-N 2.94Å; S343-T347 PolarHBondContact O-OG1 2.93Å; E344-T347 PolarHBondContact O-N 3.02Å; T347-K349 PolarHBondContact O-N 3.5Å; T347-T350 WeakPolarHBondContact O-CB 3.22Å; T347-T350 PolarHBondContact O-N 3.16Å; T347-V351 WeakPolarHBondContact O-CG2 3.5Å; T347-V351 PolarHBondContact O-N 3.32Å
348	V	64.9	Low	67.3	Low	29 Å²	29	61.9 Å²	61.9	18%	0.176	32%	0.319	C	S	.	.	H	α-helix	trans	-56.3	-46.9	171.6	169.3	0	0	0	0	112	E344 K346 T350 V351 A352 I534 F612	E344-V348 VanDerWaalsContact O-CG2 3.31Å; E344-V348 WeakPolarHBondContact O-CG2 3.32Å; E344-V348 PolarHBondContact O-N 2.98Å; K346-V348 PolarHBondContact O-N 3.3Å; V348-T350 VanDerWaalsContact C-N 3.3Å; V348-T350 PolarHBondContact O-N 2.89Å; V348-V351 PolarHBondContact O-N 3.17Å; V348-A352 WeakPolarHBondContact O-CB 3.45Å; V348-A352 PolarHBondContact O-N 3.1Å; V348-I534 HydrophobicContact CG2-CD1 3.15Å; V348-I534 HydrophobicContact CG2-CG1 4.34Å; V348-F612 HydrophobicContact CB-CE1 4.27Å; V348-F612 HydrophobicContact CG1-CD1 4.09Å; V348-F612 HydrophobicContact CG1-CE1 3.5Å; V348-F612 HydrophobicContact CG1-CZ 4.22Å; V348-F612 HydrophobicContact CG2-CE1 3.65Å; V348-F612 HydrophobicContact CG2-CZ 4.18Å
349	K	68	Low	68.4	Low	154 Å²	154	55.7 Å²	55.7	67%	0.67	30%	0.3	S	S	*	.	H	α-helix	trans	-63	-40.9	179.1	-70.8	-162.5	169.8	-152.3	0	110.8	K346 T347 L353	K346-K349 WeakPolarHBondContact O-CB 3.43Å; K346-K349 PolarHBondContact O-N 2.84Å; T347-K349 PolarHBondContact O-N 3.5Å; K349-L353 WeakPolarHBondContact O-CB 3.23Å; K349-L353 PolarHBondContact O-N 3.06Å
350	T	68.8	Low	69.6	Low	16 Å²	16	55.7 Å²	55.7	10%	0.098	30%	0.301	C	S	.	.	H	α-helix	trans	-57	-52.6	173.4	-45.7	0	0	0	0	111.4	K346 T347 V348 L353 V354 I401 Y402 C405	K346-T350 PolarHBondContact O-N 3.05Å; K346-T350 PolarHBondContact O-OG1 3.3Å; T347-T350 WeakPolarHBondContact O-CB 3.22Å; T347-T350 PolarHBondContact O-N 3.16Å; V348-T350 VanDerWaalsContact C-N 3.3Å; V348-T350 PolarHBondContact O-N 2.89Å; T350-L353 WeakPolarHBondContact O-CB 3.28Å; T350-L353 PolarHBondContact O-N 3.34Å; T350-V354 WeakPolarHBondContact O-CG2 3.49Å; T350-V354 PolarHBondContact O-N 3.11Å; T350-I401 HydrophobicContact CG2-CG2 3.68Å; T350-Y402 HydrophobicContact CG2-CD1 4.06Å; T350-Y402 HydrophobicContact CG2-CE1 4.05Å; T350-C405 HydrophobicContact CG2-CB 3.88Å; T350-C405 WeakPolarHBondContact OG1-CB 3.42Å; T350-C405 PolarHBondContact OG1-SG 3.09Å
351	V	69.1	Low	71	Confident	21 Å²	21	55.4 Å²	55.4	13%	0.127	30%	0.295	C	S	.	.	H	α-helix	trans	-68.7	-38.4	-176.5	174.2	0	0	0	0	112.4	T347 V348 L353 V354 V355 I526 R530	T347-V351 WeakPolarHBondContact O-CG2 3.5Å; T347-V351 PolarHBondContact O-N 3.32Å; V348-V351 PolarHBondContact O-N 3.17Å; V351-L353 VanDerWaalsContact C-N 3.27Å; V351-L353 PolarHBondContact O-N 3.37Å; V351-V354 PolarHBondContact O-N 3.43Å; V351-V355 HydrophobicContact CG1-CG2 4.38Å; V351-V355 WeakPolarHBondContact O-CB 3.43Å; V351-V355 VanDerWaalsContact O-CG2 3.26Å; V351-V355 WeakPolarHBondContact O-CG2 3.49Å; V351-V355 PolarHBondContact O-N 3.29Å; V351-I526 HydrophobicContact CB-CG2 4.33Å; V351-I526 HydrophobicContact CG1-CG2 3.91Å; V351-I526 HydrophobicContact CG2-CG2 3.41Å; V351-I526 VanDerWaalsContact CG2-CG2 3.41Å; V351-R530 HydrophobicContact CG2-CG 3.98Å
352	A	71.2	Confident	72.2	Confident	62 Å²	62	52.9 Å²	52.9	51%	0.512	29%	0.285	S	S	.	.	H	α-helix	trans	-61.5	-36.1	172.9	0	0	0	0	0	112.2	V348 C356	V348-A352 WeakPolarHBondContact O-CB 3.45Å; V348-A352 PolarHBondContact O-N 3.1Å; A352-C356 WeakPolarHBondContact O-CB 3.19Å; A352-C356 PolarHBondContact O-N 3.42Å
353	L	75.6	Confident	73.5	Confident	75 Å²	75	52.5 Å²	52.5	39%	0.393	28%	0.282	S	S	.	.	H	α-helix	trans	-69.9	-48.6	175.9	-156.9	177.8	0	0	0	111.1	K349 T350 V351 V355 C356 C357 I401	K349-L353 WeakPolarHBondContact O-CB 3.23Å; K349-L353 PolarHBondContact O-N 3.06Å; T350-L353 WeakPolarHBondContact O-CB 3.28Å; T350-L353 PolarHBondContact O-N 3.34Å; V351-L353 VanDerWaalsContact C-N 3.27Å; V351-L353 PolarHBondContact O-N 3.37Å; L353-V355 VanDerWaalsContact C-N 3.29Å; L353-V355 PolarHBondContact O-N 2.98Å; L353-C356 WeakPolarHBondContact O-CB 3.29Å; L353-C356 PolarHBondContact O-N 2.95Å; L353-C357 PolarHBondContact O-N 3.32Å; L353-I401 HydrophobicContact CD2-CD1 3.7Å; L353-I401 HydrophobicContact CD2-CG1 3.78Å
354	V	73.1	Confident	74.7	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.024	28%	0.276	C	S	.	.	H	α-helix	trans	-56.6	-43.8	175	-179.7	0	0	0	0	111.3	T350 V351 C356 C357 F358 I401 L523	T350-V354 WeakPolarHBondContact O-CG2 3.49Å; T350-V354 PolarHBondContact O-N 3.11Å; V351-V354 PolarHBondContact O-N 3.43Å; V354-C356 VanDerWaalsContact C-N 3.34Å; V354-C356 PolarHBondContact O-N 2.85Å; V354-C357 PolarHBondContact O-N 3.5Å; V354-F358 WeakPolarHBondContact O-CB 3.42Å; V354-F358 PolarHBondContact O-N 3.46Å; V354-I401 HydrophobicContact CG2-CB 4.43Å; V354-I401 HydrophobicContact CG2-CD1 3.95Å; V354-I401 HydrophobicContact CG2-CG2 3.71Å; V354-L523 HydrophobicContact CG1-CD1 4.42Å; V354-L523 HydrophobicContact CG1-CD2 3.39Å
355	V	73.5	Confident	75.6	Confident	23 Å²	23	53.1 Å²	53.1	14%	0.139	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-38.2	176.1	168.8	0	0	0	0	111.8	V351 L353 F358 V359 I605	V351-V355 HydrophobicContact CG1-CG2 4.38Å; V351-V355 WeakPolarHBondContact O-CB 3.43Å; V351-V355 VanDerWaalsContact O-CG2 3.26Å; V351-V355 WeakPolarHBondContact O-CG2 3.49Å; V351-V355 PolarHBondContact O-N 3.29Å; L353-V355 VanDerWaalsContact C-N 3.29Å; L353-V355 PolarHBondContact O-N 2.98Å; V355-F358 PolarHBondContact O-N 3.49Å; V355-V359 WeakPolarHBondContact O-CG2 3.16Å; V355-V359 PolarHBondContact O-N 3.49Å; V355-I605 HydrophobicContact CG1-CD1 4.31Å; V355-I605 HydrophobicContact CG1-CG2 3.92Å; V355-I605 HydrophobicContact CG2-CD1 4.09Å; V355-I605 HydrophobicContact CG2-CG2 4.16Å
356	C	78.6	Confident	76.6	Confident	66 Å²	66	49 Å²	49	45%	0.446	27%	0.265	S	S	.	.	H	α-helix	trans	-64.1	-47.7	176.3	-165.5	0	0	0	0	111.4	A352 L353 V354 F358 V359 L360	A352-C356 WeakPolarHBondContact O-CB 3.19Å; A352-C356 PolarHBondContact O-N 3.42Å; L353-C356 WeakPolarHBondContact O-CB 3.29Å; L353-C356 PolarHBondContact O-N 2.95Å; V354-C356 VanDerWaalsContact C-N 3.34Å; V354-C356 PolarHBondContact O-N 2.85Å; C356-F358 PolarHBondContact O-N 3.04Å; C356-V359 PolarHBondContact O-N 3.45Å; C356-L360 WeakPolarHBondContact O-CB 3.43Å; C356-L360 VanDerWaalsContact O-CG 3.3Å; C356-L360 WeakPolarHBondContact O-CG 3.29Å; C356-L360 PolarHBondContact O-N 3.35Å
357	C	80.3	Confident	77.7	Confident	19 Å²	19	46.9 Å²	46.9	13%	0.128	26%	0.26	C	S	.	.	H	α-helix	trans	-57	-47.7	173.3	-70.4	0	0	0	0	111.6	L353 V354 V359 L360 F361 C397	L353-C357 PolarHBondContact O-N 3.32Å; V354-C357 PolarHBondContact O-N 3.5Å; C357-V359 PolarHBondContact O-N 2.89Å; C357-L360 PolarHBondContact O-N 3.19Å; C357-F361 HydrophobicContact CB-CD2 3.99Å; C357-F361 HydrophobicContact CB-CE2 3.86Å; C357-F361 WeakPolarHBondContact O-CB 3.31Å; C357-F361 WeakPolarHBondContact O-CD2 3.26Å; C357-F361 WeakPolarHBondContact O-CG 3.48Å; C357-F361 PolarHBondContact O-N 3.48Å; C357-C397 HydrophobicContact CB-CB 4.43Å
358	F	81.2	Confident	78.6	Confident	3 Å²	3	46.1 Å²	46.1	1%	0.013	25%	0.254	C	S	.	.	H	α-helix	trans	-55.4	-50.5	177.2	169.9	-109.3	0	0	0	112.2	V354 V355 C356 W362 N394 I520 L523 Y598 I602	V354-F358 WeakPolarHBondContact O-CB 3.42Å; V354-F358 PolarHBondContact O-N 3.46Å; V355-F358 PolarHBondContact O-N 3.49Å; C356-F358 PolarHBondContact O-N 3.04Å; F358-W362 HydrophobicContact CD2-CB 4.39Å; F358-W362 AromaticContact CD2-CD1 3.38Å; F358-W362 AromaticContact CD2-CG 3.87Å; F358-W362 HydrophobicContact CD2-CG 3.87Å; F358-W362 AromaticContact CD2-NE1 3.92Å; F358-W362 HydrophobicContact CE2-CB 3.96Å; F358-W362 AromaticContact CE2-CD1 3.47Å; F358-W362 VanDerWaalsContact CE2-CD1 3.47Å; F358-W362 AromaticContact CE2-CD2 3.99Å; F358-W362 HydrophobicContact CE2-CD2 3.99Å; F358-W362 AromaticContact CE2-CG 3.49Å; F358-W362 HydrophobicContact CE2-CG 3.49Å; F358-W362 VanDerWaalsContact CE2-CG 3.49Å; F358-W362 AromaticContact CE2-NE1 3.95Å; F358-W362 HydrophobicContact CZ-CB 4.44Å; F358-W362 HydrophobicContact CZ-CG 4.36Å; F358-W362 WeakPolarHBondContact O-CB 3.28Å; F358-W362 PolarHBondContact O-N 3.26Å; F358-N394 WeakPolarHBondContact CA-OD1 3.25Å; F358-N394 PolarHBondContact N-OD1 3.21Å; F358-I520 HydrophobicContact CD2-CG1 4.37Å; F358-I520 HydrophobicContact CE2-CD1 3.76Å; F358-I520 HydrophobicContact CE2-CG1 3.48Å; F358-I520 VanDerWaalsContact CE2-CG1 3.48Å; F358-I520 HydrophobicContact CZ-CD1 3.89Å; F358-I520 HydrophobicContact CZ-CG1 3.77Å; F358-I520 HydrophobicContact CZ-CG2 4.05Å; F358-L523 HydrophobicContact CB-CD1 3.81Å; F358-L523 HydrophobicContact CD2-CD1 4.02Å; F358-L523 HydrophobicContact CG-CD1 3.82Å; F358-Y598 HydrophobicContact CE1-CD2 4.09Å; F358-Y598 HydrophobicContact CE1-CE2 4.21Å; F358-Y598 AromaticContact CZ-CD2 3.75Å; F358-Y598 HydrophobicContact CZ-CD2 3.75Å; F358-Y598 HydrophobicContact CZ-CE2 4.16Å; F358-I602 HydrophobicContact CE1-CG1 4.48Å
359	V	82.5	Confident	79.4	Confident	42 Å²	42	46.6 Å²	46.6	26%	0.255	25%	0.253	S	S	.	.	H	α-helix	trans	-59.2	-51.7	177.3	171.1	0	0	0	0	110.9	V355 C356 C357 F361 L363 Y598 I602	V355-V359 WeakPolarHBondContact O-CG2 3.16Å; V355-V359 PolarHBondContact O-N 3.49Å; C356-V359 PolarHBondContact O-N 3.45Å; C357-V359 PolarHBondContact O-N 2.89Å; V359-F361 PolarHBondContact O-N 2.94Å; V359-L363 WeakPolarHBondContact O-CB 3.43Å; V359-L363 PolarHBondContact O-N 3.36Å; V359-Y598 PolarHBondContact O-OH 3.18Å; V359-Y598 VanDerWaalsContact O-OH 3.05Å; V359-I602 HydrophobicContact CG2-CD1 3.89Å; V359-I602 HydrophobicContact CG2-CG1 3.92Å
360	L	84.2	Confident	80.2	Confident	107 Å²	107	40.7 Å²	40.7	56%	0.56	23%	0.228	S	C	*	.	H	α-helix	trans	-63.5	-40.8	-174.8	-69.8	171.4	0	0	0	113	C356 C357 P364	C356-L360 WeakPolarHBondContact O-CB 3.43Å; C356-L360 VanDerWaalsContact O-CG 3.3Å; C356-L360 WeakPolarHBondContact O-CG 3.29Å; C356-L360 PolarHBondContact O-N 3.35Å; C357-L360 PolarHBondContact O-N 3.19Å; L360-P364 WeakPolarHBondContact O-CD 3.46Å
361	F	84.6	Confident	80.9	Confident	51 Å²	51	43.9 Å²	43.9	22%	0.224	24%	0.243	C	C	.	.	H	α-helix	trans	-81.1	-31.6	-177.4	-65.8	-52.6	0	0	0	113.6	C357 V359 P364 I390 A391 L393 N394 C397	C357-F361 HydrophobicContact CB-CD2 3.99Å; C357-F361 HydrophobicContact CB-CE2 3.86Å; C357-F361 WeakPolarHBondContact O-CB 3.31Å; C357-F361 WeakPolarHBondContact O-CD2 3.26Å; C357-F361 WeakPolarHBondContact O-CG 3.48Å; C357-F361 PolarHBondContact O-N 3.48Å; V359-F361 PolarHBondContact O-N 2.94Å; F361-P364 WeakPolarHBondContact O-CD 3.48Å; F361-I390 WeakPolarHBondContact CB-O 3.29Å; F361-I390 HydrophobicContact CD1-CG2 3.95Å; F361-A391 WeakPolarHBondContact O-CA 3.49Å; F361-A391 PolarHBondContact O-N 3.26Å; F361-L393 HydrophobicContact CD1-CB 4.36Å; F361-L393 HydrophobicContact CE1-CB 4.46Å; F361-N394 HydrophobicContact CB-CB 4.21Å; F361-N394 HydrophobicContact CD2-CB 4.26Å; F361-C397 WeakPolarHBondContact CE2-SG 3.28Å
362	W	84.1	Confident	81.5	Confident	32 Å²	32	44.5 Å²	44.5	12%	0.121	25%	0.245	C	C	.	.	H	α-helix	trans	-88.4	-16.2	178.7	-76.6	75.9	0	0	0	114.2	F358 T366 A391 C516 Y598	F358-W362 HydrophobicContact CD2-CB 4.39Å; F358-W362 AromaticContact CD2-CD1 3.38Å; F358-W362 AromaticContact CD2-CG 3.87Å; F358-W362 HydrophobicContact CD2-CG 3.87Å; F358-W362 AromaticContact CD2-NE1 3.92Å; F358-W362 HydrophobicContact CE2-CB 3.96Å; F358-W362 AromaticContact CE2-CD1 3.47Å; F358-W362 VanDerWaalsContact CE2-CD1 3.47Å; F358-W362 AromaticContact CE2-CD2 3.99Å; F358-W362 HydrophobicContact CE2-CD2 3.99Å; F358-W362 AromaticContact CE2-CG 3.49Å; F358-W362 HydrophobicContact CE2-CG 3.49Å; F358-W362 VanDerWaalsContact CE2-CG 3.49Å; F358-W362 AromaticContact CE2-NE1 3.95Å; F358-W362 HydrophobicContact CZ-CB 4.44Å; F358-W362 HydrophobicContact CZ-CG 4.36Å; F358-W362 WeakPolarHBondContact O-CB 3.28Å; F358-W362 PolarHBondContact O-N 3.26Å; W362-T366 VanDerWaalsContact O-CB 3.27Å; W362-T366 WeakPolarHBondContact O-CB 3.49Å; W362-T366 PolarHBondContact O-N 3.37Å; W362-T366 VanDerWaalsContact O-N 3.09Å; W362-T366 PolarHBondContact O-OG1 2.85Å; W362-A391 HydrophobicContact CD2-CB 3.9Å; W362-A391 HydrophobicContact CE3-CB 4.18Å; W362-A391 HydrophobicContact CG-CB 4.25Å; W362-A391 HydrophobicContact CH2-CB 4.36Å; W362-A391 HydrophobicContact CZ2-CB 4.12Å; W362-A391 HydrophobicContact CZ3-CB 4.4Å; W362-A391 PolarHBondContact NE1-O 2.95Å; W362-C516 HydrophobicContact CH2-CB 3.55Å; W362-C516 HydrophobicContact CZ2-CB 3.95Å; W362-Y598 HydrophobicContact CB-CD2 3.87Å; W362-Y598 HydrophobicContact CB-CE2 3.57Å
363	L	86.2	Confident	82	Confident	77 Å²	77	41.6 Å²	41.6	40%	0.403	22%	0.221	S	C	.	.	H	α-helix	trans	-57.6	-47.1	179	-176.7	65.6	0	0	0	113.8	V359 T367 Y598	V359-L363 WeakPolarHBondContact O-CB 3.43Å; V359-L363 PolarHBondContact O-N 3.36Å; L363-T367 VanDerWaalsContact O-CB 3.23Å; L363-T367 WeakPolarHBondContact O-CB 3.47Å; L363-T367 PolarHBondContact O-N 3.44Å; L363-T367 PolarHBondContact O-OG1 3.28Å; L363-Y598 WeakPolarHBondContact CA-OH 3.34Å; L363-Y598 WeakPolarHBondContact CB-OH 3.37Å; L363-Y598 HydrophobicContact CD1-CE1 4.11Å
364	P	87	Confident	82.3	Confident	43 Å²	43	42.4 Å²	42.4	28%	0.279	23%	0.225	S	C	.	.	H	α-helix	trans	-64.3	-50.3	-174.3	-22.4	35.2	0	0	0	112.2	L360 F361 T367 L368 T387 I390	L360-P364 WeakPolarHBondContact O-CD 3.46Å; F361-P364 WeakPolarHBondContact O-CD 3.48Å; P364-T367 PolarHBondContact O-N 2.99Å; P364-L368 WeakPolarHBondContact O-CG 3.13Å; P364-L368 PolarHBondContact O-N 2.72Å; P364-T387 HydrophobicContact CB-CG2 3.65Å; P364-I390 HydrophobicContact CG-CG2 4.47Å
365	F	83.8	Confident	82.8	Confident	54 Å²	54	45.1 Å²	45.1	24%	0.237	24%	0.243	C	C	.	.	H	α-helix	trans	-62.1	-47.8	179.7	-177.3	-102.3	0	0	0	111.6	T367 L368 Y369 F384 A391	F365-T367 VanDerWaalsContact C-N 3.3Å; F365-T367 PolarHBondContact O-N 2.62Å; F365-L368 PolarHBondContact O-N 2.7Å; F365-Y369 WeakPolarHBondContact O-CB 3.4Å; F365-Y369 PolarHBondContact O-N 3.38Å; F365-F384 HydrophobicContact CD2-CD1 4.41Å; F365-F384 HydrophobicContact CE2-CD1 4.12Å; F365-A391 HydrophobicContact CB-CB 4.37Å
366	T	83.6	Confident	82.7	Confident	10 Å²	10	51 Å²	51	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-37.4	179.4	-51.2	0	0	0	0	111.9	W362 L370 Y598 F599	W362-T366 VanDerWaalsContact O-CB 3.27Å; W362-T366 WeakPolarHBondContact O-CB 3.49Å; W362-T366 PolarHBondContact O-N 3.37Å; W362-T366 VanDerWaalsContact O-N 3.09Å; W362-T366 PolarHBondContact O-OG1 2.85Å; T366-L370 VanDerWaalsContact O-CB 3.26Å; T366-L370 WeakPolarHBondContact O-CB 3.29Å; T366-L370 PolarHBondContact O-N 2.94Å; T366-Y598 HydrophobicContact CG2-CD1 3.65Å; T366-Y598 HydrophobicContact CG2-CE1 4.42Å; T366-Y598 HydrophobicContact CG2-CG 3.78Å; T366-F599 HydrophobicContact CG2-CE2 3.92Å; T366-F599 HydrophobicContact CG2-CZ 4.43Å
367	T	85.1	Confident	82.7	Confident	52 Å²	52	50.2 Å²	50.2	32%	0.319	26%	0.264	S	S	.	.	H	α-helix	trans	-65.7	-46.6	177.7	-58.1	0	0	0	0	110.8	L363 P364 F365 L370 M371	L363-T367 VanDerWaalsContact O-CB 3.23Å; L363-T367 WeakPolarHBondContact O-CB 3.47Å; L363-T367 PolarHBondContact O-N 3.44Å; L363-T367 PolarHBondContact O-OG1 3.28Å; P364-T367 PolarHBondContact O-N 2.99Å; F365-T367 VanDerWaalsContact C-N 3.3Å; F365-T367 PolarHBondContact O-N 2.62Å; T367-L370 PolarHBondContact O-N 3.35Å; T367-M371 HydrophobicContact CG2-CE 4.46Å; T367-M371 HydrophobicContact CG2-CG 4.32Å; T367-M371 WeakPolarHBondContact O-CB 3.49Å; T367-M371 WeakPolarHBondContact O-CG 3.46Å; T367-M371 PolarHBondContact O-N 2.88Å
368	L	84.9	Confident	82.4	Confident	29 Å²	29	57.1 Å²	57.1	15%	0.152	30%	0.299	C	S	.	.	H	α-helix	trans	-63.6	-45.3	177.5	-68.4	176.8	0	0	0	112.3	P364 F365 L370 M371 E372 F379 I383 F384 T387	P364-L368 WeakPolarHBondContact O-CG 3.13Å; P364-L368 PolarHBondContact O-N 2.72Å; F365-L368 PolarHBondContact O-N 2.7Å; L368-L370 VanDerWaalsContact C-N 3.3Å; L368-L370 PolarHBondContact O-N 3.14Å; L368-M371 PolarHBondContact O-N 2.86Å; L368-M371 VanDerWaalsContact O-N 3.16Å; L368-E372 WeakPolarHBondContact O-CB 3.5Å; L368-E372 PolarHBondContact O-N 3.06Å; L368-F379 HydrophobicContact CD2-CD1 3.96Å; L368-F379 HydrophobicContact CD2-CD2 4.29Å; L368-F379 HydrophobicContact CD2-CE1 3.77Å; L368-F379 HydrophobicContact CD2-CE2 4.11Å; L368-F379 HydrophobicContact CD2-CG 4.22Å; L368-F379 HydrophobicContact CD2-CZ 3.85Å; L368-I383 HydrophobicContact CD1-CG2 3.54Å; L368-F384 HydrophobicContact CB-CD1 4.43Å; L368-F384 HydrophobicContact CB-CE1 3.91Å; L368-F384 HydrophobicContact CB-CZ 4.38Å; L368-T387 HydrophobicContact CD1-CG2 3.68Å
369	Y	82	Confident	82.1	Confident	39 Å²	39	59.6 Å²	59.6	15%	0.153	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-33.5	179.1	-176.6	-99.1	0	0	0	112.6	F365 Y585 R590 S594	F365-Y369 WeakPolarHBondContact O-CB 3.4Å; F365-Y369 PolarHBondContact O-N 3.38Å; Y369-Y585 HydrophobicContact CE2-CD2 4.31Å; Y369-Y585 HydrophobicContact CE2-CE2 4.34Å; Y369-Y585 VanDerWaalsContact OH-CD2 3.25Å; Y369-Y585 WeakPolarHBondContact OH-CD2 3.42Å; Y369-Y585 VanDerWaalsContact OH-CE2 3.24Å; Y369-Y585 WeakPolarHBondContact OH-CE2 3.29Å; Y369-R590 HydrophobicContact CE1-CB 4.13Å; Y369-R590 HydrophobicContact CE1-CG 4.28Å; Y369-R590 HydrophobicContact CE2-CG 4.33Å; Y369-S594 WeakPolarHBondContact CD1-OG 3.23Å
370	L	84.4	Confident	81.7	Confident	29 Å²	29	61 Å²	61	15%	0.152	32%	0.321	C	S	.	.	H	α-helix	trans	-73.7	-39.7	171.3	-177.6	62.3	0	0	0	112.3	T366 T367 L368 A373 I374 I591 F599	T366-L370 VanDerWaalsContact O-CB 3.26Å; T366-L370 WeakPolarHBondContact O-CB 3.29Å; T366-L370 PolarHBondContact O-N 2.94Å; T367-L370 PolarHBondContact O-N 3.35Å; L368-L370 VanDerWaalsContact C-N 3.3Å; L368-L370 PolarHBondContact O-N 3.14Å; L370-A373 WeakPolarHBondContact O-CB 3.3Å; L370-A373 PolarHBondContact O-N 3.37Å; L370-A373 VanDerWaalsContact O-N 3.15Å; L370-I374 HydrophobicContact CD1-CD1 4.01Å; L370-I374 HydrophobicContact CD1-CG1 4.27Å; L370-I374 HydrophobicContact CD2-CD1 4.29Å; L370-I374 HydrophobicContact CG-CD1 3.78Å; L370-I374 HydrophobicContact CG-CG1 4.38Å; L370-I374 WeakPolarHBondContact O-CG1 3.21Å; L370-I374 PolarHBondContact O-N 2.96Å; L370-I591 HydrophobicContact CD1-CG1 4.25Å; L370-F599 HydrophobicContact CD2-CE2 3.89Å; L370-F599 HydrophobicContact CD2-CZ 4.05Å
371	M	84.3	Confident	80.9	Confident	83 Å²	83	59.8 Å²	59.8	41%	0.409	31%	0.313	S	S	.	.	H	α-helix	trans	-64.6	-43	177.2	-72.9	-66.5	166.7	0	0	111.6	T367 L368 A373 I374 C375 F379	T367-M371 HydrophobicContact CG2-CE 4.46Å; T367-M371 HydrophobicContact CG2-CG 4.32Å; T367-M371 WeakPolarHBondContact O-CB 3.49Å; T367-M371 WeakPolarHBondContact O-CG 3.46Å; T367-M371 PolarHBondContact O-N 2.88Å; L368-M371 PolarHBondContact O-N 2.86Å; L368-M371 VanDerWaalsContact O-N 3.16Å; M371-A373 PolarHBondContact O-N 3.37Å; M371-A373 VanDerWaalsContact O-N 3.11Å; M371-I374 PolarHBondContact O-N 3.11Å; M371-C375 PolarHBondContact O-N 3.45Å; M371-C375 PolarHBondContact O-SG 2.9Å; M371-F379 HydrophobicContact CB-CE2 3.9Å; M371-F379 HydrophobicContact CB-CZ 4Å
372	E	82	Confident	80.1	Confident	34 Å²	34	60 Å²	60	16%	0.159	32%	0.324	C	S	.	.	H	α-helix	trans	-58.8	-23.7	174.1	-150.8	-143.3	143	0	0	112.4	L368 C377 F379 F384 R590	L368-E372 WeakPolarHBondContact O-CB 3.5Å; L368-E372 PolarHBondContact O-N 3.06Å; E372-C377 VanDerWaalsContact CG-O 3.23Å; E372-C377 WeakPolarHBondContact CG-O 3.32Å; E372-F379 HydrophobicContact CB-CD2 4.27Å; E372-F379 HydrophobicContact CB-CE2 4.36Å; E372-F379 HydrophobicContact CG-CD2 4.36Å; E372-F384 HydrophobicContact CB-CZ 4.03Å; E372-F384 HydrophobicContact CG-CE2 4.3Å; E372-F384 HydrophobicContact CG-CZ 4.09Å; E372-F384 VanDerWaalsContact OE2-CZ 3.3Å; E372-F384 WeakPolarHBondContact OE2-CZ 3.39Å; E372-R590 IonicContact OE1-CZ 3.69Å; E372-R590 IonicContact OE1-NH1 3.74Å; E372-R590 PolarHBondContact OE1-NH1 3.47Å; E372-R590 IonicContact OE1-NH2 3Å; E372-R590 PolarHBondContact OE1-NH2 2.87Å; E372-R590 IonicContact OE2-CZ 3.53Å; E372-R590 IonicContact OE2-NE 2.62Å; E372-R590 IonicContact OE2-NH1 2.72Å; E372-R590 PolarHBondContact OE2-NH1 2.88Å; E372-R590 IonicContact OE2-NH2 3.82Å; E372-R590 PolarHBondContact OE2-NH2 3.11Å
373	A	80.3	Confident	79.7	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.008	34%	0.338	C	S	.	.	H	α-helix	trans	-86.1	-39.3	172	0	0	0	0	0	113.2	L370 M371 K587 R590 I591	L370-A373 WeakPolarHBondContact O-CB 3.3Å; L370-A373 PolarHBondContact O-N 3.37Å; L370-A373 VanDerWaalsContact O-N 3.15Å; M371-A373 PolarHBondContact O-N 3.37Å; M371-A373 VanDerWaalsContact O-N 3.11Å; A373-K587 WeakPolarHBondContact O-CD 3.46Å; A373-K587 WeakPolarHBondContact O-CE 3.19Å; A373-K587 WeakPolarHBondContact O-CG 3.27Å; A373-K587 PolarHBondContact O-NZ 3.34Å; A373-R590 HydrophobicContact CB-CB 3.53Å; A373-R590 HydrophobicContact CB-CG 4.38Å; A373-I591 HydrophobicContact CB-CG1 4Å
374	I	83	Confident	79.1	Confident	93 Å²	93	60.4 Å²	60.4	48%	0.477	33%	0.326	S	S	.	.	H	α-helix	trans	-75	-58	-177.1	-68.2	173.3	0	0	0	111.1	L370 M371 K587	L370-I374 HydrophobicContact CD1-CD1 4.01Å; L370-I374 HydrophobicContact CD1-CG1 4.27Å; L370-I374 HydrophobicContact CD2-CD1 4.29Å; L370-I374 HydrophobicContact CG-CD1 3.78Å; L370-I374 HydrophobicContact CG-CG1 4.38Å; L370-I374 WeakPolarHBondContact O-CG1 3.21Å; L370-I374 PolarHBondContact O-N 2.96Å; M371-I374 PolarHBondContact O-N 3.11Å; I374-K587 PolarHBondContact O-NZ 3.28Å
375	C	82.8	Confident	78.3	Confident	61 Å²	61	59.1 Å²	59.1	41%	0.412	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-3.5	-173.2	64.9	0	0	0	0	114.5	M371 C377	M371-C375 PolarHBondContact O-N 3.45Å; M371-C375 PolarHBondContact O-SG 2.9Å; C375-C377 HydrophobicContact CB-CB 4.43Å; C375-C377 WeakPolarHBondContact CB-SG 3.3Å; C375-C377 PolarHBondContact O-N 3.04Å; C375-C377 VanDerWaalsContact O-N 3.08Å; C375-C377 WeakPolarHBondContact SG-CB 3.38Å; C375-C377 CovalentContact SG-SG 2.04Å; C375-C377 PolarHBondContact SG-SG 3.46Å
376	E	72.5	Confident	77.7	Confident	145 Å²	145	57.4 Å²	57.4	68%	0.678	32%	0.315	S	S	*	.			trans	56.8	22.8	-175.6	-67.9	163.5	-144.3	0	0	112.8	K587	E376-K587 IonicContact OE1-NZ 3.96Å; E376-K587 PolarHBondContact OE1-NZ 3.11Å
377	C	78.6	Confident	77.5	Confident	50 Å²	50	57.7 Å²	57.7	34%	0.338	32%	0.316	S	S	.	.			trans	-69.1	127.4	179.9	-57.2	0	0	0	0	111.7	E372 C375 F379	E372-C377 VanDerWaalsContact CG-O 3.23Å; E372-C377 WeakPolarHBondContact CG-O 3.32Å; C375-C377 HydrophobicContact CB-CB 4.43Å; C375-C377 WeakPolarHBondContact CB-SG 3.3Å; C375-C377 PolarHBondContact O-N 3.04Å; C375-C377 VanDerWaalsContact O-N 3.08Å; C375-C377 WeakPolarHBondContact SG-CB 3.38Å; C375-C377 CovalentContact SG-SG 2.04Å; C375-C377 PolarHBondContact SG-SG 3.46Å; C377-F379 HydrophobicContact CB-CE2 4.03Å; C377-F379 HydrophobicContact CB-CZ 4.06Å; C377-F379 PolarHBondContact O-N 3.31Å
378	L	72.9	Confident	77.2	Confident	165 Å²	165	55.6 Å²	55.6	86%	0.864	31%	0.305	S	S	*	.			trans	-82.3	100.4	173.6	-171.6	72.4	0	0	0	110.8
379	F	75.1	Confident	76.8	Confident	55 Å²	55	54.6 Å²	54.6	24%	0.241	30%	0.3	C	S	.	.			trans	-81.7	145.9	168.4	-59.3	-75.1	0	0	0	110.9	L368 M371 E372 C377 F384	L368-F379 HydrophobicContact CD2-CD1 3.96Å; L368-F379 HydrophobicContact CD2-CD2 4.29Å; L368-F379 HydrophobicContact CD2-CE1 3.77Å; L368-F379 HydrophobicContact CD2-CE2 4.11Å; L368-F379 HydrophobicContact CD2-CG 4.22Å; L368-F379 HydrophobicContact CD2-CZ 3.85Å; M371-F379 HydrophobicContact CB-CE2 3.9Å; M371-F379 HydrophobicContact CB-CZ 4Å; E372-F379 HydrophobicContact CB-CD2 4.27Å; E372-F379 HydrophobicContact CB-CE2 4.36Å; E372-F379 HydrophobicContact CG-CD2 4.36Å; C377-F379 HydrophobicContact CB-CE2 4.03Å; C377-F379 HydrophobicContact CB-CZ 4.06Å; C377-F379 PolarHBondContact O-N 3.31Å; F379-F384 HydrophobicContact CB-CD2 4.13Å; F379-F384 HydrophobicContact CB-CE2 3.81Å; F379-F384 HydrophobicContact CD2-CE2 4.21Å; F379-F384 HydrophobicContact CD2-CZ 4.21Å; F379-F384 HydrophobicContact CG-CE2 4.5Å
380	S	74.7	Confident	76.7	Confident	72 Å²	72	56 Å²	56	50%	0.503	31%	0.309	S	S	.	.			trans	-62.7	141	174.3	171.1	0	0	0	0	111.3	A382 I383 F384	S380-A382 PolarHBondContact O-N 2.93Å; S380-A382 VanDerWaalsContact O-N 3.16Å; S380-A382 PolarHBondContact OG-N 3.35Å; S380-I383 WeakPolarHBondContact O-CB 3.26Å; S380-I383 PolarHBondContact O-N 3.37Å; S380-F384 PolarHBondContact O-N 3.21Å
381	E	67.9	Low	76.4	Confident	80 Å²	80	54.7 Å²	54.7	37%	0.374	30%	0.302	S	S	.	.	H	α-helix	trans	-55.6	-33.6	178.4	-175.9	169.4	-178.4	0	0	111.7	I383 F384 M385 R491	E381-I383 PolarHBondContact O-N 2.93Å; E381-F384 PolarHBondContact O-N 3.48Å; E381-M385 HydrophobicContact CG-CG 4.09Å; E381-M385 WeakPolarHBondContact O-CB 3.3Å; E381-M385 WeakPolarHBondContact O-CG 3.38Å; E381-M385 PolarHBondContact O-N 3.5Å; E381-R491 IonicContact OE1-CZ 3.2Å; E381-R491 IonicContact OE1-NH1 2.71Å; E381-R491 PolarHBondContact OE1-NH1 3.39Å
382	A	67.9	Low	76.2	Confident	55 Å²	55	51.9 Å²	51.9	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-59.9	-31.1	175.2	0	0	0	0	0	113.5	S380 G386	S380-A382 PolarHBondContact O-N 2.93Å; S380-A382 VanDerWaalsContact O-N 3.16Å; S380-A382 PolarHBondContact OG-N 3.35Å; A382-G386 PolarHBondContact O-N 3.19Å
383	I	75	Confident	76	Confident	81 Å²	81	52.8 Å²	52.8	42%	0.415	29%	0.293	S	S	.	.	H	α-helix	trans	-78.1	-42	178.9	-49.4	174.8	0	0	0	110	L368 S380 E381 M385 G386 T387	L368-I383 HydrophobicContact CD1-CG2 3.54Å; S380-I383 WeakPolarHBondContact O-CB 3.26Å; S380-I383 PolarHBondContact O-N 3.37Å; E381-I383 PolarHBondContact O-N 2.93Å; I383-M385 VanDerWaalsContact C-N 3.33Å; I383-G386 PolarHBondContact O-N 3.01Å; I383-T387 WeakPolarHBondContact O-CB 3.4Å; I383-T387 WeakPolarHBondContact O-CG2 3.49Å; I383-T387 PolarHBondContact O-N 2.99Å; I383-T387 PolarHBondContact O-OG1 2.88Å
384	F	72.6	Confident	75.9	Confident	37 Å²	37	53 Å²	53	16%	0.162	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-40.4	171.9	-87.5	-63.1	0	0	0	112.1	F365 L368 E372 F379 S380 E381 T387 G388	F365-F384 HydrophobicContact CD2-CD1 4.41Å; F365-F384 HydrophobicContact CE2-CD1 4.12Å; L368-F384 HydrophobicContact CB-CD1 4.43Å; L368-F384 HydrophobicContact CB-CE1 3.91Å; L368-F384 HydrophobicContact CB-CZ 4.38Å; E372-F384 HydrophobicContact CB-CZ 4.03Å; E372-F384 HydrophobicContact CG-CE2 4.3Å; E372-F384 HydrophobicContact CG-CZ 4.09Å; E372-F384 VanDerWaalsContact OE2-CZ 3.3Å; E372-F384 WeakPolarHBondContact OE2-CZ 3.39Å; F379-F384 HydrophobicContact CB-CD2 4.13Å; F379-F384 HydrophobicContact CB-CE2 3.81Å; F379-F384 HydrophobicContact CD2-CE2 4.21Å; F379-F384 HydrophobicContact CD2-CZ 4.21Å; F379-F384 HydrophobicContact CG-CE2 4.5Å; S380-F384 PolarHBondContact O-N 3.21Å; E381-F384 PolarHBondContact O-N 3.48Å; F384-T387 PolarHBondContact O-OG1 2.92Å; F384-G388 PolarHBondContact O-N 3.28Å
385	M	71.1	Confident	75.6	Confident	16 Å²	16	48.9 Å²	48.9	8%	0.079	27%	0.274	C	S	.	.	H	α-helix	trans	-63.8	-52.9	174.6	-73.8	-72.2	-106.5	0	0	111.5	E381 I383 T387 G388 W389 R491 Q492	E381-M385 HydrophobicContact CG-CG 4.09Å; E381-M385 WeakPolarHBondContact O-CB 3.3Å; E381-M385 WeakPolarHBondContact O-CG 3.38Å; E381-M385 PolarHBondContact O-N 3.5Å; I383-M385 VanDerWaalsContact C-N 3.33Å; M385-T387 VanDerWaalsContact C-N 3.34Å; M385-T387 PolarHBondContact O-N 3.18Å; M385-G388 PolarHBondContact O-N 3.06Å; M385-W389 PolarHBondContact O-N 3.35Å; M385-R491 HydrophobicContact CE-CB 4.16Å; M385-R491 HydrophobicContact CE-CG 3.81Å; M385-R491 PolarHBondContact SD-NH1 2.94Å; M385-R491 VanDerWaalsContact SD-NH1 3.4Å; M385-R491 PolarHBondContact SD-NH2 3.34Å; M385-Q492 HydrophobicContact CE-CB 3.93Å
386	G	71.7	Confident	75.3	Confident	19 Å²	19	47.3 Å²	47.3	20%	0.196	26%	0.261	C	S	.	.	H	α-helix	trans	-59.3	-41.8	179.3	0	0	0	0	0	113	A382 I383 W389 I390	A382-G386 PolarHBondContact O-N 3.19Å; I383-G386 PolarHBondContact O-N 3.01Å; G386-W389 PolarHBondContact O-N 3.49Å; G386-I390 WeakPolarHBondContact O-CG1 3.23Å; G386-I390 PolarHBondContact O-N 3.46Å
