A0A3Q0KMG1_SCHMA Loading...

Non-specific serine/threonine protein kinase

AlphaFold DB (A0A5K4EN24), UniProt , Accession A0A3Q0KMG1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 725 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	50.4	Low	56.9	Low	93 Å²	93	66.3 Å²	66.3	46%	0.458	37%	0.373	S	S	.	.				0	125.9	0	-91.6	-171.2	178.3	0	0	107.2	L40 L44	M1-L40 HydrophobicContact CE-CD1 4.48Å; M1-L44 HydrophobicContact CE-CB 4.16Å; M1-L44 HydrophobicContact CE-CD2 3.43Å; M1-L44 VanDerWaalsContact CE-CD2 3.43Å; M1-L44 HydrophobicContact CE-CG 4.42Å; M1-L44 HydrophobicContact CG-CD2 4.18Å; M1-L44 HydrophobicContact SD-CD2 3.37Å; M1-L44 WeakPolarHBondContact SD-CD2 3.36Å
2	D	51.9	Low	56.7	Low	74 Å²	74	64.5 Å²	64.5	40%	0.396	36%	0.361	S	S	.	.			trans	-59.6	139.4	173	-69.6	-43.9	0	0	0	109.6	D4 I5 R28 Y32	D2-D4 PolarHBondContact O-N 2.98Å; D2-I5 PolarHBondContact O-N 3.29Å; D2-I5 VanDerWaalsContact O-N 3.08Å; D2-R28 IonicContact OD2-CZ 3.5Å; D2-R28 IonicContact OD2-NE 2.64Å; D2-R28 IonicContact OD2-NH2 3.58Å; D2-R28 PolarHBondContact OD2-NH2 3.47Å; D2-Y32 PolarHBondContact OD2-OH 3.09Å
3	G	57.2	Low	56.3	Low	46 Å²	46	69.2 Å²	69.2	47%	0.474	38%	0.375	S	S	.	.	H	α-helix	trans	-53.7	-24.3	-178	0	0	0	0	0	113.7	I5 L6 N7	G3-I5 PolarHBondContact O-N 3.46Å; G3-L6 PolarHBondContact O-N 2.97Å; G3-N7 WeakPolarHBondContact O-CB 3.5Å; G3-N7 PolarHBondContact O-N 3.44Å; G3-N7 PolarHBondContact O-ND2 2.69Å
4	D	57.9	Low	56.3	Low	94 Å²	94	68.6 Å²	68.6	50%	0.503	38%	0.376	S	S	.	.	H	α-helix	trans	-59.2	-41.9	176.8	-61.5	-22.5	0	0	0	113.1	D2 N7 V8 R28	D2-D4 PolarHBondContact O-N 2.98Å; D4-N7 PolarHBondContact O-N 2.64Å; D4-V8 VanDerWaalsContact O-CG2 3.29Å; D4-V8 WeakPolarHBondContact O-CG2 3.25Å; D4-V8 PolarHBondContact O-N 3.18Å; D4-R28 IonicContact OD2-NH1 3.5Å
5	I	56.6	Low	55.9	Low	4 Å²	4	68.1 Å²	68.1	2%	0.021	39%	0.393	C	S	.	.	H	α-helix	trans	-74.5	-41.4	-177.1	-61.4	167.2	0	0	0	110.3	D2 G3 N7 V8 V9 L29 Y32	D2-I5 PolarHBondContact O-N 3.29Å; D2-I5 VanDerWaalsContact O-N 3.08Å; G3-I5 PolarHBondContact O-N 3.46Å; I5-N7 PolarHBondContact O-N 3.39Å; I5-V8 PolarHBondContact O-N 2.93Å; I5-V9 HydrophobicContact CG2-CG2 4.2Å; I5-V9 WeakPolarHBondContact O-CB 3.34Å; I5-V9 WeakPolarHBondContact O-CG2 3.28Å; I5-V9 PolarHBondContact O-N 2.84Å; I5-L29 HydrophobicContact CG2-CD2 4.38Å; I5-Y32 HydrophobicContact CD1-CD2 3.5Å; I5-Y32 HydrophobicContact CD1-CE1 4.33Å; I5-Y32 HydrophobicContact CD1-CE2 2.99Å; I5-Y32 HydrophobicContact CD1-CG 4.38Å; I5-Y32 VanDerWaalsContact CD1-CZ 3.45Å; I5-Y32 HydrophobicContact CG1-CE2 4.35Å