387	T	79.9	Confident	75.4	Confident	15 Å²	15	41.6 Å²	41.6	9%	0.092	24%	0.237	C	C	.	.	H	α-helix	trans	-73.5	-33	176.4	53.7	0	0	0	0	113.5	P364 L368 I383 F384 M385 I390 A391	P364-T387 HydrophobicContact CB-CG2 3.65Å; L368-T387 HydrophobicContact CD1-CG2 3.68Å; I383-T387 WeakPolarHBondContact O-CB 3.4Å; I383-T387 WeakPolarHBondContact O-CG2 3.49Å; I383-T387 PolarHBondContact O-N 2.99Å; I383-T387 PolarHBondContact O-OG1 2.88Å; F384-T387 PolarHBondContact O-OG1 2.92Å; M385-T387 VanDerWaalsContact C-N 3.34Å; M385-T387 PolarHBondContact O-N 3.18Å; T387-I390 PolarHBondContact O-N 3.15Å; T387-A391 PolarHBondContact O-N 3.03Å
388	G	77.5	Confident	74.9	Confident	9 Å²	9	39.3 Å²	39.3	9%	0.093	22%	0.221	C	C	.	.	H	α-helix	trans	-64.1	-41.6	170.3	0	0	0	0	0	112.1	F384 M385 I390 A391 Y392	F384-G388 PolarHBondContact O-N 3.28Å; M385-G388 PolarHBondContact O-N 3.06Å; G388-I390 VanDerWaalsContact C-N 3.35Å; G388-I390 PolarHBondContact O-N 2.83Å; G388-A391 WeakPolarHBondContact O-CB 3.37Å; G388-A391 PolarHBondContact O-N 3.37Å; G388-A391 VanDerWaalsContact O-N 3.12Å; G388-Y392 VanDerWaalsContact O-CD2 3.26Å; G388-Y392 WeakPolarHBondContact O-CD2 3.28Å; G388-Y392 PolarHBondContact O-N 3.23Å
389	W	77.8	Confident	74.7	Confident	8 Å²	8	32.5 Å²	32.5	3%	0.03	19%	0.187	C	C	.	.	H	α-helix	trans	-59.2	-43	171.7	-83	117.4	0	0	0	112.6	M385 G386 A391 Y392 L393 F438 L485 A488 I489 Q492	M385-W389 PolarHBondContact O-N 3.35Å; G386-W389 PolarHBondContact O-N 3.49Å; W389-A391 VanDerWaalsContact C-N 3.32Å; W389-A391 PolarHBondContact O-N 3.43Å; W389-Y392 HydrophobicContact CD2-CD2 4.36Å; W389-Y392 AromaticContact CE3-CD2 3.91Å; W389-Y392 HydrophobicContact CE3-CD2 3.91Å; W389-Y392 HydrophobicContact CZ3-CD2 4.26Å; W389-Y392 PolarHBondContact O-N 3.24Å; W389-L393 WeakPolarHBondContact O-CG 3.34Å; W389-L393 PolarHBondContact O-N 3.39Å; W389-F438 HydrophobicContact CB-CD1 4.36Å; W389-F438 HydrophobicContact CB-CE1 3.68Å; W389-F438 HydrophobicContact CB-CZ 4.15Å; W389-F438 AromaticContact CD2-CD1 3.4Å; W389-F438 HydrophobicContact CD2-CD1 3.4Å; W389-F438 VanDerWaalsContact CD2-CD1 3.4Å; W389-F438 AromaticContact CD2-CE1 3.65Å; W389-F438 HydrophobicContact CD2-CE1 3.65Å; W389-F438 AromaticContact CD2-CG 3.95Å; W389-F438 HydrophobicContact CD2-CG 3.95Å; W389-F438 HydrophobicContact CD2-CZ 4.35Å; W389-F438 AromaticContact CE2-CD1 3.9Å; W389-F438 AromaticContact CE2-CG 3.94Å; W389-F438 HydrophobicContact CE3-CB 4.44Å; W389-F438 AromaticContact CE3-CD1 3.37Å; W389-F438 HydrophobicContact CE3-CD1 3.37Å; W389-F438 AromaticContact CE3-CE1 3.9Å; W389-F438 HydrophobicContact CE3-CE1 3.9Å; W389-F438 HydrophobicContact CE3-CG 4.11Å; W389-F438 AromaticContact CG-CD1 3.85Å; W389-F438 HydrophobicContact CG-CD1 3.85Å; W389-F438 AromaticContact CG-CE1 3.55Å; W389-F438 HydrophobicContact CG-CE1 3.55Å; W389-F438 AromaticContact CG-CZ 3.96Å; W389-F438 HydrophobicContact CG-CZ 3.96Å; W389-F438 HydrophobicContact CH2-CB 3.9Å; W389-F438 HydrophobicContact CH2-CD1 4.34Å; W389-F438 HydrophobicContact CH2-CG 4.3Å; W389-F438 HydrophobicContact CZ2-CB 4.01Å; W389-F438 HydrophobicContact CZ2-CD1 4.35Å; W389-F438 HydrophobicContact CZ2-CG 4.13Å; W389-F438 HydrophobicContact CZ3-CB 4.11Å; W389-F438 AromaticContact CZ3-CD1 3.86Å; W389-F438 HydrophobicContact CZ3-CD1 3.86Å; W389-F438 HydrophobicContact CZ3-CG 4.28Å; W389-L485 HydrophobicContact CH2-CD2 4.41Å; W389-L485 HydrophobicContact CZ3-CD2 4.05Å; W389-A488 HydrophobicContact CH2-CB 4.26Å; W389-A488 HydrophobicContact CZ2-CB 4.05Å; W389-I489 HydrophobicContact CH2-CG1 3.72Å; W389-I489 HydrophobicContact CZ2-CG1 4.12Å; W389-Q492 HydrophobicContact CZ2-CB 4.43Å; W389-Q492 VanDerWaalsContact NE1-OE1 3.1Å
390	I	79.4	Confident	74.5	Confident	67 Å²	67	34.8 Å²	34.8	34%	0.344	20%	0.197	S	C	.	.	H	α-helix	trans	-59	-43.2	173	-68.2	166.2	0	0	0	110.9	F361 P364 G386 T387 G388 Y392 L393	F361-I390 WeakPolarHBondContact CB-O 3.29Å; F361-I390 HydrophobicContact CD1-CG2 3.95Å; P364-I390 HydrophobicContact CG-CG2 4.47Å; G386-I390 WeakPolarHBondContact O-CG1 3.23Å; G386-I390 PolarHBondContact O-N 3.46Å; T387-I390 PolarHBondContact O-N 3.15Å; G388-I390 VanDerWaalsContact C-N 3.35Å; G388-I390 PolarHBondContact O-N 2.83Å; I390-Y392 VanDerWaalsContact C-N 3.35Å; I390-Y392 PolarHBondContact O-N 3.14Å; I390-L393 VanDerWaalsContact O-CB 3.3Å; I390-L393 WeakPolarHBondContact O-CB 3.31Å; I390-L393 PolarHBondContact O-N 3.36Å; I390-L393 VanDerWaalsContact O-N 3.09Å
391	A	78.2	Confident	74.3	Confident	2 Å²	2	31.9 Å²	31.9	2%	0.017	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-37.7	176.9	0	0	0	0	0	113	F361 W362 F365 T387 G388 W389 L393 N394	F361-A391 WeakPolarHBondContact O-CA 3.49Å; F361-A391 PolarHBondContact O-N 3.26Å; W362-A391 HydrophobicContact CD2-CB 3.9Å; W362-A391 HydrophobicContact CE3-CB 4.18Å; W362-A391 HydrophobicContact CG-CB 4.25Å; W362-A391 HydrophobicContact CH2-CB 4.36Å; W362-A391 HydrophobicContact CZ2-CB 4.12Å; W362-A391 HydrophobicContact CZ3-CB 4.4Å; W362-A391 PolarHBondContact NE1-O 2.95Å; F365-A391 HydrophobicContact CB-CB 4.37Å; T387-A391 PolarHBondContact O-N 3.03Å; G388-A391 WeakPolarHBondContact O-CB 3.37Å; G388-A391 PolarHBondContact O-N 3.37Å; G388-A391 VanDerWaalsContact O-N 3.12Å; W389-A391 VanDerWaalsContact C-N 3.32Å; W389-A391 PolarHBondContact O-N 3.43Å; A391-L393 VanDerWaalsContact C-N 3.28Å; A391-L393 PolarHBondContact O-N 2.85Å; A391-N394 VanDerWaalsContact O-CB 3.24Å; A391-N394 WeakPolarHBondContact O-CB 3.41Å; A391-N394 PolarHBondContact O-N 3.33Å
392	Y	80.1	Confident	74.1	Confident	24 Å²	24	30.2 Å²	30.2	9%	0.094	17%	0.166	C	C	.	.	H	α-helix	trans	-67	-22.6	173.6	-61	-45.9	0	0	0	113.7	G388 W389 I390 N394 S395 V480 V484 L485 D512	G388-Y392 VanDerWaalsContact O-CD2 3.26Å; G388-Y392 WeakPolarHBondContact O-CD2 3.28Å; G388-Y392 PolarHBondContact O-N 3.23Å; W389-Y392 HydrophobicContact CD2-CD2 4.36Å; W389-Y392 AromaticContact CE3-CD2 3.91Å; W389-Y392 HydrophobicContact CE3-CD2 3.91Å; W389-Y392 HydrophobicContact CZ3-CD2 4.26Å; W389-Y392 PolarHBondContact O-N 3.24Å; I390-Y392 VanDerWaalsContact C-N 3.35Å; I390-Y392 PolarHBondContact O-N 3.14Å; Y392-N394 PolarHBondContact O-N 2.74Å; Y392-S395 PolarHBondContact O-N 3.26Å; Y392-S395 VanDerWaalsContact O-N 3.15Å; Y392-V480 HydrophobicContact CD1-CG1 4.26Å; Y392-V480 HydrophobicContact CE1-CG1 4.43Å; Y392-V484 HydrophobicContact CE1-CG1 4.19Å; Y392-V484 WeakPolarHBondContact OH-CG1 3.48Å; Y392-L485 HydrophobicContact CD1-CD2 4.03Å; Y392-L485 HydrophobicContact CD2-CD2 3.58Å; Y392-L485 HydrophobicContact CE1-CD2 4.31Å; Y392-L485 HydrophobicContact CE2-CD2 3.91Å; Y392-L485 HydrophobicContact CG-CD2 3.67Å; Y392-D512 PolarHBondContact OH-OD1 2.82Å
393	L	76.2	Confident	74	Confident	54 Å²	54	30.1 Å²	30.1	28%	0.283	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.9	174.8	-53.8	-179	0	0	0	112.5	F361 W389 I390 A391 S395 I396 C397	F361-L393 HydrophobicContact CD1-CB 4.36Å; F361-L393 HydrophobicContact CE1-CB 4.46Å; W389-L393 WeakPolarHBondContact O-CG 3.34Å; W389-L393 PolarHBondContact O-N 3.39Å; I390-L393 VanDerWaalsContact O-CB 3.3Å; I390-L393 WeakPolarHBondContact O-CB 3.31Å; I390-L393 PolarHBondContact O-N 3.36Å; I390-L393 VanDerWaalsContact O-N 3.09Å; A391-L393 VanDerWaalsContact C-N 3.28Å; A391-L393 PolarHBondContact O-N 2.85Å; L393-S395 PolarHBondContact O-N 3.34Å; L393-I396 HydrophobicContact CB-CD1 4.21Å; L393-I396 HydrophobicContact CD2-CD1 3.49Å; L393-I396 VanDerWaalsContact CD2-CD1 3.49Å; L393-I396 HydrophobicContact CG-CD1 4.44Å; L393-I396 VanDerWaalsContact O-CB 3.27Å; L393-I396 WeakPolarHBondContact O-CB 3.06Å; L393-I396 PolarHBondContact O-N 3.17Å; L393-C397 PolarHBondContact O-N 3.02Å
394	N	79.6	Confident	73.4	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-51.7	-39	172.9	-179.7	70.9	0	0	0	112.5	F358 F361 A391 Y392 I396 C397	F358-N394 WeakPolarHBondContact CA-OD1 3.25Å; F358-N394 PolarHBondContact N-OD1 3.21Å; F361-N394 HydrophobicContact CB-CB 4.21Å; F361-N394 HydrophobicContact CD2-CB 4.26Å; A391-N394 VanDerWaalsContact O-CB 3.24Å; A391-N394 WeakPolarHBondContact O-CB 3.41Å; A391-N394 PolarHBondContact O-N 3.33Å; Y392-N394 PolarHBondContact O-N 2.74Å; N394-I396 VanDerWaalsContact C-N 3.26Å; N394-I396 PolarHBondContact O-N 3.42Å; N394-C397 PolarHBondContact O-N 3.03Å
395	S	77.1	Confident	72.8	Confident	8 Å²	8	33.4 Å²	33.4	6%	0.056	18%	0.181	C	C	.	.	H	α-helix	trans	-72.7	-15.9	-179.6	-54.3	0	0	0	0	113.8	Y392 L393 N449	Y392-S395 PolarHBondContact O-N 3.26Å; Y392-S395 VanDerWaalsContact O-N 3.15Å; L393-S395 PolarHBondContact O-N 3.34Å; S395-N449 PolarHBondContact O-ND2 3.13Å
396	I	75.1	Confident	71.9	Confident	27 Å²	27	37.7 Å²	37.7	14%	0.138	20%	0.204	C	C	.	.	H	α-helix	trans	-77.6	-38.1	172.4	-59	170.2	0	0	0	110.4	L393 N394 N398 P399 F400 I444 I445	L393-I396 HydrophobicContact CB-CD1 4.21Å; L393-I396 HydrophobicContact CD2-CD1 3.49Å; L393-I396 VanDerWaalsContact CD2-CD1 3.49Å; L393-I396 HydrophobicContact CG-CD1 4.44Å; L393-I396 VanDerWaalsContact O-CB 3.27Å; L393-I396 WeakPolarHBondContact O-CB 3.06Å; L393-I396 PolarHBondContact O-N 3.17Å; N394-I396 VanDerWaalsContact C-N 3.26Å; N394-I396 PolarHBondContact O-N 3.42Å; I396-N398 VanDerWaalsContact C-N 3.31Å; I396-N398 PolarHBondContact O-N 3.23Å; I396-P399 WeakPolarHBondContact O-CD 3.33Å; I396-F400 HydrophobicContact CG2-CD2 4.18Å; I396-F400 HydrophobicContact CG2-CE2 3.72Å; I396-F400 VanDerWaalsContact O-CD2 3.29Å; I396-F400 WeakPolarHBondContact O-CD2 3.2Å; I396-I444 HydrophobicContact CG2-CG2 3.96Å; I396-I445 HydrophobicContact CB-CG1 4.48Å; I396-I445 HydrophobicContact CD1-CD1 4.48Å; I396-I445 HydrophobicContact CD1-CG1 4.49Å; I396-I445 HydrophobicContact CG1-CD1 3.82Å; I396-I445 HydrophobicContact CG1-CG1 3.45Å; I396-I445 VanDerWaalsContact CG1-CG1 3.45Å
397	C	74.4	Confident	70.6	Confident	26 Å²	26	40.5 Å²	40.5	18%	0.176	22%	0.218	C	C	.	.	H	α-helix	trans	-66.9	-32	-174	-64.5	0	0	0	0	112.7	C357 F361 L393 N394 F400 I401	C357-C397 HydrophobicContact CB-CB 4.43Å; F361-C397 WeakPolarHBondContact CE2-SG 3.28Å; L393-C397 PolarHBondContact O-N 3.02Å; N394-C397 PolarHBondContact O-N 3.03Å; C397-F400 PolarHBondContact O-N 2.8Å; C397-F400 VanDerWaalsContact O-N 3.15Å; C397-I401 HydrophobicContact CB-CD1 3.75Å; C397-I401 HydrophobicContact CB-CG1 4.44Å; C397-I401 WeakPolarHBondContact O-CB 3.34Å; C397-I401 WeakPolarHBondContact O-CD1 3.44Å; C397-I401 WeakPolarHBondContact O-CG1 3.47Å; C397-I401 PolarHBondContact O-N 3.46Å
398	N	69.8	Low	68.8	Low	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-53.6	-54.3	-176.8	-77.8	-26.7	0	0	0	113.4	I396 F400 I401 Y402 D477	I396-N398 VanDerWaalsContact C-N 3.31Å; I396-N398 PolarHBondContact O-N 3.23Å; N398-F400 PolarHBondContact O-N 3.22Å; N398-I401 PolarHBondContact O-N 3.28Å; N398-Y402 HydrophobicContact CB-CD2 4.42Å; N398-Y402 HydrophobicContact CB-CE2 4.07Å; N398-Y402 WeakPolarHBondContact O-CD2 3.48Å; N398-Y402 PolarHBondContact O-N 3.29Å; N398-D477 PolarHBondContact ND2-OD2 3.01Å
399	P	67.8	Low	67	Low	23 Å²	23	53.3 Å²	53.3	15%	0.149	27%	0.271	C	S	.	.	H	α-helix	trans	-47.5	-51.4	170.1	-31.6	34.4	0	0	0	115.3	I396 A403 I452	I396-P399 WeakPolarHBondContact O-CD 3.33Å; P399-A403 WeakPolarHBondContact O-CB 3.44Å; P399-A403 PolarHBondContact O-N 3.03Å; P399-I452 HydrophobicContact CG-CD1 4.06Å
400	F	71.3	Confident	65.3	Low	102 Å²	102	56.6 Å²	56.6	45%	0.447	29%	0.292	S	S	.	.	H	α-helix	trans	-65.8	-42.7	-179	-65.3	-69.1	0	0	0	112.2	I396 C397 N398 Y402 A403 F404	I396-F400 HydrophobicContact CG2-CD2 4.18Å; I396-F400 HydrophobicContact CG2-CE2 3.72Å; I396-F400 VanDerWaalsContact O-CD2 3.29Å; I396-F400 WeakPolarHBondContact O-CD2 3.2Å; C397-F400 PolarHBondContact O-N 2.8Å; C397-F400 VanDerWaalsContact O-N 3.15Å; N398-F400 PolarHBondContact O-N 3.22Å; F400-Y402 PolarHBondContact O-N 3.22Å; F400-A403 PolarHBondContact O-N 3.2Å; F400-F404 HydrophobicContact CB-CD2 4.17Å; F400-F404 HydrophobicContact CB-CE2 4.15Å; F400-F404 AromaticContact CD1-CE2 3.93Å; F400-F404 HydrophobicContact CD1-CE2 3.93Å; F400-F404 WeakPolarHBondContact O-CD2 3.48Å; F400-F404 PolarHBondContact O-N 3.44Å
401	I	70.2	Confident	63.1	Low	12 Å²	12	58.9 Å²	58.9	6%	0.062	31%	0.305	C	S	.	.	H	α-helix	trans	-62.6	-44.5	180	-66.5	164	0	0	0	110.6	T350 L353 V354 C397 N398 C405	T350-I401 HydrophobicContact CG2-CG2 3.68Å; L353-I401 HydrophobicContact CD2-CD1 3.7Å; L353-I401 HydrophobicContact CD2-CG1 3.78Å; V354-I401 HydrophobicContact CG2-CB 4.43Å; V354-I401 HydrophobicContact CG2-CD1 3.95Å; V354-I401 HydrophobicContact CG2-CG2 3.71Å; C397-I401 HydrophobicContact CB-CD1 3.75Å; C397-I401 HydrophobicContact CB-CG1 4.44Å; C397-I401 WeakPolarHBondContact O-CB 3.34Å; C397-I401 WeakPolarHBondContact O-CD1 3.44Å; C397-I401 WeakPolarHBondContact O-CG1 3.47Å; C397-I401 PolarHBondContact O-N 3.46Å; N398-I401 PolarHBondContact O-N 3.28Å; I401-C405 WeakPolarHBondContact O-CB 3.46Å; I401-C405 PolarHBondContact O-N 3Å; I401-C405 PolarHBondContact O-SG 3.29Å
402	Y	63.4	Low	61.3	Low	44 Å²	44	67.1 Å²	67.1	17%	0.173	34%	0.343	C	S	.	.	H	α-helix	trans	-71.7	-30.8	178.5	-65.1	-53.1	0	0	0	113.3	T350 N398 F400 N406 I452 I470 L473	T350-Y402 HydrophobicContact CG2-CD1 4.06Å; T350-Y402 HydrophobicContact CG2-CE1 4.05Å; N398-Y402 HydrophobicContact CB-CD2 4.42Å; N398-Y402 HydrophobicContact CB-CE2 4.07Å; N398-Y402 WeakPolarHBondContact O-CD2 3.48Å; N398-Y402 PolarHBondContact O-N 3.29Å; F400-Y402 PolarHBondContact O-N 3.22Å; Y402-N406 WeakPolarHBondContact O-CB 3.38Å; Y402-I452 HydrophobicContact CD2-CD1 3.98Å; Y402-I470 HydrophobicContact CD1-CD1 4.25Å; Y402-I470 HydrophobicContact CD2-CG2 4.12Å; Y402-I470 HydrophobicContact CE1-CD1 3.85Å; Y402-I470 HydrophobicContact CE1-CG1 3.94Å; Y402-I470 HydrophobicContact CE1-CG2 4.28Å; Y402-I470 HydrophobicContact CE2-CG2 3.81Å; Y402-I470 HydrophobicContact CG-CG2 4.5Å; Y402-L473 WeakPolarHBondContact OH-CD2 3.46Å
403	A	65	Low	59.3	Low	53 Å²	53	70 Å²	70	44%	0.438	37%	0.367	S	S	.	.	H	α-helix	trans	-65.4	-63	171	0	0	0	0	0	111.4	P399 F400 C405 N406 T407	P399-A403 WeakPolarHBondContact O-CB 3.44Å; P399-A403 PolarHBondContact O-N 3.03Å; F400-A403 PolarHBondContact O-N 3.2Å; A403-C405 PolarHBondContact O-N 3.26Å; A403-N406 PolarHBondContact O-N 3.28Å; A403-T407 PolarHBondContact O-N 3.48Å; A403-T407 PolarHBondContact O-OG1 3Å
404	F	63.9	Low	57.6	Low	153 Å²	153	70.7 Å²	70.7	67%	0.671	37%	0.374	S	S	*	.	H	α-helix	trans	-70.5	-26.8	-171.8	-65.4	-59.5	0	0	0	114.3	F400 N406 T407	F400-F404 HydrophobicContact CB-CD2 4.17Å; F400-F404 HydrophobicContact CB-CE2 4.15Å; F400-F404 AromaticContact CD1-CE2 3.93Å; F400-F404 HydrophobicContact CD1-CE2 3.93Å; F400-F404 WeakPolarHBondContact O-CD2 3.48Å; F400-F404 PolarHBondContact O-N 3.44Å; F404-N406 VanDerWaalsContact C-N 3.3Å; F404-N406 PolarHBondContact O-N 3.26Å; F404-T407 PolarHBondContact O-OG1 2.99Å
405	C	58.7	Low	55.8	Low	34 Å²	34	78 Å²	78	23%	0.23	41%	0.407	C	S	.	.	H	α-helix	trans	-74.9	-18.8	175.2	-71.4	0	0	0	0	113.9	T350 I401 A403	T350-C405 HydrophobicContact CG2-CB 3.88Å; T350-C405 WeakPolarHBondContact OG1-CB 3.42Å; T350-C405 PolarHBondContact OG1-SG 3.09Å; I401-C405 WeakPolarHBondContact O-CB 3.46Å; I401-C405 PolarHBondContact O-N 3Å; I401-C405 PolarHBondContact O-SG 3.29Å; A403-C405 PolarHBondContact O-N 3.26Å
406	N	52.9	Low	54	Low	106 Å²	106	84.9 Å²	84.9	57%	0.567	44%	0.443	S	S	*	.	H	α-helix	trans	-93.9	-28.6	-174.8	-165.1	34.8	0	0	0	112.3	Y402 A403 F404 K408	Y402-N406 WeakPolarHBondContact O-CB 3.38Å; A403-N406 PolarHBondContact O-N 3.28Å; F404-N406 VanDerWaalsContact C-N 3.3Å; F404-N406 PolarHBondContact O-N 3.26Å; N406-K408 VanDerWaalsContact C-N 3.34Å; N406-K408 PolarHBondContact O-N 3.19Å
407	T	44.1	Very low	52.6	Low	79 Å²	79	88 Å²	88	49%	0.485	47%	0.468	S	S	.	.			trans	-73.3	77.4	176	32.9	0	0	0	0	112.8	A403 F404	A403-T407 PolarHBondContact O-N 3.48Å; A403-T407 PolarHBondContact O-OG1 3Å; F404-T407 PolarHBondContact O-OG1 2.99Å
408	K	42.1	Very low	50.8	Low	136 Å²	136	93.4 Å²	93.4	59%	0.591	49%	0.494	S	S	*	.			trans	-120.1	40.8	169	-69.9	-149.7	169.7	-118.4	0	113.9	N406	N406-K408 VanDerWaalsContact C-N 3.34Å; N406-K408 PolarHBondContact O-N 3.19Å
409	H	40	Very low	49	Very low	156 Å²	156	96.8 Å²	96.8	72%	0.722	53%	0.53	S	S	*	.	S	Bend	trans	-144.9	26.4	176.3	-74	-64.7	0	0	0	113.9
410	V	41.4	Very low	47.2	Very low	78 Å²	78	100.6 Å²	100.6	47%	0.473	56%	0.556	S	S	.	*	S	Bend	trans	-116.4	-26.3	175.4	-176.4	0	0	0	0	112.1	E412 S413 V414	V410-E412 PolarHBondContact O-N 2.99Å; V410-S413 PolarHBondContact O-N 3.48Å; V410-S413 PolarHBondContact O-OG 3.13Å; V410-V414 HydrophobicContact CG1-CG2 4.31Å
411	N	33.7	Very low	45.3	Very low	115 Å²	115	102.2 Å²	102.2	62%	0.615	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-8.9	-168.7	-60	52.9	0	0	0	115.1
412	E	41.2	Very low	43.5	Very low	174 Å²	174	105.9 Å²	105.9	81%	0.813	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-14.4	173	-76	172.2	144.4	0	0	112.8	V410	V410-E412 PolarHBondContact O-N 2.99Å
413	S	36.6	Very low	41.9	Very low	86 Å²	86	110.1 Å²	110.1	60%	0.601	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-8.8	178.8	51.6	0	0	0	0	114.8	V410	V410-S413 PolarHBondContact O-N 3.48Å; V410-S413 PolarHBondContact O-OG 3.13Å
414	V	42.3	Very low	40.2	Very low	68 Å²	68	116.4 Å²	116.4	41%	0.412	66%	0.661	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.1	-30	-179.2	178.6	0	0	0	0	112	V410 N416 S417 L418	V410-V414 HydrophobicContact CG1-CG2 4.31Å; V414-N416 PolarHBondContact O-N 3.26Å; V414-N416 VanDerWaalsContact O-N 3.11Å; V414-S417 PolarHBondContact O-N 3.19Å; V414-S417 VanDerWaalsContact O-N 3.12Å; V414-L418 HydrophobicContact CG1-CD1 4.09Å
415	H	41	Very low	38.3	Very low	156 Å²	156	114.5 Å²	114.5	72%	0.722	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-9.6	-171.8	-126.2	-59.9	0	0	0	115.5
416	N	40.2	Very low	36.8	Very low	153 Å²	153	117.6 Å²	117.6	82%	0.818	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	10.1	176.4	-69.3	-2.2	0	0	0	112.8	V414	V414-N416 PolarHBondContact O-N 3.26Å; V414-N416 VanDerWaalsContact O-N 3.11Å
417	S	43.8	Very low	35.6	Very low	93 Å²	93	118.9 Å²	118.9	65%	0.65	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.1	-9.1	-171.9	-54.7	0	0	0	0	114.9	V414	V414-S417 PolarHBondContact O-N 3.19Å; V414-S417 VanDerWaalsContact O-N 3.12Å
418	L	36.7	Very low	34.8	Very low	139 Å²	139	124 Å²	124	73%	0.728	71%	0.713	S	S	*	*			trans	-129.6	80.8	178.5	-81.7	154.3	0	0	0	109.4	V414	V414-L418 HydrophobicContact CG1-CD1 4.09Å
419	G	32.3	Very low	34.1	Very low	73 Å²	73	124 Å²	124	75%	0.753	72%	0.718	S	S	*	*			trans	-88.6	142.6	156.6	0	0	0	0	0	108.9
420	S	30.2	Very low	33.6	Very low	102 Å²	102	124 Å²	124	71%	0.713	72%	0.718	S	S	*	*	S	Bend	trans	61.4	94.6	-173.8	-141.4	0	0	0	0	114.6
421	D	32.5	Very low	33.1	Very low	137 Å²	137	126 Å²	126	73%	0.733	73%	0.73	S	S	*	*				-174.4	124.8	94	-87.5	-5.5	0	0	0	110.6	T423	D421-T423 PolarHBondContact O-N 3.4Å
422	G	31.3	Very low	32.9	Very low	89 Å²	89	126.8 Å²	126.8	92%	0.918	73%	0.73	S	S	*	*			trans	-80.8	95.1	-176.4	0	0	0	0	0	112
423	T	31.2	Very low	33	Very low	132 Å²	132	122.5 Å²	122.5	81%	0.81	72%	0.715	S	S	*	*			trans	-106.9	105.1	167	33.7	0	0	0	0	109.9	D421 C425	D421-T423 PolarHBondContact O-N 3.4Å; T423-C425 PolarHBondContact O-N 2.96Å
424	E	29.3	Very low	33.5	Very low	185 Å²	185	121.9 Å²	121.9	86%	0.864	71%	0.705	S	S	*	*			trans	-68	114.7	170.3	-68.7	-172.3	121.1	0	0	109.5	S426	E424-S426 VanDerWaalsContact C-N 3.25Å; E424-S426 PolarHBondContact O-N 3.43Å
425	C	23.6	Very low	33.9	Very low	114 Å²	114	123.8 Å²	123.8	77%	0.77	71%	0.705	S	S	*	*			trans	-82.9	74.8	174.4	-165.5	0	0	0	0	109.8	T423 L427	T423-C425 PolarHBondContact O-N 2.96Å; C425-L427 PolarHBondContact O-N 2.93Å
426	S	26.5	Very low	34.6	Very low	99 Å²	99	119.2 Å²	119.2	69%	0.692	70%	0.7	S	S	*	*			trans	-66.3	91.9	171.2	-66.1	0	0	0	0	109.8	E424 E428	E424-S426 VanDerWaalsContact C-N 3.25Å; E424-S426 PolarHBondContact O-N 3.43Å; S426-E428 PolarHBondContact O-N 3.21Å
427	L	27.3	Very low	35.5	Very low	132 Å²	132	119 Å²	119	69%	0.691	69%	0.688	S	S	*	*			trans	-91	78.6	-175	-152.7	162.1	0	0	0	109.8	C425 I429	C425-L427 PolarHBondContact O-N 2.93Å; L427-I429 HydrophobicContact CD2-CD1 4.28Å; L427-I429 HydrophobicContact CD2-CG1 3.65Å; L427-I429 PolarHBondContact O-N 3.02Å
428	E	27.7	Very low	36.6	Very low	187 Å²	187	116 Å²	116	87%	0.874	66%	0.663	S	S	*	*			trans	-66	110.9	173.4	-66.7	-171.1	132.9	0	0	110.1	S426 E430	S426-E428 PolarHBondContact O-N 3.21Å; E428-E430 PolarHBondContact O-N 3.13Å
429	I	28.3	Very low	38.4	Very low	136 Å²	136	111.8 Å²	111.8	70%	0.697	64%	0.644	S	S	*	*			trans	-90	85.2	175.3	-55.2	179.3	0	0	0	108.2	L427 V431	L427-I429 HydrophobicContact CD2-CD1 4.28Å; L427-I429 HydrophobicContact CD2-CG1 3.65Å; L427-I429 PolarHBondContact O-N 3.02Å; I429-V431 HydrophobicContact CG2-CG2 4.09Å; I429-V431 PolarHBondContact O-N 2.94Å
430	E	28.1	Very low	40.5	Very low	156 Å²	156	113.2 Å²	113.2	73%	0.729	63%	0.634	S	S	*	*			trans	-72	107.7	170.8	-166.7	-179.5	-159.3	0	0	109.8	E428 Q432	E428-E430 PolarHBondContact O-N 3.13Å; E430-Q432 VanDerWaalsContact C-N 3.27Å; E430-Q432 HydrophobicContact CG-CG 4.41Å; E430-Q432 PolarHBondContact O-N 2.84Å
431	V	31.9	Very low	42.8	Very low	119 Å²	119	109.1 Å²	109.1	72%	0.721	61%	0.606	S	S	*	*			trans	-83.3	67.9	-175.4	-169.5	0	0	0	0	111	I429 V433	I429-V431 HydrophobicContact CG2-CG2 4.09Å; I429-V431 PolarHBondContact O-N 2.94Å; V431-V433 PolarHBondContact O-N 3.44Å
432	Q	29.3	Very low	45.3	Very low	132 Å²	132	103.3 Å²	103.3	62%	0.617	58%	0.575	S	S	*	*			trans	-72.3	119.1	162.1	-70.6	-170.1	-8.8	0	0	109.6	E430 D434	E430-Q432 VanDerWaalsContact C-N 3.27Å; E430-Q432 HydrophobicContact CG-CG 4.41Å; E430-Q432 PolarHBondContact O-N 2.84Å; Q432-D434 PolarHBondContact O-N 3.39Å
433	V	43.1	Very low	47.9	Very low	84 Å²	84	103.4 Å²	103.4	51%	0.509	55%	0.554	S	S	.	*			trans	-78.8	71.7	177.4	-172.6	0	0	0	0	109.6	V431 W435	V431-V433 PolarHBondContact O-N 3.44Å; V433-W435 HydrophobicContact CG1-CD2 4.31Å; V433-W435 HydrophobicContact CG1-CH2 4.26Å; V433-W435 HydrophobicContact CG1-CZ2 3.89Å; V433-W435 VanDerWaalsContact O-CD1 3.3Å; V433-W435 PolarHBondContact O-N 3.35Å; V433-W435 PolarHBondContact O-NE1 3.49Å
434	D	46.7	Very low	50.5	Low	73 Å²	73	100.1 Å²	100.1	39%	0.39	53%	0.531	S	S	.	.			trans	-78.7	95.6	177.5	179.9	7.2	0	0	0	109.8	Q432 G436 R437	Q432-D434 PolarHBondContact O-N 3.39Å; D434-G436 PolarHBondContact O-N 3.45Å; D434-R437 HydrophobicContact CB-CG 4.26Å; D434-R437 WeakPolarHBondContact O-CB 3.22Å; D434-R437 WeakPolarHBondContact O-CG 3.47Å; D434-R437 PolarHBondContact O-N 3.49Å; D434-R437 IonicContact OD2-CZ 3.36Å; D434-R437 VanDerWaalsContact OD2-CZ 3.22Å; D434-R437 IonicContact OD2-NE 2.65Å; D434-R437 PolarHBondContact OD2-NE 2.9Å; D434-R437 IonicContact OD2-NH2 2.87Å; D434-R437 PolarHBondContact OD2-NH2 3.01Å
435	W	51.1	Low	53.3	Low	108 Å²	108	91.4 Å²	91.4	41%	0.409	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-58.6	-18.9	-171.4	-57.2	88.6	0	0	0	114	V433 R437 F438 Q492	V433-W435 HydrophobicContact CG1-CD2 4.31Å; V433-W435 HydrophobicContact CG1-CH2 4.26Å; V433-W435 HydrophobicContact CG1-CZ2 3.89Å; V433-W435 VanDerWaalsContact O-CD1 3.3Å; V433-W435 PolarHBondContact O-N 3.35Å; V433-W435 PolarHBondContact O-NE1 3.49Å; W435-R437 PolarHBondContact O-N 3.13Å; W435-R437 VanDerWaalsContact O-N 3.15Å; W435-F438 HydrophobicContact CB-CE2 4.35Å; W435-F438 HydrophobicContact CD2-CE2 4.11Å; W435-F438 HydrophobicContact CE3-CD2 4.2Å; W435-F438 AromaticContact CE3-CE2 3.44Å; W435-F438 HydrophobicContact CE3-CE2 3.44Å; W435-F438 VanDerWaalsContact CE3-CE2 3.44Å; W435-F438 HydrophobicContact CE3-CZ 4.3Å; W435-F438 HydrophobicContact CZ3-CE2 4.02Å; W435-F438 HydrophobicContact CZ3-CZ 4.48Å; W435-F438 VanDerWaalsContact O-CD2 3.31Å; W435-F438 WeakPolarHBondContact O-CD2 3.49Å; W435-Q492 VanDerWaalsContact CE3-CD 3.46Å; W435-Q492 HydrophobicContact CE3-CG 3.91Å; W435-Q492 HydrophobicContact CZ3-CG 4.26Å; W435-Q492 VanDerWaalsContact CZ3-OE1 3.29Å
436	G	54.8	Low	56.6	Low	60 Å²	60	89 Å²	89	62%	0.619	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-64.3	-12	173.5	0	0	0	0	0	114.9	D434 P439	D434-G436 PolarHBondContact O-N 3.45Å; G436-P439 WeakPolarHBondContact O-CD 3.42Å
437	R	59.6	Low	59.7	Low	150 Å²	150	89.9 Å²	89.9	57%	0.566	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-92	-9.4	-172.5	-58.3	-174.2	-169.9	-172.9	7.9	115.5	D434 W435 L440 S441	D434-R437 HydrophobicContact CB-CG 4.26Å; D434-R437 WeakPolarHBondContact O-CB 3.22Å; D434-R437 WeakPolarHBondContact O-CG 3.47Å; D434-R437 PolarHBondContact O-N 3.49Å; D434-R437 IonicContact OD2-CZ 3.36Å; D434-R437 VanDerWaalsContact OD2-CZ 3.22Å; D434-R437 IonicContact OD2-NE 2.65Å; D434-R437 PolarHBondContact OD2-NE 2.9Å; D434-R437 IonicContact OD2-NH2 2.87Å; D434-R437 PolarHBondContact OD2-NH2 3.01Å; W435-R437 PolarHBondContact O-N 3.13Å; W435-R437 VanDerWaalsContact O-N 3.15Å; R437-L440 WeakPolarHBondContact O-CB 3.45Å; R437-L440 PolarHBondContact O-N 3.33Å; R437-L440 VanDerWaalsContact O-N 3.08Å; R437-S441 PolarHBondContact O-N 3.39Å
438	F	67.5	Low	62.6	Low	28 Å²	28	84.3 Å²	84.3	12%	0.123	43%	0.432	C	S	.	.	H	α-helix	trans	-64.8	-28.4	-179.6	-65.5	-62.7	0	0	0	116.3	W389 W435 S441 T442	W389-F438 HydrophobicContact CB-CD1 4.36Å; W389-F438 HydrophobicContact CB-CE1 3.68Å; W389-F438 HydrophobicContact CB-CZ 4.15Å; W389-F438 AromaticContact CD2-CD1 3.4Å; W389-F438 HydrophobicContact CD2-CD1 3.4Å; W389-F438 VanDerWaalsContact CD2-CD1 3.4Å; W389-F438 AromaticContact CD2-CE1 3.65Å; W389-F438 HydrophobicContact CD2-CE1 3.65Å; W389-F438 AromaticContact CD2-CG 3.95Å; W389-F438 HydrophobicContact CD2-CG 3.95Å; W389-F438 HydrophobicContact CD2-CZ 4.35Å; W389-F438 AromaticContact CE2-CD1 3.9Å; W389-F438 AromaticContact CE2-CG 3.94Å; W389-F438 HydrophobicContact CE3-CB 4.44Å; W389-F438 AromaticContact CE3-CD1 3.37Å; W389-F438 HydrophobicContact CE3-CD1 3.37Å; W389-F438 AromaticContact CE3-CE1 3.9Å; W389-F438 HydrophobicContact CE3-CE1 3.9Å; W389-F438 HydrophobicContact CE3-CG 4.11Å; W389-F438 AromaticContact CG-CD1 3.85Å; W389-F438 HydrophobicContact CG-CD1 3.85Å; W389-F438 AromaticContact CG-CE1 3.55Å; W389-F438 HydrophobicContact CG-CE1 3.55Å; W389-F438 AromaticContact CG-CZ 3.96Å; W389-F438 HydrophobicContact CG-CZ 3.96Å; W389-F438 HydrophobicContact CH2-CB 3.9Å; W389-F438 HydrophobicContact CH2-CD1 4.34Å; W389-F438 HydrophobicContact CH2-CG 4.3Å; W389-F438 HydrophobicContact CZ2-CB 4.01Å; W389-F438 HydrophobicContact CZ2-CD1 4.35Å; W389-F438 HydrophobicContact CZ2-CG 4.13Å; W389-F438 HydrophobicContact CZ3-CB 4.11Å; W389-F438 AromaticContact CZ3-CD1 3.86Å; W389-F438 HydrophobicContact CZ3-CD1 3.86Å; W389-F438 HydrophobicContact CZ3-CG 4.28Å; W435-F438 HydrophobicContact CB-CE2 4.35Å; W435-F438 HydrophobicContact CD2-CE2 4.11Å; W435-F438 HydrophobicContact CE3-CD2 4.2Å; W435-F438 AromaticContact CE3-CE2 3.44Å; W435-F438 HydrophobicContact CE3-CE2 3.44Å; W435-F438 VanDerWaalsContact CE3-CE2 3.44Å; W435-F438 HydrophobicContact CE3-CZ 4.3Å; W435-F438 HydrophobicContact CZ3-CE2 4.02Å; W435-F438 HydrophobicContact CZ3-CZ 4.48Å; W435-F438 VanDerWaalsContact O-CD2 3.31Å; W435-F438 WeakPolarHBondContact O-CD2 3.49Å; F438-S441 PolarHBondContact O-OG 3.41Å; F438-T442 WeakPolarHBondContact O-CB 3.42Å; F438-T442 PolarHBondContact O-N 3.22Å; F438-T442 PolarHBondContact O-OG1 3.19Å
439	P	73.5	Confident	65.7	Low	51 Å²	51	75.4 Å²	75.4	33%	0.331	39%	0.39	S	S	.	.	H	α-helix	trans	-63.8	-39	167.4	-24.3	35.7	0	0	0	112.7	G436 T442 I443 I489	G436-P439 WeakPolarHBondContact O-CD 3.42Å; P439-T442 WeakPolarHBondContact O-CB 3.11Å; P439-T442 PolarHBondContact O-N 3.37Å; P439-I443 VanDerWaalsContact O-CG1 3.29Å; P439-I443 WeakPolarHBondContact O-CG1 3.45Å; P439-I443 PolarHBondContact O-N 2.94Å; P439-I489 HydrophobicContact CG-CD1 4.46Å; P439-I489 HydrophobicContact CG-CG2 4.44Å
440	L	77.3	Confident	68.8	Low	104 Å²	104	71.2 Å²	71.2	55%	0.545	37%	0.369	S	S	.	.	H	α-helix	trans	-67.5	-42.9	-179	-178.6	63.6	0	0	0	111.8	R437 T442 I443 I444	R437-L440 WeakPolarHBondContact O-CB 3.45Å; R437-L440 PolarHBondContact O-N 3.33Å; R437-L440 VanDerWaalsContact O-N 3.08Å; L440-T442 VanDerWaalsContact C-N 3.32Å; L440-T442 PolarHBondContact O-N 2.92Å; L440-I443 PolarHBondContact O-N 3.45Å; L440-I444 HydrophobicContact CG-CD1 4.21Å; L440-I444 WeakPolarHBondContact O-CG1 3.44Å; L440-I444 PolarHBondContact O-N 2.87Å
441	S	78.5	Confident	71.8	Confident	16 Å²	16	69 Å²	69	11%	0.112	36%	0.362	C	S	.	.	H	α-helix	trans	-62.4	-40.3	174.6	59.2	0	0	0	0	111.8	R437 F438 I443 I444 I445	R437-S441 PolarHBondContact O-N 3.39Å; F438-S441 PolarHBondContact O-OG 3.41Å; S441-I443 PolarHBondContact O-N 3.48Å; S441-I444 PolarHBondContact O-N 2.9Å; S441-I445 WeakPolarHBondContact O-CG1 3.44Å; S441-I445 PolarHBondContact O-N 3.3Å
442	T	84.3	Confident	74.6	Confident	15 Å²	15	64.2 Å²	64.2	9%	0.092	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-43.2	175.6	-61	0	0	0	0	112.3	F438 P439 L440 I444 I445 F446 L485 I489	F438-T442 WeakPolarHBondContact O-CB 3.42Å; F438-T442 PolarHBondContact O-N 3.22Å; F438-T442 PolarHBondContact O-OG1 3.19Å; P439-T442 WeakPolarHBondContact O-CB 3.11Å; P439-T442 PolarHBondContact O-N 3.37Å; L440-T442 VanDerWaalsContact C-N 3.32Å; L440-T442 PolarHBondContact O-N 2.92Å; T442-I444 VanDerWaalsContact C-N 3.34Å; T442-I444 PolarHBondContact O-N 3.41Å; T442-I445 PolarHBondContact O-N 3.01Å; T442-F446 PolarHBondContact O-N 2.87Å; T442-L485 HydrophobicContact CG2-CB 3.67Å; T442-L485 HydrophobicContact CG2-CD1 3.92Å; T442-L485 HydrophobicContact CG2-CG 4.45Å; T442-I489 HydrophobicContact CG2-CD1 4.26Å
443	I	86.8	Confident	77.5	Confident	91 Å²	91	60.1 Å²	60.1	47%	0.467	31%	0.314	S	S	.	.	H	α-helix	trans	-60.2	-42.6	173.9	-71.6	165.4	0	0	0	111.1	P439 L440 S441 F446 F447	P439-I443 VanDerWaalsContact O-CG1 3.29Å; P439-I443 WeakPolarHBondContact O-CG1 3.45Å; P439-I443 PolarHBondContact O-N 2.94Å; L440-I443 PolarHBondContact O-N 3.45Å; S441-I443 PolarHBondContact O-N 3.48Å; I443-F446 PolarHBondContact O-N 3.26Å; I443-F447 HydrophobicContact CG2-CD2 3.79Å; I443-F447 HydrophobicContact CG2-CE2 4.05Å; I443-F447 WeakPolarHBondContact O-CD2 3.26Å; I443-F447 PolarHBondContact O-N 3.25Å
444	I	86.1	Confident	79.8	Confident	63 Å²	63	60.2 Å²	60.2	32%	0.323	31%	0.311	S	S	.	.	H	α-helix	trans	-65	-41.1	177.6	-66.8	163.9	0	0	0	111.4	I396 L440 S441 T442 G448	I396-I444 HydrophobicContact CG2-CG2 3.96Å; L440-I444 HydrophobicContact CG-CD1 4.21Å; L440-I444 WeakPolarHBondContact O-CG1 3.44Å; L440-I444 PolarHBondContact O-N 2.87Å; S441-I444 PolarHBondContact O-N 2.9Å; T442-I444 VanDerWaalsContact C-N 3.34Å; T442-I444 PolarHBondContact O-N 3.41Å; I444-G448 WeakPolarHBondContact O-CA 3.43Å; I444-G448 PolarHBondContact O-N 3.47Å
445	I	87	Confident	81.8	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-62.6	-46.3	175.8	-63.8	165.3	0	0	0	110.4	I396 S441 T442 N449 D477 L485	I396-I445 HydrophobicContact CB-CG1 4.48Å; I396-I445 HydrophobicContact CD1-CD1 4.48Å; I396-I445 HydrophobicContact CD1-CG1 4.49Å; I396-I445 HydrophobicContact CG1-CD1 3.82Å; I396-I445 HydrophobicContact CG1-CG1 3.45Å; I396-I445 VanDerWaalsContact CG1-CG1 3.45Å; S441-I445 WeakPolarHBondContact O-CG1 3.44Å; S441-I445 PolarHBondContact O-N 3.3Å; T442-I445 PolarHBondContact O-N 3.01Å; I445-N449 WeakPolarHBondContact O-CB 3.41Å; I445-N449 PolarHBondContact O-N 2.94Å; I445-N449 VanDerWaalsContact O-N 3.12Å; I445-N449 PolarHBondContact O-ND2 2.96Å; I445-D477 WeakPolarHBondContact CG2-O 3.34Å; I445-L485 HydrophobicContact CD1-CD1 3.57Å
446	F	92.7	Very high	83.4	Confident	63 Å²	63	57.5 Å²	57.5	28%	0.276	30%	0.296	S	S	.	.	H	α-helix	trans	-59.9	-60.6	180	179.8	-89.9	0	0	0	111.7	T442 I443 L450 F478 S481 V482	T442-F446 PolarHBondContact O-N 2.87Å; I443-F446 PolarHBondContact O-N 3.26Å; F446-L450 HydrophobicContact CE1-CD2 4.02Å; F446-L450 HydrophobicContact CZ-CD2 4.41Å; F446-L450 WeakPolarHBondContact O-CB 3.36Å; F446-L450 PolarHBondContact O-N 3.31Å; F446-F478 HydrophobicContact CD2-CD2 4.13Å; F446-F478 AromaticContact CD2-CE2 3.65Å; F446-F478 HydrophobicContact CD2-CE2 3.65Å; F446-F478 HydrophobicContact CD2-CZ 4.42Å; F446-F478 HydrophobicContact CE2-CD2 4.31Å; F446-F478 AromaticContact CE2-CE2 3.38Å; F446-F478 HydrophobicContact CE2-CE2 3.38Å; F446-F478 AromaticContact CE2-CZ 3.83Å; F446-F478 HydrophobicContact CE2-CZ 3.83Å; F446-F478 HydrophobicContact CG-CE2 4.33Å; F446-F478 AromaticContact CZ-CE2 3.86Å; F446-F478 HydrophobicContact CZ-CE2 3.86Å; F446-F478 HydrophobicContact CZ-CZ 4.35Å; F446-S481 WeakPolarHBondContact CA-OG 3.47Å; F446-V482 HydrophobicContact CD2-CG2 4.01Å; F446-V482 HydrophobicContact CE2-CG2 3.87Å
447	F	91.8	Very high	84.9	Confident	118 Å²	118	57.1 Å²	57.1	52%	0.518	29%	0.287	S	S	.	.	H	α-helix	trans	-69.6	-38.6	-176.5	-76.7	-73.6	0	0	0	112.4	I443 L450 L451	I443-F447 HydrophobicContact CG2-CD2 3.79Å; I443-F447 HydrophobicContact CG2-CE2 4.05Å; I443-F447 WeakPolarHBondContact O-CD2 3.26Å; I443-F447 PolarHBondContact O-N 3.25Å; F447-L450 PolarHBondContact O-N 2.79Å; F447-L451 WeakPolarHBondContact O-CB 3.48Å; F447-L451 WeakPolarHBondContact O-CG 3.4Å; F447-L451 PolarHBondContact O-N 3.26Å
448	G	89	Confident	86.2	Confident	14 Å²	14	54.8 Å²	54.8	14%	0.144	29%	0.29	C	S	.	.	H	α-helix	trans	-60.7	-47.4	179.5	0	0	0	0	0	112.5	I444 L451 I452	I444-G448 WeakPolarHBondContact O-CA 3.43Å; I444-G448 PolarHBondContact O-N 3.47Å; G448-L451 PolarHBondContact O-N 3.33Å; G448-I452 WeakPolarHBondContact O-CG1 3.36Å; G448-I452 PolarHBondContact O-N 3.34Å
449	N	91.8	Very high	86.9	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-76	-34.8	179.5	-69.9	-69.3	0	0	0	112.5	S395 I445 L451 I452 I453 A474 F478	S395-N449 PolarHBondContact O-ND2 3.13Å; I445-N449 WeakPolarHBondContact O-CB 3.41Å; I445-N449 PolarHBondContact O-N 2.94Å; I445-N449 VanDerWaalsContact O-N 3.12Å; I445-N449 PolarHBondContact O-ND2 2.96Å; N449-L451 VanDerWaalsContact C-N 3.33Å; N449-L451 PolarHBondContact O-N 3.11Å; N449-I452 PolarHBondContact O-N 3.24Å; N449-I453 WeakPolarHBondContact O-CG1 3.24Å; N449-I453 PolarHBondContact O-N 2.88Å; N449-A474 HydrophobicContact CB-CB 4.27Å; N449-F478 HydrophobicContact CB-CB 4.09Å
450	L	94.1	Very high	86.3	Confident	48 Å²	48	62.7 Å²	62.7	25%	0.251	32%	0.323	S	S	.	.	H	α-helix	trans	-58.8	-42.5	170.4	-179.3	59.9	0	0	0	111.9	F446 F447 I452 I453 L454 F478	F446-L450 HydrophobicContact CE1-CD2 4.02Å; F446-L450 HydrophobicContact CZ-CD2 4.41Å; F446-L450 WeakPolarHBondContact O-CB 3.36Å; F446-L450 PolarHBondContact O-N 3.31Å; F447-L450 PolarHBondContact O-N 2.79Å; L450-I452 PolarHBondContact O-N 3.22Å; L450-I453 PolarHBondContact O-N 2.95Å; L450-L454 HydrophobicContact CD1-CD1 4.18Å; L450-L454 HydrophobicContact CD1-CG 4.2Å; L450-L454 HydrophobicContact CG-CD1 3.96Å; L450-L454 HydrophobicContact CG-CG 4.41Å; L450-L454 WeakPolarHBondContact O-CB 3.29Å; L450-L454 VanDerWaalsContact O-CG 3.3Å; L450-L454 WeakPolarHBondContact O-CG 3.32Å; L450-L454 PolarHBondContact O-N 3.47Å; L450-F478 HydrophobicContact CB-CD2 4.09Å; L450-F478 HydrophobicContact CB-CE2 4.11Å; L450-F478 HydrophobicContact CD1-CE2 4.22Å
451	L	92	Very high	85.3	Confident	111 Å²	111	68.1 Å²	68.1	58%	0.581	34%	0.337	S	S	*	.	H	α-helix	trans	-63.8	-38	176.4	-75.3	168.1	0	0	0	112.6	F447 G448 N449 L454 W455	F447-L451 WeakPolarHBondContact O-CB 3.48Å; F447-L451 WeakPolarHBondContact O-CG 3.4Å; F447-L451 PolarHBondContact O-N 3.26Å; G448-L451 PolarHBondContact O-N 3.33Å; N449-L451 VanDerWaalsContact C-N 3.33Å; N449-L451 PolarHBondContact O-N 3.11Å; L451-L454 PolarHBondContact O-N 2.94Å; L451-W455 VanDerWaalsContact O-CB 3.24Å; L451-W455 WeakPolarHBondContact O-CB 3.36Å; L451-W455 PolarHBondContact O-N 3.49Å
452	I	89.3	Confident	84.1	Confident	18 Å²	18	73 Å²	73	9%	0.092	36%	0.361	C	S	.	.	H	α-helix	trans	-60.7	-48.4	172.1	-64.8	166.4	0	0	0	110.3	P399 Y402 G448 N449 L450 L454 W455 I456 I470 A474	P399-I452 HydrophobicContact CG-CD1 4.06Å; Y402-I452 HydrophobicContact CD2-CD1 3.98Å; G448-I452 WeakPolarHBondContact O-CG1 3.36Å; G448-I452 PolarHBondContact O-N 3.34Å; N449-I452 PolarHBondContact O-N 3.24Å; L450-I452 PolarHBondContact O-N 3.22Å; I452-L454 PolarHBondContact O-N 3.42Å; I452-W455 PolarHBondContact O-N 2.9Å; I452-I456 HydrophobicContact CG2-CD1 3.74Å; I452-I456 WeakPolarHBondContact O-CG1 3.39Å; I452-I456 PolarHBondContact O-N 2.75Å; I452-I470 HydrophobicContact CG2-CG2 3.85Å; I452-A474 HydrophobicContact CB-CB 4Å; I452-A474 HydrophobicContact CD1-CB 4.31Å; I452-A474 HydrophobicContact CG2-CB 3.76Å
453	I	90.8	Very high	83.1	Confident	45 Å²	45	76.9 Å²	76.9	23%	0.231	38%	0.376	C	S	.	.	H	α-helix	trans	-60.3	-47.6	-179.9	-65.1	163.2	0	0	0	110.3	N449 L450 I456 A457 A474 L475 F478	N449-I453 WeakPolarHBondContact O-CG1 3.24Å; N449-I453 PolarHBondContact O-N 2.88Å; L450-I453 PolarHBondContact O-N 2.95Å; I453-I456 PolarHBondContact O-N 3.36Å; I453-A457 VanDerWaalsContact O-CB 3.23Å; I453-A457 WeakPolarHBondContact O-CB 3.41Å; I453-A457 PolarHBondContact O-N 3.24Å; I453-A474 HydrophobicContact CD1-CB 4.48Å; I453-A474 HydrophobicContact CG1-CB 3.99Å; I453-L475 HydrophobicContact CD1-CB 4.44Å; I453-F478 HydrophobicContact CD1-CB 4.08Å; I453-F478 HydrophobicContact CD1-CG 4.32Å
454	L	91.1	Very high	82.4	Confident	87 Å²	87	78.5 Å²	78.5	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-64.4	-39.8	178.8	-69.4	172.6	0	0	0	112.6	L450 L451 I452 A457 T458	L450-L454 HydrophobicContact CD1-CD1 4.18Å; L450-L454 HydrophobicContact CD1-CG 4.2Å; L450-L454 HydrophobicContact CG-CD1 3.96Å; L450-L454 HydrophobicContact CG-CG 4.41Å; L450-L454 WeakPolarHBondContact O-CB 3.29Å; L450-L454 VanDerWaalsContact O-CG 3.3Å; L450-L454 WeakPolarHBondContact O-CG 3.32Å; L450-L454 PolarHBondContact O-N 3.47Å; L451-L454 PolarHBondContact O-N 2.94Å; I452-L454 PolarHBondContact O-N 3.42Å; L454-A457 PolarHBondContact O-N 3.23Å; L454-T458 WeakPolarHBondContact O-CB 3.23Å; L454-T458 WeakPolarHBondContact O-CG2 3.31Å; L454-T458 PolarHBondContact O-N 2.86Å; L454-T458 PolarHBondContact O-OG1 3.09Å
455	W	87.9	Confident	82.1	Confident	112 Å²	112	77.1 Å²	77.1	42%	0.424	37%	0.37	S	S	.	.	H	α-helix	trans	-63.6	-41	175.4	178.1	74.7	0	0	0	112.2	L451 I452 T458 R459	L451-W455 VanDerWaalsContact O-CB 3.24Å; L451-W455 WeakPolarHBondContact O-CB 3.36Å; L451-W455 PolarHBondContact O-N 3.49Å; I452-W455 PolarHBondContact O-N 2.9Å; W455-T458 PolarHBondContact O-OG1 2.78Å; W455-R459 VanDerWaalsContact CZ2-NH1 3.33Å; W455-R459 WeakPolarHBondContact O-CB 3.34Å; W455-R459 PolarHBondContact O-N 3.34Å
456	I	85.8	Confident	81.8	Confident	12 Å²	12	78.1 Å²	78.1	6%	0.062	38%	0.376	C	S	.	.	H	α-helix	trans	-75.8	-31	176.5	-59.9	169.8	0	0	0	111.1	I452 I453 K463 D467 I470 A471	I452-I456 HydrophobicContact CG2-CD1 3.74Å; I452-I456 WeakPolarHBondContact O-CG1 3.39Å; I452-I456 PolarHBondContact O-N 2.75Å; I453-I456 PolarHBondContact O-N 3.36Å; I456-K463 WeakPolarHBondContact O-CE 3.34Å; I456-K463 PolarHBondContact O-NZ 2.75Å; I456-D467 HydrophobicContact CG2-CB 4.36Å; I456-I470 HydrophobicContact CD1-CB 4.18Å; I456-I470 HydrophobicContact CD1-CG2 3.86Å; I456-A471 HydrophobicContact CB-CB 4.49Å; I456-A471 HydrophobicContact CD1-CB 3.92Å; I456-A471 HydrophobicContact CG2-CB 4.13Å
457	A	86	Confident	81.5	Confident	52 Å²	52	75.4 Å²	75.4	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-64.5	-54.3	175.9	0	0	0	0	0	111.6	I453 L454 R459 K463	I453-A457 VanDerWaalsContact O-CB 3.23Å; I453-A457 WeakPolarHBondContact O-CB 3.41Å; I453-A457 PolarHBondContact O-N 3.24Å; L454-A457 PolarHBondContact O-N 3.23Å; A457-R459 VanDerWaalsContact C-N 3.31Å; A457-R459 PolarHBondContact O-N 2.93Å; A457-K463 PolarHBondContact O-NZ 3.49Å
458	T	86.6	Confident	81.4	Confident	101 Å²	101	71.2 Å²	71.2	62%	0.62	35%	0.347	S	S	*	.	H	α-helix	trans	-68.7	-20.7	-175.7	51.9	0	0	0	0	114.7	L454 W455 N460	L454-T458 WeakPolarHBondContact O-CB 3.23Å; L454-T458 WeakPolarHBondContact O-CG2 3.31Å; L454-T458 PolarHBondContact O-N 2.86Å; L454-T458 PolarHBondContact O-OG1 3.09Å; W455-T458 PolarHBondContact O-OG1 2.78Å; T458-N460 PolarHBondContact O-N 3.2Å
459	R	83.2	Confident	81.4	Confident	97 Å²	97	70.6 Å²	70.6	37%	0.366	34%	0.341	S	S	.	.			trans	-76.8	79.4	-175.2	-162.3	173.6	-169	-174.9	2.6	113.5	W455 A457 R461 K463	W455-R459 VanDerWaalsContact CZ2-NH1 3.33Å; W455-R459 WeakPolarHBondContact O-CB 3.34Å; W455-R459 PolarHBondContact O-N 3.34Å; A457-R459 VanDerWaalsContact C-N 3.31Å; A457-R459 PolarHBondContact O-N 2.93Å; R459-R461 PolarHBondContact O-N 2.89Å; R459-K463 WeakPolarHBondContact O-CE 3.3Å
460	N	60.4	Low	81.3	Confident	148 Å²	148	71.9 Å²	71.9	79%	0.791	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-17.4	-168.5	-80.4	-17	0	0	0	118.2	T458	T458-N460 PolarHBondContact O-N 3.2Å
461	R	56.9	Low	81.2	Confident	218 Å²	218	70.8 Å²	70.8	82%	0.823	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	-12.2	-169.8	-81.1	-174.7	170.5	173.8	-2.6	117.8	R459	R459-R461 PolarHBondContact O-N 2.89Å
462	L	52.7	Low	81.3	Confident	118 Å²	118	66 Å²	66	62%	0.618	32%	0.321	S	S	*	.			trans	-146.9	58.7	-174.4	-71.8	175.5	0	0	0	112.9	R464	L462-R464 PolarHBondContact O-N 3.45Å
463	K	62.4	Low	81.4	Confident	96 Å²	96	65.1 Å²	65.1	42%	0.417	32%	0.317	S	S	.	.			trans	-79.9	97.5	170.5	-55.3	-163	-170.7	-158	0	109.3	I456 A457 R459	I456-K463 WeakPolarHBondContact O-CE 3.34Å; I456-K463 PolarHBondContact O-NZ 2.75Å; A457-K463 PolarHBondContact O-NZ 3.49Å; R459-K463 WeakPolarHBondContact O-CE 3.3Å
464	R	72.3	Confident	81.6	Confident	126 Å²	126	63.1 Å²	63.1	48%	0.475	31%	0.307	S	S	.	.			trans	-73.6	161.4	176.6	-55	165.6	-65.6	-178.7	6.9	109.2	L462 C466 D467	L462-R464 PolarHBondContact O-N 3.45Å; R464-C466 VanDerWaalsContact C-N 3.25Å; R464-C466 PolarHBondContact O-N 3.44Å; R464-D467 WeakPolarHBondContact CA-OD2 3.15Å; R464-D467 VanDerWaalsContact CB-OD2 3.22Å; R464-D467 WeakPolarHBondContact CB-OD2 3.43Å; R464-D467 WeakPolarHBondContact CG-OD2 3.49Å; R464-D467 IonicContact CZ-OD1 2.74Å; R464-D467 IonicContact CZ-OD2 3.82Å; R464-D467 PolarHBondContact N-OD2 3.04Å; R464-D467 IonicContact NE-OD1 3.95Å; R464-D467 PolarHBondContact NE-OD1 3.48Å; R464-D467 IonicContact NE-OD2 2.68Å; R464-D467 PolarHBondContact NE-OD2 2.65Å; R464-D467 IonicContact NH2-OD1 3.22Å; R464-D467 PolarHBondContact NH2-OD1 3.16Å; R464-D467 IonicContact NH2-OD2 2.71Å; R464-D467 WeakPolarHBondContact O-CB 3.31Å; R464-D467 PolarHBondContact O-N 3.35Å
465	I	81.3	Confident	81.8	Confident	34 Å²	34	62.4 Å²	62.4	17%	0.174	30%	0.303	C	S	.	.	H	α-helix	trans	-57.1	-40.3	177.8	-74.6	179.5	0	0	0	111.8	D467 L468 Y469 Q544 S549	I465-D467 VanDerWaalsContact C-N 3.25Å; I465-D467 PolarHBondContact O-N 3.29Å; I465-L468 PolarHBondContact O-N 3.14Å; I465-Y469 HydrophobicContact CG2-CE2 3.86Å; I465-Y469 WeakPolarHBondContact O-CD2 3.39Å; I465-Q544 HydrophobicContact CD1-CB 4.49Å; I465-Q544 HydrophobicContact CD1-CG 3.82Å; I465-Q544 WeakPolarHBondContact CD1-O 3.14Å; I465-Q544 HydrophobicContact CG2-CG 4.25Å; I465-S549 WeakPolarHBondContact CG2-OG 3.21Å
466	C	80.6	Confident	82.1	Confident	23 Å²	23	57.1 Å²	57.1	16%	0.155	28%	0.283	C	S	.	.	H	α-helix	trans	-56.5	-39.4	175.6	-33.8	0	0	0	0	112.6	R464 L468 Y469 I470 R530	R464-C466 VanDerWaalsContact C-N 3.25Å; R464-C466 PolarHBondContact O-N 3.44Å; C466-L468 PolarHBondContact O-N 3.45Å; C466-Y469 PolarHBondContact O-N 2.97Å; C466-I470 WeakPolarHBondContact O-CG1 3.31Å; C466-I470 PolarHBondContact O-N 2.88Å; C466-R530 VanDerWaalsContact SG-CZ 3.52Å; C466-R530 PolarHBondContact SG-NH2 2.93Å
467	D	85.4	Confident	82.5	Confident	5 Å²	5	56.5 Å²	56.5	3%	0.027	28%	0.28	C	S	.	.	H	α-helix	trans	-68.9	-22.3	-174	-50	-34.3	0	0	0	111.3	I456 R464 I465 A471	I456-D467 HydrophobicContact CG2-CB 4.36Å; R464-D467 WeakPolarHBondContact CA-OD2 3.15Å; R464-D467 VanDerWaalsContact CB-OD2 3.22Å; R464-D467 WeakPolarHBondContact CB-OD2 3.43Å; R464-D467 WeakPolarHBondContact CG-OD2 3.49Å; R464-D467 IonicContact CZ-OD1 2.74Å; R464-D467 IonicContact CZ-OD2 3.82Å; R464-D467 PolarHBondContact N-OD2 3.04Å; R464-D467 IonicContact NE-OD1 3.95Å; R464-D467 PolarHBondContact NE-OD1 3.48Å; R464-D467 IonicContact NE-OD2 2.68Å; R464-D467 PolarHBondContact NE-OD2 2.65Å; R464-D467 IonicContact NH2-OD1 3.22Å; R464-D467 PolarHBondContact NH2-OD1 3.16Å; R464-D467 IonicContact NH2-OD2 2.71Å; R464-D467 WeakPolarHBondContact O-CB 3.31Å; R464-D467 PolarHBondContact O-N 3.35Å; I465-D467 VanDerWaalsContact C-N 3.25Å; I465-D467 PolarHBondContact O-N 3.29Å; D467-A471 WeakPolarHBondContact O-CB 3.26Å; D467-A471 PolarHBondContact O-N 2.71Å; D467-A471 VanDerWaalsContact O-N 3.07Å
468	L	89	Confident	82.9	Confident	30 Å²	30	55.9 Å²	55.9	16%	0.157	27%	0.268	C	S	.	.	H	α-helix	trans	-71.8	-41.4	174.2	-63.5	173.3	0	0	0	112.4	I465 C466 A471 S472 R546 I553	I465-L468 PolarHBondContact O-N 3.14Å; C466-L468 PolarHBondContact O-N 3.45Å; L468-A471 PolarHBondContact O-N 3.5Å; L468-S472 WeakPolarHBondContact O-CB 3.36Å; L468-S472 PolarHBondContact O-N 3.26Å; L468-R546 HydrophobicContact CD1-CG 3.77Å; L468-I553 HydrophobicContact CB-CD1 4.04Å
469	Y	90.2	Very high	83.3	Confident	1 Å²	1	52.9 Å²	52.9	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-69.3	-37.9	176.6	-58.3	-74.9	0	0	0	111.4	I465 C466 S472 L473 C525 I526 D529 S549 M552 I553	I465-Y469 HydrophobicContact CG2-CE2 3.86Å; I465-Y469 WeakPolarHBondContact O-CD2 3.39Å; C466-Y469 PolarHBondContact O-N 2.97Å; Y469-S472 PolarHBondContact O-N 2.93Å; Y469-L473 WeakPolarHBondContact O-CB 3.34Å; Y469-L473 PolarHBondContact O-N 2.91Å; Y469-C525 HydrophobicContact CD1-CB 3.82Å; Y469-C525 HydrophobicContact CE1-CB 3.8Å; Y469-I526 VanDerWaalsContact CB-CG1 3.49Å; Y469-I526 HydrophobicContact CG-CG1 4.22Å; Y469-D529 HydrophobicContact CE2-CB 3.77Å; Y469-D529 WeakPolarHBondContact CE2-OD1 3.37Å; Y469-S549 WeakPolarHBondContact OH-CA 3.36Å; Y469-S549 WeakPolarHBondContact OH-CB 3.32Å; Y469-S549 PolarHBondContact OH-OG 2.93Å; Y469-M552 HydrophobicContact CE1-CB 4.04Å; Y469-M552 HydrophobicContact CE1-CE 4.16Å; Y469-M552 PolarHBondContact OH-SD 2.86Å; Y469-I553 HydrophobicContact CD1-CD1 3.94Å; Y469-I553 HydrophobicContact CD1-CG1 3.67Å; Y469-I553 HydrophobicContact CE1-CD1 4.37Å; Y469-I553 HydrophobicContact CE1-CG1 4.01Å
470	I	89.7	Confident	83.8	Confident	27 Å²	27	48.3 Å²	48.3	14%	0.138	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-42.7	175.4	-63.6	169.1	0	0	0	110.5	Y402 I452 I456 C466 S472 L473 A474	Y402-I470 HydrophobicContact CD1-CD1 4.25Å; Y402-I470 HydrophobicContact CD2-CG2 4.12Å; Y402-I470 HydrophobicContact CE1-CD1 3.85Å; Y402-I470 HydrophobicContact CE1-CG1 3.94Å; Y402-I470 HydrophobicContact CE1-CG2 4.28Å; Y402-I470 HydrophobicContact CE2-CG2 3.81Å; Y402-I470 HydrophobicContact CG-CG2 4.5Å; I452-I470 HydrophobicContact CG2-CG2 3.85Å; I456-I470 HydrophobicContact CD1-CB 4.18Å; I456-I470 HydrophobicContact CD1-CG2 3.86Å; C466-I470 WeakPolarHBondContact O-CG1 3.31Å; C466-I470 PolarHBondContact O-N 2.88Å; I470-S472 PolarHBondContact O-N 3.03Å; I470-L473 PolarHBondContact O-N 3.35Å; I470-A474 WeakPolarHBondContact O-CB 3.15Å; I470-A474 PolarHBondContact O-N 3.07Å
471	A	91.4	Very high	85.3	Confident	26 Å²	26	41.5 Å²	41.5	22%	0.215	19%	0.194	C	C	.	.	H	α-helix	trans	-64.5	-37.3	174.7	0	0	0	0	0	113.1	I456 D467 L468 L475	I456-A471 HydrophobicContact CB-CB 4.49Å; I456-A471 HydrophobicContact CD1-CB 3.92Å; I456-A471 HydrophobicContact CG2-CB 4.13Å; D467-A471 WeakPolarHBondContact O-CB 3.26Å; D467-A471 PolarHBondContact O-N 2.71Å; D467-A471 VanDerWaalsContact O-N 3.07Å; L468-A471 PolarHBondContact O-N 3.5Å; A471-L475 WeakPolarHBondContact O-CB 3.29Å; A471-L475 PolarHBondContact O-N 3.4Å
472	S	94.6	Very high	87	Confident	9 Å²	9	33.6 Å²	33.6	6%	0.063	17%	0.17	C	C	.	.	H	α-helix	trans	-70.2	-38.4	177.3	-176.9	0	0	0	0	112.6	L468 Y469 I470 L475 A476 N522 I553 W557	L468-S472 WeakPolarHBondContact O-CB 3.36Å; L468-S472 PolarHBondContact O-N 3.26Å; Y469-S472 PolarHBondContact O-N 2.93Å; I470-S472 PolarHBondContact O-N 3.03Å; S472-L475 PolarHBondContact O-N 3.4Å; S472-A476 PolarHBondContact O-N 3.5Å; S472-A476 VanDerWaalsContact O-N 3.14Å; S472-N522 WeakPolarHBondContact CB-OD1 3.41Å; S472-N522 PolarHBondContact OG-OD1 2.67Å; S472-I553 WeakPolarHBondContact OG-CG2 3.35Å; S472-W557 PolarHBondContact OG-NE1 3.22Å
473	L	91.6	Very high	88.9	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-63.5	-52	172.3	-177.3	70	0	0	0	111.2	Y402 Y469 I470 L475 A476 D477 S519 N522 L523 I526	Y402-L473 WeakPolarHBondContact OH-CD2 3.46Å; Y469-L473 WeakPolarHBondContact O-CB 3.34Å; Y469-L473 PolarHBondContact O-N 2.91Å; I470-L473 PolarHBondContact O-N 3.35Å; L473-L475 PolarHBondContact O-N 2.78Å; L473-A476 WeakPolarHBondContact O-CB 3.34Å; L473-A476 PolarHBondContact O-N 3.2Å; L473-D477 PolarHBondContact O-N 2.89Å; L473-S519 WeakPolarHBondContact CD1-O 3.13Å; L473-S519 VanDerWaalsContact CD1-OG 3.28Å; L473-S519 WeakPolarHBondContact CD1-OG 3.41Å; L473-N522 HydrophobicContact CB-CB 4.23Å; L473-N522 HydrophobicContact CD1-CB 4.01Å; L473-L523 HydrophobicContact CD1-CD2 3.73Å; L473-L523 HydrophobicContact CD1-CG 3.93Å; L473-L523 HydrophobicContact CD2-CD2 3.61Å; L473-L523 HydrophobicContact CG-CD2 4.34Å; L473-I526 HydrophobicContact CD2-CD1 4.09Å
474	A	93.8	Very high	90.3	Very high	2 Å²	2	27.3 Å²	27.3	2%	0.017	14%	0.138	C	C	.	.	H	α-helix	trans	-60.7	-31.9	177.7	0	0	0	0	0	112.3	N449 I452 I453 I470 F478	N449-A474 HydrophobicContact CB-CB 4.27Å; I452-A474 HydrophobicContact CB-CB 4Å; I452-A474 HydrophobicContact CD1-CB 4.31Å; I452-A474 HydrophobicContact CG2-CB 3.76Å; I453-A474 HydrophobicContact CD1-CB 4.48Å; I453-A474 HydrophobicContact CG1-CB 3.99Å; I470-A474 WeakPolarHBondContact O-CB 3.15Å; I470-A474 PolarHBondContact O-N 3.07Å; A474-F478 WeakPolarHBondContact O-CB 3.2Å; A474-F478 PolarHBondContact O-N 3.37Å
475	L	95.4	Very high	91.2	Very high	73 Å²	73	21.3 Å²	21.3	38%	0.382	12%	0.115	S	C	.	.	H	α-helix	trans	-65.6	-43.4	172.2	179.9	62.1	0	0	0	112.1	I453 A471 S472 L473 L479 W557	I453-L475 HydrophobicContact CD1-CB 4.44Å; A471-L475 WeakPolarHBondContact O-CB 3.29Å; A471-L475 PolarHBondContact O-N 3.4Å; S472-L475 PolarHBondContact O-N 3.4Å; L473-L475 PolarHBondContact O-N 2.78Å; L475-L479 HydrophobicContact CD1-CD1 4.22Å; L475-L479 HydrophobicContact CD1-CG 4.21Å; L475-L479 HydrophobicContact CG-CD1 4.29Å; L475-L479 WeakPolarHBondContact O-CB 3.36Å; L475-L479 VanDerWaalsContact O-CG 3.25Å; L475-L479 WeakPolarHBondContact O-CG 3.48Å; L475-L479 PolarHBondContact O-N 2.86Å; L475-W557 HydrophobicContact CB-CZ2 4.48Å; L475-W557 HydrophobicContact CD2-CZ2 4.22Å; L475-W557 HydrophobicContact CG-CH2 4.42Å; L475-W557 HydrophobicContact CG-CZ2 4.25Å
476	A	95	Very high	91.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.8	-49.5	175.3	0	0	0	0	0	111.3	S472 L473 F478 L479 V480 W557	S472-A476 PolarHBondContact O-N 3.5Å; S472-A476 VanDerWaalsContact O-N 3.14Å; L473-A476 WeakPolarHBondContact O-CB 3.34Å; L473-A476 PolarHBondContact O-N 3.2Å; A476-F478 PolarHBondContact O-N 3.36Å; A476-L479 PolarHBondContact O-N 3.48Å; A476-V480 WeakPolarHBondContact O-CG2 3.42Å; A476-V480 PolarHBondContact O-N 3.46Å; A476-W557 HydrophobicContact CB-CH2 3.84Å; A476-W557 HydrophobicContact CB-CZ2 4.02Å
477	D	93.3	Very high	92	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.4	-36.4	-178.7	-64.9	-13.5	0	0	0	112.7	N398 I445 L473 V480 S481 S519	N398-D477 PolarHBondContact ND2-OD2 3.01Å; I445-D477 WeakPolarHBondContact CG2-O 3.34Å; L473-D477 PolarHBondContact O-N 2.89Å; D477-V480 WeakPolarHBondContact O-CB 3.26Å; D477-V480 PolarHBondContact O-N 3Å; D477-S481 PolarHBondContact O-N 2.56Å; D477-S519 WeakPolarHBondContact OD1-CB 3.4Å; D477-S519 PolarHBondContact OD1-OG 2.95Å
478	F	94.9	Very high	92	Very high	39 Å²	39	22.9 Å²	22.9	17%	0.171	12%	0.124	C	C	.	.	H	α-helix	trans	-60.9	-47.3	170.5	171	-98.7	0	0	0	111.3	F446 N449 L450 I453 A474 A476 V480 S481 V482	F446-F478 HydrophobicContact CD2-CD2 4.13Å; F446-F478 AromaticContact CD2-CE2 3.65Å; F446-F478 HydrophobicContact CD2-CE2 3.65Å; F446-F478 HydrophobicContact CD2-CZ 4.42Å; F446-F478 HydrophobicContact CE2-CD2 4.31Å; F446-F478 AromaticContact CE2-CE2 3.38Å; F446-F478 HydrophobicContact CE2-CE2 3.38Å; F446-F478 AromaticContact CE2-CZ 3.83Å; F446-F478 HydrophobicContact CE2-CZ 3.83Å; F446-F478 HydrophobicContact CG-CE2 4.33Å; F446-F478 AromaticContact CZ-CE2 3.86Å; F446-F478 HydrophobicContact CZ-CE2 3.86Å; F446-F478 HydrophobicContact CZ-CZ 4.35Å; N449-F478 HydrophobicContact CB-CB 4.09Å; L450-F478 HydrophobicContact CB-CD2 4.09Å; L450-F478 HydrophobicContact CB-CE2 4.11Å; L450-F478 HydrophobicContact CD1-CE2 4.22Å; I453-F478 HydrophobicContact CD1-CB 4.08Å; I453-F478 HydrophobicContact CD1-CG 4.32Å; A474-F478 WeakPolarHBondContact O-CB 3.2Å; A474-F478 PolarHBondContact O-N 3.37Å; A476-F478 PolarHBondContact O-N 3.36Å; F478-V480 VanDerWaalsContact C-N 3.3Å; F478-V480 PolarHBondContact O-N 3.46Å; F478-S481 PolarHBondContact O-N 3.32Å; F478-S481 VanDerWaalsContact O-N 3.07Å; F478-S481 PolarHBondContact O-OG 3.48Å; F478-V482 HydrophobicContact CD1-CG2 4.49Å; F478-V482 HydrophobicContact CE1-CG2 4.04Å; F478-V482 HydrophobicContact CE2-CG2 4.33Å; F478-V482 HydrophobicContact CZ-CG2 3.95Å; F478-V482 PolarHBondContact O-N 3.22Å
479	L	95.5	Very high	91.8	Very high	37 Å²	37	22.6 Å²	22.6	19%	0.194	12%	0.123	C	C	.	.	H	α-helix	trans	-65.9	-30.1	179	-68.1	179	0	0	0	112.6	L475 A476 S481 V482 F483 L515 W557	L475-L479 HydrophobicContact CD1-CD1 4.22Å; L475-L479 HydrophobicContact CD1-CG 4.21Å; L475-L479 HydrophobicContact CG-CD1 4.29Å; L475-L479 WeakPolarHBondContact O-CB 3.36Å; L475-L479 VanDerWaalsContact O-CG 3.25Å; L475-L479 WeakPolarHBondContact O-CG 3.48Å; L475-L479 PolarHBondContact O-N 2.86Å; A476-L479 PolarHBondContact O-N 3.48Å; L479-S481 VanDerWaalsContact C-N 3.33Å; L479-S481 PolarHBondContact O-N 2.98Å; L479-V482 PolarHBondContact O-N 3.4Å; L479-F483 HydrophobicContact CB-CD2 4.41Å; L479-F483 HydrophobicContact CD2-CD2 4.25Å; L479-F483 HydrophobicContact CD2-CE2 3.89Å; L479-F483 PolarHBondContact O-N 3.46Å; L479-L515 HydrophobicContact CB-CD1 3.82Å; L479-L515 HydrophobicContact CB-CD2 3.76Å; L479-L515 HydrophobicContact CB-CG 4.41Å; L479-L515 HydrophobicContact CD1-CD2 4.04Å; L479-W557 HydrophobicContact CD1-CH2 4.21Å
480	V	93.1	Very high	91.5	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-58.3	-45.8	169.5	171.5	0	0	0	0	110.4	Y392 A476 D477 F478 V482 V484 L485 L515	Y392-V480 HydrophobicContact CD1-CG1 4.26Å; Y392-V480 HydrophobicContact CE1-CG1 4.43Å; A476-V480 WeakPolarHBondContact O-CG2 3.42Å; A476-V480 PolarHBondContact O-N 3.46Å; D477-V480 WeakPolarHBondContact O-CB 3.26Å; D477-V480 PolarHBondContact O-N 3Å; F478-V480 VanDerWaalsContact C-N 3.3Å; F478-V480 PolarHBondContact O-N 3.46Å; V480-V482 PolarHBondContact O-N 3.1Å; V480-V484 HydrophobicContact CG1-CB 4.11Å; V480-V484 HydrophobicContact CG1-CG2 4.41Å; V480-V484 WeakPolarHBondContact O-CA 3.38Å; V480-V484 WeakPolarHBondContact O-CB 3.44Å; V480-V484 PolarHBondContact O-N 3.14Å; V480-L485 HydrophobicContact CG1-CD1 4.45Å; V480-L485 HydrophobicContact CG1-CD2 4.19Å; V480-L485 HydrophobicContact CG1-CG 4.04Å; V480-L485 PolarHBondContact O-N 3.43Å; V480-L515 HydrophobicContact CG2-CB 3.57Å; V480-L515 HydrophobicContact CG2-CD1 4.48Å
481	S	91.9	Very high	91	Very high	6 Å²	6	26.7 Å²	26.7	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-67.4	-19.6	177.8	70.7	0	0	0	0	115	F446 D477 F478 L479 P486	F446-S481 WeakPolarHBondContact CA-OG 3.47Å; D477-S481 PolarHBondContact O-N 2.56Å; F478-S481 PolarHBondContact O-N 3.32Å; F478-S481 VanDerWaalsContact O-N 3.07Å; F478-S481 PolarHBondContact O-OG 3.48Å; L479-S481 VanDerWaalsContact C-N 3.33Å; L479-S481 PolarHBondContact O-N 2.98Å; S481-P486 WeakPolarHBondContact O-CD 3.28Å
482	V	93.6	Very high	90.2	Very high	52 Å²	52	26.9 Å²	26.9	32%	0.315	14%	0.137	S	C	.	.	H	α-helix	trans	-91.6	-43.7	177.8	176.3	0	0	0	0	112.2	F446 F478 L479 V480	F446-V482 HydrophobicContact CD2-CG2 4.01Å; F446-V482 HydrophobicContact CE2-CG2 3.87Å; F478-V482 HydrophobicContact CD1-CG2 4.49Å; F478-V482 HydrophobicContact CE1-CG2 4.04Å; F478-V482 HydrophobicContact CE2-CG2 4.33Å; F478-V482 HydrophobicContact CZ-CG2 3.95Å; F478-V482 PolarHBondContact O-N 3.22Å; L479-V482 PolarHBondContact O-N 3.4Å; V480-V482 PolarHBondContact O-N 3.1Å