6	L	59.5	Low	55	Low	102 Å²	102	73.1 Å²	73.1	53%	0.534	41%	0.411	S	S	.	.	H	α-helix	trans	-61.3	-38.6	176	-120.6	143.2	0	0	0	110.5	G3 H10	G3-L6 PolarHBondContact O-N 2.97Å; L6-H10 VanDerWaalsContact O-CB 3.25Å; L6-H10 WeakPolarHBondContact O-CB 3.37Å; L6-H10 PolarHBondContact O-N 3.08Å
7	N	61.3	Low	54.3	Low	100 Å²	100	77.9 Å²	77.9	54%	0.535	43%	0.426	S	S	.	.	H	α-helix	trans	-67.1	-41	173.5	-72.9	-17.7	0	0	0	112.7	G3 D4 I5 H10 S11	G3-N7 WeakPolarHBondContact O-CB 3.5Å; G3-N7 PolarHBondContact O-N 3.44Å; G3-N7 PolarHBondContact O-ND2 2.69Å; D4-N7 PolarHBondContact O-N 2.64Å; I5-N7 PolarHBondContact O-N 3.39Å; N7-H10 PolarHBondContact O-N 2.74Å; N7-S11 VanDerWaalsContact O-CB 3.28Å; N7-S11 WeakPolarHBondContact O-CB 3.45Å; N7-S11 PolarHBondContact O-N 2.9Å; N7-S11 PolarHBondContact O-OG 2.91Å
8	V	59.2	Low	53.5	Low	23 Å²	23	81.9 Å²	81.9	14%	0.139	45%	0.448	C	S	.	.	H	α-helix	trans	-63.7	-47.5	174.7	170	0	0	0	0	110.6	D4 I5 H10 S11 I12	D4-V8 VanDerWaalsContact O-CG2 3.29Å; D4-V8 WeakPolarHBondContact O-CG2 3.25Å; D4-V8 PolarHBondContact O-N 3.18Å; I5-V8 PolarHBondContact O-N 2.93Å; V8-H10 VanDerWaalsContact C-N 3.32Å; V8-H10 PolarHBondContact O-N 3.43Å; V8-S11 PolarHBondContact O-N 3.44Å; V8-I12 HydrophobicContact CG1-CD1 3.68Å; V8-I12 HydrophobicContact CG1-CG1 4.45Å; V8-I12 VanDerWaalsContact O-CG1 3.28Å; V8-I12 WeakPolarHBondContact O-CG1 3.09Å; V8-I12 PolarHBondContact O-N 3.03Å
9	V	56.1	Low	52.8	Low	31 Å²	31	86.4 Å²	86.4	19%	0.188	47%	0.471	C	S	.	.	H	α-helix	trans	-58.4	-44.2	176.2	172.4	0	0	0	0	110.7	I5 K13 C51	I5-V9 HydrophobicContact CG2-CG2 4.2Å; I5-V9 WeakPolarHBondContact O-CB 3.34Å; I5-V9 WeakPolarHBondContact O-CG2 3.28Å; I5-V9 PolarHBondContact O-N 2.84Å; V9-K13 HydrophobicContact CG1-CD 4.41Å; V9-K13 WeakPolarHBondContact O-CB 3.29Å; V9-K13 WeakPolarHBondContact O-CG 3.2Å; V9-K13 PolarHBondContact O-N 3.33Å; V9-C51 HydrophobicContact CG1-CB 4.45Å; V9-C51 HydrophobicContact CG2-CB 4.28Å
10	H	59.4	Low	52.2	Low	116 Å²	116	84.9 Å²	84.9	54%	0.537	47%	0.47	S	S	.	.	H	α-helix	trans	-67.9	-40.4	178.6	-164	-22.6	0	0	0	112.2	L6 N7 V8 K13 T14	L6-H10 VanDerWaalsContact O-CB 3.25Å; L6-H10 WeakPolarHBondContact O-CB 3.37Å; L6-H10 PolarHBondContact O-N 3.08Å; N7-H10 PolarHBondContact O-N 2.74Å; V8-H10 VanDerWaalsContact C-N 3.32Å; V8-H10 PolarHBondContact O-N 3.43Å; H10-K13 PolarHBondContact O-N 3.39Å; H10-T14 WeakPolarHBondContact CE1-CG2 3.38Å; H10-T14 VanDerWaalsContact ND1-CG2 3.29Å; H10-T14 WeakPolarHBondContact ND1-CG2 3.47Å; H10-T14 WeakPolarHBondContact O-CB 3.34Å; H10-T14 WeakPolarHBondContact O-CG2 3.42Å; H10-T14 PolarHBondContact O-N 3.01Å; H10-T14 PolarHBondContact O-OG1 3.02Å