483	F	92.6	Very high	89.2	Confident	82 Å²	82	31.3 Å²	31.3	36%	0.36	16%	0.16	S	C	.	.	H	α-helix	trans	-109	-13	-169.5	-64.8	-51.1	0	0	0	115.5	L479 F487 F507 L515	L479-F483 HydrophobicContact CB-CD2 4.41Å; L479-F483 HydrophobicContact CD2-CD2 4.25Å; L479-F483 HydrophobicContact CD2-CE2 3.89Å; L479-F483 PolarHBondContact O-N 3.46Å; F483-F487 WeakPolarHBondContact O-CD2 3.25Å; F483-F507 HydrophobicContact CB-CE1 4.18Å; F483-F507 HydrophobicContact CB-CZ 4.23Å; F483-F507 HydrophobicContact CD1-CE1 4Å; F483-F507 AromaticContact CD1-CZ 3.7Å; F483-F507 HydrophobicContact CD1-CZ 3.7Å; F483-F507 HydrophobicContact CE1-CZ 4.2Å; F483-F507 HydrophobicContact CG-CE1 4.35Å; F483-F507 HydrophobicContact CG-CZ 4.01Å; F483-L515 HydrophobicContact CB-CD1 4.36Å; F483-L515 HydrophobicContact CD2-CD1 4.44Å
484	V	92	Very high	88.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-55.3	-175.3	-173.2	0	0	0	0	110.9	Y392 V480 F487 A488 H508 D512 L515	Y392-V484 HydrophobicContact CE1-CG1 4.19Å; Y392-V484 WeakPolarHBondContact OH-CG1 3.48Å; V480-V484 HydrophobicContact CG1-CB 4.11Å; V480-V484 HydrophobicContact CG1-CG2 4.41Å; V480-V484 WeakPolarHBondContact O-CA 3.38Å; V480-V484 WeakPolarHBondContact O-CB 3.44Å; V480-V484 PolarHBondContact O-N 3.14Å; V484-F487 PolarHBondContact O-N 3.31Å; V484-A488 PolarHBondContact O-N 3.38Å; V484-H508 PolarHBondContact O-CE1 3.5Å; V484-D512 HydrophobicContact CG1-CB 3.82Å; V484-D512 HydrophobicContact CG2-CB 4.24Å; V484-L515 HydrophobicContact CG2-CD1 4.14Å
485	L	90	Very high	87.3	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-38	-172	-59.3	-175.3	0	0	0	114.8	W389 Y392 T442 I445 V480 F487 A488 I489	W389-L485 HydrophobicContact CH2-CD2 4.41Å; W389-L485 HydrophobicContact CZ3-CD2 4.05Å; Y392-L485 HydrophobicContact CD1-CD2 4.03Å; Y392-L485 HydrophobicContact CD2-CD2 3.58Å; Y392-L485 HydrophobicContact CE1-CD2 4.31Å; Y392-L485 HydrophobicContact CE2-CD2 3.91Å; Y392-L485 HydrophobicContact CG-CD2 3.67Å; T442-L485 HydrophobicContact CG2-CB 3.67Å; T442-L485 HydrophobicContact CG2-CD1 3.92Å; T442-L485 HydrophobicContact CG2-CG 4.45Å; I445-L485 HydrophobicContact CD1-CD1 3.57Å; V480-L485 HydrophobicContact CG1-CD1 4.45Å; V480-L485 HydrophobicContact CG1-CD2 4.19Å; V480-L485 HydrophobicContact CG1-CG 4.04Å; V480-L485 PolarHBondContact O-N 3.43Å; L485-F487 PolarHBondContact O-N 3.11Å; L485-A488 WeakPolarHBondContact O-CB 3.42Å; L485-A488 PolarHBondContact O-N 3.15Å; L485-A488 VanDerWaalsContact O-N 3.15Å; L485-I489 WeakPolarHBondContact O-CG1 3.44Å; L485-I489 PolarHBondContact O-N 2.71Å
486	P	90.2	Very high	86.4	Confident	51 Å²	51	37 Å²	37	33%	0.331	20%	0.196	S	C	.	.	H	α-helix	trans	-60.5	-43.6	178.3	-25.9	36.4	0	0	0	112.8	S481 I489 I490	S481-P486 WeakPolarHBondContact O-CD 3.28Å; P486-I489 PolarHBondContact O-N 2.84Å; P486-I490 WeakPolarHBondContact O-CG1 3.26Å; P486-I490 PolarHBondContact O-N 2.85Å; P486-I490 VanDerWaalsContact O-N 3.12Å
487	F	89.2	Confident	85.7	Confident	39 Å²	39	37.1 Å²	37.1	17%	0.171	20%	0.196	C	C	.	.	H	α-helix	trans	-68.1	-35.3	175.2	-64.6	-76.6	0	0	0	112.2	F483 V484 L485 I490 R491 W497 F499 L504 F507 H508	F483-F487 WeakPolarHBondContact O-CD2 3.25Å; V484-F487 PolarHBondContact O-N 3.31Å; L485-F487 PolarHBondContact O-N 3.11Å; F487-I490 PolarHBondContact O-N 3.45Å; F487-R491 PolarHBondContact O-N 3.39Å; F487-W497 HydrophobicContact CB-CH2 4.36Å; F487-W497 HydrophobicContact CB-CZ3 4.1Å; F487-W497 HydrophobicContact CD1-CH2 4.01Å; F487-W497 HydrophobicContact CD1-CZ3 4.45Å; F487-W497 HydrophobicContact CG-CH2 4.45Å; F487-F499 HydrophobicContact CD1-CD2 4.38Å; F487-F499 AromaticContact CD1-CE2 3.8Å; F487-F499 HydrophobicContact CD1-CE2 3.8Å; F487-F499 HydrophobicContact CD1-CZ 4.37Å; F487-F499 HydrophobicContact CE1-CE2 4.24Å; F487-F499 HydrophobicContact CE1-CZ 4.49Å; F487-L504 HydrophobicContact CE1-CD2 4.1Å; F487-L504 HydrophobicContact CZ-CD2 4.12Å; F487-F507 HydrophobicContact CE2-CE1 4.47Å; F487-H508 HydrophobicContact CB-CB 4.43Å; F487-H508 HydrophobicContact CG-CB 4.45Å
488	A	84.7	Confident	85	Confident	4 Å²	4	38.1 Å²	38.1	3%	0.033	20%	0.202	C	C	.	.	H	α-helix	trans	-65.7	-42.1	174.7	0	0	0	0	0	112.4	W389 V484 L485 Q492	W389-A488 HydrophobicContact CH2-CB 4.26Å; W389-A488 HydrophobicContact CZ2-CB 4.05Å; V484-A488 PolarHBondContact O-N 3.38Å; L485-A488 WeakPolarHBondContact O-CB 3.42Å; L485-A488 PolarHBondContact O-N 3.15Å; L485-A488 VanDerWaalsContact O-N 3.15Å; A488-Q492 WeakPolarHBondContact O-CB 3.2Å; A488-Q492 PolarHBondContact O-N 3.02Å
489	I	85.3	Confident	84.6	Confident	25 Å²	25	37.7 Å²	37.7	13%	0.128	20%	0.201	C	C	.	.	H	α-helix	trans	-59.9	-46	173.3	-65.5	168.6	0	0	0	110.3	W389 P439 T442 L485 P486 Q492 N493	W389-I489 HydrophobicContact CH2-CG1 3.72Å; W389-I489 HydrophobicContact CZ2-CG1 4.12Å; P439-I489 HydrophobicContact CG-CD1 4.46Å; P439-I489 HydrophobicContact CG-CG2 4.44Å; T442-I489 HydrophobicContact CG2-CD1 4.26Å; L485-I489 WeakPolarHBondContact O-CG1 3.44Å; L485-I489 PolarHBondContact O-N 2.71Å; P486-I489 PolarHBondContact O-N 2.84Å; I489-Q492 WeakPolarHBondContact O-CB 3.42Å; I489-Q492 PolarHBondContact O-N 3.48Å; I489-N493 WeakPolarHBondContact CG2-ND2 3.05Å; I489-N493 WeakPolarHBondContact O-CB 3.34Å; I489-N493 VanDerWaalsContact O-CG 3.29Å; I489-N493 PolarHBondContact O-N 2.69Å; I489-N493 PolarHBondContact O-OD1 3.43Å
490	I	84.2	Confident	83.7	Confident	63 Å²	63	43.1 Å²	43.1	32%	0.323	23%	0.225	S	C	.	.	H	α-helix	trans	-63.4	-47.7	-178.4	-68.2	169	0	0	0	110.9	P486 F487 Q492 N493 L494 P498 F499	P486-I490 WeakPolarHBondContact O-CG1 3.26Å; P486-I490 PolarHBondContact O-N 2.85Å; P486-I490 VanDerWaalsContact O-N 3.12Å; F487-I490 PolarHBondContact O-N 3.45Å; I490-Q492 VanDerWaalsContact C-N 3.27Å; I490-Q492 PolarHBondContact O-N 3.09Å; I490-N493 PolarHBondContact O-N 3.34Å; I490-L494 HydrophobicContact CG2-CD1 3.94Å; I490-L494 WeakPolarHBondContact O-CB 3.34Å; I490-L494 WeakPolarHBondContact O-CG 3.36Å; I490-L494 PolarHBondContact O-N 2.93Å; I490-L494 VanDerWaalsContact O-N 3.16Å; I490-P498 HydrophobicContact CG2-CG 3.7Å; I490-F499 HydrophobicContact CD1-CE2 4.5Å; I490-F499 HydrophobicContact CD1-CZ 3.96Å; I490-F499 HydrophobicContact CG2-CE2 3.94Å; I490-F499 HydrophobicContact CG2-CZ 3.97Å
491	R	78.1	Confident	83.2	Confident	51 Å²	51	44.1 Å²	44.1	19%	0.192	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-35.5	174.3	-174.9	171.1	59.8	112.8	-5.6	112.1	E381 M385 F487 G495 Y496 W497	E381-R491 IonicContact OE1-CZ 3.2Å; E381-R491 IonicContact OE1-NH1 2.71Å; E381-R491 PolarHBondContact OE1-NH1 3.39Å; M385-R491 HydrophobicContact CE-CB 4.16Å; M385-R491 HydrophobicContact CE-CG 3.81Å; M385-R491 PolarHBondContact SD-NH1 2.94Å; M385-R491 VanDerWaalsContact SD-NH1 3.4Å; M385-R491 PolarHBondContact SD-NH2 3.34Å; F487-R491 PolarHBondContact O-N 3.39Å; R491-G495 CarbonylContact O-C 3.48Å; R491-G495 WeakPolarHBondContact O-CA 3.41Å; R491-G495 PolarHBondContact O-N 3.19Å; R491-Y496 PolarHBondContact O-N 3.03Å; R491-W497 HydrophobicContact CB-CE3 4.38Å
492	Q	75.3	Confident	82.7	Confident	29 Å²	29	46.8 Å²	46.8	14%	0.136	25%	0.248	C	C	.	.	H	α-helix	trans	-69.4	-45.2	179.5	-177.3	60.4	77.9	0	0	113.1	M385 W389 W435 A488 I489 I490 G495	M385-Q492 HydrophobicContact CE-CB 3.93Å; W389-Q492 HydrophobicContact CZ2-CB 4.43Å; W389-Q492 VanDerWaalsContact NE1-OE1 3.1Å; W435-Q492 VanDerWaalsContact CE3-CD 3.46Å; W435-Q492 HydrophobicContact CE3-CG 3.91Å; W435-Q492 HydrophobicContact CZ3-CG 4.26Å; W435-Q492 VanDerWaalsContact CZ3-OE1 3.29Å; A488-Q492 WeakPolarHBondContact O-CB 3.2Å; A488-Q492 PolarHBondContact O-N 3.02Å; I489-Q492 WeakPolarHBondContact O-CB 3.42Å; I489-Q492 PolarHBondContact O-N 3.48Å; I490-Q492 VanDerWaalsContact C-N 3.27Å; I490-Q492 PolarHBondContact O-N 3.09Å; Q492-G495 PolarHBondContact O-N 3.18Å
493	N	74.4	Confident	82.2	Confident	102 Å²	102	48.4 Å²	48.4	55%	0.545	25%	0.254	S	S	.	.	H	α-helix	trans	-75	-31.7	-174.9	-70.2	1.3	0	0	0	112.2	I489 I490	I489-N493 WeakPolarHBondContact CG2-ND2 3.05Å; I489-N493 WeakPolarHBondContact O-CB 3.34Å; I489-N493 VanDerWaalsContact O-CG 3.29Å; I489-N493 PolarHBondContact O-N 2.69Å; I489-N493 PolarHBondContact O-OD1 3.43Å; I490-N493 PolarHBondContact O-N 3.34Å
494	L	77	Confident	81.9	Confident	82 Å²	82	45.7 Å²	45.7	43%	0.429	24%	0.244	S	C	.	.	H	α-helix	trans	-84.8	-21.2	174.6	-64.2	174.7	0	0	0	112.6	I490 Y496 P498	I490-L494 HydrophobicContact CG2-CD1 3.94Å; I490-L494 WeakPolarHBondContact O-CB 3.34Å; I490-L494 WeakPolarHBondContact O-CG 3.36Å; I490-L494 PolarHBondContact O-N 2.93Å; I490-L494 VanDerWaalsContact O-N 3.16Å; L494-Y496 HydrophobicContact CB-CD1 3.95Å; L494-Y496 HydrophobicContact CB-CE1 3.88Å; L494-Y496 HydrophobicContact CB-CG 4.49Å; L494-Y496 WeakPolarHBondContact O-CD1 3.14Å; L494-Y496 PolarHBondContact O-N 3.01Å; L494-P498 HydrophobicContact CD1-CB 3.8Å; L494-P498 HydrophobicContact CD1-CG 3.64Å
495	G	68.5	Low	81.6	Confident	44 Å²	44	45.7 Å²	45.7	45%	0.454	24%	0.244	S	C	.	.	S	Bend	trans	72.8	1.6	-171.6	0	0	0	0	0	114.2	R491 Q492	R491-G495 CarbonylContact O-C 3.48Å; R491-G495 WeakPolarHBondContact O-CA 3.41Å; R491-G495 PolarHBondContact O-N 3.19Å; Q492-G495 PolarHBondContact O-N 3.18Å
496	Y	75	Confident	81.3	Confident	71 Å²	71	48.4 Å²	48.4	28%	0.278	26%	0.256	S	S	.	.	S	Bend	trans	-149.3	163.4	179.6	74	-92.7	0	0	0	110.4	R491 L494 P498 V578	R491-Y496 PolarHBondContact O-N 3.03Å; L494-Y496 HydrophobicContact CB-CD1 3.95Å; L494-Y496 HydrophobicContact CB-CE1 3.88Å; L494-Y496 HydrophobicContact CB-CG 4.49Å; L494-Y496 WeakPolarHBondContact O-CD1 3.14Å; L494-Y496 PolarHBondContact O-N 3.01Å; Y496-P498 HydrophobicContact CE2-CB 4.09Å; Y496-P498 WeakPolarHBondContact O-CD 3.26Å; Y496-V578 HydrophobicContact CE2-CG1 4.31Å
497	W	81.3	Confident	81.2	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.008	26%	0.257	C	S	.	.			trans	-86.1	114.2	176.4	177.2	-93.2	0	0	0	110.8	F487 R491 F499 L504 C505 H508 G579 C581	F487-W497 HydrophobicContact CB-CH2 4.36Å; F487-W497 HydrophobicContact CB-CZ3 4.1Å; F487-W497 HydrophobicContact CD1-CH2 4.01Å; F487-W497 HydrophobicContact CD1-CZ3 4.45Å; F487-W497 HydrophobicContact CG-CH2 4.45Å; R491-W497 HydrophobicContact CB-CE3 4.38Å; W497-F499 VanDerWaalsContact CD1-O 3.27Å; W497-F499 HydrophobicContact CD2-CD2 4.17Å; W497-F499 AromaticContact CE2-CD2 3.76Å; W497-F499 HydrophobicContact CE3-CD2 4.38Å; W497-F499 AromaticContact CH2-CD2 3.87Å; W497-F499 HydrophobicContact CH2-CD2 3.87Å; W497-F499 HydrophobicContact CH2-CE2 4.43Å; W497-F499 HydrophobicContact CZ2-CB 4.03Å; W497-F499 AromaticContact CZ2-CD2 3.6Å; W497-F499 HydrophobicContact CZ2-CD2 3.6Å; W497-F499 HydrophobicContact CZ2-CG 4.26Å; W497-F499 HydrophobicContact CZ3-CD2 4.25Å; W497-F499 PolarHBondContact NE1-O 2.98Å; W497-L504 HydrophobicContact CZ2-CB 3.98Å; W497-C505 HydrophobicContact CZ2-CB 3.94Å; W497-H508 HydrophobicContact CH2-CB 3.87Å; W497-H508 AromaticContact CH2-CD2 3.87Å; W497-H508 HydrophobicContact CZ3-CB 4.33Å; W497-H508 AromaticContact CZ3-CD2 3.42Å; W497-H508 VanDerWaalsContact CZ3-CD2 3.42Å; W497-H508 WeakPolarHBondContact CZ3-CD2 3.38Å; W497-G579 PolarHBondContact O-N 3.42Å; W497-C581 HydrophobicContact CB-CB 3.73Å; W497-C581 HydrophobicContact CD2-CB 3.34Å; W497-C581 HydrophobicContact CE3-CB 3.88Å; W497-C581 HydrophobicContact CG-CB 3.26Å
498	P	79.3	Confident	81.1	Confident	20 Å²	20	48.2 Å²	48.2	13%	0.13	25%	0.25	C	S	.	.			trans	-79.6	-29.7	-173.5	31.6	-36.2	0	0	0	113.6	I490 L494 Y496 E500	I490-P498 HydrophobicContact CG2-CG 3.7Å; L494-P498 HydrophobicContact CD1-CB 3.8Å; L494-P498 HydrophobicContact CD1-CG 3.64Å; Y496-P498 HydrophobicContact CE2-CB 4.09Å; Y496-P498 WeakPolarHBondContact O-CD 3.26Å; P498-E500 PolarHBondContact O-N 3Å
499	F	84.7	Confident	81.1	Confident	31 Å²	31	49.1 Å²	49.1	14%	0.136	25%	0.254	C	S	.	.			trans	-78.2	108.7	-166.9	-48.7	-74.5	0	0	0	112.3	F487 I490 W497 S501 L504	F487-F499 HydrophobicContact CD1-CD2 4.38Å; F487-F499 AromaticContact CD1-CE2 3.8Å; F487-F499 HydrophobicContact CD1-CE2 3.8Å; F487-F499 HydrophobicContact CD1-CZ 4.37Å; F487-F499 HydrophobicContact CE1-CE2 4.24Å; F487-F499 HydrophobicContact CE1-CZ 4.49Å; I490-F499 HydrophobicContact CD1-CE2 4.5Å; I490-F499 HydrophobicContact CD1-CZ 3.96Å; I490-F499 HydrophobicContact CG2-CE2 3.94Å; I490-F499 HydrophobicContact CG2-CZ 3.97Å; W497-F499 VanDerWaalsContact CD1-O 3.27Å; W497-F499 HydrophobicContact CD2-CD2 4.17Å; W497-F499 AromaticContact CE2-CD2 3.76Å; W497-F499 HydrophobicContact CE3-CD2 4.38Å; W497-F499 AromaticContact CH2-CD2 3.87Å; W497-F499 HydrophobicContact CH2-CD2 3.87Å; W497-F499 HydrophobicContact CH2-CE2 4.43Å; W497-F499 HydrophobicContact CZ2-CB 4.03Å; W497-F499 AromaticContact CZ2-CD2 3.6Å; W497-F499 HydrophobicContact CZ2-CD2 3.6Å; W497-F499 HydrophobicContact CZ2-CG 4.26Å; W497-F499 HydrophobicContact CZ3-CD2 4.25Å; W497-F499 PolarHBondContact NE1-O 2.98Å; F499-S501 PolarHBondContact O-N 2.65Å; F499-S501 VanDerWaalsContact O-N 3.07Å; F499-L504 HydrophobicContact CB-CB 4.43Å; F499-L504 HydrophobicContact CB-CD1 3.9Å; F499-L504 HydrophobicContact CD1-CD1 3.94Å; F499-L504 HydrophobicContact CG-CD1 3.89Å
500	E	77.3	Confident	81.1	Confident	150 Å²	150	48.5 Å²	48.5	70%	0.701	25%	0.252	S	S	*	.			trans	-56.3	-26.7	174.1	-170.2	176.3	-163.2	0	0	113	P498 T502 V578	P498-E500 PolarHBondContact O-N 3Å; E500-T502 PolarHBondContact O-N 2.94Å; E500-V578 HydrophobicContact CB-CG2 3.97Å; E500-V578 HydrophobicContact CG-CG2 4.38Å
501	S	83.1	Confident	81.4	Confident	22 Å²	22	46.1 Å²	46.1	15%	0.154	24%	0.241	C	C	.	.			trans	-57	102.2	178.5	178.3	0	0	0	0	113.7	F34 R38 F499 L503 L504 C505	F34-S501 WeakPolarHBondContact CE1-OG 3.41Å; R38-S501 PolarHBondContact NH2-OG 3Å; F499-S501 PolarHBondContact O-N 2.65Å; F499-S501 VanDerWaalsContact O-N 3.07Å; S501-L503 PolarHBondContact O-N 3.04Å; S501-L503 VanDerWaalsContact O-N 3.11Å; S501-L504 PolarHBondContact O-N 3.45Å; S501-L504 PolarHBondContact OG-N 2.86Å; S501-C505 PolarHBondContact O-N 2.9Å
502	T	81	Confident	81.9	Confident	62 Å²	62	45.5 Å²	45.5	38%	0.38	24%	0.242	S	C	.	.	H	α-helix	trans	-45.2	-39.7	166.4	-58.9	0	0	0	0	112.7	E500 C505 Q506 T576	E500-T502 PolarHBondContact O-N 2.94Å; T502-C505 PolarHBondContact O-N 2.9Å; T502-Q506 HydrophobicContact CG2-CG 4.32Å; T502-Q506 WeakPolarHBondContact O-CB 3.33Å; T502-Q506 VanDerWaalsContact O-CG 3.32Å; T502-Q506 WeakPolarHBondContact O-CG 3.39Å; T502-Q506 PolarHBondContact O-N 2.84Å; T502-T576 HydrophobicContact CG2-CG2 3.93Å; T502-T576 WeakPolarHBondContact CG2-OG1 3.45Å; T502-T576 PolarHBondContact OG1-OG1 3.37Å
503	L	83.9	Confident	82.3	Confident	86 Å²	86	45.8 Å²	45.8	45%	0.45	24%	0.244	S	C	.	.	H	α-helix	trans	-67.9	-37.1	-179.7	-171.6	70.9	0	0	0	112.5	S501 Q506 F507	S501-L503 PolarHBondContact O-N 3.04Å; S501-L503 VanDerWaalsContact O-N 3.11Å; L503-Q506 PolarHBondContact O-N 3.37Å; L503-F507 WeakPolarHBondContact O-CB 3.33Å; L503-F507 PolarHBondContact O-N 3.44Å
504	L	86.6	Confident	83.1	Confident	26 Å²	26	43.4 Å²	43.4	14%	0.136	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-40.6	176.4	-75.6	177.1	0	0	0	110.8	F34 F487 W497 F499 S501 F507 H508	F34-L504 HydrophobicContact CD2-CD1 4.38Å; F34-L504 HydrophobicContact CE1-CD1 4.18Å; F34-L504 HydrophobicContact CE1-CG 4.25Å; F34-L504 HydrophobicContact CE2-CD1 3.84Å; F34-L504 HydrophobicContact CE2-CD2 3.84Å; F34-L504 HydrophobicContact CE2-CG 3.91Å; F34-L504 HydrophobicContact CZ-CD1 3.75Å; F34-L504 HydrophobicContact CZ-CD2 3.88Å; F34-L504 HydrophobicContact CZ-CG 3.55Å; F487-L504 HydrophobicContact CE1-CD2 4.1Å; F487-L504 HydrophobicContact CZ-CD2 4.12Å; W497-L504 HydrophobicContact CZ2-CB 3.98Å; F499-L504 HydrophobicContact CB-CB 4.43Å; F499-L504 HydrophobicContact CB-CD1 3.9Å; F499-L504 HydrophobicContact CD1-CD1 3.94Å; F499-L504 HydrophobicContact CG-CD1 3.89Å; S501-L504 PolarHBondContact O-N 3.45Å; S501-L504 PolarHBondContact OG-N 2.86Å; L504-F507 PolarHBondContact O-N 2.88Å; L504-H508 VanDerWaalsContact O-CB 3.26Å; L504-H508 WeakPolarHBondContact O-CB 3.49Å; L504-H508 PolarHBondContact O-N 2.89Å
505	C	85	Confident	83.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.7	-45.2	175.8	-179.1	0	0	0	0	112	W497 S501 T502 I509 T576 C581	W497-C505 HydrophobicContact CZ2-CB 3.94Å; S501-C505 PolarHBondContact O-N 2.9Å; T502-C505 PolarHBondContact O-N 2.9Å; C505-I509 WeakPolarHBondContact O-CG1 3.09Å; C505-I509 PolarHBondContact O-N 3.48Å; C505-I509 VanDerWaalsContact O-N 3.15Å; C505-T576 HydrophobicContact CB-CG2 3.83Å; C505-C581 WeakPolarHBondContact CA-SG 3.48Å; C505-C581 HydrophobicContact CB-CB 3.92Å; C505-C581 WeakPolarHBondContact CB-SG 3.33Å; C505-C581 WeakPolarHBondContact SG-CA 3.4Å; C505-C581 WeakPolarHBondContact SG-CB 3.45Å; C505-C581 CovalentContact SG-SG 2.03Å; C505-C581 PolarHBondContact SG-SG 3.45Å
506	Q	83.6	Confident	84.7	Confident	57 Å²	57	38 Å²	38	27%	0.266	19%	0.191	S	C	.	.	H	α-helix	trans	-59.6	-45.7	174.4	-77.4	174.4	-18.7	0	0	111.8	T502 L503 S510 H574	T502-Q506 HydrophobicContact CG2-CG 4.32Å; T502-Q506 WeakPolarHBondContact O-CB 3.33Å; T502-Q506 VanDerWaalsContact O-CG 3.32Å; T502-Q506 WeakPolarHBondContact O-CG 3.39Å; T502-Q506 PolarHBondContact O-N 2.84Å; L503-Q506 PolarHBondContact O-N 3.37Å; Q506-S510 WeakPolarHBondContact O-CB 3.48Å; Q506-S510 PolarHBondContact O-N 3.05Å; Q506-S510 PolarHBondContact O-OG 3.33Å; Q506-H574 HydrophobicContact CG-CB 4.41Å
507	F	87.3	Confident	85.3	Confident	81 Å²	81	35.4 Å²	35.4	36%	0.355	18%	0.181	S	C	.	.	H	α-helix	trans	-62	-54.4	177.4	177	-96.5	0	0	0	111.4	F483 F487 L503 L504 I509 S510 S511	F483-F507 HydrophobicContact CB-CE1 4.18Å; F483-F507 HydrophobicContact CB-CZ 4.23Å; F483-F507 HydrophobicContact CD1-CE1 4Å; F483-F507 AromaticContact CD1-CZ 3.7Å; F483-F507 HydrophobicContact CD1-CZ 3.7Å; F483-F507 HydrophobicContact CE1-CZ 4.2Å; F483-F507 HydrophobicContact CG-CE1 4.35Å; F483-F507 HydrophobicContact CG-CZ 4.01Å; F487-F507 HydrophobicContact CE2-CE1 4.47Å; L503-F507 WeakPolarHBondContact O-CB 3.33Å; L503-F507 PolarHBondContact O-N 3.44Å; L504-F507 PolarHBondContact O-N 2.88Å; F507-I509 PolarHBondContact O-N 2.96Å; F507-S510 PolarHBondContact O-N 2.8Å; F507-S511 WeakPolarHBondContact O-CB 3.45Å; F507-S511 PolarHBondContact O-N 2.79Å; F507-S511 PolarHBondContact O-OG 3.33Å
508	H	87.8	Confident	85.8	Confident	5 Å²	5	35.3 Å²	35.3	2%	0.023	18%	0.181	C	C	.	.	H	α-helix	trans	-53.4	-53.2	-178.2	172.5	45.3	0	0	0	112.1	V484 F487 W497 L504 S511 D512	V484-H508 PolarHBondContact O-CE1 3.5Å; F487-H508 HydrophobicContact CB-CB 4.43Å; F487-H508 HydrophobicContact CG-CB 4.45Å; W497-H508 HydrophobicContact CH2-CB 3.87Å; W497-H508 AromaticContact CH2-CD2 3.87Å; W497-H508 HydrophobicContact CZ3-CB 4.33Å; W497-H508 AromaticContact CZ3-CD2 3.42Å; W497-H508 VanDerWaalsContact CZ3-CD2 3.42Å; W497-H508 WeakPolarHBondContact CZ3-CD2 3.38Å; L504-H508 VanDerWaalsContact O-CB 3.26Å; L504-H508 WeakPolarHBondContact O-CB 3.49Å; L504-H508 PolarHBondContact O-N 2.89Å; H508-S511 PolarHBondContact O-N 3Å; H508-D512 WeakPolarHBondContact O-CB 3.42Å; H508-D512 PolarHBondContact O-N 3.35Å
509	I	84.1	Confident	86.4	Confident	22 Å²	22	34.6 Å²	34.6	11%	0.113	18%	0.177	C	C	.	.	H	α-helix	trans	-70.3	-35.6	-178.2	-55.3	171	0	0	0	111.2	C505 F507 I513 I583	C505-I509 WeakPolarHBondContact O-CG1 3.09Å; C505-I509 PolarHBondContact O-N 3.48Å; C505-I509 VanDerWaalsContact O-N 3.15Å; F507-I509 PolarHBondContact O-N 2.96Å; I509-I513 HydrophobicContact CG2-CD1 3.78Å; I509-I513 HydrophobicContact CG2-CG1 4.45Å; I509-I513 VanDerWaalsContact O-CD1 3.32Å; I509-I513 WeakPolarHBondContact O-CD1 3.35Å; I509-I513 VanDerWaalsContact O-CG1 3.26Å; I509-I513 WeakPolarHBondContact O-CG1 3.34Å; I509-I513 PolarHBondContact O-N 3.34Å; I509-I583 HydrophobicContact CB-CD1 4.24Å; I509-I583 HydrophobicContact CD1-CG1 4.11Å; I509-I583 HydrophobicContact CG2-CD1 3.43Å; I509-I583 VanDerWaalsContact CG2-CD1 3.43Å; I509-I583 HydrophobicContact CG2-CG1 3.98Å
510	S	86.4	Confident	86.4	Confident	13 Å²	13	33.5 Å²	33.5	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-64.6	-43	175.6	-64	0	0	0	0	111.9	Q506 F507 F514	Q506-S510 WeakPolarHBondContact O-CB 3.48Å; Q506-S510 PolarHBondContact O-N 3.05Å; Q506-S510 PolarHBondContact O-OG 3.33Å; F507-S510 PolarHBondContact O-N 2.8Å; S510-F514 WeakPolarHBondContact O-CB 3.47Å; S510-F514 PolarHBondContact O-N 3.46Å
511	S	89.9	Confident	86.9	Confident	13 Å²	13	27.8 Å²	27.8	9%	0.091	15%	0.146	C	C	.	.	H	α-helix	trans	-69.3	-37.9	178.8	-70.6	0	0	0	0	112.6	F507 H508 F514 L515	F507-S511 WeakPolarHBondContact O-CB 3.45Å; F507-S511 PolarHBondContact O-N 2.79Å; F507-S511 PolarHBondContact O-OG 3.33Å; H508-S511 PolarHBondContact O-N 3Å; S511-F514 PolarHBondContact O-N 2.99Å; S511-L515 VanDerWaalsContact O-CB 3.27Å; S511-L515 WeakPolarHBondContact O-CB 3.4Å; S511-L515 WeakPolarHBondContact O-CD1 3.42Å; S511-L515 WeakPolarHBondContact O-CG 3.38Å; S511-L515 PolarHBondContact O-N 2.9Å
512	D	87.8	Confident	87.3	Confident	37 Å²	37	26.8 Å²	26.8	20%	0.198	14%	0.139	C	C	.	.	H	α-helix	trans	-55.5	-61.6	171.9	177.9	26.5	0	0	0	111	Y392 V484 H508 F514 L515 C516	Y392-D512 PolarHBondContact OH-OD1 2.82Å; V484-D512 HydrophobicContact CG1-CB 3.82Å; V484-D512 HydrophobicContact CG2-CB 4.24Å; H508-D512 WeakPolarHBondContact O-CB 3.42Å; H508-D512 PolarHBondContact O-N 3.35Å; D512-F514 VanDerWaalsContact C-N 3.28Å; D512-F514 PolarHBondContact O-N 3.03Å; D512-L515 PolarHBondContact O-N 2.65Å; D512-C516 WeakPolarHBondContact O-CB 3.04Å; D512-C516 PolarHBondContact O-N 3.4Å
513	I	85.1	Confident	87.5	Confident	36 Å²	36	24.1 Å²	24.1	19%	0.185	12%	0.122	C	C	.	.	H	α-helix	trans	-55.6	-43.7	178.4	-62.7	162.5	0	0	0	111.1	I509 M517 I564 I583 Y585	I509-I513 HydrophobicContact CG2-CD1 3.78Å; I509-I513 HydrophobicContact CG2-CG1 4.45Å; I509-I513 VanDerWaalsContact O-CD1 3.32Å; I509-I513 WeakPolarHBondContact O-CD1 3.35Å; I509-I513 VanDerWaalsContact O-CG1 3.26Å; I509-I513 WeakPolarHBondContact O-CG1 3.34Å; I509-I513 PolarHBondContact O-N 3.34Å; I513-M517 WeakPolarHBondContact O-CB 3.4Å; I513-M517 PolarHBondContact O-N 3.18Å; I513-M517 VanDerWaalsContact O-N 3.12Å; I513-I564 HydrophobicContact CG2-CG1 4.42Å; I513-I583 HydrophobicContact CD1-CD1 4.29Å; I513-Y585 WeakPolarHBondContact CD1-OH 3.43Å
514	F	89.9	Confident	87.5	Confident	51 Å²	51	20.5 Å²	20.5	22%	0.224	10%	0.104	C	C	.	.	H	α-helix	trans	-59.2	-54.5	179.6	-178.7	-136.4	0	0	0	112.6	S510 S511 D512 S518 W557 P560 S561 I564	S510-F514 WeakPolarHBondContact O-CB 3.47Å; S510-F514 PolarHBondContact O-N 3.46Å; S511-F514 PolarHBondContact O-N 2.99Å; D512-F514 VanDerWaalsContact C-N 3.28Å; D512-F514 PolarHBondContact O-N 3.03Å; F514-S518 VanDerWaalsContact O-CB 3.25Å; F514-S518 WeakPolarHBondContact O-CB 3.34Å; F514-S518 PolarHBondContact O-N 2.87Å; F514-S518 PolarHBondContact O-OG 3.46Å; F514-W557 HydrophobicContact CE1-CE3 4.17Å; F514-W557 HydrophobicContact CE1-CZ3 4.05Å; F514-W557 HydrophobicContact CE2-CE3 4.18Å; F514-W557 AromaticContact CZ-CE3 3.64Å; F514-W557 HydrophobicContact CZ-CE3 3.64Å; F514-W557 HydrophobicContact CZ-CZ3 4.01Å; F514-P560 HydrophobicContact CD2-CB 3.79Å; F514-P560 HydrophobicContact CE2-CB 4.2Å; F514-S561 WeakPolarHBondContact CE2-OG 3.08Å; F514-I564 HydrophobicContact CB-CD1 3.42Å; F514-I564 VanDerWaalsContact CB-CD1 3.42Å; F514-I564 HydrophobicContact CB-CG1 4.31Å; F514-I564 HydrophobicContact CD2-CD1 3.52Å; F514-I564 HydrophobicContact CG-CD1 3.72Å
515	L	92.8	Very high	87.6	Confident	3 Å²	3	19.8 Å²	19.8	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-80.5	-38.5	-165.9	-64.1	170	0	0	0	110.9	L479 V480 F483 V484 S511 D512 S518 S519 W557	L479-L515 HydrophobicContact CB-CD1 3.82Å; L479-L515 HydrophobicContact CB-CD2 3.76Å; L479-L515 HydrophobicContact CB-CG 4.41Å; L479-L515 HydrophobicContact CD1-CD2 4.04Å; V480-L515 HydrophobicContact CG2-CB 3.57Å; V480-L515 HydrophobicContact CG2-CD1 4.48Å; F483-L515 HydrophobicContact CB-CD1 4.36Å; F483-L515 HydrophobicContact CD2-CD1 4.44Å; V484-L515 HydrophobicContact CG2-CD1 4.14Å; S511-L515 VanDerWaalsContact O-CB 3.27Å; S511-L515 WeakPolarHBondContact O-CB 3.4Å; S511-L515 WeakPolarHBondContact O-CD1 3.42Å; S511-L515 WeakPolarHBondContact O-CG 3.38Å; S511-L515 PolarHBondContact O-N 2.9Å; D512-L515 PolarHBondContact O-N 2.65Å; L515-S518 PolarHBondContact O-N 3.03Å; L515-S519 WeakPolarHBondContact O-CB 3.26Å; L515-S519 PolarHBondContact O-N 2.93Å; L515-W557 HydrophobicContact CD2-CH2 4.32Å; L515-W557 HydrophobicContact CD2-CZ3 3.89Å
516	C	87.5	Confident	87.6	Confident	11 Å²	11	20.5 Å²	20.5	7%	0.074	11%	0.105	C	C	.	.	H	α-helix	trans	-64.4	-46.7	172	-70.7	0	0	0	0	111.6	W362 D512 S518 S519 I520	W362-C516 HydrophobicContact CH2-CB 3.55Å; W362-C516 HydrophobicContact CZ2-CB 3.95Å; D512-C516 WeakPolarHBondContact O-CB 3.04Å; D512-C516 PolarHBondContact O-N 3.4Å; C516-S518 VanDerWaalsContact C-N 3.29Å; C516-S518 PolarHBondContact O-N 3.29Å; C516-S519 WeakPolarHBondContact O-CB 3.42Å; C516-S519 PolarHBondContact O-N 3.12Å; C516-I520 VanDerWaalsContact O-CG1 3.26Å; C516-I520 WeakPolarHBondContact O-CG1 3.28Å; C516-I520 PolarHBondContact O-N 2.99Å
517	M	87	Confident	87.5	Confident	16 Å²	16	18.3 Å²	18.3	8%	0.079	10%	0.096	C	C	.	.	H	α-helix	trans	-65.8	-32.4	176.2	-166.2	-173.4	-177.2	0	0	112.3	I513 I520 L521 I559 P560 L596	I513-M517 WeakPolarHBondContact O-CB 3.4Å; I513-M517 PolarHBondContact O-N 3.18Å; I513-M517 VanDerWaalsContact O-N 3.12Å; M517-I520 PolarHBondContact O-N 3.01Å; M517-L521 WeakPolarHBondContact O-CG 3.35Å; M517-L521 PolarHBondContact O-N 3.26Å; M517-I559 HydrophobicContact CE-CG2 4.1Å; M517-P560 HydrophobicContact CB-CB 4.07Å; M517-P560 HydrophobicContact CB-CG 4.08Å; M517-P560 HydrophobicContact CG-CB 4.23Å; M517-P560 HydrophobicContact CG-CG 3.93Å; M517-P560 HydrophobicContact SD-CB 4.1Å; M517-P560 HydrophobicContact SD-CG 4.15Å; M517-L596 HydrophobicContact CE-CD2 3.83Å; M517-L596 HydrophobicContact CE-CG 4.05Å
518	S	92.3	Very high	87.2	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.5	-43.3	171.9	-61.3	0	0	0	0	112.1	F514 L515 C516 I520 L521 N522	F514-S518 VanDerWaalsContact O-CB 3.25Å; F514-S518 WeakPolarHBondContact O-CB 3.34Å; F514-S518 PolarHBondContact O-N 2.87Å; F514-S518 PolarHBondContact O-OG 3.46Å; L515-S518 PolarHBondContact O-N 3.03Å; C516-S518 VanDerWaalsContact C-N 3.29Å; C516-S518 PolarHBondContact O-N 3.29Å; S518-I520 PolarHBondContact O-N 3.18Å; S518-L521 PolarHBondContact O-N 3.24Å; S518-N522 PolarHBondContact O-N 2.69Å; S518-N522 PolarHBondContact O-ND2 3.25Å
519	S	90.8	Very high	87.1	Confident	5 Å²	5	16.9 Å²	16.9	4%	0.035	9%	0.091	C	C	.	.	H	α-helix	trans	-58.4	-47.3	174.6	-171.8	0	0	0	0	110.6	L473 D477 L515 C516 L521 N522 L523	L473-S519 WeakPolarHBondContact CD1-O 3.13Å; L473-S519 VanDerWaalsContact CD1-OG 3.28Å; L473-S519 WeakPolarHBondContact CD1-OG 3.41Å; D477-S519 WeakPolarHBondContact OD1-CB 3.4Å; D477-S519 PolarHBondContact OD1-OG 2.95Å; L515-S519 WeakPolarHBondContact O-CB 3.26Å; L515-S519 PolarHBondContact O-N 2.93Å; C516-S519 WeakPolarHBondContact O-CB 3.42Å; C516-S519 PolarHBondContact O-N 3.12Å; S519-L521 PolarHBondContact O-N 3.25Å; S519-N522 WeakPolarHBondContact O-CB 3.46Å; S519-N522 PolarHBondContact O-N 3.02Å; S519-N522 VanDerWaalsContact O-N 3.13Å; S519-L523 PolarHBondContact O-N 3.38Å
520	I	86.2	Confident	86.9	Confident	7 Å²	7	16.2 Å²	16.2	4%	0.036	9%	0.087	C	C	.	.	H	α-helix	trans	-59.3	-44.6	177.2	-64.9	170	0	0	0	112.8	F358 C516 M517 S518 N522 L523 C524 A597 P601	F358-I520 HydrophobicContact CD2-CG1 4.37Å; F358-I520 HydrophobicContact CE2-CD1 3.76Å; F358-I520 HydrophobicContact CE2-CG1 3.48Å; F358-I520 VanDerWaalsContact CE2-CG1 3.48Å; F358-I520 HydrophobicContact CZ-CD1 3.89Å; F358-I520 HydrophobicContact CZ-CG1 3.77Å; F358-I520 HydrophobicContact CZ-CG2 4.05Å; C516-I520 VanDerWaalsContact O-CG1 3.26Å; C516-I520 WeakPolarHBondContact O-CG1 3.28Å; C516-I520 PolarHBondContact O-N 2.99Å; M517-I520 PolarHBondContact O-N 3.01Å; S518-I520 PolarHBondContact O-N 3.18Å; I520-N522 VanDerWaalsContact C-N 3.31Å; I520-N522 PolarHBondContact O-N 2.73Å; I520-L523 WeakPolarHBondContact O-CB 3.2Å; I520-L523 PolarHBondContact O-N 3.3Å; I520-C524 PolarHBondContact O-N 3.48Å; I520-C524 PolarHBondContact O-SG 3.45Å; I520-A597 WeakPolarHBondContact CG2-O 3.23Å; I520-P601 HydrophobicContact CG2-CB 4.1Å; I520-P601 HydrophobicContact CG2-CG 3.71Å
521	L	87.7	Confident	86.2	Confident	31 Å²	31	17.6 Å²	17.6	16%	0.162	9%	0.091	C	C	.	.	H	α-helix	trans	-72.5	-25.5	178.7	-68.3	178.3	0	0	0	112.7	M517 S518 S519 C524 C525 A556 I559 P560	M517-L521 WeakPolarHBondContact O-CG 3.35Å; M517-L521 PolarHBondContact O-N 3.26Å; S518-L521 PolarHBondContact O-N 3.24Å; S519-L521 PolarHBondContact O-N 3.25Å; L521-C524 WeakPolarHBondContact O-CB 3.1Å; L521-C524 PolarHBondContact O-N 3.23Å; L521-C525 PolarHBondContact O-N 2.95Å; L521-C525 PolarHBondContact O-SG 3.39Å; L521-A556 HydrophobicContact CB-CB 3.69Å; L521-I559 HydrophobicContact CD1-CB 3.78Å; L521-I559 HydrophobicContact CD1-CG2 3.76Å; L521-P560 HydrophobicContact CD1-CG 3.72Å
522	N	91.2	Very high	85.7	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-67.4	-40.9	167.5	-80.9	-81.9	0	0	0	111.4	S472 L473 S518 S519 I520 C524 C525 I526	S472-N522 WeakPolarHBondContact CB-OD1 3.41Å; S472-N522 PolarHBondContact OG-OD1 2.67Å; L473-N522 HydrophobicContact CB-CB 4.23Å; L473-N522 HydrophobicContact CD1-CB 4.01Å; S518-N522 PolarHBondContact O-N 2.69Å; S518-N522 PolarHBondContact O-ND2 3.25Å; S519-N522 WeakPolarHBondContact O-CB 3.46Å; S519-N522 PolarHBondContact O-N 3.02Å; S519-N522 VanDerWaalsContact O-N 3.13Å; I520-N522 VanDerWaalsContact C-N 3.31Å; I520-N522 PolarHBondContact O-N 2.73Å; N522-C524 VanDerWaalsContact C-N 3.31Å; N522-C524 PolarHBondContact O-N 3.01Å; N522-C525 WeakPolarHBondContact O-CB 3.18Å; N522-C525 PolarHBondContact O-N 3.48Å; N522-C525 VanDerWaalsContact O-N 3.13Å; N522-I526 WeakPolarHBondContact O-CG1 3.15Å; N522-I526 PolarHBondContact O-N 3.43Å
523	L	84.6	Confident	85.1	Confident	6 Å²	6	17.8 Å²	17.8	3%	0.031	9%	0.093	C	C	.	.	H	α-helix	trans	-60.6	-38.7	170.9	-63.6	-177.1	0	0	0	112.5	V354 F358 L473 S519 I520 I526 S527	V354-L523 HydrophobicContact CG1-CD1 4.42Å; V354-L523 HydrophobicContact CG1-CD2 3.39Å; F358-L523 HydrophobicContact CB-CD1 3.81Å; F358-L523 HydrophobicContact CD2-CD1 4.02Å; F358-L523 HydrophobicContact CG-CD1 3.82Å; L473-L523 HydrophobicContact CD1-CD2 3.73Å; L473-L523 HydrophobicContact CD1-CG 3.93Å; L473-L523 HydrophobicContact CD2-CD2 3.61Å; L473-L523 HydrophobicContact CG-CD2 4.34Å; S519-L523 PolarHBondContact O-N 3.38Å; I520-L523 WeakPolarHBondContact O-CB 3.2Å; I520-L523 PolarHBondContact O-N 3.3Å; L523-I526 HydrophobicContact CD2-CD1 4.46Å; L523-S527 WeakPolarHBondContact O-CB 3.46Å; L523-S527 PolarHBondContact O-N 2.91Å; L523-S527 PolarHBondContact O-OG 3.02Å
524	C	84.7	Confident	84.2	Confident	11 Å²	11	17.8 Å²	17.8	7%	0.074	9%	0.093	C	C	.	.	H	α-helix	trans	-61.8	-44.7	172	-65.5	0	0	0	0	111.5	I520 L521 N522 S527 I528	I520-C524 PolarHBondContact O-N 3.48Å; I520-C524 PolarHBondContact O-SG 3.45Å; L521-C524 WeakPolarHBondContact O-CB 3.1Å; L521-C524 PolarHBondContact O-N 3.23Å; N522-C524 VanDerWaalsContact C-N 3.31Å; N522-C524 PolarHBondContact O-N 3.01Å; C524-S527 PolarHBondContact O-N 3.25Å; C524-I528 WeakPolarHBondContact O-CD1 3.47Å; C524-I528 VanDerWaalsContact O-CG1 3.23Å; C524-I528 WeakPolarHBondContact O-CG1 3.25Å; C524-I528 PolarHBondContact O-N 3.28Å
525	C	88.5	Confident	83.1	Confident	10 Å²	10	16.9 Å²	16.9	7%	0.068	9%	0.093	C	C	.	.	H	α-helix	trans	-62	-44.4	178.1	-72.1	0	0	0	0	112.7	Y469 L521 N522 S527 I528 D529 M552	Y469-C525 HydrophobicContact CD1-CB 3.82Å; Y469-C525 HydrophobicContact CE1-CB 3.8Å; L521-C525 PolarHBondContact O-N 2.95Å; L521-C525 PolarHBondContact O-SG 3.39Å; N522-C525 WeakPolarHBondContact O-CB 3.18Å; N522-C525 PolarHBondContact O-N 3.48Å; N522-C525 VanDerWaalsContact O-N 3.13Å; C525-S527 VanDerWaalsContact C-N 3.3Å; C525-S527 PolarHBondContact O-N 3.21Å; C525-I528 PolarHBondContact O-N 2.93Å; C525-D529 VanDerWaalsContact O-CB 3.29Å; C525-D529 WeakPolarHBondContact O-CB 3.43Å; C525-D529 PolarHBondContact O-N 3.43Å; C525-M552 HydrophobicContact CB-CE 3.98Å; C525-M552 WeakPolarHBondContact O-CE 3.37Å; C525-M552 PolarHBondContact SG-O 2.82Å
526	I	84.9	Confident	82.1	Confident	15 Å²	15	22.2 Å²	22.2	8%	0.077	11%	0.114	C	C	.	.	H	α-helix	trans	-57.1	-46.2	173.1	-67.9	167.7	0	0	0	110.2	V351 Y469 L473 N522 L523 D529 R530	V351-I526 HydrophobicContact CB-CG2 4.33Å; V351-I526 HydrophobicContact CG1-CG2 3.91Å; V351-I526 HydrophobicContact CG2-CG2 3.41Å; V351-I526 VanDerWaalsContact CG2-CG2 3.41Å; Y469-I526 VanDerWaalsContact CB-CG1 3.49Å; Y469-I526 HydrophobicContact CG-CG1 4.22Å; L473-I526 HydrophobicContact CD2-CD1 4.09Å; N522-I526 WeakPolarHBondContact O-CG1 3.15Å; N522-I526 PolarHBondContact O-N 3.43Å; L523-I526 HydrophobicContact CD2-CD1 4.46Å; I526-D529 PolarHBondContact O-N 2.93Å; I526-R530 WeakPolarHBondContact O-CG 3.46Å; I526-R530 PolarHBondContact O-N 3.41Å
527	S	80.8	Confident	81.3	Confident	12 Å²	12	24.6 Å²	24.6	8%	0.084	13%	0.13	C	C	.	.	H	α-helix	trans	-68.2	-37.3	-178.6	-58.2	0	0	0	0	113.3	L523 C524 C525 Y531	L523-S527 WeakPolarHBondContact O-CB 3.46Å; L523-S527 PolarHBondContact O-N 2.91Å; L523-S527 PolarHBondContact O-OG 3.02Å; C524-S527 PolarHBondContact O-N 3.25Å; C525-S527 VanDerWaalsContact C-N 3.3Å; C525-S527 PolarHBondContact O-N 3.21Å; S527-Y531 VanDerWaalsContact O-CB 3.3Å; S527-Y531 WeakPolarHBondContact O-CB 3.48Å; S527-Y531 PolarHBondContact O-N 3.04Å; S527-Y531 VanDerWaalsContact O-N 3.14Å
528	I	82.3	Confident	80.7	Confident	53 Å²	53	28.8 Å²	28.8	27%	0.272	15%	0.152	S	C	.	.	H	α-helix	trans	-60.7	-52.5	171.1	-69.2	156.4	0	0	0	110	C524 C525 Y531 V532 M552 R608	C524-I528 WeakPolarHBondContact O-CD1 3.47Å; C524-I528 VanDerWaalsContact O-CG1 3.23Å; C524-I528 WeakPolarHBondContact O-CG1 3.25Å; C524-I528 PolarHBondContact O-N 3.28Å; C525-I528 PolarHBondContact O-N 2.93Å; I528-Y531 PolarHBondContact O-N 3.46Å; I528-V532 WeakPolarHBondContact O-CG2 3.45Å; I528-V532 PolarHBondContact O-N 2.73Å; I528-V532 VanDerWaalsContact O-N 3.07Å; I528-M552 HydrophobicContact CB-CE 3.87Å; I528-M552 HydrophobicContact CD1-CE 4.32Å; I528-M552 HydrophobicContact CG2-CE 3.68Å; I528-R608 VanDerWaalsContact CG1-NH1 3.3Å
529	D	84.9	Confident	79.9	Confident	2 Å²	2	33 Å²	33	1%	0.011	17%	0.172	C	C	.	.	H	α-helix	trans	-61.6	-47	-174.3	172.7	88.3	0	0	0	111.9	Y469 C525 I526 V532 A533 Y540 Q544	Y469-D529 HydrophobicContact CE2-CB 3.77Å; Y469-D529 WeakPolarHBondContact CE2-OD1 3.37Å; C525-D529 VanDerWaalsContact O-CB 3.29Å; C525-D529 WeakPolarHBondContact O-CB 3.43Å; C525-D529 PolarHBondContact O-N 3.43Å; I526-D529 PolarHBondContact O-N 2.93Å; D529-V532 PolarHBondContact O-N 3.11Å; D529-A533 WeakPolarHBondContact O-CB 3.13Å; D529-A533 PolarHBondContact O-N 2.97Å; D529-Y540 PolarHBondContact OD1-OH 3.28Å; D529-Q544 PolarHBondContact OD1-NE2 3.31Å
530	R	78.9	Confident	79.2	Confident	8 Å²	8	34.1 Å²	34.1	3%	0.03	18%	0.175	C	C	.	.	H	α-helix	trans	-63.2	-43.1	174.7	-63.9	-57.1	80.7	-165.9	-3.2	112.6	E344 V351 C466 I526 V532 A533 I534 Y540	E344-R530 IonicContact OE1-CZ 3.36Å; E344-R530 IonicContact OE1-NH1 3.7Å; E344-R530 PolarHBondContact OE1-NH1 3.41Å; E344-R530 IonicContact OE1-NH2 3.23Å; E344-R530 IonicContact OE2-CZ 2.76Å; E344-R530 IonicContact OE2-NH1 3.78Å; E344-R530 PolarHBondContact OE2-NH1 3.48Å; V351-R530 HydrophobicContact CG2-CG 3.98Å; C466-R530 VanDerWaalsContact SG-CZ 3.52Å; C466-R530 PolarHBondContact SG-NH2 2.93Å; I526-R530 WeakPolarHBondContact O-CG 3.46Å; I526-R530 PolarHBondContact O-N 3.41Å; R530-V532 VanDerWaalsContact C-N 3.32Å; R530-V532 PolarHBondContact O-N 3.15Å; R530-A533 WeakPolarHBondContact O-CB 3.45Å; R530-A533 PolarHBondContact O-N 3.39Å; R530-I534 HydrophobicContact CB-CD1 4.43Å; R530-I534 WeakPolarHBondContact O-CD1 3.24Å; R530-I534 VanDerWaalsContact O-CG1 3.3Å; R530-I534 WeakPolarHBondContact O-CG1 3.33Å; R530-I534 PolarHBondContact O-N 3.33Å; R530-I534 VanDerWaalsContact O-N 3.13Å; R530-Y540 PolarHBondContact NH2-OH 3.01Å
531	Y	73.5	Confident	78.6	Confident	43 Å²	43	39 Å²	39	17%	0.169	20%	0.2	C	C	.	.	H	α-helix	trans	-57.7	-44.2	177.6	170.2	-98.4	0	0	0	112.3	S527 I528 I534 S535 R608 V611	S527-Y531 VanDerWaalsContact O-CB 3.3Å; S527-Y531 WeakPolarHBondContact O-CB 3.48Å; S527-Y531 PolarHBondContact O-N 3.04Å; S527-Y531 VanDerWaalsContact O-N 3.14Å; I528-Y531 PolarHBondContact O-N 3.46Å; Y531-I534 PolarHBondContact O-N 3.05Å; Y531-S535 VanDerWaalsContact CE2-OG 3.23Å; Y531-S535 WeakPolarHBondContact CE2-OG 3.11Å; Y531-S535 VanDerWaalsContact O-CB 3.3Å; Y531-S535 WeakPolarHBondContact O-CB 3.26Å; Y531-S535 PolarHBondContact O-N 3.37Å; Y531-S535 PolarHBondContact O-OG 2.9Å; Y531-R608 HydrophobicContact CD1-CG 4.1Å; Y531-R608 HydrophobicContact CD2-CB 3.48Å; Y531-R608 VanDerWaalsContact CD2-CB 3.48Å; Y531-R608 HydrophobicContact CD2-CG 3.56Å; Y531-R608 HydrophobicContact CE1-CG 4.26Å; Y531-R608 HydrophobicContact CE2-CB 3.86Å; Y531-R608 HydrophobicContact CE2-CG 3.7Å; Y531-R608 HydrophobicContact CG-CB 4.01Å; Y531-R608 VanDerWaalsContact CG-CD 3.44Å; Y531-R608 HydrophobicContact CG-CG 3.75Å; Y531-V611 HydrophobicContact CE2-CB 3.91Å; Y531-V611 HydrophobicContact CE2-CG1 4.19Å; Y531-V611 HydrophobicContact CE2-CG2 3.83Å
532	V	78	Confident	78.1	Confident	48 Å²	48	42.9 Å²	42.9	29%	0.291	23%	0.225	S	C	.	.	H	α-helix	trans	-68	-39.3	177.9	178.9	0	0	0	0	111.2	I528 D529 R530 I534 Y536 Y540	I528-V532 WeakPolarHBondContact O-CG2 3.45Å; I528-V532 PolarHBondContact O-N 2.73Å; I528-V532 VanDerWaalsContact O-N 3.07Å; D529-V532 PolarHBondContact O-N 3.11Å; R530-V532 VanDerWaalsContact C-N 3.32Å; R530-V532 PolarHBondContact O-N 3.15Å; V532-I534 PolarHBondContact O-N 3.39Å; V532-Y536 PolarHBondContact O-N 3.4Å; V532-Y540 HydrophobicContact CB-CD2 4.4Å; V532-Y540 HydrophobicContact CG1-CD2 4.15Å
533	A	75	Confident	77.5	Confident	5 Å²	5	49.3 Å²	49.3	4%	0.041	25%	0.253	C	S	.	.	H	α-helix	trans	-58.2	-32.1	176.1	0	0	0	0	0	113.6	D529 R530 P537 Y540	D529-A533 WeakPolarHBondContact O-CB 3.13Å; D529-A533 PolarHBondContact O-N 2.97Å; R530-A533 WeakPolarHBondContact O-CB 3.45Å; R530-A533 PolarHBondContact O-N 3.39Å; A533-P537 VanDerWaalsContact O-CA 3.28Å; A533-P537 WeakPolarHBondContact O-CA 3.36Å; A533-P537 WeakPolarHBondContact O-CB 3.32Å; A533-Y540 VanDerWaalsContact CA-CD2 3.48Å; A533-Y540 VanDerWaalsContact CA-CG 3.45Å; A533-Y540 HydrophobicContact CB-CD1 3.94Å; A533-Y540 HydrophobicContact CB-CD2 3.66Å; A533-Y540 HydrophobicContact CB-CE1 4.04Å; A533-Y540 HydrophobicContact CB-CE2 3.72Å; A533-Y540 HydrophobicContact CB-CG 3.79Å
534	I	66.6	Low	77.2	Confident	37 Å²	37	50.7 Å²	50.7	19%	0.19	26%	0.26	C	S	.	.	H	α-helix	trans	-98.4	-39.3	-172.2	-64.2	157.8	0	0	0	111.8	E344 V348 R530 Y531 V532 P537 F612	E344-I534 HydrophobicContact CB-CG1 4.43Å; V348-I534 HydrophobicContact CG2-CD1 3.15Å; V348-I534 HydrophobicContact CG2-CG1 4.34Å; R530-I534 HydrophobicContact CB-CD1 4.43Å; R530-I534 WeakPolarHBondContact O-CD1 3.24Å; R530-I534 VanDerWaalsContact O-CG1 3.3Å; R530-I534 WeakPolarHBondContact O-CG1 3.33Å; R530-I534 PolarHBondContact O-N 3.33Å; R530-I534 VanDerWaalsContact O-N 3.13Å; Y531-I534 PolarHBondContact O-N 3.05Å; V532-I534 PolarHBondContact O-N 3.39Å; I534-P537 WeakPolarHBondContact O-CD 3.27Å; I534-F612 HydrophobicContact CD1-CE1 3.71Å; I534-F612 HydrophobicContact CD1-CZ 3.6Å; I534-F612 HydrophobicContact CG2-CE1 4.15Å; I534-F612 HydrophobicContact CG2-CZ 4.39Å
535	S	66.9	Low	77.2	Confident	32 Å²	32	52.5 Å²	52.5	22%	0.224	27%	0.272	C	S	.	.	H	α-helix	trans	-71.9	-33.1	177.6	-53.1	0	0	0	0	112	Y531	Y531-S535 VanDerWaalsContact CE2-OG 3.23Å; Y531-S535 WeakPolarHBondContact CE2-OG 3.11Å; Y531-S535 VanDerWaalsContact O-CB 3.3Å; Y531-S535 WeakPolarHBondContact O-CB 3.26Å; Y531-S535 PolarHBondContact O-N 3.37Å; Y531-S535 PolarHBondContact O-OG 2.9Å
536	Y	72.1	Confident	77.1	Confident	115 Å²	115	59.4 Å²	59.4	45%	0.451	30%	0.297	S	S	.	.	S	Bend	trans	-137	54.4	-173.6	-50.4	-71.3	0	0	0	113	V532 L538 Q539 Y540	V532-Y536 PolarHBondContact O-N 3.4Å; Y536-L538 VanDerWaalsContact C-N 3.3Å; Y536-L538 PolarHBondContact O-N 3.09Å; Y536-L538 VanDerWaalsContact O-N 3.09Å; Y536-Q539 CarbonylContact O-C 3.41Å; Y536-Q539 WeakPolarHBondContact O-CA 3.48Å; Y536-Q539 PolarHBondContact O-N 2.73Å; Y536-Y540 PolarHBondContact O-N 2.66Å
537	P	71	Confident	77.3	Confident	61 Å²	61	68.6 Å²	68.6	40%	0.396	33%	0.331	S	S	.	.	H	α-helix	trans	-55.1	-38	-168	19.4	-33	0	0	0	114.5	A533 I534 I541	A533-P537 VanDerWaalsContact O-CA 3.28Å; A533-P537 WeakPolarHBondContact O-CA 3.36Å; A533-P537 WeakPolarHBondContact O-CB 3.32Å; I534-P537 WeakPolarHBondContact O-CD 3.27Å; P537-I541 WeakPolarHBondContact O-CB 3.43Å; P537-I541 WeakPolarHBondContact O-CD1 3.46Å; P537-I541 VanDerWaalsContact O-CG1 3.23Å; P537-I541 WeakPolarHBondContact O-CG1 3.5Å; P537-I541 PolarHBondContact O-N 3.05Å
538	L	73.9	Confident	77.7	Confident	104 Å²	104	71.2 Å²	71.2	55%	0.545	34%	0.343	S	S	.	.	H	α-helix	trans	-70	-34.1	175.9	-68.7	177.8	0	0	0	113.3	Y536 T542	Y536-L538 VanDerWaalsContact C-N 3.3Å; Y536-L538 PolarHBondContact O-N 3.09Å; Y536-L538 VanDerWaalsContact O-N 3.09Å; L538-T542 WeakPolarHBondContact O-CG2 3.02Å; L538-T542 PolarHBondContact O-N 2.93Å; L538-T542 PolarHBondContact O-OG1 2.86Å
539	Q	75.6	Confident	78.1	Confident	89 Å²	89	68.7 Å²	68.7	42%	0.416	33%	0.33	S	S	.	.	H	α-helix	trans	-77.2	-36.2	174.9	-57.4	-162.6	37.5	0	0	111.2	Y536 T542 K543	Y536-Q539 CarbonylContact O-C 3.41Å; Y536-Q539 WeakPolarHBondContact O-CA 3.48Å; Y536-Q539 PolarHBondContact O-N 2.73Å; Q539-T542 WeakPolarHBondContact CA-OG1 3.32Å; Q539-T542 PolarHBondContact O-N 3.42Å; Q539-T542 PolarHBondContact O-OG1 3.04Å; Q539-K543 HydrophobicContact CB-CD 4.3Å; Q539-K543 WeakPolarHBondContact O-CB 3.24Å; Q539-K543 WeakPolarHBondContact O-CG 3.45Å; Q539-K543 PolarHBondContact O-N 2.93Å
540	Y	76.6	Confident	78.5	Confident	27 Å²	27	71.9 Å²	71.9	11%	0.106	35%	0.346	C	S	.	.	H	α-helix	trans	-61.7	-49.2	175.1	177.4	-88.3	0	0	0	111	D529 R530 V532 A533 Y536 T542 K543 Q544	D529-Y540 PolarHBondContact OD1-OH 3.28Å; R530-Y540 PolarHBondContact NH2-OH 3.01Å; V532-Y540 HydrophobicContact CB-CD2 4.4Å; V532-Y540 HydrophobicContact CG1-CD2 4.15Å; A533-Y540 VanDerWaalsContact CA-CD2 3.48Å; A533-Y540 VanDerWaalsContact CA-CG 3.45Å; A533-Y540 HydrophobicContact CB-CD1 3.94Å; A533-Y540 HydrophobicContact CB-CD2 3.66Å; A533-Y540 HydrophobicContact CB-CE1 4.04Å; A533-Y540 HydrophobicContact CB-CE2 3.72Å; A533-Y540 HydrophobicContact CB-CG 3.79Å; Y536-Y540 PolarHBondContact O-N 2.66Å; Y540-T542 PolarHBondContact O-N 3.32Å; Y540-K543 PolarHBondContact O-N 3.11Å; Y540-Q544 HydrophobicContact CD1-CB 4.43Å; Y540-Q544 HydrophobicContact CD2-CB 3.73Å; Y540-Q544 HydrophobicContact CD2-CG 4.01Å; Y540-Q544 HydrophobicContact CE1-CB 4.36Å; Y540-Q544 HydrophobicContact CE2-CB 3.69Å; Y540-Q544 HydrophobicContact CE2-CG 3.46Å; Y540-Q544 VanDerWaalsContact CE2-CG 3.46Å; Y540-Q544 HydrophobicContact CG-CB 4.1Å; Y540-Q544 WeakPolarHBondContact O-CB 3.41Å; Y540-Q544 PolarHBondContact O-N 2.95Å
541	I	73.5	Confident	79.2	Confident	109 Å²	109	76 Å²	76	56%	0.559	37%	0.368	S	S	*	.	H	α-helix	trans	-60.9	-28	178.5	-68.7	165.7	0	0	0	112.6	P537	P537-I541 WeakPolarHBondContact O-CB 3.43Å; P537-I541 WeakPolarHBondContact O-CD1 3.46Å; P537-I541 VanDerWaalsContact O-CG1 3.23Å; P537-I541 WeakPolarHBondContact O-CG1 3.5Å; P537-I541 PolarHBondContact O-N 3.05Å
542	T	76.3	Confident	80.1	Confident	114 Å²	114	75.3 Å²	75.3	70%	0.699	37%	0.367	S	S	*	.	H	α-helix	trans	-98.7	-24.3	-177.6	50.3	0	0	0	0	114.8	L538 Q539 Y540	L538-T542 WeakPolarHBondContact O-CG2 3.02Å; L538-T542 PolarHBondContact O-N 2.93Å; L538-T542 PolarHBondContact O-OG1 2.86Å; Q539-T542 WeakPolarHBondContact CA-OG1 3.32Å; Q539-T542 PolarHBondContact O-N 3.42Å; Q539-T542 PolarHBondContact O-OG1 3.04Å; Y540-T542 PolarHBondContact O-N 3.32Å
543	K	79.6	Confident	80.8	Confident	135 Å²	135	74.2 Å²	74.2	59%	0.587	36%	0.359	S	S	*	.	H	α-helix	trans	-107.1	-35.2	-177.9	-62.4	178.5	176.2	176.4	0	113.6	Q539 Y540 S545 I548	Q539-K543 HydrophobicContact CB-CD 4.3Å; Q539-K543 WeakPolarHBondContact O-CB 3.24Å; Q539-K543 WeakPolarHBondContact O-CG 3.45Å; Q539-K543 PolarHBondContact O-N 2.93Å; Y540-K543 PolarHBondContact O-N 3.11Å; K543-S545 PolarHBondContact O-N 2.86Å; K543-S545 VanDerWaalsContact O-N 3.13Å; K543-I548 VanDerWaalsContact O-CD1 3.3Å; K543-I548 WeakPolarHBondContact O-CD1 3.09Å
544	Q	77.8	Confident	81.8	Confident	35 Å²	35	78.3 Å²	78.3	16%	0.164	38%	0.38	C	S	.	.			trans	-73.4	111.8	-173.4	-170.2	72.8	-30.2	0	0	110	I465 D529 Y540	I465-Q544 HydrophobicContact CD1-CB 4.49Å; I465-Q544 HydrophobicContact CD1-CG 3.82Å; I465-Q544 WeakPolarHBondContact CD1-O 3.14Å; I465-Q544 HydrophobicContact CG2-CG 4.25Å; D529-Q544 PolarHBondContact OD1-NE2 3.31Å; Y540-Q544 HydrophobicContact CD1-CB 4.43Å; Y540-Q544 HydrophobicContact CD2-CB 3.73Å; Y540-Q544 HydrophobicContact CD2-CG 4.01Å; Y540-Q544 HydrophobicContact CE1-CB 4.36Å; Y540-Q544 HydrophobicContact CE2-CB 3.69Å; Y540-Q544 HydrophobicContact CE2-CG 3.46Å; Y540-Q544 VanDerWaalsContact CE2-CG 3.46Å; Y540-Q544 HydrophobicContact CG-CB 4.1Å; Y540-Q544 WeakPolarHBondContact O-CB 3.41Å; Y540-Q544 PolarHBondContact O-N 2.95Å
545	S	85	Confident	83.1	Confident	49 Å²	49	80.7 Å²	80.7	34%	0.343	39%	0.392	S	S	.	.			trans	-119.5	154.1	179.6	69	0	0	0	0	110.4	K543 R547 I548 S549	K543-S545 PolarHBondContact O-N 2.86Å; K543-S545 VanDerWaalsContact O-N 3.13Å; S545-R547 PolarHBondContact O-N 3.44Å; S545-I548 PolarHBondContact O-N 3.28Å; S545-S549 PolarHBondContact O-N 3.01Å; S545-S549 PolarHBondContact O-OG 2.93Å
546	R	86	Confident	84.3	Confident	155 Å²	155	79.2 Å²	79.2	59%	0.585	38%	0.382	S	S	*	.	H	α-helix	trans	-51.6	-28	174.9	172.5	167.6	175.3	-176.6	-4.5	113.2	L468 I550	L468-R546 HydrophobicContact CD1-CG 3.77Å; R546-I550 HydrophobicContact CG-CD1 3.78Å; R546-I550 HydrophobicContact CG-CG1 4.38Å; R546-I550 WeakPolarHBondContact O-CD1 3.49Å; R546-I550 VanDerWaalsContact O-CG1 3.26Å; R546-I550 WeakPolarHBondContact O-CG1 3.04Å; R546-I550 PolarHBondContact O-N 3.3Å
547	R	89	Confident	85.4	Confident	207 Å²	207	75.7 Å²	75.7	78%	0.781	37%	0.368	S	S	*	.	H	α-helix	trans	-64.3	-47	175	-66.9	-177.5	178.6	174.4	-0.7	111.9	S545 S549 I550 I551	S545-R547 PolarHBondContact O-N 3.44Å; R547-S549 VanDerWaalsContact C-N 3.31Å; R547-S549 PolarHBondContact O-N 3.32Å; R547-I550 PolarHBondContact O-N 3.49Å; R547-I551 VanDerWaalsContact O-CG1 3.31Å; R547-I551 WeakPolarHBondContact O-CG1 3.45Å; R547-I551 PolarHBondContact O-N 3.34Å
548	I	89.7	Confident	86.4	Confident	67 Å²	67	76.8 Å²	76.8	34%	0.344	37%	0.369	S	S	.	.	H	α-helix	trans	-61.9	-42.8	178.2	-62.3	172.6	0	0	0	110.2	K543 S545 I550 I551 M552	K543-I548 VanDerWaalsContact O-CD1 3.3Å; K543-I548 WeakPolarHBondContact O-CD1 3.09Å; S545-I548 PolarHBondContact O-N 3.28Å; I548-I550 PolarHBondContact O-N 2.87Å; I548-I551 PolarHBondContact O-N 3.48Å; I548-M552 HydrophobicContact CG2-SD 4.22Å; I548-M552 WeakPolarHBondContact O-CG 3.25Å; I548-M552 PolarHBondContact O-N 3.24Å
549	S	89.7	Confident	87	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-64.9	-39.4	179.5	-44	0	0	0	0	112.8	I465 Y469 S545 R547 M552 I553	I465-S549 WeakPolarHBondContact CG2-OG 3.21Å; Y469-S549 WeakPolarHBondContact OH-CA 3.36Å; Y469-S549 WeakPolarHBondContact OH-CB 3.32Å; Y469-S549 PolarHBondContact OH-OG 2.93Å; S545-S549 PolarHBondContact O-N 3.01Å; S545-S549 PolarHBondContact O-OG 2.93Å; R547-S549 VanDerWaalsContact C-N 3.31Å; R547-S549 PolarHBondContact O-N 3.32Å; S549-M552 PolarHBondContact O-N 3.49Å; S549-I553 WeakPolarHBondContact O-CG1 3.47Å; S549-I553 PolarHBondContact O-N 3.38Å
550	I	93	Very high	87.6	Confident	69 Å²	69	71.1 Å²	71.1	35%	0.354	34%	0.342	S	S	.	.	H	α-helix	trans	-64.6	-41.7	172.4	-70.4	166.2	0	0	0	110.9	R546 R547 I548 M552 I553 L554	R546-I550 HydrophobicContact CG-CD1 3.78Å; R546-I550 HydrophobicContact CG-CG1 4.38Å; R546-I550 WeakPolarHBondContact O-CD1 3.49Å; R546-I550 VanDerWaalsContact O-CG1 3.26Å; R546-I550 WeakPolarHBondContact O-CG1 3.04Å; R546-I550 PolarHBondContact O-N 3.3Å; R547-I550 PolarHBondContact O-N 3.49Å; I548-I550 PolarHBondContact O-N 2.87Å; I550-M552 PolarHBondContact O-N 2.89Å; I550-I553 PolarHBondContact O-N 3.19Å; I550-L554 HydrophobicContact CG2-CD1 3.95Å; I550-L554 HydrophobicContact CG2-CG 4.34Å; I550-L554 VanDerWaalsContact O-CG 3.31Å; I550-L554 WeakPolarHBondContact O-CG 3.27Å; I550-L554 PolarHBondContact O-N 3Å
551	I	93.7	Very high	88.1	Confident	94 Å²	94	72.2 Å²	72.2	48%	0.482	35%	0.354	S	S	.	.	H	α-helix	trans	-62	-43.6	176	-68.4	162.3	0	0	0	111.1	R547 I548 I553 L554 I555	R547-I551 VanDerWaalsContact O-CG1 3.31Å; R547-I551 WeakPolarHBondContact O-CG1 3.45Å; R547-I551 PolarHBondContact O-N 3.34Å; I548-I551 PolarHBondContact O-N 3.48Å; I551-I553 PolarHBondContact O-N 3.21Å; I551-L554 PolarHBondContact O-N 2.89Å; I551-I555 HydrophobicContact CG2-CD1 3.89Å; I551-I555 VanDerWaalsContact O-CG1 3.28Å; I551-I555 WeakPolarHBondContact O-CG1 3.23Å; I551-I555 PolarHBondContact O-N 3.37Å
552	M	92.1	Very high	88.6	Confident	29 Å²	29	73.4 Å²	73.4	14%	0.143	36%	0.355	C	S	.	.	H	α-helix	trans	-60.9	-43.6	174.8	-73.9	174.4	61.1	0	0	112.2	Y469 C525 I528 I548 S549 I550 I555 A556	Y469-M552 HydrophobicContact CE1-CB 4.04Å; Y469-M552 HydrophobicContact CE1-CE 4.16Å; Y469-M552 PolarHBondContact OH-SD 2.86Å; C525-M552 HydrophobicContact CB-CE 3.98Å; C525-M552 WeakPolarHBondContact O-CE 3.37Å; C525-M552 PolarHBondContact SG-O 2.82Å; I528-M552 HydrophobicContact CB-CE 3.87Å; I528-M552 HydrophobicContact CD1-CE 4.32Å; I528-M552 HydrophobicContact CG2-CE 3.68Å; I548-M552 HydrophobicContact CG2-SD 4.22Å; I548-M552 WeakPolarHBondContact O-CG 3.25Å; I548-M552 PolarHBondContact O-N 3.24Å; S549-M552 PolarHBondContact O-N 3.49Å; I550-M552 PolarHBondContact O-N 2.89Å; M552-I555 PolarHBondContact O-N 3.21Å; M552-A556 PolarHBondContact O-N 3.38Å
553	I	94.6	Very high	88.4	Confident	25 Å²	25	69.1 Å²	69.1	13%	0.128	33%	0.329	C	S	.	.	H	α-helix	trans	-61.2	-48.1	174.7	-73.4	164.5	0	0	0	110.7	L468 Y469 S472 S549 I550 I551 I555 A556 W557	L468-I553 HydrophobicContact CB-CD1 4.04Å; Y469-I553 HydrophobicContact CD1-CD1 3.94Å; Y469-I553 HydrophobicContact CD1-CG1 3.67Å; Y469-I553 HydrophobicContact CE1-CD1 4.37Å; Y469-I553 HydrophobicContact CE1-CG1 4.01Å; S472-I553 WeakPolarHBondContact OG-CG2 3.35Å; S549-I553 WeakPolarHBondContact O-CG1 3.47Å; S549-I553 PolarHBondContact O-N 3.38Å; I550-I553 PolarHBondContact O-N 3.19Å; I551-I553 PolarHBondContact O-N 3.21Å; I553-I555 VanDerWaalsContact C-N 3.3Å; I553-I555 PolarHBondContact O-N 3.5Å; I553-A556 WeakPolarHBondContact O-CA 3.39Å; I553-A556 WeakPolarHBondContact O-CB 3.26Å; I553-A556 PolarHBondContact O-N 3.45Å; I553-W557 VanDerWaalsContact O-CD1 3.25Å; I553-W557 PolarHBondContact O-N 3.07Å
554	L	95.3	Very high	88.4	Confident	92 Å²	92	63.4 Å²	63.4	48%	0.482	31%	0.305	S	S	.	.	H	α-helix	trans	-58.4	-42	177.8	-71.8	169.5	0	0	0	111.7	I550 I551 A556 W557 I558	I550-L554 HydrophobicContact CG2-CD1 3.95Å; I550-L554 HydrophobicContact CG2-CG 4.34Å; I550-L554 VanDerWaalsContact O-CG 3.31Å; I550-L554 WeakPolarHBondContact O-CG 3.27Å; I550-L554 PolarHBondContact O-N 3Å; I551-L554 PolarHBondContact O-N 2.89Å; L554-A556 VanDerWaalsContact C-N 3.31Å; L554-A556 PolarHBondContact O-N 3.39Å; L554-W557 PolarHBondContact O-N 3.3Å; L554-I558 HydrophobicContact CB-CD1 4.26Å; L554-I558 VanDerWaalsContact O-CB 3.29Å; L554-I558 WeakPolarHBondContact O-CB 3.21Å; L554-I558 WeakPolarHBondContact O-CD1 3.3Å; L554-I558 WeakPolarHBondContact O-CG1 3.47Å; L554-I558 PolarHBondContact O-N 3Å
555	I	92.7	Very high	88.2	Confident	86 Å²	86	64.8 Å²	64.8	44%	0.441	31%	0.313	S	S	.	.	H	α-helix	trans	-60.2	-40.6	174.1	-69.2	164.3	0	0	0	111.3	I551 M552 I553 W557 I558 I559	I551-I555 HydrophobicContact CG2-CD1 3.89Å; I551-I555 VanDerWaalsContact O-CG1 3.28Å; I551-I555 WeakPolarHBondContact O-CG1 3.23Å; I551-I555 PolarHBondContact O-N 3.37Å; M552-I555 PolarHBondContact O-N 3.21Å; I553-I555 VanDerWaalsContact C-N 3.3Å; I553-I555 PolarHBondContact O-N 3.5Å; I555-W557 VanDerWaalsContact C-N 3.27Å; I555-W557 PolarHBondContact O-N 2.66Å; I555-I558 PolarHBondContact O-N 3.46Å; I555-I559 HydrophobicContact CG2-CD1 3.56Å; I555-I559 HydrophobicContact CG2-CG1 4.16Å; I555-I559 WeakPolarHBondContact O-CG1 3.46Å; I555-I559 PolarHBondContact O-N 3.12Å
556	A	92.4	Very high	87.3	Confident	2 Å²	2	64 Å²	64	2%	0.017	31%	0.307	C	S	.	.	H	α-helix	trans	-66.1	-22.6	178.2	0	0	0	0	0	114.4	L521 M552 I553 L554 P560	L521-A556 HydrophobicContact CB-CB 3.69Å; M552-A556 PolarHBondContact O-N 3.38Å; I553-A556 WeakPolarHBondContact O-CA 3.39Å; I553-A556 WeakPolarHBondContact O-CB 3.26Å; I553-A556 PolarHBondContact O-N 3.45Å; L554-A556 VanDerWaalsContact C-N 3.31Å; L554-A556 PolarHBondContact O-N 3.39Å; A556-P560 WeakPolarHBondContact O-CD 3.18Å; A556-P560 VanDerWaalsContact O-CG 3.26Å; A556-P560 WeakPolarHBondContact O-CG 3.38Å
557	W	95.3	Very high	86.1	Confident	41 Å²	41	56.8 Å²	56.8	16%	0.155	28%	0.28	C	S	.	.	H	α-helix	trans	-95.2	-29.7	172.2	-70.8	98.2	0	0	0	113.2	S472 L475 A476 L479 F514 L515 I553 L554 I555 S561	S472-W557 PolarHBondContact OG-NE1 3.22Å; L475-W557 HydrophobicContact CB-CZ2 4.48Å; L475-W557 HydrophobicContact CD2-CZ2 4.22Å; L475-W557 HydrophobicContact CG-CH2 4.42Å; L475-W557 HydrophobicContact CG-CZ2 4.25Å; A476-W557 HydrophobicContact CB-CH2 3.84Å; A476-W557 HydrophobicContact CB-CZ2 4.02Å; L479-W557 HydrophobicContact CD1-CH2 4.21Å; F514-W557 HydrophobicContact CE1-CE3 4.17Å; F514-W557 HydrophobicContact CE1-CZ3 4.05Å; F514-W557 HydrophobicContact CE2-CE3 4.18Å; F514-W557 AromaticContact CZ-CE3 3.64Å; F514-W557 HydrophobicContact CZ-CE3 3.64Å; F514-W557 HydrophobicContact CZ-CZ3 4.01Å; L515-W557 HydrophobicContact CD2-CH2 4.32Å; L515-W557 HydrophobicContact CD2-CZ3 3.89Å; I553-W557 VanDerWaalsContact O-CD1 3.25Å; I553-W557 PolarHBondContact O-N 3.07Å; L554-W557 PolarHBondContact O-N 3.3Å; I555-W557 VanDerWaalsContact C-N 3.27Å; I555-W557 PolarHBondContact O-N 2.66Å; W557-S561 PolarHBondContact O-N 3.24Å; W557-S561 PolarHBondContact O-OG 3.49Å
558	I	92.3	Very high	85.1	Confident	83 Å²	83	51.3 Å²	51.3	43%	0.426	27%	0.266	S	S	.	.	H	α-helix	trans	-74.8	-40.9	-180	-72.6	166.3	0	0	0	112	L554 I555 S561 F562	L554-I558 HydrophobicContact CB-CD1 4.26Å; L554-I558 VanDerWaalsContact O-CB 3.29Å; L554-I558 WeakPolarHBondContact O-CB 3.21Å; L554-I558 WeakPolarHBondContact O-CD1 3.3Å; L554-I558 WeakPolarHBondContact O-CG1 3.47Å; L554-I558 PolarHBondContact O-N 3Å; I555-I558 PolarHBondContact O-N 3.46Å; I558-S561 WeakPolarHBondContact O-CB 3.39Å; I558-S561 PolarHBondContact O-N 3.24Å; I558-F562 HydrophobicContact CG2-CD2 3.89Å; I558-F562 HydrophobicContact CG2-CE2 3.52Å; I558-F562 VanDerWaalsContact O-CD2 3.25Å; I558-F562 WeakPolarHBondContact O-CD2 3.39Å; I558-F562 PolarHBondContact O-N 2.88Å
559	I	87.4	Confident	84.1	Confident	73 Å²	73	55.8 Å²	55.8	37%	0.374	28%	0.283	S	S	.	.	H	α-helix	trans	-60.7	-48.1	179.2	-69.7	172.3	0	0	0	111.7	M517 L521 I555 S561 F562 S563	M517-I559 HydrophobicContact CE-CG2 4.1Å; L521-I559 HydrophobicContact CD1-CB 3.78Å; L521-I559 HydrophobicContact CD1-CG2 3.76Å; I555-I559 HydrophobicContact CG2-CD1 3.56Å; I555-I559 HydrophobicContact CG2-CG1 4.16Å; I555-I559 WeakPolarHBondContact O-CG1 3.46Å; I555-I559 PolarHBondContact O-N 3.12Å; I559-S561 VanDerWaalsContact C-N 3.31Å; I559-S561 PolarHBondContact O-N 3.43Å; I559-F562 PolarHBondContact O-N 3.25Å; I559-F562 VanDerWaalsContact O-N 3.14Å; I559-S563 PolarHBondContact O-N 3.05Å; I559-S563 PolarHBondContact O-OG 3.02Å
560	P	87.9	Confident	82.7	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-62.3	-36.7	175.5	-27.7	40.1	0	0	0	112.9	F514 M517 L521 A556 F562 S563 I564	F514-P560 HydrophobicContact CD2-CB 3.79Å; F514-P560 HydrophobicContact CE2-CB 4.2Å; M517-P560 HydrophobicContact CB-CB 4.07Å; M517-P560 HydrophobicContact CB-CG 4.08Å; M517-P560 HydrophobicContact CG-CB 4.23Å; M517-P560 HydrophobicContact CG-CG 3.93Å; M517-P560 HydrophobicContact SD-CB 4.1Å; M517-P560 HydrophobicContact SD-CG 4.15Å; L521-P560 HydrophobicContact CD1-CG 3.72Å; A556-P560 WeakPolarHBondContact O-CD 3.18Å; A556-P560 VanDerWaalsContact O-CG 3.26Å; A556-P560 WeakPolarHBondContact O-CG 3.38Å; P560-F562 PolarHBondContact O-N 2.83Å; P560-S563 WeakPolarHBondContact O-CB 3.4Å; P560-S563 PolarHBondContact O-N 2.9Å; P560-I564 WeakPolarHBondContact O-CD1 3.29Å; P560-I564 WeakPolarHBondContact O-CG1 3.45Å; P560-I564 PolarHBondContact O-N 2.82Å
561	S	87.4	Confident	81.1	Confident	51 Å²	51	62.3 Å²	62.3	36%	0.357	33%	0.33	S	S	.	.	H	α-helix	trans	-54.5	-38.6	174.5	-59.8	0	0	0	0	112	F514 W557 I558 I559	F514-S561 WeakPolarHBondContact CE2-OG 3.08Å; W557-S561 PolarHBondContact O-N 3.24Å; W557-S561 PolarHBondContact O-OG 3.49Å; I558-S561 WeakPolarHBondContact O-CB 3.39Å; I558-S561 PolarHBondContact O-N 3.24Å; I559-S561 VanDerWaalsContact C-N 3.31Å; I559-S561 PolarHBondContact O-N 3.43Å
562	F	82.5	Confident	79.7	Confident	134 Å²	134	58.3 Å²	58.3	59%	0.588	31%	0.311	S	S	*	.	H	α-helix	trans	-72.9	-33.6	174.6	-75.5	-66.4	0	0	0	113.5	I558 I559 P560 I564 L565 P566	I558-F562 HydrophobicContact CG2-CD2 3.89Å; I558-F562 HydrophobicContact CG2-CE2 3.52Å; I558-F562 VanDerWaalsContact O-CD2 3.25Å; I558-F562 WeakPolarHBondContact O-CD2 3.39Å; I558-F562 PolarHBondContact O-N 2.88Å; I559-F562 PolarHBondContact O-N 3.25Å; I559-F562 VanDerWaalsContact O-N 3.14Å; P560-F562 PolarHBondContact O-N 2.83Å; F562-I564 PolarHBondContact O-N 3.15Å; F562-L565 HydrophobicContact CD1-CD1 3.77Å; F562-L565 HydrophobicContact CE1-CD1 4.37Å; F562-L565 PolarHBondContact O-N 2.96Å; F562-P566 WeakPolarHBondContact O-CD 3.17Å
563	S	73.5	Confident	78.4	Confident	23 Å²	23	64.8 Å²	64.8	16%	0.161	34%	0.338	C	S	.	.	H	α-helix	trans	-67	-17.2	-179.7	-64.8	0	0	0	0	114.6	I559 P560 P566 Y589	I559-S563 PolarHBondContact O-N 3.05Å; I559-S563 PolarHBondContact O-OG 3.02Å; P560-S563 WeakPolarHBondContact O-CB 3.4Å; P560-S563 PolarHBondContact O-N 2.9Å; S563-P566 WeakPolarHBondContact O-CD 3.3Å; S563-Y589 PolarHBondContact O-OH 3.17Å
564	I	78.6	Confident	77.1	Confident	16 Å²	16	65 Å²	65	8%	0.082	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-16.8	179.7	-54.1	142.8	0	0	0	111.9	I513 F514 P560 F562 P567 L568	I513-I564 HydrophobicContact CG2-CG1 4.42Å; F514-I564 HydrophobicContact CB-CD1 3.42Å; F514-I564 VanDerWaalsContact CB-CD1 3.42Å; F514-I564 HydrophobicContact CB-CG1 4.31Å; F514-I564 HydrophobicContact CD2-CD1 3.52Å; F514-I564 HydrophobicContact CG-CD1 3.72Å; P560-I564 WeakPolarHBondContact O-CD1 3.29Å; P560-I564 WeakPolarHBondContact O-CG1 3.45Å; P560-I564 PolarHBondContact O-N 2.82Å; F562-I564 PolarHBondContact O-N 3.15Å; I564-P567 VanDerWaalsContact O-CD 3.26Å; I564-P567 WeakPolarHBondContact O-CD 3.47Å; I564-L568 HydrophobicContact CG2-CD1 3.74Å; I564-L568 HydrophobicContact CG2-CG 3.98Å; I564-L568 WeakPolarHBondContact O-CG 3.48Å; I564-L568 PolarHBondContact O-N 3.09Å; I564-L568 VanDerWaalsContact O-N 3.16Å
565	L	74.3	Confident	76	Confident	64 Å²	64	62.7 Å²	62.7	34%	0.335	33%	0.328	S	S	.	.	H	α-helix	trans	-61.9	-37.7	178.9	-55.1	-174.1	0	0	0	113.2	F562 L568 F569	F562-L565 HydrophobicContact CD1-CD1 3.77Å; F562-L565 HydrophobicContact CE1-CD1 4.37Å; F562-L565 PolarHBondContact O-N 2.96Å; L565-L568 PolarHBondContact O-N 3.32Å; L565-F569 HydrophobicContact CB-CD2 3.93Å; L565-F569 HydrophobicContact CB-CE2 4.05Å; L565-F569 HydrophobicContact CD1-CE2 4.47Å; L565-F569 HydrophobicContact CD2-CE2 4.14Å; L565-F569 HydrophobicContact CG-CE2 4.44Å; L565-F569 WeakPolarHBondContact O-CB 3.32Å; L565-F569 VanDerWaalsContact O-CD2 3.28Å; L565-F569 WeakPolarHBondContact O-CD2 3.39Å; L565-F569 PolarHBondContact O-N 3.15Å
566	P	64.9	Low	75.1	Confident	32 Å²	32	60.5 Å²	60.5	21%	0.208	32%	0.319	C	S	.	.	H	α-helix	trans	-60.9	-46.3	176.6	-23	34.2	0	0	0	114.5	F562 S563 M571 Y589	F562-P566 WeakPolarHBondContact O-CD 3.17Å; S563-P566 WeakPolarHBondContact O-CD 3.3Å; P566-M571 HydrophobicContact CB-CB 4.33Å; P566-M571 HydrophobicContact CB-CE 3.62Å; P566-M571 HydrophobicContact CG-CE 4.03Å; P566-M571 WeakPolarHBondContact O-CA 3.18Å; P566-M571 WeakPolarHBondContact O-CB 3.34Å; P566-M571 PolarHBondContact O-N 3.25Å; P566-Y589 HydrophobicContact CB-CE2 4.38Å
567	P	62.6	Low	73.8	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.019	33%	0.327	C	S	.	.	H	α-helix	trans	-54	-54	165.6	-28.9	34.3	0	0	0	113.9	I564 F569 G570 H574 I583	I564-P567 VanDerWaalsContact O-CD 3.26Å; I564-P567 WeakPolarHBondContact O-CD 3.47Å; P567-F569 PolarHBondContact O-N 3.24Å; P567-G570 PolarHBondContact O-N 3Å; P567-H574 WeakPolarHBondContact CB-NE2 3.43Å; P567-I583 HydrophobicContact CB-CD1 4.06Å; P567-I583 HydrophobicContact CG-CD1 4.23Å
568	L	67	Low	72.4	Confident	92 Å²	92	62.7 Å²	62.7	48%	0.482	34%	0.34	S	S	.	.	H	α-helix	trans	-66.8	-31.2	-172.1	-68.9	177.2	0	0	0	114.4	I564 L565 G570	I564-L568 HydrophobicContact CG2-CD1 3.74Å; I564-L568 HydrophobicContact CG2-CG 3.98Å; I564-L568 WeakPolarHBondContact O-CG 3.48Å; I564-L568 PolarHBondContact O-N 3.09Å; I564-L568 VanDerWaalsContact O-N 3.16Å; L565-L568 PolarHBondContact O-N 3.32Å; L568-G570 VanDerWaalsContact C-N 3.27Å; L568-G570 PolarHBondContact O-N 3.17Å
569	F	68.8	Low	71.3	Confident	162 Å²	162	59.2 Å²	59.2	71%	0.711	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	14.3	174	-70	-64.9	0	0	0	113.6	L565 P567 M571	L565-F569 HydrophobicContact CB-CD2 3.93Å; L565-F569 HydrophobicContact CB-CE2 4.05Å; L565-F569 HydrophobicContact CD1-CE2 4.47Å; L565-F569 HydrophobicContact CD2-CE2 4.14Å; L565-F569 HydrophobicContact CG-CE2 4.44Å; L565-F569 WeakPolarHBondContact O-CB 3.32Å; L565-F569 VanDerWaalsContact O-CD2 3.28Å; L565-F569 WeakPolarHBondContact O-CD2 3.39Å; L565-F569 PolarHBondContact O-N 3.15Å; P567-F569 PolarHBondContact O-N 3.24Å; F569-M571 PolarHBondContact O-N 3.43Å
570	G	60.2	Low	70.5	Confident	60 Å²	60	56.5 Å²	56.5	62%	0.619	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	17.8	171.4	0	0	0	0	0	115.1	P567 L568 S572	P567-G570 PolarHBondContact O-N 3Å; L568-G570 VanDerWaalsContact C-N 3.27Å; L568-G570 PolarHBondContact O-N 3.17Å; G570-S572 PolarHBondContact O-N 3.44Å
571	M	60.4	Low	70.1	Confident	145 Å²	145	57 Å²	57	71%	0.714	32%	0.316	S	S	*	.	S	Bend	trans	-76.7	-4.6	170.1	-52.5	-152.6	-59.9	0	0	112.3	P566 F569	P566-M571 HydrophobicContact CB-CB 4.33Å; P566-M571 HydrophobicContact CB-CE 3.62Å; P566-M571 HydrophobicContact CG-CE 4.03Å; P566-M571 WeakPolarHBondContact O-CA 3.18Å; P566-M571 WeakPolarHBondContact O-CB 3.34Å; P566-M571 PolarHBondContact O-N 3.25Å; F569-M571 PolarHBondContact O-N 3.43Å
572	S	63.7	Low	69.6	Low	11 Å²	11	59.8 Å²	59.8	8%	0.077	32%	0.319	C	S	.	.	S	Bend	trans	-134.4	141.7	167.7	-55.3	0	0	0	0	109.1	G570 H574 I583	G570-S572 PolarHBondContact O-N 3.44Å; S572-H574 PolarHBondContact O-N 3.36Å; S572-I583 VanDerWaalsContact CB-CG2 3.43Å
573	K	64.7	Low	69.2	Low	165 Å²	165	53.8 Å²	53.8	72%	0.717	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	102.9	-179.1	-71.4	-175.8	179.6	-178.6	0	109.3	V575 S584	K573-V575 PolarHBondContact O-N 2.97Å; K573-S584 PolarHBondContact N-O 3.01Å; K573-S584 VanDerWaalsContact O-CB 3.29Å; K573-S584 WeakPolarHBondContact O-CB 3.37Å; K573-S584 PolarHBondContact O-N 2.71Å
574	H	68.1	Low	69	Low	30 Å²	30	55.6 Å²	55.6	14%	0.139	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	121.3	162.8	-72.1	-104.5	0	0	0	108.5	Q506 P567 S572 T576 I583	Q506-H574 HydrophobicContact CG-CB 4.41Å; P567-H574 WeakPolarHBondContact CB-NE2 3.43Å; S572-H574 PolarHBondContact O-N 3.36Å; H574-T576 HydrophobicContact CB-CG2 3.89Å; H574-I583 VanDerWaalsContact CE1-CD1 3.46Å; H574-I583 WeakPolarHBondContact CE1-CD1 3.49Å
575	V	71.3	Confident	68.6	Low	43 Å²	43	56.5 Å²	56.5	26%	0.261	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	107.5	171.1	-176.3	0	0	0	0	106.2	K573 C580 C581 Y582	K573-V575 PolarHBondContact O-N 2.97Å; V575-C580 HydrophobicContact CG1-CB 4.2Å; V575-C580 CarbonylContact O-C 3.48Å; V575-C581 WeakPolarHBondContact O-CA 3.37Å; V575-Y582 HydrophobicContact CB-CD1 4.14Å; V575-Y582 HydrophobicContact CB-CD2 4.28Å; V575-Y582 HydrophobicContact CB-CE1 3.77Å; V575-Y582 HydrophobicContact CB-CE2 3.93Å; V575-Y582 HydrophobicContact CB-CG 4.39Å; V575-Y582 HydrophobicContact CG1-CD1 4.44Å; V575-Y582 HydrophobicContact CG1-CE1 3.71Å; V575-Y582 HydrophobicContact CG2-CD2 4.29Å; V575-Y582 HydrophobicContact CG2-CE1 4.35Å; V575-Y582 HydrophobicContact CG2-CE2 3.68Å; V575-Y582 PolarHBondContact N-O 3.18Å; V575-Y582 PolarHBondContact O-N 3.15Å
576	T	73.8	Confident	68.5	Low	40 Å²	40	56.2 Å²	56.2	25%	0.245	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134	-172.9	69	0	0	0	0	111.5	T502 C505 H574 C580	T502-T576 HydrophobicContact CG2-CG2 3.93Å; T502-T576 WeakPolarHBondContact CG2-OG1 3.45Å; T502-T576 PolarHBondContact OG1-OG1 3.37Å; C505-T576 HydrophobicContact CB-CG2 3.83Å; H574-T576 HydrophobicContact CB-CG2 3.89Å; T576-C580 CarbonylContact C-O 3.58Å; T576-C580 VanDerWaalsContact CA-O 3.23Å; T576-C580 WeakPolarHBondContact CA-O 3.33Å
577	G	64.6	Low	69	Low	19 Å²	19	58.3 Å²	58.3	20%	0.196	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.8	180	171.6	0	0	0	0	0	109.9	G579 C580	G577-G579 PolarHBondContact O-N 2.92Å; G577-C580 PolarHBondContact N-O 2.86Å; G577-C580 CarbonylContact O-C 3.54Å; G577-C580 PolarHBondContact O-N 3.31Å
578	V	66.8	Low	69.6	Low	70 Å²	70	64.3 Å²	64.3	42%	0.424	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	129.8	170.7	-174.5	0	0	0	0	108.9	Y496 E500 C580	Y496-V578 HydrophobicContact CE2-CG1 4.31Å; E500-V578 HydrophobicContact CB-CG2 3.97Å; E500-V578 HydrophobicContact CG-CG2 4.38Å; V578-C580 PolarHBondContact O-N 3.24Å
579	G	68.6	Low	70	Confident	10 Å²	10	61.6 Å²	61.6	10%	0.103	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-10.3	-174.9	0	0	0	0	0	115.9	C4 W497 G577	C4-G579 VanDerWaalsContact SG-C 3.56Å; C4-G579 PolarHBondContact SG-O 2.88Å; W497-G579 PolarHBondContact O-N 3.42Å; G577-G579 PolarHBondContact O-N 2.92Å
580	C	70.8	Confident	70.3	Confident	16 Å²	16	56 Å²	56	11%	0.108	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	106.7	-171.8	-98.6	0	0	0	0	111.4	C4 V575 T576 G577 V578	C4-C580 WeakPolarHBondContact CB-SG 3.41Å; C4-C580 WeakPolarHBondContact SG-CB 3.45Å; C4-C580 CovalentContact SG-SG 2.05Å; C4-C580 PolarHBondContact SG-SG 3.02Å; V575-C580 HydrophobicContact CG1-CB 4.2Å; V575-C580 CarbonylContact O-C 3.48Å; T576-C580 CarbonylContact C-O 3.58Å; T576-C580 VanDerWaalsContact CA-O 3.23Å; T576-C580 WeakPolarHBondContact CA-O 3.33Å; G577-C580 PolarHBondContact N-O 2.86Å; G577-C580 CarbonylContact O-C 3.54Å; G577-C580 PolarHBondContact O-N 3.31Å; V578-C580 PolarHBondContact O-N 3.24Å
581	C	79	Confident	71.3	Confident	12 Å²	12	56.2 Å²	56.2	8%	0.081	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	96	166.8	177.7	0	0	0	0	111.6	W497 C505 V575	W497-C581 HydrophobicContact CB-CB 3.73Å; W497-C581 HydrophobicContact CD2-CB 3.34Å; W497-C581 HydrophobicContact CE3-CB 3.88Å; W497-C581 HydrophobicContact CG-CB 3.26Å; C505-C581 WeakPolarHBondContact CA-SG 3.48Å; C505-C581 HydrophobicContact CB-CB 3.92Å; C505-C581 WeakPolarHBondContact CB-SG 3.33Å; C505-C581 WeakPolarHBondContact SG-CA 3.4Å; C505-C581 WeakPolarHBondContact SG-CB 3.45Å; C505-C581 CovalentContact SG-SG 2.03Å; C505-C581 PolarHBondContact SG-SG 3.45Å; V575-C581 WeakPolarHBondContact O-CA 3.37Å
582	Y	77.7	Confident	72.1	Confident	108 Å²	108	56.4 Å²	56.4	42%	0.424	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	162.7	174.6	63.3	-86.2	0	0	0	110.8	V575	V575-Y582 HydrophobicContact CB-CD1 4.14Å; V575-Y582 HydrophobicContact CB-CD2 4.28Å; V575-Y582 HydrophobicContact CB-CE1 3.77Å; V575-Y582 HydrophobicContact CB-CE2 3.93Å; V575-Y582 HydrophobicContact CB-CG 4.39Å; V575-Y582 HydrophobicContact CG1-CD1 4.44Å; V575-Y582 HydrophobicContact CG1-CE1 3.71Å; V575-Y582 HydrophobicContact CG2-CD2 4.29Å; V575-Y582 HydrophobicContact CG2-CE1 4.35Å; V575-Y582 HydrophobicContact CG2-CE2 3.68Å; V575-Y582 PolarHBondContact N-O 3.18Å; V575-Y582 PolarHBondContact O-N 3.15Å
583	I	73.4	Confident	72.6	Confident	9 Å²	9	57 Å²	57	5%	0.046	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.9	170.4	-61.5	169.8	0	0	0	109	I509 I513 P567 S572 H574 Y585	I509-I583 HydrophobicContact CB-CD1 4.24Å; I509-I583 HydrophobicContact CD1-CG1 4.11Å; I509-I583 HydrophobicContact CG2-CD1 3.43Å; I509-I583 VanDerWaalsContact CG2-CD1 3.43Å; I509-I583 HydrophobicContact CG2-CG1 3.98Å; I513-I583 HydrophobicContact CD1-CD1 4.29Å; P567-I583 HydrophobicContact CB-CD1 4.06Å; P567-I583 HydrophobicContact CG-CD1 4.23Å; S572-I583 VanDerWaalsContact CB-CG2 3.43Å; H574-I583 VanDerWaalsContact CE1-CD1 3.46Å; H574-I583 WeakPolarHBondContact CE1-CD1 3.49Å; I583-Y585 HydrophobicContact CB-CD1 4.3Å; I583-Y585 HydrophobicContact CB-CD2 4.19Å; I583-Y585 HydrophobicContact CB-CE1 3.92Å; I583-Y585 HydrophobicContact CB-CE2 3.81Å; I583-Y585 HydrophobicContact CB-CG 4.45Å; I583-Y585 HydrophobicContact CD1-CE1 4.16Å; I583-Y585 WeakPolarHBondContact CD1-OH 3.48Å; I583-Y585 HydrophobicContact CG2-CD1 3.49Å; I583-Y585 VanDerWaalsContact CG2-CD1 3.49Å; I583-Y585 HydrophobicContact CG2-CD2 4.18Å; I583-Y585 HydrophobicContact CG2-CE1 3.37Å; I583-Y585 HydrophobicContact CG2-CE2 4.09Å; I583-Y585 HydrophobicContact CG2-CG 3.93Å; I583-Y585 WeakPolarHBondContact O-CD2 3.45Å; I583-Y585 PolarHBondContact O-N 2.89Å; I583-Y585 VanDerWaalsContact O-N 3.09Å
584	S	69.4	Low	73.4	Confident	60 Å²	60	49.3 Å²	49.3	42%	0.42	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	95.5	164.1	-178.4	0	0	0	0	108.4	K573	K573-S584 PolarHBondContact N-O 3.01Å; K573-S584 VanDerWaalsContact O-CB 3.29Å; K573-S584 WeakPolarHBondContact O-CB 3.37Å; K573-S584 PolarHBondContact O-N 2.71Å
585	Y	70.1	Confident	73.9	Confident	35 Å²	35	51.4 Å²	51.4	14%	0.137	27%	0.269	C	S	.	.			trans	-84.5	153	173.1	-65.6	-62.7	0	0	0	111.5	Y369 I513 I583 Y589 R590	Y369-Y585 HydrophobicContact CE2-CD2 4.31Å; Y369-Y585 HydrophobicContact CE2-CE2 4.34Å; Y369-Y585 VanDerWaalsContact OH-CD2 3.25Å; Y369-Y585 WeakPolarHBondContact OH-CD2 3.42Å; Y369-Y585 VanDerWaalsContact OH-CE2 3.24Å; Y369-Y585 WeakPolarHBondContact OH-CE2 3.29Å; I513-Y585 WeakPolarHBondContact CD1-OH 3.43Å; I583-Y585 HydrophobicContact CB-CD1 4.3Å; I583-Y585 HydrophobicContact CB-CD2 4.19Å; I583-Y585 HydrophobicContact CB-CE1 3.92Å; I583-Y585 HydrophobicContact CB-CE2 3.81Å; I583-Y585 HydrophobicContact CB-CG 4.45Å; I583-Y585 HydrophobicContact CD1-CE1 4.16Å; I583-Y585 WeakPolarHBondContact CD1-OH 3.48Å; I583-Y585 HydrophobicContact CG2-CD1 3.49Å; I583-Y585 VanDerWaalsContact CG2-CD1 3.49Å; I583-Y585 HydrophobicContact CG2-CD2 4.18Å; I583-Y585 HydrophobicContact CG2-CE1 3.37Å; I583-Y585 HydrophobicContact CG2-CE2 4.09Å; I583-Y585 HydrophobicContact CG2-CG 3.93Å; I583-Y585 WeakPolarHBondContact O-CD2 3.45Å; I583-Y585 PolarHBondContact O-N 2.89Å; I583-Y585 VanDerWaalsContact O-N 3.09Å; Y585-Y589 AromaticContact CD1-CD1 3.14Å; Y585-Y589 HydrophobicContact CD1-CD1 3.14Å; Y585-Y589 AromaticContact CD1-CE1 3.36Å; Y585-Y589 HydrophobicContact CD1-CE1 3.36Å; Y585-Y589 AromaticContact CD1-CG 3.81Å; Y585-Y589 HydrophobicContact CD1-CG 3.81Å; Y585-Y589 HydrophobicContact CD2-CD1 4.47Å; Y585-Y589 AromaticContact CE1-CD1 3.47Å; Y585-Y589 HydrophobicContact CE1-CD1 3.47Å; Y585-Y589 VanDerWaalsContact CE1-CD1 3.47Å; Y585-Y589 AromaticContact CE1-CE1 3.08Å; Y585-Y589 HydrophobicContact CE1-CE1 3.08Å; Y585-Y589 HydrophobicContact CE1-CG 4.34Å; Y585-Y589 AromaticContact CE1-CZ 3.67Å; Y585-Y589 HydrophobicContact CE2-CE1 4.46Å; Y585-Y589 AromaticContact CG-CD1 3.7Å; Y585-Y589 HydrophobicContact CG-CD1 3.7Å; Y585-Y589 HydrophobicContact CG-CE1 4.15Å; Y585-Y589 HydrophobicContact CG-CG 4.48Å; Y585-Y589 AromaticContact CZ-CE1 3.68Å; Y585-R590 HydrophobicContact CD2-CG 4.49Å; Y585-R590 HydrophobicContact CG-CG 4.47Å
586	S	71.6	Confident	74	Confident	58 Å²	58	51.5 Å²	51.5	41%	0.406	27%	0.268	S	S	.	.			trans	-77.3	160.2	165.3	84.8	0	0	0	0	111.2	E588 Y589 R590	S586-E588 WeakPolarHBondContact CB-OE2 3.15Å; S586-E588 PolarHBondContact O-N 3.12Å; S586-E588 PolarHBondContact OG-OE2 3.16Å; S586-Y589 PolarHBondContact O-N 3.32Å; S586-Y589 VanDerWaalsContact O-N 3.14Å; S586-Y589 PolarHBondContact OG-N 3.46Å; S586-R590 PolarHBondContact O-N 3.3Å; S586-R590 VanDerWaalsContact O-N 3.1Å
587	K	76.5	Confident	74	Confident	77 Å²	77	51 Å²	51	34%	0.335	27%	0.267	S	S	.	.	H	α-helix	trans	-56	-40.6	178.1	-175.9	164.5	178	121.6	0	111.5	A373 I374 E376 R590 I591	A373-K587 WeakPolarHBondContact O-CD 3.46Å; A373-K587 WeakPolarHBondContact O-CE 3.19Å; A373-K587 WeakPolarHBondContact O-CG 3.27Å; A373-K587 PolarHBondContact O-NZ 3.34Å; I374-K587 PolarHBondContact O-NZ 3.28Å; E376-K587 IonicContact OE1-NZ 3.96Å; E376-K587 PolarHBondContact OE1-NZ 3.11Å; K587-R590 PolarHBondContact O-N 3.08Å; K587-I591 HydrophobicContact CG-CD1 4.15Å; K587-I591 WeakPolarHBondContact O-CD1 3.24Å; K587-I591 WeakPolarHBondContact O-CG1 3.32Å; K587-I591 PolarHBondContact O-N 3.45Å
588	E	76.2	Confident	74.6	Confident	128 Å²	128	50.4 Å²	50.4	60%	0.598	26%	0.259	S	S	*	.	H	α-helix	trans	-66	-41.6	178.6	-49.3	69.9	-147	0	0	111.5	S586 I591 Y592	S586-E588 WeakPolarHBondContact CB-OE2 3.15Å; S586-E588 PolarHBondContact O-N 3.12Å; S586-E588 PolarHBondContact OG-OE2 3.16Å; E588-I591 PolarHBondContact O-N 2.95Å; E588-Y592 VanDerWaalsContact O-CB 3.24Å; E588-Y592 WeakPolarHBondContact O-CB 3.29Å; E588-Y592 PolarHBondContact O-N 2.86Å
589	Y	73.7	Confident	75.2	Confident	36 Å²	36	50.2 Å²	50.2	14%	0.141	25%	0.253	C	S	.	.	H	α-helix	trans	-65.6	-43.8	177.8	-174.5	-79.9	0	0	0	111.7	S563 P566 Y585 S586 I591 Y592 S593	S563-Y589 PolarHBondContact O-OH 3.17Å; P566-Y589 HydrophobicContact CB-CE2 4.38Å; Y585-Y589 AromaticContact CD1-CD1 3.14Å; Y585-Y589 HydrophobicContact CD1-CD1 3.14Å; Y585-Y589 AromaticContact CD1-CE1 3.36Å; Y585-Y589 HydrophobicContact CD1-CE1 3.36Å; Y585-Y589 AromaticContact CD1-CG 3.81Å; Y585-Y589 HydrophobicContact CD1-CG 3.81Å; Y585-Y589 HydrophobicContact CD2-CD1 4.47Å; Y585-Y589 AromaticContact CE1-CD1 3.47Å; Y585-Y589 HydrophobicContact CE1-CD1 3.47Å; Y585-Y589 VanDerWaalsContact CE1-CD1 3.47Å; Y585-Y589 AromaticContact CE1-CE1 3.08Å; Y585-Y589 HydrophobicContact CE1-CE1 3.08Å; Y585-Y589 HydrophobicContact CE1-CG 4.34Å; Y585-Y589 AromaticContact CE1-CZ 3.67Å; Y585-Y589 HydrophobicContact CE2-CE1 4.46Å; Y585-Y589 AromaticContact CG-CD1 3.7Å; Y585-Y589 HydrophobicContact CG-CD1 3.7Å; Y585-Y589 HydrophobicContact CG-CE1 4.15Å; Y585-Y589 HydrophobicContact CG-CG 4.48Å; Y585-Y589 AromaticContact CZ-CE1 3.68Å; S586-Y589 PolarHBondContact O-N 3.32Å; S586-Y589 VanDerWaalsContact O-N 3.14Å; S586-Y589 PolarHBondContact OG-N 3.46Å; Y589-I591 VanDerWaalsContact C-N 3.33Å; Y589-I591 PolarHBondContact O-N 3.05Å; Y589-Y592 PolarHBondContact O-N 3.05Å; Y589-S593 WeakPolarHBondContact O-CB 3.3Å; Y589-S593 PolarHBondContact O-N 2.92Å; Y589-S593 PolarHBondContact O-OG 2.97Å
590	R	76.4	Confident	75.7	Confident	44 Å²	44	53.2 Å²	53.2	17%	0.166	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-43.9	177.9	-70.3	-178.4	163.5	176.6	-12.1	111.8	Y369 E372 A373 Y585 S586 K587 S593 S594	Y369-R590 HydrophobicContact CE1-CB 4.13Å; Y369-R590 HydrophobicContact CE1-CG 4.28Å; Y369-R590 HydrophobicContact CE2-CG 4.33Å; E372-R590 IonicContact OE1-CZ 3.69Å; E372-R590 IonicContact OE1-NH1 3.74Å; E372-R590 PolarHBondContact OE1-NH1 3.47Å; E372-R590 IonicContact OE1-NH2 3Å; E372-R590 PolarHBondContact OE1-NH2 2.87Å; E372-R590 IonicContact OE2-CZ 3.53Å; E372-R590 IonicContact OE2-NE 2.62Å; E372-R590 IonicContact OE2-NH1 2.72Å; E372-R590 PolarHBondContact OE2-NH1 2.88Å; E372-R590 IonicContact OE2-NH2 3.82Å; E372-R590 PolarHBondContact OE2-NH2 3.11Å; A373-R590 HydrophobicContact CB-CB 3.53Å; A373-R590 HydrophobicContact CB-CG 4.38Å; Y585-R590 HydrophobicContact CD2-CG 4.49Å; Y585-R590 HydrophobicContact CG-CG 4.47Å; S586-R590 PolarHBondContact O-N 3.3Å; S586-R590 VanDerWaalsContact O-N 3.1Å; K587-R590 PolarHBondContact O-N 3.08Å; R590-S593 PolarHBondContact O-OG 3.11Å; R590-S594 WeakPolarHBondContact O-CB 3.41Å; R590-S594 PolarHBondContact O-N 2.95Å; R590-S594 VanDerWaalsContact O-N 3.11Å; R590-S594 PolarHBondContact O-OG 2.04Å
591	I	80.1	Confident	75.9	Confident	65 Å²	65	52.6 Å²	52.6	33%	0.333	26%	0.262	S	S	.	.	H	α-helix	trans	-65.4	-50	176.3	-65.3	165.2	0	0	0	110.6	L370 A373 K587 E588 Y589 S593 S594 V595	L370-I591 HydrophobicContact CD1-CG1 4.25Å; A373-I591 HydrophobicContact CB-CG1 4Å; K587-I591 HydrophobicContact CG-CD1 4.15Å; K587-I591 WeakPolarHBondContact O-CD1 3.24Å; K587-I591 WeakPolarHBondContact O-CG1 3.32Å; K587-I591 PolarHBondContact O-N 3.45Å; E588-I591 PolarHBondContact O-N 2.95Å; Y589-I591 VanDerWaalsContact C-N 3.33Å; Y589-I591 PolarHBondContact O-N 3.05Å; I591-S593 PolarHBondContact O-N 2.97Å; I591-S594 PolarHBondContact O-N 3.28Å; I591-V595 WeakPolarHBondContact O-CG2 3.3Å; I591-V595 PolarHBondContact O-N 3Å
592	Y	76.7	Confident	75.7	Confident	148 Å²	148	54.4 Å²	54.4	58%	0.58	27%	0.27	S	S	*	.	H	α-helix	trans	-59.5	-47.9	-179.3	173.2	-102	0	0	0	112.7	E588 Y589 V595 L596	E588-Y592 VanDerWaalsContact O-CB 3.24Å; E588-Y592 WeakPolarHBondContact O-CB 3.29Å; E588-Y592 PolarHBondContact O-N 2.86Å; Y589-Y592 PolarHBondContact O-N 3.05Å; Y592-V595 PolarHBondContact O-N 3.41Å; Y592-L596 HydrophobicContact CE1-CD2 4.01Å; Y592-L596 VanDerWaalsContact O-CB 3.29Å; Y592-L596 WeakPolarHBondContact O-CB 3.47Å; Y592-L596 PolarHBondContact O-N 3.24Å
593	S	75.5	Confident	75.7	Confident	23 Å²	23	53.7 Å²	53.7	16%	0.161	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-44.5	178.6	52.5	0	0	0	0	111.7	Y589 R590 I591 V595 L596 A597	Y589-S593 WeakPolarHBondContact O-CB 3.3Å; Y589-S593 PolarHBondContact O-N 2.92Å; Y589-S593 PolarHBondContact O-OG 2.97Å; R590-S593 PolarHBondContact O-OG 3.11Å; I591-S593 PolarHBondContact O-N 2.97Å; S593-V595 PolarHBondContact O-N 3.26Å; S593-L596 PolarHBondContact O-N 2.99Å; S593-A597 WeakPolarHBondContact O-CB 3.45Å; S593-A597 PolarHBondContact O-N 2.87Å
594	S	80.5	Confident	75.5	Confident	5 Å²	5	57 Å²	57	4%	0.035	29%	0.29	C	S	.	.	H	α-helix	trans	-57.8	-47.8	175.4	-57.2	0	0	0	0	112.3	Y369 R590 I591 Y598 F599	Y369-S594 WeakPolarHBondContact CD1-OG 3.23Å; R590-S594 WeakPolarHBondContact O-CB 3.41Å; R590-S594 PolarHBondContact O-N 2.95Å; R590-S594 VanDerWaalsContact O-N 3.11Å; R590-S594 PolarHBondContact O-OG 2.04Å; I591-S594 PolarHBondContact O-N 3.28Å; S594-Y598 PolarHBondContact O-N 2.86Å; S594-Y598 VanDerWaalsContact O-N 3.09Å; S594-F599 WeakPolarHBondContact O-CD2 3.47Å
595	V	79.9	Confident	75.5	Confident	74 Å²	74	55.5 Å²	55.5	45%	0.448	28%	0.277	S	S	.	.	I	π-helix	trans	-66.1	-43.3	-179.2	172.4	0	0	0	0	111.5	I591 Y592 S593 F599 L600	I591-V595 WeakPolarHBondContact O-CG2 3.3Å; I591-V595 PolarHBondContact O-N 3Å; Y592-V595 PolarHBondContact O-N 3.41Å; S593-V595 PolarHBondContact O-N 3.26Å; V595-F599 PolarHBondContact O-N 2.99Å; V595-L600 WeakPolarHBondContact O-CB 3.46Å; V595-L600 PolarHBondContact O-N 3.38Å
596	L	73.7	Confident	75.3	Confident	45 Å²	45	55.6 Å²	55.6	24%	0.236	29%	0.288	C	S	.	.	I	π-helix	trans	-71.6	-42	-179	-175.2	67.7	0	0	0	112.7	M517 Y592 S593 L600 P601	M517-L596 HydrophobicContact CE-CD2 3.83Å; M517-L596 HydrophobicContact CE-CG 4.05Å; Y592-L596 HydrophobicContact CE1-CD2 4.01Å; Y592-L596 VanDerWaalsContact O-CB 3.29Å; Y592-L596 WeakPolarHBondContact O-CB 3.47Å; Y592-L596 PolarHBondContact O-N 3.24Å; S593-L596 PolarHBondContact O-N 2.99Å; L596-L600 HydrophobicContact CD1-CD2 3.96Å; L596-P601 VanDerWaalsContact O-CD 3.32Å; L596-P601 WeakPolarHBondContact O-CD 3.23Å
597	A	72.6	Confident	74.9	Confident	28 Å²	28	62.3 Å²	62.3	23%	0.231	31%	0.305	C	S	.	.	I	π-helix	trans	-84	-26.5	-172.8	0	0	0	0	0	113.9	I520 S593	I520-A597 WeakPolarHBondContact CG2-O 3.23Å; S593-A597 WeakPolarHBondContact O-CB 3.45Å; S593-A597 PolarHBondContact O-N 2.87Å
598	Y	77.9	Confident	74.1	Confident	7 Å²	7	61.9 Å²	61.9	3%	0.027	30%	0.301	C	S	.	.	I	π-helix	trans	-122.5	-59	-175.1	-176	-108.7	0	0	0	113	F358 V359 W362 L363 T366 S594 P601 I602	F358-Y598 HydrophobicContact CE1-CD2 4.09Å; F358-Y598 HydrophobicContact CE1-CE2 4.21Å; F358-Y598 AromaticContact CZ-CD2 3.75Å; F358-Y598 HydrophobicContact CZ-CD2 3.75Å; F358-Y598 HydrophobicContact CZ-CE2 4.16Å; V359-Y598 PolarHBondContact O-OH 3.18Å; V359-Y598 VanDerWaalsContact O-OH 3.05Å; W362-Y598 HydrophobicContact CB-CD2 3.87Å; W362-Y598 HydrophobicContact CB-CE2 3.57Å; L363-Y598 WeakPolarHBondContact CA-OH 3.34Å; L363-Y598 WeakPolarHBondContact CB-OH 3.37Å; L363-Y598 HydrophobicContact CD1-CE1 4.11Å; T366-Y598 HydrophobicContact CG2-CD1 3.65Å; T366-Y598 HydrophobicContact CG2-CE1 4.42Å; T366-Y598 HydrophobicContact CG2-CG 3.78Å; S594-Y598 PolarHBondContact O-N 2.86Å; S594-Y598 VanDerWaalsContact O-N 3.09Å; Y598-P601 WeakPolarHBondContact O-CD 3.08Å; Y598-I602 HydrophobicContact CD1-CD1 3.84Å; Y598-I602 HydrophobicContact CD2-CD1 3.98Å; Y598-I602 HydrophobicContact CE1-CD1 3.46Å; Y598-I602 VanDerWaalsContact CE1-CD1 3.46Å; Y598-I602 HydrophobicContact CE2-CD1 3.58Å; Y598-I602 HydrophobicContact CG-CD1 4.09Å; Y598-I602 WeakPolarHBondContact O-CG1 3.48Å; Y598-I602 PolarHBondContact O-N 3.5Å
599	F	79.1	Confident	73.2	Confident	67 Å²	67	59.1 Å²	59.1	29%	0.294	30%	0.296	S	S	.	.	I	π-helix	trans	-70	-39	-171.2	-64.3	-81	0	0	0	113.2	T366 L370 S594 V595 I602 I603	T366-F599 HydrophobicContact CG2-CE2 3.92Å; T366-F599 HydrophobicContact CG2-CZ 4.43Å; L370-F599 HydrophobicContact CD2-CE2 3.89Å; L370-F599 HydrophobicContact CD2-CZ 4.05Å; S594-F599 WeakPolarHBondContact O-CD2 3.47Å; V595-F599 PolarHBondContact O-N 2.99Å; F599-I602 PolarHBondContact O-N 2.03Å; F599-I603 VanDerWaalsContact O-CG1 3.3Å; F599-I603 WeakPolarHBondContact O-CG1 3.25Å; F599-I603 PolarHBondContact O-N 3.38Å
600	L	79.8	Confident	72.1	Confident	73 Å²	73	66.3 Å²	66.3	38%	0.382	33%	0.328	S	S	.	.	H	α-helix	trans	-63.6	-49.1	176.8	178	66.4	0	0	0	112.6	V595 L596 I602 I603 L604	V595-L600 WeakPolarHBondContact O-CB 3.46Å; V595-L600 PolarHBondContact O-N 3.38Å; L596-L600 HydrophobicContact CD1-CD2 3.96Å; L600-I602 VanDerWaalsContact C-N 3.32Å; L600-I602 PolarHBondContact O-N 3.07Å; L600-I603 PolarHBondContact O-N 3.15Å; L600-L604 HydrophobicContact CD1-CD1 4.24Å; L600-L604 HydrophobicContact CD1-CG 4.17Å; L600-L604 HydrophobicContact CG-CD1 4.02Å; L600-L604 HydrophobicContact CG-CG 4.41Å; L600-L604 VanDerWaalsContact O-CG 3.32Å; L600-L604 WeakPolarHBondContact O-CG 3.45Å; L600-L604 PolarHBondContact O-N 3.47Å
601	P	73.2	Confident	70.8	Confident	3 Å²	3	67.8 Å²	67.8	2%	0.019	34%	0.342	C	S	.	.	H	α-helix	trans	-46.4	-50.7	167.2	-35.2	38.5	0	0	0	114	I520 L596 Y598 I603 L604 I605	I520-P601 HydrophobicContact CG2-CB 4.1Å; I520-P601 HydrophobicContact CG2-CG 3.71Å; L596-P601 VanDerWaalsContact O-CD 3.32Å; L596-P601 WeakPolarHBondContact O-CD 3.23Å; Y598-P601 WeakPolarHBondContact O-CD 3.08Å; P601-I603 PolarHBondContact O-N 3.3Å; P601-L604 PolarHBondContact O-N 2.96Å; P601-I605 WeakPolarHBondContact O-CD1 3.27Å; P601-I605 VanDerWaalsContact O-CG1 3.23Å; P601-I605 WeakPolarHBondContact O-CG1 3.46Å; P601-I605 PolarHBondContact O-N 3.2Å
602	I	75.9	Confident	69.3	Low	50 Å²	50	68.7 Å²	68.7	26%	0.256	34%	0.343	S	S	.	.	H	α-helix	trans	-62	-42.2	-179.1	-68.6	169.2	0	0	0	111.4	F358 V359 Y598 F599 L600 I605 G606	F358-I602 HydrophobicContact CE1-CG1 4.48Å; V359-I602 HydrophobicContact CG2-CD1 3.89Å; V359-I602 HydrophobicContact CG2-CG1 3.92Å; Y598-I602 HydrophobicContact CD1-CD1 3.84Å; Y598-I602 HydrophobicContact CD2-CD1 3.98Å; Y598-I602 HydrophobicContact CE1-CD1 3.46Å; Y598-I602 VanDerWaalsContact CE1-CD1 3.46Å; Y598-I602 HydrophobicContact CE2-CD1 3.58Å; Y598-I602 HydrophobicContact CG-CD1 4.09Å; Y598-I602 WeakPolarHBondContact O-CG1 3.48Å; Y598-I602 PolarHBondContact O-N 3.5Å; F599-I602 PolarHBondContact O-N 2.03Å; L600-I602 VanDerWaalsContact C-N 3.32Å; L600-I602 PolarHBondContact O-N 3.07Å; I602-I605 PolarHBondContact O-N 3.4Å; I602-G606 PolarHBondContact O-N 3.31Å
603	I	76.5	Confident	67.9	Low	92 Å²	92	65.8 Å²	65.8	47%	0.472	34%	0.338	S	S	.	.	H	α-helix	trans	-64.8	-42.2	176.3	-67.5	163.6	0	0	0	111.1	F599 L600 P601 I605 R607	F599-I603 VanDerWaalsContact O-CG1 3.3Å; F599-I603 WeakPolarHBondContact O-CG1 3.25Å; F599-I603 PolarHBondContact O-N 3.38Å; L600-I603 PolarHBondContact O-N 3.15Å; P601-I603 PolarHBondContact O-N 3.3Å; I603-I605 VanDerWaalsContact C-N 3.28Å; I603-I605 PolarHBondContact O-N 3.24Å; I603-R607 HydrophobicContact CG2-CG 4.15Å; I603-R607 WeakPolarHBondContact O-CB 3.45Å; I603-R607 VanDerWaalsContact O-CG 3.3Å; I603-R607 WeakPolarHBondContact O-CG 3.19Å; I603-R607 PolarHBondContact O-N 2.68Å
604	L	71.2	Confident	66.5	Low	79 Å²	79	66.2 Å²	66.2	41%	0.414	34%	0.34	S	S	.	.	H	α-helix	trans	-64.8	-30.3	178.9	-71.7	171.6	0	0	0	113.1	L600 P601 R608	L600-L604 HydrophobicContact CD1-CD1 4.24Å; L600-L604 HydrophobicContact CD1-CG 4.17Å; L600-L604 HydrophobicContact CG-CD1 4.02Å; L600-L604 HydrophobicContact CG-CG 4.41Å; L600-L604 VanDerWaalsContact O-CG 3.32Å; L600-L604 WeakPolarHBondContact O-CG 3.45Å; L600-L604 PolarHBondContact O-N 3.47Å; P601-L604 PolarHBondContact O-N 2.96Å; L604-R608 WeakPolarHBondContact O-CD 3.2Å
605	I	68	Low	64.6	Low	29 Å²	29	72.9 Å²	72.9	15%	0.149	37%	0.369	C	S	.	.	H	α-helix	trans	-85	-47.2	176.8	-59	161.2	0	0	0	110.5	V355 P601 I602 I603 R607 R608 S609	V355-I605 HydrophobicContact CG1-CD1 4.31Å; V355-I605 HydrophobicContact CG1-CG2 3.92Å; V355-I605 HydrophobicContact CG2-CD1 4.09Å; V355-I605 HydrophobicContact CG2-CG2 4.16Å; P601-I605 WeakPolarHBondContact O-CD1 3.27Å; P601-I605 VanDerWaalsContact O-CG1 3.23Å; P601-I605 WeakPolarHBondContact O-CG1 3.46Å; P601-I605 PolarHBondContact O-N 3.2Å; I602-I605 PolarHBondContact O-N 3.4Å; I603-I605 VanDerWaalsContact C-N 3.28Å; I603-I605 PolarHBondContact O-N 3.24Å; I605-R607 PolarHBondContact O-N 3.09Å; I605-R608 WeakPolarHBondContact O-CA 3.4Å; I605-R608 WeakPolarHBondContact O-CB 3.26Å; I605-R608 PolarHBondContact O-N 3.37Å; I605-S609 PolarHBondContact O-N 3.3Å; I605-S609 VanDerWaalsContact O-N 3.11Å
606	G	65.4	Low	62.8	Low	36 Å²	36	73 Å²	73	37%	0.371	37%	0.367	S	S	.	.	H	α-helix	trans	-67.2	-32.5	-177.8	0	0	0	0	0	114.6	I602 R608 S609	I602-G606 PolarHBondContact O-N 3.31Å; G606-R608 PolarHBondContact O-N 2.85Å; G606-S609 PolarHBondContact O-N 2.89Å; G606-S609 PolarHBondContact O-OG 3.38Å
607	R	64.9	Low	61.4	Low	199 Å²	199	76.1 Å²	76.1	75%	0.751	38%	0.382	S	S	*	.	H	α-helix	trans	-67.8	-20.9	171.6	-69.3	-175.7	81.7	96.4	-0.2	112.7	I603 I605	I603-R607 HydrophobicContact CG2-CG 4.15Å; I603-R607 WeakPolarHBondContact O-CB 3.45Å; I603-R607 VanDerWaalsContact O-CG 3.3Å; I603-R607 WeakPolarHBondContact O-CG 3.19Å; I603-R607 PolarHBondContact O-N 2.68Å; I605-R607 PolarHBondContact O-N 3.09Å
608	R	59.7	Low	60.1	Low	69 Å²	69	79.5 Å²	79.5	26%	0.26	40%	0.397	S	S	.	.	H	α-helix	trans	-91.1	-25.5	178.7	-74.8	177.3	167.8	139.4	-4.7	113.4	I528 Y531 L604 I605 G606 K610 V611	I528-R608 VanDerWaalsContact CG1-NH1 3.3Å; Y531-R608 HydrophobicContact CD1-CG 4.1Å; Y531-R608 HydrophobicContact CD2-CB 3.48Å; Y531-R608 VanDerWaalsContact CD2-CB 3.48Å; Y531-R608 HydrophobicContact CD2-CG 3.56Å; Y531-R608 HydrophobicContact CE1-CG 4.26Å; Y531-R608 HydrophobicContact CE2-CB 3.86Å; Y531-R608 HydrophobicContact CE2-CG 3.7Å; Y531-R608 HydrophobicContact CG-CB 4.01Å; Y531-R608 VanDerWaalsContact CG-CD 3.44Å; Y531-R608 HydrophobicContact CG-CG 3.75Å; L604-R608 WeakPolarHBondContact O-CD 3.2Å; I605-R608 WeakPolarHBondContact O-CA 3.4Å; I605-R608 WeakPolarHBondContact O-CB 3.26Å; I605-R608 PolarHBondContact O-N 3.37Å; G606-R608 PolarHBondContact O-N 2.85Å; R608-K610 VanDerWaalsContact C-N 3.26Å; R608-K610 PolarHBondContact O-N 3.21Å; R608-V611 PolarHBondContact O-N 2.81Å
609	S	55.9	Low	58.3	Low	69 Å²	69	81.6 Å²	81.6	48%	0.483	41%	0.413	S	S	.	.	H	α-helix	trans	-63.4	-30.7	173.6	68.6	0	0	0	0	112.5	I605 G606 V611 F612	I605-S609 PolarHBondContact O-N 3.3Å; I605-S609 VanDerWaalsContact O-N 3.11Å; G606-S609 PolarHBondContact O-N 2.89Å; G606-S609 PolarHBondContact O-OG 3.38Å; S609-V611 PolarHBondContact O-N 3.45Å; S609-V611 VanDerWaalsContact O-N 3.1Å; S609-F612 VanDerWaalsContact O-CB 3.29Å; S609-F612 WeakPolarHBondContact O-CB 3.42Å; S609-F612 PolarHBondContact O-N 3.46Å
610	K	50.2	Low	56.3	Low	188 Å²	188	84.5 Å²	84.5	82%	0.817	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-14.7	175.4	-70.9	-161.5	173.7	-169.8	0	115	R608 F612	R608-K610 VanDerWaalsContact C-N 3.26Å; R608-K610 PolarHBondContact O-N 3.21Å; K610-F612 VanDerWaalsContact C-N 3.32Å
611	V	49.1	Very low	54.6	Low	75 Å²	75	87.2 Å²	87.2	46%	0.455	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-10.2	173	-176.4	0	0	0	0	111.9	Y531 R608 S609 N613	Y531-V611 HydrophobicContact CE2-CB 3.91Å; Y531-V611 HydrophobicContact CE2-CG1 4.19Å; Y531-V611 HydrophobicContact CE2-CG2 3.83Å; R608-V611 PolarHBondContact O-N 2.81Å; S609-V611 PolarHBondContact O-N 3.45Å; S609-V611 VanDerWaalsContact O-N 3.1Å; V611-N613 PolarHBondContact O-N 3.06Å
612	F	49.6	Very low	53.1	Low	84 Å²	84	92.7 Å²	92.7	37%	0.368	46%	0.459	S	S	.	.			trans	-77.6	37.6	177.8	-76.4	-100.8	0	0	0	114.5	V348 I534 S609 K610 P614	V348-F612 HydrophobicContact CB-CE1 4.27Å; V348-F612 HydrophobicContact CG1-CD1 4.09Å; V348-F612 HydrophobicContact CG1-CE1 3.5Å; V348-F612 HydrophobicContact CG1-CZ 4.22Å; V348-F612 HydrophobicContact CG2-CE1 3.65Å; V348-F612 HydrophobicContact CG2-CZ 4.18Å; I534-F612 HydrophobicContact CD1-CE1 3.71Å; I534-F612 HydrophobicContact CD1-CZ 3.6Å; I534-F612 HydrophobicContact CG2-CE1 4.15Å; I534-F612 HydrophobicContact CG2-CZ 4.39Å; S609-F612 VanDerWaalsContact O-CB 3.29Å; S609-F612 WeakPolarHBondContact O-CB 3.42Å; S609-F612 PolarHBondContact O-N 3.46Å; K610-F612 VanDerWaalsContact C-N 3.32Å; F612-P614 VanDerWaalsContact O-CD 3.23Å; F612-P614 WeakPolarHBondContact O-CD 3.19Å
613	N	46.5	Very low	51.4	Low	86 Å²	86	95.5 Å²	95.5	46%	0.46	47%	0.471	S	S	.	.			trans	-110.1	58.2	160	-162.9	-6.7	0	0	0	112.1	V611 F615 N616	V611-N613 PolarHBondContact O-N 3.06Å; N613-F615 PolarHBondContact O-N 3.12Å; N613-F615 WeakPolarHBondContact OD1-CB 3.35Å; N613-N616 PolarHBondContact O-N 3.16Å; N613-N616 PolarHBondContact OD1-N 2.76Å
614	P	46.7	Very low	49.6	Very low	33 Å²	33	94.3 Å²	94.3	21%	0.214	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.6	172.8	31.3	-36.1	0	0	0	111.7	Y341 F612 N616 I617 D618	Y341-P614 VanDerWaalsContact OH-CG 3.31Å; Y341-P614 WeakPolarHBondContact OH-CG 3.42Å; F612-P614 VanDerWaalsContact O-CD 3.23Å; F612-P614 WeakPolarHBondContact O-CD 3.19Å; P614-N616 VanDerWaalsContact C-N 3.29Å; P614-N616 PolarHBondContact O-N 2.96Å; P614-I617 PolarHBondContact O-N 3.23Å; P614-D618 PolarHBondContact O-N 3.29Å
615	F	41.1	Very low	48.2	Very low	144 Å²	144	98.3 Å²	98.3	63%	0.632	48%	0.481	S	S	*	.	H	α-helix	trans	-52.5	-45.8	173.6	-95	-80.6	0	0	0	111.5	N613 I617 S619	N613-F615 PolarHBondContact O-N 3.12Å; N613-F615 WeakPolarHBondContact OD1-CB 3.35Å; F615-I617 VanDerWaalsContact C-N 3.31Å; F615-I617 PolarHBondContact O-N 3.34Å; F615-S619 WeakPolarHBondContact O-CA 3.23Å; F615-S619 WeakPolarHBondContact O-CB 3.42Å; F615-S619 PolarHBondContact O-N 2.91Å; F615-S619 PolarHBondContact O-OG 3.37Å
616	N	41	Very low	47.2	Very low	77 Å²	77	99.8 Å²	99.8	41%	0.412	49%	0.491	S	S	.	.	H	α-helix	trans	-76.5	-12.6	-175.7	-151.8	-2.7	0	0	0	114.5	N613 P614 K620	N613-N616 PolarHBondContact O-N 3.16Å; N613-N616 PolarHBondContact OD1-N 2.76Å; P614-N616 VanDerWaalsContact C-N 3.29Å; P614-N616 PolarHBondContact O-N 2.96Å; N616-K620 WeakPolarHBondContact O-CG 3.34Å; N616-K620 VanDerWaalsContact OD1-CE 3.23Å; N616-K620 WeakPolarHBondContact OD1-CE 3.42Å
617	I	45.4	Very low	46.4	Very low	110 Å²	110	101.6 Å²	101.6	56%	0.564	49%	0.492	S	S	*	.	H	α-helix	trans	-95.1	-44.8	176.7	-61.7	177.7	0	0	0	110.6	P614 F615 K621	P614-I617 PolarHBondContact O-N 3.23Å; F615-I617 VanDerWaalsContact C-N 3.31Å; F615-I617 PolarHBondContact O-N 3.34Å; I617-K621 WeakPolarHBondContact O-CB 2.99Å; I617-K621 PolarHBondContact O-N 2.66Å; I617-K621 VanDerWaalsContact O-N 3.16Å
618	D	45.1	Very low	45.5	Very low	100 Å²	100	96.9 Å²	96.9	54%	0.535	48%	0.481	S	S	.	.	H	α-helix	trans	-79.1	-28	176.9	-83.6	-20	0	0	0	112.4	P614 Q622	P614-D618 PolarHBondContact O-N 3.29Å; D618-Q622 WeakPolarHBondContact O-CB 3.01Å; D618-Q622 PolarHBondContact O-N 2.99Å
619	S	39.8	Very low	44.8	Very low	51 Å²	51	96.9 Å²	96.9	36%	0.357	49%	0.492	S	S	.	.	H	α-helix	trans	-61.3	-57.4	169.5	68	0	0	0	0	110	F615 K621 Q622 E623	F615-S619 WeakPolarHBondContact O-CA 3.23Å; F615-S619 WeakPolarHBondContact O-CB 3.42Å; F615-S619 PolarHBondContact O-N 2.91Å; F615-S619 PolarHBondContact O-OG 3.37Å; S619-K621 PolarHBondContact O-N 3.3Å; S619-K621 VanDerWaalsContact O-N 3.17Å; S619-Q622 CarbonylContact O-C 3.59Å; S619-Q622 PolarHBondContact O-N 3.32Å; S619-E623 WeakPolarHBondContact O-CB 3.5Å; S619-E623 PolarHBondContact O-N 3.04Å
620	K	37.7	Very low	44.5	Very low	128 Å²	128	102 Å²	102	56%	0.557	50%	0.501	S	S	*	.	H	α-helix	trans	-59.6	-31.3	-179.3	-69.5	-173.6	173.1	-173	0	112.7	N616 S624	N616-K620 WeakPolarHBondContact O-CG 3.34Å; N616-K620 VanDerWaalsContact OD1-CE 3.23Å; N616-K620 WeakPolarHBondContact OD1-CE 3.42Å; K620-S624 VanDerWaalsContact O-CB 3.23Å; K620-S624 WeakPolarHBondContact O-CB 3.35Å; K620-S624 PolarHBondContact O-N 2.8Å; K620-S624 PolarHBondContact O-OG 3.07Å
621	K	43.5	Very low	44.5	Very low	129 Å²	129	97.5 Å²	97.5	56%	0.561	49%	0.485	S	S	*	.	H	α-helix	trans	-77.4	-29.1	171.7	-84.6	-180	174.7	170.2	0	114.9	I617 S619 R625	I617-K621 WeakPolarHBondContact O-CB 2.99Å; I617-K621 PolarHBondContact O-N 2.66Å; I617-K621 VanDerWaalsContact O-N 3.16Å; S619-K621 PolarHBondContact O-N 3.3Å; S619-K621 VanDerWaalsContact O-N 3.17Å; K621-R625 WeakPolarHBondContact O-CB 3.37Å; K621-R625 WeakPolarHBondContact O-CD 3.44Å; K621-R625 VanDerWaalsContact O-CG 3.23Å; K621-R625 WeakPolarHBondContact O-CG 3.41Å; K621-R625 PolarHBondContact O-N 3.21Å
622	Q	42.1	Very low	44.5	Very low	119 Å²	119	98 Å²	98	56%	0.556	48%	0.484	S	S	*	.	H	α-helix	trans	-78.4	-39.8	174.9	-165.6	73	4.8	0	0	110.7	D618 S619 R625 T626	D618-Q622 WeakPolarHBondContact O-CB 3.01Å; D618-Q622 PolarHBondContact O-N 2.99Å; S619-Q622 CarbonylContact O-C 3.59Å; S619-Q622 PolarHBondContact O-N 3.32Å; Q622-R625 CarbonylContact O-C 3.58Å; Q622-R625 WeakPolarHBondContact O-CB 3.26Å; Q622-R625 PolarHBondContact O-N 2.76Å; Q622-T626 PolarHBondContact O-N 3.12Å; Q622-T626 PolarHBondContact O-OG1 3.47Å
623	E	39.2	Very low	44.3	Very low	108 Å²	108	97.5 Å²	97.5	51%	0.505	49%	0.489	S	S	.	.	H	α-helix	trans	-70.2	-48.8	-179.8	-178.7	170.8	-145.4	0	0	112.5	S619 R625 T626 N627	S619-E623 WeakPolarHBondContact O-CB 3.5Å; S619-E623 PolarHBondContact O-N 3.04Å; E623-R625 PolarHBondContact O-N 3.36Å; E623-T626 VanDerWaalsContact CA-OG1 3.32Å; E623-T626 WeakPolarHBondContact CA-OG1 3.47Å; E623-T626 PolarHBondContact O-N 3Å; E623-T626 VanDerWaalsContact O-N 3.14Å; E623-T626 PolarHBondContact O-OG1 3.29Å; E623-N627 WeakPolarHBondContact O-CB 3.46Å; E623-N627 VanDerWaalsContact O-CG 3.29Å; E623-N627 PolarHBondContact O-N 2.81Å
624	S	39.5	Very low	44.6	Very low	67 Å²	67	99 Å²	99	47%	0.469	50%	0.497	S	S	.	.	H	α-helix	trans	-60.2	-31.8	170.6	55.3	0	0	0	0	112	K620 L628	K620-S624 VanDerWaalsContact O-CB 3.23Å; K620-S624 WeakPolarHBondContact O-CB 3.35Å; K620-S624 PolarHBondContact O-N 2.8Å; K620-S624 PolarHBondContact O-OG 3.07Å; S624-L628 WeakPolarHBondContact O-CB 3.46Å; S624-L628 PolarHBondContact O-N 3Å
625	R	42	Very low	44.6	Very low	164 Å²	164	101.1 Å²	101.1	62%	0.619	51%	0.506	S	S	*	.	H	α-helix	trans	-70.2	-43.2	171.5	-83.8	177.2	168.3	172	-2.4	113.1	K621 Q622 E623 S629	K621-R625 WeakPolarHBondContact O-CB 3.37Å; K621-R625 WeakPolarHBondContact O-CD 3.44Å; K621-R625 VanDerWaalsContact O-CG 3.23Å; K621-R625 WeakPolarHBondContact O-CG 3.41Å; K621-R625 PolarHBondContact O-N 3.21Å; Q622-R625 CarbonylContact O-C 3.58Å; Q622-R625 WeakPolarHBondContact O-CB 3.26Å; Q622-R625 PolarHBondContact O-N 2.76Å; E623-R625 PolarHBondContact O-N 3.36Å; R625-S629 VanDerWaalsContact O-CB 3.31Å; R625-S629 WeakPolarHBondContact O-CB 3.33Å; R625-S629 PolarHBondContact O-N 3.4Å; R625-S629 PolarHBondContact O-OG 3.31Å
626	T	47.3	Very low	44.8	Very low	59 Å²	59	98.4 Å²	98.4	36%	0.362	50%	0.501	S	S	.	.	H	α-helix	trans	-65.7	-40.9	176.3	43.7	0	0	0	0	111.4	Q622 E623 S629 R630	Q622-T626 PolarHBondContact O-N 3.12Å; Q622-T626 PolarHBondContact O-OG1 3.47Å; E623-T626 VanDerWaalsContact CA-OG1 3.32Å; E623-T626 WeakPolarHBondContact CA-OG1 3.47Å; E623-T626 PolarHBondContact O-N 3Å; E623-T626 VanDerWaalsContact O-N 3.14Å; E623-T626 PolarHBondContact O-OG1 3.29Å; T626-S629 WeakPolarHBondContact CA-OG 3.39Å; T626-S629 PolarHBondContact O-N 3.12Å; T626-S629 PolarHBondContact O-OG 2.85Å; T626-R630 WeakPolarHBondContact O-CB 3.07Å; T626-R630 VanDerWaalsContact O-CG 3.32Å; T626-R630 WeakPolarHBondContact O-CG 3.29Å; T626-R630 PolarHBondContact O-N 2.86Å
627	N	47.3	Very low	45.5	Very low	75 Å²	75	98 Å²	98	40%	0.401	50%	0.499	S	S	.	.	H	α-helix	trans	-68.2	-43.3	178.3	-67.1	-8.5	0	0	0	110.9	E623 S629 R630 L631	E623-N627 WeakPolarHBondContact O-CB 3.46Å; E623-N627 VanDerWaalsContact O-CG 3.29Å; E623-N627 PolarHBondContact O-N 2.81Å; N627-S629 PolarHBondContact O-N 3.44Å; N627-R630 PolarHBondContact O-N 3.34Å; N627-L631 PolarHBondContact O-N 3.22Å
628	L	47.2	Very low	46	Very low	100 Å²	100	97.8 Å²	97.8	52%	0.524	50%	0.496	S	S	.	.	H	α-helix	trans	-63.6	-39.2	172.3	-173.7	63.1	0	0	0	112.2	S624 R630 L631 I632	S624-L628 WeakPolarHBondContact O-CB 3.46Å; S624-L628 PolarHBondContact O-N 3Å; L628-R630 VanDerWaalsContact C-N 3.26Å; L628-R630 PolarHBondContact O-N 3.41Å; L628-L631 PolarHBondContact O-N 3.47Å; L628-I632 HydrophobicContact CD1-CD1 4.37Å; L628-I632 HydrophobicContact CD1-CG1 4.29Å; L628-I632 HydrophobicContact CG-CD1 3.92Å; L628-I632 HydrophobicContact CG-CG1 4.32Å; L628-I632 WeakPolarHBondContact O-CB 3.35Å; L628-I632 VanDerWaalsContact O-CG1 3.26Å; L628-I632 WeakPolarHBondContact O-CG1 3.49Å; L628-I632 PolarHBondContact O-N 3.04Å
629	S	45.3	Very low	46	Very low	69 Å²	69	99.1 Å²	99.1	48%	0.483	50%	0.497	S	S	.	.	H	α-helix	trans	-70.2	-19.9	175.6	68.4	0	0	0	0	114.2	R625 T626 N627 P633	R625-S629 VanDerWaalsContact O-CB 3.31Å; R625-S629 WeakPolarHBondContact O-CB 3.33Å; R625-S629 PolarHBondContact O-N 3.4Å; R625-S629 PolarHBondContact O-OG 3.31Å; T626-S629 WeakPolarHBondContact CA-OG 3.39Å; T626-S629 PolarHBondContact O-N 3.12Å; T626-S629 PolarHBondContact O-OG 2.85Å; N627-S629 PolarHBondContact O-N 3.44Å; S629-P633 WeakPolarHBondContact O-CD 3.33Å
630	R	49.8	Very low	46.2	Very low	176 Å²	176	99.4 Å²	99.4	66%	0.664	50%	0.498	S	S	*	.	H	α-helix	trans	-83.6	-37.2	170.1	-74.5	169.1	173.6	178.5	-4.6	111.4	T626 N627 L628	T626-R630 WeakPolarHBondContact O-CB 3.07Å; T626-R630 VanDerWaalsContact O-CG 3.32Å; T626-R630 WeakPolarHBondContact O-CG 3.29Å; T626-R630 PolarHBondContact O-N 2.86Å; N627-R630 PolarHBondContact O-N 3.34Å; L628-R630 VanDerWaalsContact C-N 3.26Å; L628-R630 PolarHBondContact O-N 3.41Å
631	L	48.8	Very low	47	Very low	93 Å²	93	99 Å²	99	49%	0.487	50%	0.497	S	S	.	.	H	α-helix	trans	-70.6	-37.8	175.8	-105.9	71.3	0	0	0	113	N627 L628 L634 L635	N627-L631 PolarHBondContact O-N 3.22Å; L628-L631 PolarHBondContact O-N 3.47Å; L631-L634 PolarHBondContact O-N 2.98Å; L631-L634 VanDerWaalsContact O-N 3.17Å; L631-L635 HydrophobicContact CB-CD1 4.22Å; L631-L635 HydrophobicContact CD2-CD1 4.43Å; L631-L635 WeakPolarHBondContact O-CB 3.02Å; L631-L635 WeakPolarHBondContact O-CG 3.4Å; L631-L635 PolarHBondContact O-N 2.98Å
632	I	49.2	Very low	47.4	Very low	87 Å²	87	99.2 Å²	99.2	45%	0.446	49%	0.494	S	S	.	.	H	α-helix	trans	-54.8	-52.7	-176.8	-78	163.6	0	0	0	111.8	L628 L634 L635 T636	L628-I632 HydrophobicContact CD1-CD1 4.37Å; L628-I632 HydrophobicContact CD1-CG1 4.29Å; L628-I632 HydrophobicContact CG-CD1 3.92Å; L628-I632 HydrophobicContact CG-CG1 4.32Å; L628-I632 WeakPolarHBondContact O-CB 3.35Å; L628-I632 VanDerWaalsContact O-CG1 3.26Å; L628-I632 WeakPolarHBondContact O-CG1 3.49Å; L628-I632 PolarHBondContact O-N 3.04Å; I632-L634 VanDerWaalsContact C-N 3.35Å; I632-L634 PolarHBondContact O-N 3.33Å; I632-L635 PolarHBondContact O-N 2.05Å; I632-T636 PolarHBondContact O-N 3.49Å; I632-T636 PolarHBondContact O-OG1 3.02Å
633	P	46.6	Very low	47.5	Very low	73 Å²	73	98.9 Å²	98.9	47%	0.474	49%	0.491	S	S	.	.	H	α-helix	trans	-57.9	-42.1	176.1	-27.1	35.7	0	0	0	113.9	S629 T636 D637	S629-P633 WeakPolarHBondContact O-CD 3.33Å; P633-T636 WeakPolarHBondContact CA-OG1 3.12Å; P633-T636 PolarHBondContact O-N 3.41Å; P633-T636 PolarHBondContact O-OG1 2.89Å; P633-T636 VanDerWaalsContact O-OG1 3.05Å; P633-D637 VanDerWaalsContact O-CB 3.28Å; P633-D637 WeakPolarHBondContact O-CB 3.46Å; P633-D637 PolarHBondContact O-N 3.22Å
634	L	52.5	Low	47.9	Very low	118 Å²	118	97.9 Å²	97.9	62%	0.618	49%	0.488	S	S	*	.	H	α-helix	trans	-67.2	-39.5	179.5	-68.2	170	0	0	0	112.1	L631 I632 H638	L631-L634 PolarHBondContact O-N 2.98Å; L631-L634 VanDerWaalsContact O-N 3.17Å; I632-L634 VanDerWaalsContact C-N 3.35Å; I632-L634 PolarHBondContact O-N 3.33Å; L634-H638 VanDerWaalsContact O-CB 3.25Å; L634-H638 WeakPolarHBondContact O-CB 3.39Å; L634-H638 PolarHBondContact O-N 3.19Å
635	L	45.7	Very low	48.8	Very low	77 Å²	77	101.6 Å²	101.6	40%	0.403	50%	0.498	S	S	.	.	H	α-helix	trans	-69.5	-44.5	174.7	-71.1	170	0	0	0	111	L631 I632 D637 H638 F639	L631-L635 HydrophobicContact CB-CD1 4.22Å; L631-L635 HydrophobicContact CD2-CD1 4.43Å; L631-L635 WeakPolarHBondContact O-CB 3.02Å; L631-L635 WeakPolarHBondContact O-CG 3.4Å; L631-L635 PolarHBondContact O-N 2.98Å; I632-L635 PolarHBondContact O-N 2.05Å; L635-D637 VanDerWaalsContact C-N 3.33Å; L635-D637 PolarHBondContact O-N 2.74Å; L635-H638 PolarHBondContact O-N 3.26Å; L635-F639 HydrophobicContact CB-CD2 4.33Å; L635-F639 HydrophobicContact CB-CE2 4.45Å; L635-F639 HydrophobicContact CD2-CE2 4.22Å; L635-F639 WeakPolarHBondContact O-CB 3.31Å; L635-F639 WeakPolarHBondContact O-CD2 3.47Å; L635-F639 PolarHBondContact O-N 2.88Å
636	T	46.5	Very low	48.9	Very low	86 Å²	86	103.2 Å²	103.2	53%	0.528	50%	0.504	S	S	.	.	H	α-helix	trans	-65.7	-35.2	176.4	49.1	0	0	0	0	112.5	I632 P633 S640	I632-T636 PolarHBondContact O-N 3.49Å; I632-T636 PolarHBondContact O-OG1 3.02Å; P633-T636 WeakPolarHBondContact CA-OG1 3.12Å; P633-T636 PolarHBondContact O-N 3.41Å; P633-T636 PolarHBondContact O-OG1 2.89Å; P633-T636 VanDerWaalsContact O-OG1 3.05Å; T636-S640 WeakPolarHBondContact O-CA 3.37Å; T636-S640 WeakPolarHBondContact O-CB 3.48Å; T636-S640 PolarHBondContact O-N 3.23Å
637	D	54.2	Low	48.6	Very low	70 Å²	70	103.2 Å²	103.2	37%	0.374	50%	0.502	S	S	.	.	H	α-helix	trans	-67.7	-45.4	173.3	177.3	62.6	0	0	0	111.7	P633 L635 S640 K641	P633-D637 VanDerWaalsContact O-CB 3.28Å; P633-D637 WeakPolarHBondContact O-CB 3.46Å; P633-D637 PolarHBondContact O-N 3.22Å; L635-D637 VanDerWaalsContact C-N 3.33Å; L635-D637 PolarHBondContact O-N 2.74Å; D637-S640 PolarHBondContact O-N 3Å; D637-K641 VanDerWaalsContact O-CB 3.32Å; D637-K641 WeakPolarHBondContact O-CB 3.19Å; D637-K641 VanDerWaalsContact O-CG 3.32Å; D637-K641 WeakPolarHBondContact O-CG 3.43Å; D637-K641 PolarHBondContact O-N 3.44Å; D637-K641 WeakPolarHBondContact OD1-CE 3.43Å; D637-K641 IonicContact OD1-NZ 3.75Å; D637-K641 PolarHBondContact OD1-NZ 3.26Å; D637-K641 IonicContact OD2-NZ 3.95Å; D637-K641 PolarHBondContact OD2-NZ 3.25Å
638	H	57.2	Low	48.6	Very low	105 Å²	105	105.8 Å²	105.8	49%	0.486	51%	0.51	S	S	.	.	H	α-helix	trans	-64	-45.1	177	178.7	-99.6	0	0	0	112.9	L634 L635 R642	L634-H638 VanDerWaalsContact O-CB 3.25Å; L634-H638 WeakPolarHBondContact O-CB 3.39Å; L634-H638 PolarHBondContact O-N 3.19Å; L635-H638 PolarHBondContact O-N 3.26Å; H638-R642 PolarHBondContact CE1-NE 3.45Å; H638-R642 PolarHBondContact CE1-NH1 3.2Å; H638-R642 PolarHBondContact CE1-NH2 3.2Å; H638-R642 PolarHBondContact NE2-NE 3.22Å; H638-R642 PolarHBondContact NE2-NH2 2.95Å; H638-R642 WeakPolarHBondContact O-CB 3.47Å; H638-R642 WeakPolarHBondContact O-CG 3.17Å; H638-R642 PolarHBondContact O-N 3.06Å
639	F	43.9	Very low	48.6	Very low	128 Å²	128	107.2 Å²	107.2	56%	0.561	51%	0.512	S	S	*	.	H	α-helix	trans	-68.8	-39.6	175.2	-76.9	-62.1	0	0	0	111.9	L635 R642 F643	L635-F639 HydrophobicContact CB-CD2 4.33Å; L635-F639 HydrophobicContact CB-CE2 4.45Å; L635-F639 HydrophobicContact CD2-CE2 4.22Å; L635-F639 WeakPolarHBondContact O-CB 3.31Å; L635-F639 WeakPolarHBondContact O-CD2 3.47Å; L635-F639 PolarHBondContact O-N 2.88Å; F639-R642 PolarHBondContact O-N 2.91Å; F639-F643 WeakPolarHBondContact O-CB 3.25Å; F639-F643 PolarHBondContact O-N 3.01Å
640	S	45	Very low	48.4	Very low	56 Å²	56	108.5 Å²	108.5	39%	0.392	51%	0.512	S	S	.	.	H	α-helix	trans	-60.1	-49	173.5	178.5	0	0	0	0	111.2	T636 D637 R642 F643 I644	T636-S640 WeakPolarHBondContact O-CA 3.37Å; T636-S640 WeakPolarHBondContact O-CB 3.48Å; T636-S640 PolarHBondContact O-N 3.23Å; D637-S640 PolarHBondContact O-N 3Å; S640-R642 PolarHBondContact O-N 3.49Å; S640-F643 PolarHBondContact O-N 3.25Å; S640-F643 VanDerWaalsContact O-N 3.17Å; S640-I644 WeakPolarHBondContact O-CB 3.46Å; S640-I644 VanDerWaalsContact O-CG1 3.28Å; S640-I644 WeakPolarHBondContact O-CG1 3.46Å; S640-I644 PolarHBondContact O-N 2.68Å
641	K	53.7	Low	48.1	Very low	120 Å²	120	105.7 Å²	105.7	52%	0.522	51%	0.507	S	S	.	.	H	α-helix	trans	-60.6	-44	176.3	-76.1	167.2	176	160.3	0	112.1	D637 Q645	D637-K641 VanDerWaalsContact O-CB 3.32Å; D637-K641 WeakPolarHBondContact O-CB 3.19Å; D637-K641 VanDerWaalsContact O-CG 3.32Å; D637-K641 WeakPolarHBondContact O-CG 3.43Å; D637-K641 PolarHBondContact O-N 3.44Å; D637-K641 WeakPolarHBondContact OD1-CE 3.43Å; D637-K641 IonicContact OD1-NZ 3.75Å; D637-K641 PolarHBondContact OD1-NZ 3.26Å; D637-K641 IonicContact OD2-NZ 3.95Å; D637-K641 PolarHBondContact OD2-NZ 3.25Å; K641-Q645 WeakPolarHBondContact O-CB 3.33Å; K641-Q645 PolarHBondContact O-N 2.92Å
642	R	52.3	Low	48	Very low	134 Å²	134	106.2 Å²	106.2	51%	0.506	51%	0.51	S	S	.	.	H	α-helix	trans	-66.1	-34.5	174.5	-78.2	-172.8	171.2	-166.4	0.4	113.2	H638 F639 S640 R646	H638-R642 PolarHBondContact CE1-NE 3.45Å; H638-R642 PolarHBondContact CE1-NH1 3.2Å; H638-R642 PolarHBondContact CE1-NH2 3.2Å; H638-R642 PolarHBondContact NE2-NE 3.22Å; H638-R642 PolarHBondContact NE2-NH2 2.95Å; H638-R642 WeakPolarHBondContact O-CB 3.47Å; H638-R642 WeakPolarHBondContact O-CG 3.17Å; H638-R642 PolarHBondContact O-N 3.06Å; F639-R642 PolarHBondContact O-N 2.91Å; S640-R642 PolarHBondContact O-N 3.49Å; R642-R646 WeakPolarHBondContact O-CB 3.48Å; R642-R646 WeakPolarHBondContact O-CG 3.5Å; R642-R646 PolarHBondContact O-N 3.48Å
643	F	43.8	Very low	47.8	Very low	112 Å²	112	105.3 Å²	105.3	49%	0.491	51%	0.506	S	S	.	.	H	α-helix	trans	-72	-47.4	177.3	-172.6	-107.1	0	0	0	110.9	F639 S640 Q645 R646 N647	F639-F643 WeakPolarHBondContact O-CB 3.25Å; F639-F643 PolarHBondContact O-N 3.01Å; S640-F643 PolarHBondContact O-N 3.25Å; S640-F643 VanDerWaalsContact O-N 3.17Å; F643-Q645 VanDerWaalsContact C-N 3.3Å; F643-Q645 PolarHBondContact O-N 3.18Å; F643-R646 PolarHBondContact O-N 3.09Å; F643-N647 WeakPolarHBondContact CE1-ND2 3.4Å; F643-N647 WeakPolarHBondContact CZ-ND2 3.21Å; F643-N647 WeakPolarHBondContact O-CB 3.49Å; F643-N647 PolarHBondContact O-N 2.91Å; F643-N647 PolarHBondContact O-OD1 2.84Å
644	I	49.3	Very low	47.4	Very low	87 Å²	87	105.6 Å²	105.6	45%	0.446	50%	0.503	S	S	.	.	H	α-helix	trans	-59.6	-40.4	172.7	-66.8	165	0	0	0	110.9	S640 N647 K648	S640-I644 WeakPolarHBondContact O-CB 3.46Å; S640-I644 VanDerWaalsContact O-CG1 3.28Å; S640-I644 WeakPolarHBondContact O-CG1 3.46Å; S640-I644 PolarHBondContact O-N 2.68Å; I644-N647 PolarHBondContact O-N 3.48Å; I644-K648 HydrophobicContact CG2-CD 4.43Å; I644-K648 WeakPolarHBondContact O-CB 3.41Å; I644-K648 WeakPolarHBondContact O-CG 3.34Å; I644-K648 PolarHBondContact O-N 3.16Å
645	Q	57.2	Low	46.8	Very low	144 Å²	144	103.4 Å²	103.4	67%	0.673	50%	0.498	S	S	*	.	H	α-helix	trans	-70.7	-35.1	177.9	-168.2	173.5	16.7	0	0	112.6	K641 F643 K649	K641-Q645 WeakPolarHBondContact O-CB 3.33Å; K641-Q645 PolarHBondContact O-N 2.92Å; F643-Q645 VanDerWaalsContact C-N 3.3Å; F643-Q645 PolarHBondContact O-N 3.18Å; Q645-K649 PolarHBondContact O-N 3.37Å; Q645-K649 VanDerWaalsContact O-N 3.17Å
646	R	44.8	Very low	46.5	Very low	198 Å²	198	106.1 Å²	106.1	75%	0.747	51%	0.512	S	S	*	.	H	α-helix	trans	-69.2	-43.5	170.9	-83	-178	168.6	-179.3	-5.1	112	R642 F643 K649 L650	R642-R646 WeakPolarHBondContact O-CB 3.48Å; R642-R646 WeakPolarHBondContact O-CG 3.5Å; R642-R646 PolarHBondContact O-N 3.48Å; F643-R646 PolarHBondContact O-N 3.09Å; R646-K649 WeakPolarHBondContact O-CB 3.41Å; R646-K649 PolarHBondContact O-N 3.46Å; R646-L650 WeakPolarHBondContact O-CB 3.5Å; R646-L650 PolarHBondContact O-N 3.1Å
647	N	41.4	Very low	45.9	Very low	59 Å²	59	108 Å²	108	32%	0.316	52%	0.518	S	S	.	.	H	α-helix	trans	-68.8	-39.5	179.8	-71.9	16.6	0	0	0	111.3	F643 I644 K649 L650 E651	F643-N647 WeakPolarHBondContact CE1-ND2 3.4Å; F643-N647 WeakPolarHBondContact CZ-ND2 3.21Å; F643-N647 WeakPolarHBondContact O-CB 3.49Å; F643-N647 PolarHBondContact O-N 2.91Å; F643-N647 PolarHBondContact O-OD1 2.84Å; I644-N647 PolarHBondContact O-N 3.48Å; N647-K649 VanDerWaalsContact C-N 3.3Å; N647-K649 PolarHBondContact O-N 3.48Å; N647-L650 CarbonylContact O-C 3.58Å; N647-L650 WeakPolarHBondContact O-CA 3.5Å; N647-L650 PolarHBondContact O-N 2.86Å; N647-L650 VanDerWaalsContact O-N 3.1Å; N647-E651 WeakPolarHBondContact O-CB 3.45Å; N647-E651 WeakPolarHBondContact O-CG 3.43Å; N647-E651 PolarHBondContact O-N 3.44Å
648	K	46.5	Very low	45	Very low	129 Å²	129	110.8 Å²	110.8	56%	0.561	53%	0.529	S	S	*	.	H	α-helix	trans	-64.2	-33.2	171.1	-78.1	-168.4	171.5	-164.2	0	113.2	I644 N652	I644-K648 HydrophobicContact CG2-CD 4.43Å; I644-K648 WeakPolarHBondContact O-CB 3.41Å; I644-K648 WeakPolarHBondContact O-CG 3.34Å; I644-K648 PolarHBondContact O-N 3.16Å; K648-N652 VanDerWaalsContact O-CG 3.24Å; K648-N652 PolarHBondContact O-N 3.02Å; K648-N652 VanDerWaalsContact O-N 3.14Å; K648-N652 PolarHBondContact O-ND2 3.46Å
649	K	47.9	Very low	43.9	Very low	131 Å²	131	114.4 Å²	114.4	57%	0.57	54%	0.543	S	S	*	.	H	α-helix	trans	-66.3	-46	170	-161.6	-162.5	170.8	-161.5	0	110.3	Q645 R646 N647 E651 N652 D653	Q645-K649 PolarHBondContact O-N 3.37Å; Q645-K649 VanDerWaalsContact O-N 3.17Å; R646-K649 WeakPolarHBondContact O-CB 3.41Å; R646-K649 PolarHBondContact O-N 3.46Å; N647-K649 VanDerWaalsContact C-N 3.3Å; N647-K649 PolarHBondContact O-N 3.48Å; K649-E651 PolarHBondContact O-N 3.08Å; K649-N652 PolarHBondContact O-N 3.44Å; K649-D653 VanDerWaalsContact CE-OD2 3.25Å; K649-D653 WeakPolarHBondContact CE-OD2 3.16Å; K649-D653 WeakPolarHBondContact O-CB 3.4Å; K649-D653 IonicContact NZ-OD2 3.67Å; K649-D653 PolarHBondContact O-N 3.45Å
650	L	40.9	Very low	43.5	Very low	95 Å²	95	114.8 Å²	114.8	50%	0.497	55%	0.551	S	S	.	*	H	α-helix	trans	-64.8	-36.7	179.2	-163.6	70.8	0	0	0	112.4	R646 N647 D653 I654	R646-L650 WeakPolarHBondContact O-CB 3.5Å; R646-L650 PolarHBondContact O-N 3.1Å; N647-L650 CarbonylContact O-C 3.58Å; N647-L650 WeakPolarHBondContact O-CA 3.5Å; N647-L650 PolarHBondContact O-N 2.86Å; N647-L650 VanDerWaalsContact O-N 3.1Å; L650-D653 PolarHBondContact O-N 3.19Å; L650-I654 HydrophobicContact CD2-CD1 4.25Å; L650-I654 HydrophobicContact CG-CD1 3.78Å; L650-I654 HydrophobicContact CG-CG1 4.31Å; L650-I654 WeakPolarHBondContact O-CB 3.37Å; L650-I654 WeakPolarHBondContact O-CG1 3.36Å; L650-I654 PolarHBondContact O-N 3.01Å; L650-I654 HydrophobicContact CD1-CD1 4.4Å
651	E	43.8	Very low	42.9	Very low	117 Å²	117	118.8 Å²	118.8	55%	0.547	57%	0.568	S	S	.	*	H	α-helix	trans	-63.1	-42.2	172.1	-76.8	175.4	126.4	0	0	111	N647 K649 S655	N647-E651 WeakPolarHBondContact O-CB 3.45Å; N647-E651 WeakPolarHBondContact O-CG 3.43Å; N647-E651 PolarHBondContact O-N 3.44Å; K649-E651 PolarHBondContact O-N 3.08Å; E651-S655 WeakPolarHBondContact O-CB 3.37Å; E651-S655 PolarHBondContact O-N 3.29Å; E651-S655 PolarHBondContact O-OG 3.15Å
652	N	46.4	Very low	41.6	Very low	104 Å²	104	119.8 Å²	119.8	56%	0.556	58%	0.578	S	S	*	*	H	α-helix	trans	-67.6	-46.3	174.8	-71	-13.5	0	0	0	111.7	K648 K649 I654 S655 L656	K648-N652 VanDerWaalsContact O-CG 3.24Å; K648-N652 PolarHBondContact O-N 3.02Å; K648-N652 VanDerWaalsContact O-N 3.14Å; K648-N652 PolarHBondContact O-ND2 3.46Å; K649-N652 PolarHBondContact O-N 3.44Å; N652-I654 PolarHBondContact O-N 3.48Å; N652-S655 PolarHBondContact O-N 3.46Å; N652-L656 WeakPolarHBondContact O-CD1 3.43Å; N652-L656 PolarHBondContact O-N 3.04Å
653	D	43.9	Very low	40.6	Very low	69 Å²	69	121.4 Å²	121.4	37%	0.369	59%	0.591	S	S	.	*	H	α-helix	trans	-63.8	-40.2	179.3	-65.7	-18.7	0	0	0	110.5	K649 L650 L657	K649-D653 VanDerWaalsContact CE-OD2 3.25Å; K649-D653 WeakPolarHBondContact CE-OD2 3.16Å; K649-D653 WeakPolarHBondContact O-CB 3.4Å; K649-D653 IonicContact NZ-OD2 3.67Å; K649-D653 PolarHBondContact O-N 3.45Å; L650-D653 PolarHBondContact O-N 3.19Å; D653-L657 WeakPolarHBondContact O-CG 3.31Å; D653-L657 PolarHBondContact O-N 3.47Å
654	I	39.8	Very low	40	Very low	78 Å²	78	122.1 Å²	122.1	40%	0.4	60%	0.6	S	S	.	*	H	α-helix	trans	-70.5	-38.5	173.5	-71.3	173.5	0	0	0	111.3	L650 N652 L656 L657 H658	L650-I654 HydrophobicContact CD2-CD1 4.25Å; L650-I654 HydrophobicContact CG-CD1 3.78Å; L650-I654 HydrophobicContact CG-CG1 4.31Å; L650-I654 WeakPolarHBondContact O-CB 3.37Å; L650-I654 WeakPolarHBondContact O-CG1 3.36Å; L650-I654 PolarHBondContact O-N 3.01Å; L650-I654 HydrophobicContact CD1-CD1 4.4Å; N652-I654 PolarHBondContact O-N 3.48Å; I654-L656 VanDerWaalsContact C-N 3.28Å; I654-L656 PolarHBondContact O-N 3Å; I654-L657 CarbonylContact O-C 3.56Å; I654-L657 WeakPolarHBondContact O-CA 3.36Å; I654-L657 PolarHBondContact O-N 2.83Å; I654-H658 PolarHBondContact O-N 3.4Å; I654-H658 WeakPolarHBondContact O-CB 3.24Å
655	S	38.2	Very low	39.2	Very low	72 Å²	72	125 Å²	125	50%	0.503	62%	0.616	S	S	.	*	H	α-helix	trans	-65	-31.9	177.1	-63.5	0	0	0	0	112.4	E651 N652	E651-S655 WeakPolarHBondContact O-CB 3.37Å; E651-S655 PolarHBondContact O-N 3.29Å; E651-S655 PolarHBondContact O-OG 3.15Å; N652-S655 PolarHBondContact O-N 3.46Å
656	L	40	Very low	37.9	Very low	134 Å²	134	126 Å²	126	70%	0.702	63%	0.626	S	S	*	*	H	α-helix	trans	-68.8	-31.8	169.1	-98.2	86.6	0	0	0	112.9	N652 I654	N652-L656 WeakPolarHBondContact O-CD1 3.43Å; N652-L656 PolarHBondContact O-N 3.04Å; I654-L656 VanDerWaalsContact C-N 3.28Å; I654-L656 PolarHBondContact O-N 3Å
657	L	34.8	Very low	37.3	Very low	127 Å²	127	123.8 Å²	123.8	67%	0.665	63%	0.627	S	S	*	*	H	α-helix	trans	-81.9	-36.5	-179.8	-72.7	165.6	0	0	0	112.9	D653 I654 F659 N660	D653-L657 WeakPolarHBondContact O-CG 3.31Å; D653-L657 PolarHBondContact O-N 3.47Å; I654-L657 CarbonylContact O-C 3.56Å; I654-L657 WeakPolarHBondContact O-CA 3.36Å; I654-L657 PolarHBondContact O-N 2.83Å; L657-F659 VanDerWaalsContact C-N 3.26Å; L657-F659 PolarHBondContact O-N 3.15Å; L657-N660 PolarHBondContact O-N 3.23Å
658	H	35.2	Very low	36.8	Very low	128 Å²	128	127 Å²	127	59%	0.593	64%	0.644	S	S	*	*	H	α-helix	trans	-71.6	-16.9	-177.2	-114.8	-77.8	0	0	0	114.3	I654 N660	I654-H658 PolarHBondContact O-N 3.4Å; I654-H658 WeakPolarHBondContact O-CB 3.24Å; H658-N660 PolarHBondContact O-N 2.88Å
659	F	33.7	Very low	36.2	Very low	181 Å²	181	127.4 Å²	127.4	79%	0.794	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-8.6	176.7	-118.2	-81.5	0	0	0	114.2	L657	L657-F659 VanDerWaalsContact C-N 3.26Å; L657-F659 PolarHBondContact O-N 3.15Å
660	N	34.7	Very low	35.5	Very low	135 Å²	135	125.6 Å²	125.6	72%	0.722	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.7	-2.5	-175.6	-78.7	-46.1	0	0	0	115.3	L657 H658	L657-N660 PolarHBondContact O-N 3.23Å; H658-N660 PolarHBondContact O-N 2.88Å
661	N	32.8	Very low	35.1	Very low	140 Å²	140	127.1 Å²	127.1	75%	0.749	66%	0.66	S	S	*	*			trans	-145.2	85.9	176.4	-86.4	-56.6	0	0	0	111.5
662	I	27.4	Very low	34.4	Very low	142 Å²	142	125.1 Å²	125.1	73%	0.728	66%	0.663	S	S	*	*			trans	-104	90.1	168.7	-57.7	175.8	0	0	0	108.1
663	H	29.6	Very low	33.8	Very low	167 Å²	167	125.5 Å²	125.5	77%	0.773	67%	0.665	S	S	*	*			trans	-169.3	144.7	144.6	-118.5	-81.6	0	0	0	112.5
664	N	31.5	Very low	33.1	Very low	128 Å²	128	125.9 Å²	125.9	68%	0.684	67%	0.673	S	S	*	*	S	Bend	trans	77.2	112.2	162.9	-53.7	-16.6	0	0	0	119.2
665	N	33.6	Very low	32.6	Very low	147 Å²	147	131 Å²	131	79%	0.786	69%	0.689	S	S	*	*			trans	82.2	129.7	145.3	-57.9	4.8	0	0	0	119.2
666	D	29.5	Very low	32.2	Very low	165 Å²	165	132 Å²	132	88%	0.882	69%	0.691	S	S	*	*			trans	-68.5	135.9	-172.9	-48.4	-88.6	0	0	0	113.3
667	I	31.2	Very low	31.8	Very low	152 Å²	152	133.6 Å²	133.6	78%	0.779	69%	0.689	S	S	*	*			trans	-131.8	114.8	164.2	-59.9	-179.1	0	0	0	107
668	D	32.3	Very low	31.5	Very low	126 Å²	126	133.2 Å²	133.2	67%	0.674	68%	0.684	S	S	*	*			trans	-77.3	124.6	-176.7	-161.4	-31.7	0	0	0	110.8	T670	D668-T670 VanDerWaalsContact C-N 3.29Å; D668-T670 VanDerWaalsContact CG-OG1 3.24Å; D668-T670 PolarHBondContact O-N 2.74Å; D668-T670 WeakPolarHBondContact OD1-CB 3.32Å; D668-T670 WeakPolarHBondContact OD1-CG2 3.39Å; D668-T670 PolarHBondContact OD1-N 3.43Å; D668-T670 PolarHBondContact OD1-OG1 2.96Å
669	I	33.9	Very low	31.4	Very low	137 Å²	137	136.4 Å²	136.4	70%	0.703	69%	0.691	S	S	*	*			trans	-86.3	-2.1	-170.5	-65.1	175.8	0	0	0	111.8
670	T	32	Very low	31.3	Very low	93 Å²	93	132.1 Å²	132.1	57%	0.571	68%	0.679	S	S	*	*	S	Bend	trans	-68.1	-35.2	-171.4	43.2	0	0	0	0	115.8	D668 A672	D668-T670 VanDerWaalsContact C-N 3.29Å; D668-T670 VanDerWaalsContact CG-OG1 3.24Å; D668-T670 PolarHBondContact O-N 2.74Å; D668-T670 WeakPolarHBondContact OD1-CB 3.32Å; D668-T670 WeakPolarHBondContact OD1-CG2 3.39Å; D668-T670 PolarHBondContact OD1-N 3.43Å; D668-T670 PolarHBondContact OD1-OG1 2.96Å; T670-A672 PolarHBondContact O-N 3.28Å
671	D	32	Very low	31.2	Very low	127 Å²	127	128.9 Å²	128.9	68%	0.679	66%	0.662	S	S	*	*	H	α-helix	trans	-70.9	-31.5	-172.8	-89.2	-29.4	0	0	0	114.6	L673 S674	D671-L673 PolarHBondContact O-N 3.24Å; D671-S674 WeakPolarHBondContact O-CB 3.37Å; D671-S674 PolarHBondContact O-N 3.25Å; D671-S674 VanDerWaalsContact O-N 3.08Å
672	A	30.9	Very low	31.2	Very low	75 Å²	75	126.2 Å²	126.2	62%	0.62	65%	0.648	S	S	*	*	H	α-helix	trans	-63.8	-27.6	-176.4	0	0	0	0	0	113.5	T670	T670-A672 PolarHBondContact O-N 3.28Å
673	L	33.1	Very low	31.4	Very low	113 Å²	113	123.2 Å²	123.2	59%	0.592	64%	0.639	S	S	*	*	H	α-helix	trans	-81.7	-20.7	177.7	-73.7	164.7	0	0	0	113	D671 T676	D671-L673 PolarHBondContact O-N 3.24Å; L673-T676 PolarHBondContact O-OG1 2.99Å
674	S	29.7	Very low	31.7	Very low	76 Å²	76	121.7 Å²	121.7	53%	0.531	64%	0.635	S	S	.	*	H	α-helix	trans	-72.1	-45.6	178.1	-167.1	0	0	0	0	111.5	D671 T676 Y677 H678	D671-S674 WeakPolarHBondContact O-CB 3.37Å; D671-S674 PolarHBondContact O-N 3.25Å; D671-S674 VanDerWaalsContact O-N 3.08Å; S674-T676 PolarHBondContact O-N 3.23Å; S674-Y677 PolarHBondContact O-N 3.34Å; S674-H678 PolarHBondContact O-N 2.9Å
675	Y	28.5	Very low	31.8	Very low	187 Å²	187	119.6 Å²	119.6	73%	0.733	62%	0.624	S	S	*	*	H	α-helix	trans	-61.1	-39.1	-177.5	-103.7	-87.3	0	0	0	114.1	Y677 H678 W679	Y675-Y677 VanDerWaalsContact C-N 3.33Å; Y675-Y677 PolarHBondContact O-N 3.39Å; Y675-H678 PolarHBondContact O-N 2.87Å; Y675-W679 PolarHBondContact O-N 2.98Å
676	T	30.5	Very low	31.8	Very low	91 Å²	91	116.3 Å²	116.3	56%	0.558	61%	0.612	S	S	*	*	H	α-helix	trans	-72.9	-24.7	-178.7	42.7	0	0	0	0	113.2	L673 S674 T680	L673-T676 PolarHBondContact O-OG1 2.99Å; S674-T676 PolarHBondContact O-N 3.23Å; T676-T680 PolarHBondContact O-OG1 3.21Å
677	Y	30.2	Very low	32	Very low	169 Å²	169	118 Å²	118	66%	0.663	61%	0.612	S	S	*	*	H	α-helix	trans	-75.7	-27.4	173.9	-160.2	-91	0	0	0	112.7	S674 Y675 T680 N681	S674-Y677 PolarHBondContact O-N 3.34Å; Y675-Y677 VanDerWaalsContact C-N 3.33Å; Y675-Y677 PolarHBondContact O-N 3.39Å; Y677-T680 PolarHBondContact O-OG1 3.47Å; Y677-N681 PolarHBondContact O-ND2 3.48Å
678	H	29.8	Very low	32.1	Very low	119 Å²	119	114.4 Å²	114.4	55%	0.551	59%	0.594	S	S	*	*	H	α-helix	trans	-71.1	-51.3	178	-139.4	-71.6	0	0	0	111.5	S674 Y675 T680 N681 D682	S674-H678 PolarHBondContact O-N 2.9Å; Y675-H678 PolarHBondContact O-N 2.87Å; H678-T680 PolarHBondContact O-N 2.86Å; H678-T680 VanDerWaalsContact O-N 3.09Å; H678-N681 WeakPolarHBondContact O-CB 3.43Å; H678-N681 PolarHBondContact O-N 3.32Å; H678-D682 PolarHBondContact ND1-OD2 3.25Å; H678-D682 PolarHBondContact O-N 2.96Å; H678-D682 IonicContact ND1-OD2 3.11Å; H678-D682 IonicContact ND1-OD1 2.75Å; H678-D682 IonicContact CG-OD2 3.95Å; H678-D682 IonicContact CE1-OD2 3.19Å; H678-D682 IonicContact CE1-OD1 3.61Å
679	W	32.4	Very low	32.1	Very low	195 Å²	195	114.2 Å²	114.2	74%	0.739	59%	0.592	S	S	*	*	H	α-helix	trans	-55.3	-33.3	-175.3	-120.4	67.7	0	0	0	114.6	Y675 C683	Y675-W679 PolarHBondContact O-N 2.98Å; W679-C683 PolarHBondContact O-N 3.36Å; W679-C683 PolarHBondContact O-SG 3.27Å
680	T	32.6	Very low	31.9	Very low	90 Å²	90	118.7 Å²	118.7	55%	0.552	60%	0.602	S	S	*	*	H	α-helix	trans	-77.1	-20.9	178.9	45.1	0	0	0	0	113.6	T676 Y677 H678	T676-T680 PolarHBondContact O-OG1 3.21Å; Y677-T680 PolarHBondContact O-OG1 3.47Å; H678-T680 PolarHBondContact O-N 2.86Å; H678-T680 VanDerWaalsContact O-N 3.09Å
681	N	32	Very low	32	Very low	68 Å²	68	123.4 Å²	123.4	36%	0.364	62%	0.616	S	S	.	*	H	α-helix	trans	-82.5	-44.9	171.5	-74.2	-93.7	0	0	0	110.8	Y677 H678 C683 I684	Y677-N681 PolarHBondContact O-ND2 3.48Å; H678-N681 WeakPolarHBondContact O-CB 3.43Å; H678-N681 PolarHBondContact O-N 3.32Å; N681-C683 VanDerWaalsContact C-N 3.31Å; N681-C683 PolarHBondContact O-N 2.98Å; N681-I684 WeakPolarHBondContact O-CB 3.48Å; N681-I684 PolarHBondContact O-N 3.34Å
682	D	32.4	Very low	31.9	Very low	84 Å²	84	124 Å²	124	45%	0.449	61%	0.609	S	S	.	*	H	α-helix	trans	-65.7	-32.7	-175.9	-61.5	-45	0	0	0	113	H678 I684 D685 S686	H678-D682 PolarHBondContact ND1-OD2 3.25Å; H678-D682 PolarHBondContact O-N 2.96Å; H678-D682 IonicContact ND1-OD2 3.11Å; H678-D682 IonicContact ND1-OD1 2.75Å; H678-D682 IonicContact CG-OD2 3.95Å; H678-D682 IonicContact CE1-OD2 3.19Å; H678-D682 IonicContact CE1-OD1 3.61Å; D682-I684 PolarHBondContact O-N 3.36Å; D682-I684 VanDerWaalsContact O-N 3.11Å; D682-D685 PolarHBondContact O-N 2.87Å; D682-S686 PolarHBondContact O-N 3.12Å
683	C	30.9	Very low	31.8	Very low	79 Å²	79	128.4 Å²	128.4	53%	0.534	62%	0.623	S	S	.	*	H	α-helix	trans	-57.8	-23.7	172.6	-73.1	0	0	0	0	113.8	W679 N681 S686	W679-C683 PolarHBondContact O-N 3.36Å; W679-C683 PolarHBondContact O-SG 3.27Å; N681-C683 VanDerWaalsContact C-N 3.31Å; N681-C683 PolarHBondContact O-N 2.98Å; C683-S686 VanDerWaalsContact O-OG 3.08Å; C683-S686 PolarHBondContact O-OG 3.41Å
684	I	36.5	Very low	31.5	Very low	135 Å²	135	132.7 Å²	132.7	69%	0.692	64%	0.636	S	S	*	*	H	α-helix	trans	-86.3	-33.1	-177.9	-63.7	177.2	0	0	0	112.2	N681 D682	N681-I684 WeakPolarHBondContact O-CB 3.48Å; N681-I684 PolarHBondContact O-N 3.34Å; D682-I684 PolarHBondContact O-N 3.36Å; D682-I684 VanDerWaalsContact O-N 3.11Å
685	D	34.7	Very low	31.5	Very low	83 Å²	83	136.3 Å²	136.3	44%	0.444	65%	0.648	S	S	.	*	H	α-helix	trans	-81.8	-17.3	179.9	-95.4	-37.6	0	0	0	113.2	D682 K687 D688	D682-D685 PolarHBondContact O-N 2.87Å; D685-K687 PolarHBondContact O-N 3.38Å; D685-D688 PolarHBondContact O-N 3.31Å
686	S	33	Very low	31.4	Very low	78 Å²	78	134.3 Å²	134.3	55%	0.545	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.8	-23.3	-177.4	68.8	0	0	0	0	116.1	D682 C683	D682-S686 PolarHBondContact O-N 3.12Å; C683-S686 VanDerWaalsContact O-OG 3.08Å; C683-S686 PolarHBondContact O-OG 3.41Å
687	K	32.8	Very low	31.2	Very low	202 Å²	202	138.8 Å²	138.8	88%	0.878	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-3.2	176.1	-81.5	-178.8	175.3	173	0	115.2	D685	D685-K687 PolarHBondContact O-N 3.38Å
688	D	34.3	Very low	31	Very low	75 Å²	75	141.3 Å²	141.3	40%	0.401	67%	0.672	S	S	.	*	S	Bend	trans	-112.2	11.3	-175.3	-141.2	44.4	0	0	0	112.8	R330 D685 R692	R330-D688 IonicContact NH2-OD2 2.73Å; D685-D688 PolarHBondContact O-N 3.31Å; D688-R692 VanDerWaalsContact CG-NH2 3.31Å; D688-R692 PolarHBondContact O-NH2 3.44Å; D688-R692 IonicContact OD2-CZ 3.45Å; D688-R692 IonicContact OD2-NH2 3.81Å; D688-R692 PolarHBondContact OD2-NH2 2.94Å
689	I	32.3	Very low	30.9	Very low	122 Å²	122	143.5 Å²	143.5	63%	0.626	68%	0.68	S	S	*	*			trans	-83.8	-36.3	-176.1	-70.7	170.1	0	0	0	113	H691 R692	I689-H691 PolarHBondContact O-N 3.35Å; I689-R692 PolarHBondContact O-N 2.85Å
690	Y	30.6	Very low	30.6	Very low	232 Å²	232	141.3 Å²	141.3	91%	0.91	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	6	-169	-131.4	-87.3	0	0	0	116.2
691	H	33.8	Very low	30.2	Very low	191 Å²	191	142.7 Å²	142.7	88%	0.884	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134	13.6	-175.9	-102.9	-50	0	0	0	115.1	I689	I689-H691 PolarHBondContact O-N 3.35Å
692	R	28.6	Very low	30.1	Very low	139 Å²	139	144 Å²	144	53%	0.525	71%	0.706	S	S	.	*			trans	-108.8	1.5	-172.4	-140.3	179.1	-57.3	-84.3	-6.8	116.9	D688 I689	D688-R692 VanDerWaalsContact CG-NH2 3.31Å; D688-R692 PolarHBondContact O-NH2 3.44Å; D688-R692 IonicContact OD2-CZ 3.45Å; D688-R692 IonicContact OD2-NH2 3.81Å; D688-R692 PolarHBondContact OD2-NH2 2.94Å; I689-R692 PolarHBondContact O-N 2.85Å
693	N	28.7	Very low	30.1	Very low	169 Å²	169	147.5 Å²	147.5	90%	0.904	73%	0.725	S	S	*	*			trans	-106.5	81.8	173.5	-78.8	-10.1	0	0	0	112
694	K	27.9	Very low	29.8	Very low	202 Å²	202	152.3 Å²	152.3	88%	0.878	74%	0.739	S	S	*	*			trans	-153.7	62.2	158.8	-155.4	164.8	-170.9	170.3	0	111.5
695	I	29.6	Very low	29.3	Very low	152 Å²	152	152.6 Å²	152.6	78%	0.779	74%	0.741	S	S	*	*			trans	-89.3	149.7	160.5	-65.6	174.1	0	0	0	106.9	F697	I695-F697 PolarHBondContact O-N 2.95Å
696	D	26.5	Very low	28.8	Very low	146 Å²	146	156.3 Å²	156.3	78%	0.781	76%	0.756	S	S	*	*			trans	-70.1	117.1	-162.7	-55.4	-84.7	0	0	0	113.9	Y698	D696-Y698 PolarHBondContact O-N 3.13Å; D696-Y698 VanDerWaalsContact O-N 3.13Å
697	F	26.4	Very low	28.7	Very low	184 Å²	184	160.6 Å²	160.6	81%	0.807	77%	0.771	S	S	*	*			trans	-74.5	94.2	162.9	-96.3	-89.7	0	0	0	109.5	I695 F699	I695-F697 PolarHBondContact O-N 2.95Å; F697-F699 HydrophobicContact CD1-CD2 4.32Å; F697-F699 HydrophobicContact CD1-CE2 4.05Å
698	Y	25.7	Very low	28.5	Very low	222 Å²	222	158.1 Å²	158.1	87%	0.871	77%	0.768	S	S	*	*			trans	-77.5	109.9	151.7	-110	-96.4	0	0	0	107.7	D696 D700	D696-Y698 PolarHBondContact O-N 3.13Å; D696-Y698 VanDerWaalsContact O-N 3.13Å; Y698-D700 PolarHBondContact O-N 2.93Å
699	F	26.6	Very low	28.2	Very low	165 Å²	165	163.6 Å²	163.6	72%	0.724	79%	0.791	S	S	*	*			trans	-74.9	115.2	164.1	-97	-97.2	0	0	0	108.2	F697	F697-F699 HydrophobicContact CD1-CD2 4.32Å; F697-F699 HydrophobicContact CD1-CE2 4.05Å
700	D	26.9	Very low	28.1	Very low	149 Å²	149	163.4 Å²	163.4	80%	0.797	80%	0.797	S	S	*	*			trans	-101.1	143.7	151.5	-156.6	-15.4	0	0	0	107.7	Y698	Y698-D700 PolarHBondContact O-N 2.93Å
701	T	24.5	Very low	28	Very low	120 Å²	120	161.5 Å²	161.5	74%	0.736	80%	0.797	S	S	*	*			trans	-119.2	85	-165.4	54	0	0	0	0	111.2
702	S	29.8	Very low	27.8	Very low	94 Å²	94	158 Å²	158	66%	0.657	79%	0.792	S	S	*	*			trans	-154.5	147.4	166.5	52.3	0	0	0	0	112.1
703	N	31.2	Very low	27.9	Very low	158 Å²	158	158.4 Å²	158.4	85%	0.845	81%	0.809	S	S	*	*			trans	75	112.6	170.5	-55.7	-6.6	0	0	0	117.6
704	E	24.8	Very low	27.9	Very low	180 Å²	180	156.1 Å²	156.1	84%	0.841	80%	0.797	S	S	*	*			trans	-68.8	164.2	161.7	-57.7	147.3	144.9	0	0	108.8
705	L	27.5	Very low	28	Very low	141 Å²	141	154.3 Å²	154.3	74%	0.738	79%	0.791	S	S	*	*				-168.7	163.5	66.3	-153.8	73	0	0	0	113
706	E	23.7	Very low	27.9	Very low	161 Å²	161	153 Å²	153	75%	0.752	79%	0.786	S	S	*	*			trans	-24.6	137.3	171	-58.6	159.7	147.6	0	0	120.2
707	I	30.1	Very low	28.1	Very low	169 Å²	169	154.3 Å²	154.3	87%	0.867	79%	0.792	S	S	*	*			trans	-139.1	145	146.4	-61.5	-174.5	0	0	0	108.4
708	N	29.7	Very low	28	Very low	150 Å²	150	154.4 Å²	154.4	80%	0.802	79%	0.792	S	S	*	*			trans	-86.2	160.4	-168	-50.9	-72.7	0	0	0	115.3
709	E	26.9	Very low	28.1	Very low	189 Å²	189	150 Å²	150	88%	0.883	79%	0.789	S	S	*	*			trans	-76.7	153.5	162.1	-63	-176.5	136.4	0	0	111.6
710	P	30.4	Very low	28	Very low	118 Å²	118	149.5 Å²	149.5	77%	0.766	79%	0.792	S	S	*	*				-147.7	136	121.8	35.4	-19.2	0	0	0	116.7
711	E	29	Very low	28.1	Very low	192 Å²	192	151.5 Å²	151.5	90%	0.897	79%	0.79	S	S	*	*			trans	40.3	157.5	142	-62.3	-166.7	137.1	0	0	125.1
712	P	29.2	Very low	28.2	Very low	119 Å²	119	152.3 Å²	152.3	77%	0.773	79%	0.789	S	S	*	*			trans	-116.3	142.2	-166.3	39.3	-25.6	0	0	0	117
713	V	29.8	Very low	28.1	Very low	147 Å²	147	157.1 Å²	157.1	89%	0.891	80%	0.798	S	S	*	*			trans	-153.6	142.8	178.7	175.9	0	0	0	0	107.4
714	D	30.7	Very low	27.9	Very low	121 Å²	121	157.3 Å²	157.3	65%	0.647	79%	0.793	S	S	*	*			cis	-141.9	174.4	0.7	166.9	59.7	0	0	0	109.5	N716	D714-N716 PolarHBondContact OD1-ND2 3.21Å; D714-N716 VanDerWaalsContact OD2-CB 3.22Å; D714-N716 WeakPolarHBondContact OD2-CB 3.31Å; D714-N716 PolarHBondContact OD2-N 3.11Å; D714-N716 PolarHBondContact OD2-ND2 3.46Å
715	E	28.1	Very low	28.2	Very low	163 Å²	163	155.7 Å²	155.7	76%	0.762	79%	0.789	S	S	*	*			trans	-109.1	14	-175.4	-146.2	178.6	-172.3	0	0	117.2	L717	E715-L717 PolarHBondContact O-N 2.88Å
716	N	27.8	Very low	28.4	Very low	125 Å²	125	154 Å²	154	67%	0.668	79%	0.787	S	S	*	*			trans	-100.8	52.7	-166.7	-71.5	-76.6	0	0	0	118.9	D714	D714-N716 PolarHBondContact OD1-ND2 3.21Å; D714-N716 VanDerWaalsContact OD2-CB 3.22Å; D714-N716 WeakPolarHBondContact OD2-CB 3.31Å; D714-N716 PolarHBondContact OD2-N 3.11Å; D714-N716 PolarHBondContact OD2-ND2 3.46Å
717	L	30.9	Very low	28.8	Very low	173 Å²	173	153.9 Å²	153.9	91%	0.906	79%	0.789	S	S	*	*			trans	-150.5	44.6	165.4	-143.9	75.1	0	0	0	117.3	E715	E715-L717 PolarHBondContact O-N 2.88Å
718	K	25.4	Very low	28.7	Very low	186 Å²	186	152.1 Å²	152.1	81%	0.809	79%	0.787	S	S	*	*			trans	-118.1	79.7	172.8	-75.5	179.4	-179	161.6	0	113.4
719	T	26.4	Very low	28.5	Very low	131 Å²	131	153.2 Å²	153.2	80%	0.804	79%	0.787	S	S	*	*			trans	-154.8	101.8	154.6	-64.4	0	0	0	0	111.2
720	L	25.5	Very low	28.6	Very low	153 Å²	153	151.9 Å²	151.9	80%	0.801	78%	0.781	S	S	*	*	S	Bend	trans	-168.2	109.1	140.8	-132.6	54.3	0	0	0	111.4
721	Y	29	Very low	28.4	Very low	192 Å²	192	152.3 Å²	152.3	75%	0.753	78%	0.777	S	S	*	*			trans	29.7	108.6	160.4	-60	-98	0	0	0	118.8
722	I	25.9	Very low	28.2	Very low	137 Å²	137	149.4 Å²	149.4	70%	0.703	77%	0.771	S	S	*	*				58.9	105.6	63.8	-53.7	172.8	0	0	0	113.3
723	F	28.5	Very low	28.2	Very low	194 Å²	194	151.4 Å²	151.4	85%	0.851	77%	0.774	S	S	*	*				-156.7	131.8	117.3	-116	-78.4	0	0	0	111.2
724	H	27.4	Very low	28	Very low	162 Å²	162	152.1 Å²	152.1	75%	0.75	77%	0.773	S	S	*	*			trans	-78.6	169.3	169.7	-95.9	-114	0	0	0	109.7
725	I	30.6	Very low	27.9	Very low	146 Å²	146	155.8 Å²	155.8	75%	0.749	79%	0.786	S	S	*	*				-165.5	143.8	71.1	-80.4	159.6	0	0	0	110.3	I727	I725-I727 HydrophobicContact CG2-CG1 4.45Å
726	P	31.5	Very low	27.8	Very low	106 Å²	106	152.7 Å²	152.7	69%	0.688	78%	0.783	S	S	*	*			trans	-94.2	152.6	171.1	37.4	-33.4	0	0	0	113
727	I	32.1	Very low	27.6	Very low	158 Å²	158	157.5 Å²	157.5	81%	0.81	79%	0.793	S	S	*	*			trans	-137.2	150.4	168	-61.1	-176	0	0	0	109.9	I725	I725-I727 HydrophobicContact CG2-CG1 4.45Å
728	T	27.2	Very low	27.5	Very low	132 Å²	132	157.4 Å²	157.4	81%	0.81	79%	0.792	S	S	*	*			trans	-97.3	-173.8	-169.8	48	0	0	0	0	114.3
729	E	26.8	Very low	27.5	Very low	174 Å²	174	155.6 Å²	155.6	81%	0.813	79%	0.791	S	S	*	*			trans	-59.5	144.1	174.4	-57.6	163.8	121.1	0	0	113.1
730	H	27.5	Very low	27.6	Very low	161 Å²	161	158.1 Å²	158.1	75%	0.745	79%	0.794	S	S	*	*				-176.4	156.7	121.4	-110.6	-89.2	0	0	0	112.5
731	D	27.7	Very low	27.6	Very low	127 Å²	127	155.3 Å²	155.3	68%	0.679	79%	0.787	S	S	*	*			trans	47	117.6	151.2	-53.5	-22.2	0	0	0	120.3
732	V	25.1	Very low	27.4	Very low	130 Å²	130	153.6 Å²	153.6	79%	0.788	79%	0.79	S	S	*	*				72.8	107.1	70.5	174.3	0	0	0	0	113.6
733	I	28.7	Very low	27.5	Very low	162 Å²	162	154.4 Å²	154.4	83%	0.831	80%	0.795	S	S	*	*			trans	-176.4	143.2	139	-96.2	154.5	0	0	0	107.8
734	D	25	Very low	27.6	Very low	162 Å²	162	152 Å²	152	87%	0.866	79%	0.791	S	S	*	*			trans	-81.9	141.4	169.6	-76.9	-70.1	0	0	0	110.5
735	E	29.3	Very low	27.5	Very low	198 Å²	198	153.4 Å²	153.4	93%	0.925	80%	0.795	S	S	*	*			trans	-140.4	133.6	159	-153.2	165.9	-128.4	0	0	110.2
736	S	25.1	Very low	27.4	Very low	98 Å²	98	154.6 Å²	154.6	69%	0.685	80%	0.797	S	S	*	*			trans	-125	148.1	-168	69.4	0	0	0	0	110.6
737	Y	24.4	Very low	27.3	Very low	225 Å²	225	155.9 Å²	155.9	88%	0.882	80%	0.803	S	S	*	*			trans	52.4	103	170.5	-84.9	-92.7	0	0	0	116.9
738	L	28.9	Very low	27.2	Very low	171 Å²	171	153.1 Å²	153.1	90%	0.895	80%	0.798	S	S	*	*				-144	145.3	128.4	-143.8	69.4	0	0	0	111.4
739	D	25.5	Very low	27.1	Very low	148 Å²	148	151.9 Å²	151.9	79%	0.791	80%	0.795	S	S	*	*			trans	-101.6	125.6	174.4	177	25.7	0	0	0	107.8
740	E	29	Very low	27.3	Very low	185 Å²	185	149 Å²	149	86%	0.864	79%	0.794	S	S	*	*			trans	-144.1	129.2	162.8	-154.8	167	-146.7	0	0	112.4
741	S	24.4	Very low	27.3	Very low	93 Å²	93	148.9 Å²	148.9	65%	0.65	80%	0.799	S	S	*	*			trans	-87	-177	179.4	68.7	0	0	0	0	112
742	L	25.4	Very low	27.4	Very low	157 Å²	157	146.3 Å²	146.3	82%	0.822	80%	0.802	S	S	*	*			trans	79.9	98.2	171.7	-53.1	163.8	0	0	0	117.1
743	L	27.4	Very low	27.6	Very low	153 Å²	153	146 Å²	146	80%	0.801	80%	0.804	S	S	*	*				-152.4	149.6	115	-139	65.6	0	0	0	113.1
744	N	30.2	Very low	27.6	Very low	143 Å²	143	147 Å²	147	77%	0.765	80%	0.803	S	S	*	*			trans	64.1	72.1	161.8	-60	-29.4	0	0	0	119.2
745	K	25.2	Very low	27.7	Very low	193 Å²	193	145.3 Å²	145.3	84%	0.839	79%	0.794	S	S	*	*				-74	133	123.4	-83.6	179.1	175.1	173.1	0	108.3
746	H	28.3	Very low	27.8	Very low	170 Å²	170	138.6 Å²	138.6	79%	0.787	78%	0.778	S	S	*	*				173.1	157.4	124.3	-104.8	-90.6	0	0	0	111.4
747	T	30.5	Very low	28.1	Very low	133 Å²	133	142 Å²	142	82%	0.816	79%	0.785	S	S	*	*			trans	59.2	151.4	174.4	67.4	0	0	0	0	118.5
748	S	29.6	Very low	28.4	Very low	100 Å²	100	137.7 Å²	137.7	70%	0.699	78%	0.776	S	S	*	*			cis	-164.5	125.7	-39.1	47.9	0	0	0	0	111.4
749	S	25	Very low	28.6	Very low	107 Å²	107	133.9 Å²	133.9	75%	0.748	76%	0.763	S	S	*	*			trans	24.9	112.9	152.5	58	0	0	0	0	122
750	S	30.5	Very low	28.8	Very low	112 Å²	112	135.5 Å²	135.5	78%	0.783	76%	0.764	S	S	*	*				164.8	156.3	127.5	48.4	0	0	0	0	111.7
751	N	29.2	Very low	28.9	Very low	159 Å²	159	131 Å²	131	85%	0.85	75%	0.751	S	S	*	*			cis	-162	134.4	-41.1	-112.1	-1.2	0	0	0	110.4
752	G	28.9	Very low	29.2	Very low	73 Å²	73	133.7 Å²	133.7	75%	0.753	75%	0.754	S	S	*	*			trans	73.8	149.7	168.2	0	0	0	0	0	116.9
753	C	28.5	Very low	29.4	Very low	123 Å²	123	135.5 Å²	135.5	83%	0.831	75%	0.751	S	S	*	*			cis	-137.9	147.9	-11.2	-79.4	0	0	0	0	108.9
754	F	28.5	Very low	29.5	Very low	184 Å²	184	134.5 Å²	134.5	81%	0.807	75%	0.745	S	S	*	*				71.2	136.7	54.2	-104.3	-132.2	0	0	0	113.6
755	N	29	Very low	29.3	Very low	127 Å²	127	138 Å²	138	68%	0.679	75%	0.75	S	S	*	*			cis	-162.2	169.5	10.8	-162	9.7	0	0	0	114.3
756	G	30	Very low	29.4	Very low	57 Å²	57	136.5 Å²	136.5	59%	0.588	74%	0.743	S	S	*	*			trans	120.9	132.9	160.6	0	0	0	0	0	114.9
757	M	31.8	Very low	29.4	Very low	170 Å²	170	135.5 Å²	135.5	84%	0.837	74%	0.738	S	S	*	*			cis	-142.2	130.4	-3.2	-71.1	-178.2	76	0	0	107.8
758	I	30.1	Very low	29.2	Very low	133 Å²	133	138.8 Å²	138.8	68%	0.682	74%	0.736	S	S	*	*				65.9	129.3	77.2	-62.6	164.8	0	0	0	111.4
759	S	33.3	Very low	29.1	Very low	91 Å²	91	140.5 Å²	140.5	64%	0.636	74%	0.737	S	S	*	*			cis	-127.4	-177.5	15.5	-90	0	0	0	0	110.3
760	K	29.9	Very low	29.2	Very low	183 Å²	183	146.9 Å²	146.9	80%	0.796	75%	0.745	S	S	*	*			cis	-169.9	170.3	-12.3	-103	167.9	-174	177.8	0	104.9
761	C	31	Very low	29	Very low	89 Å²	89	145.8 Å²	145.8	60%	0.601	74%	0.737	S	S	*	*			cis	-144.9	168.7	-3.2	-107.7	0	0	0	0	106.1
762	Q	30.6	Very low	28.9	Very low	151 Å²	151	142.7 Å²	142.7	71%	0.706	73%	0.728	S	S	*	*				57.9	127.8	60.6	-56.5	-177.9	-29.1	0	0	114.5
763	Y	29.3	Very low	28.9	Very low	195 Å²	195	146.3 Å²	146.3	77%	0.765	73%	0.729	S	S	*	*			cis	-160.8	169.4	5.4	-127.7	-167.5	0	0	0	108.9
764	L	29.9	Very low	28.9	Very low	131 Å²	131	147.5 Å²	147.5	69%	0.686	72%	0.722	S	S	*	*			cis	-142.1	-122.9	2.6	-151.9	174.6	0	0	0	109.1
765	Y	26	Very low	29	Very low	217 Å²	217	144.8 Å²	144.8	85%	0.851	72%	0.717	S	S	*	*			trans	-162.3	163.4	177.7	-150.5	-100.1	0	0	0	112
766	K	27	Very low	29.2	Very low	161 Å²	161	148.7 Å²	148.7	70%	0.7	73%	0.727	S	S	*	*			trans	105.8	129.5	155.2	-152.2	-172.9	-171.3	-174.7	0	118.3
767	H	29.8	Very low	29.2	Very low	149 Å²	149	150.3 Å²	150.3	69%	0.69	73%	0.73	S	S	*	*			trans	66.8	148.9	171.2	-68.3	-47.1	0	0	0	117.1
768	R	26.3	Very low	29.4	Very low	202 Å²	202	149.8 Å²	149.8	76%	0.762	73%	0.731	S	S	*	*			cis	-165.7	137	-20.2	179.7	178	-167.5	172.8	1.8	108.2
769	N	26.1	Very low	29.4	Very low	137 Å²	137	148.6 Å²	148.6	73%	0.733	73%	0.73	S	S	*	*			trans	26.5	111.2	163.2	-52.8	7.7	0	0	0	119.2
770	R	27.4	Very low	29.4	Very low	240 Å²	240	154.5 Å²	154.5	91%	0.906	74%	0.744	S	S	*	*				178.9	127.2	106.8	-102.2	173.2	175	165	-1.9	115.5
771	S	27.3	Very low	29.5	Very low	89 Å²	89	151.9 Å²	151.9	62%	0.622	74%	0.739	S	S	*	*			trans	27.6	118	136.8	60.5	0	0	0	0	122.1
772	S	26.4	Very low	29.5	Very low	95 Å²	95	153.9 Å²	153.9	66%	0.664	75%	0.752	S	S	*	*				75.1	156.3	121.8	70.1	0	0	0	0	121.9
773	L	28.1	Very low	29.8	Very low	148 Å²	148	151.9 Å²	151.9	78%	0.775	75%	0.753	S	S	*	*			trans	67	143.9	173.5	-74.7	110.6	0	0	0	115.8
774	H	29.9	Very low	30.1	Very low	148 Å²	148	149.1 Å²	149.1	69%	0.685	76%	0.76	S	S	*	*			cis	-158.4	173.4	-18.5	-144.5	-121.4	0	0	0	110.2
775	N	30.2	Very low	30.1	Very low	128 Å²	128	148 Å²	148	68%	0.684	76%	0.763	S	S	*	*			trans	-14.8	140.9	168.9	-57.8	-4.5	0	0	0	119
776	K	33.9	Very low	30.5	Very low	208 Å²	208	144.3 Å²	144.3	90%	0.904	77%	0.768	S	S	*	*				-153.3	144.1	105.7	-113.1	171.4	-175.4	179.5	0	114
777	S	29.5	Very low	30.6	Very low	91 Å²	91	141.9 Å²	141.9	64%	0.636	77%	0.771	S	S	*	*			trans	-82.6	165.5	174.1	52.1	0	0	0	0	111.8
778	N	35.2	Very low	30.7	Very low	160 Å²	160	139.5 Å²	139.5	86%	0.856	77%	0.77	S	S	*	*				-157.6	147.9	112.6	-95.3	-4.5	0	0	0	110.7
779	T	31	Very low	30.8	Very low	108 Å²	108	137.1 Å²	137.1	66%	0.663	77%	0.772	S	S	*	*			trans	-107.1	161.6	-174.1	45.4	0	0	0	0	111.5
780	F	32.7	Very low	31.3	Very low	214 Å²	214	137.9 Å²	137.9	94%	0.939	78%	0.775	S	S	*	*			trans	-150.3	106.9	146.8	-116.4	-76	0	0	0	108.9
781	D	32.5	Very low	31.2	Very low	129 Å²	129	134.9 Å²	134.9	69%	0.69	77%	0.77	S	S	*	*			trans	-96.4	154.4	176.2	-63.9	-81.3	0	0	0	110.7
782	C	31.3	Very low	31.8	Very low	131 Å²	131	141.8 Å²	141.8	89%	0.885	80%	0.799	S	S	*	*				-168.3	155.7	123.3	-107.2	0	0	0	0	111.7
783	P	36.6	Very low	32.1	Very low	109 Å²	109	144.2 Å²	144.2	71%	0.708	81%	0.806	S	S	*	*			trans	-128.6	176.8	-151	42.5	-28.2	0	0	0	115.1
784	C	35.7	Very low	32.3	Very low	137 Å²	137	143.9 Å²	143.9	93%	0.926	81%	0.808	S	S	*	*				-155.2	146.7	128.1	-100.8	0	0	0	0	110.4
785	S	29.8	Very low	32.4	Very low	107 Å²	107	143.7 Å²	143.7	75%	0.748	82%	0.815	S	S	*	*			trans	-132	147.6	-170.3	55	0	0	0	0	112.5
786	C	33.3	Very low	32.6	Very low	140 Å²	140	144.6 Å²	144.6	95%	0.946	82%	0.822	S	S	*	*			trans	-146.7	150.4	134.5	-99.8	0	0	0	0	108.7
787	S	29.9	Very low	32.5	Very low	109 Å²	109	140.7 Å²	140.7	76%	0.762	82%	0.817	S	S	*	*			trans	-151.7	-167.9	-162	-168.3	0	0	0	0	109.9
788	C	32.3	Very low	32.7	Very low	99 Å²	99	144 Å²	144	67%	0.669	83%	0.829	S	S	*	*			trans	77.4	112.7	173.5	-55.6	0	0	0	0	113.4
789	L	28.8	Very low	32.5	Very low	153 Å²	153	142.9 Å²	142.9	80%	0.801	83%	0.827	S	S	*	*				76.5	146.3	77	-67.8	158.5	0	0	0	111.2
790	L	35.3	Very low	32.6	Very low	152 Å²	152	145.5 Å²	145.5	80%	0.796	84%	0.84	S	S	*	*			cis	-139	163.3	21.7	-170.6	63.6	0	0	0	111.7
791	H	26.4	Very low	32.6	Very low	177 Å²	177	139.8 Å²	139.8	82%	0.819	83%	0.832	S	S	*	*			trans	-66.7	139.6	165.9	-108.8	-89	0	0	0	112
792	L	39.2	Very low	32.6	Very low	235 Å²	235	140.8 Å²	140.8	100%	1.23	85%	0.845	S	S	*	*			trans	-140.1	0	136.8	-125.8	172.6	0	0	0	106.7

Retrieved 792 of 792 residues in 197.2 ms (Link to these results)

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