11	S	56.5	Low	52.1	Low	46 Å²	46	85.7 Å²	85.7	32%	0.322	49%	0.488	S	S	.	.	H	α-helix	trans	-65	-41.4	178.6	-57.9	0	0	0	0	111.2	N7 V8 T14 G15	N7-S11 VanDerWaalsContact O-CB 3.28Å; N7-S11 WeakPolarHBondContact O-CB 3.45Å; N7-S11 PolarHBondContact O-N 2.9Å; N7-S11 PolarHBondContact O-OG 2.91Å; V8-S11 PolarHBondContact O-N 3.44Å; S11-T14 PolarHBondContact O-N 2.88Å; S11-T14 PolarHBondContact O-OG1 2.95Å; S11-G15 PolarHBondContact O-N 3.24Å; S11-G15 VanDerWaalsContact O-N 3.12Å
12	I	54.8	Low	52.2	Low	45 Å²	45	84.9 Å²	84.9	23%	0.231	49%	0.489	C	S	.	.	H	α-helix	trans	-67.3	-43.5	176.1	-65.9	167.2	0	0	0	110.9	V8 T14 M55	V8-I12 HydrophobicContact CG1-CD1 3.68Å; V8-I12 HydrophobicContact CG1-CG1 4.45Å; V8-I12 VanDerWaalsContact O-CG1 3.28Å; V8-I12 WeakPolarHBondContact O-CG1 3.09Å; V8-I12 PolarHBondContact O-N 3.03Å; I12-T14 VanDerWaalsContact C-N 3.3Å; I12-T14 PolarHBondContact O-N 3.29Å; I12-M55 HydrophobicContact CD1-CE 3.54Å; I12-M55 HydrophobicContact CD1-CG 3.89Å; I12-M55 HydrophobicContact CD1-SD 3.63Å; I12-M55 HydrophobicContact CG2-CG 4.31Å
13	K	51.4	Low	52.7	Low	125 Å²	125	87.1 Å²	87.1	54%	0.543	51%	0.508	S	S	.	.	H	α-helix	trans	-65.6	-28.5	178.4	-80.9	-172	174.6	-174.2	0	113.9	V9 H10	V9-K13 HydrophobicContact CG1-CD 4.41Å; V9-K13 WeakPolarHBondContact O-CB 3.29Å; V9-K13 WeakPolarHBondContact O-CG 3.2Å; V9-K13 PolarHBondContact O-N 3.33Å; H10-K13 PolarHBondContact O-N 3.39Å
14	T	56.1	Low	53.2	Low	62 Å²	62	85.9 Å²	85.9	38%	0.38	49%	0.491	S	S	.	.	H	α-helix	trans	-95.8	-16.5	-176.1	48.6	0	0	0	0	114.1	H10 S11 I12 E16	H10-T14 WeakPolarHBondContact CE1-CG2 3.38Å; H10-T14 VanDerWaalsContact ND1-CG2 3.29Å; H10-T14 WeakPolarHBondContact ND1-CG2 3.47Å; H10-T14 WeakPolarHBondContact O-CB 3.34Å; H10-T14 WeakPolarHBondContact O-CG2 3.42Å; H10-T14 PolarHBondContact O-N 3.01Å; H10-T14 PolarHBondContact O-OG1 3.02Å; S11-T14 PolarHBondContact O-N 2.88Å; S11-T14 PolarHBondContact O-OG1 2.95Å; I12-T14 VanDerWaalsContact C-N 3.3Å; I12-T14 PolarHBondContact O-N 3.29Å; T14-E16 PolarHBondContact O-N 3.45Å; T14-E16 VanDerWaalsContact O-N 3.07Å
15	G	49.8	Very low	54.1	Low	61 Å²	61	83.4 Å²	83.4	63%	0.629	48%	0.48	S	S	*	.			trans	63.4	7.2	-173.4	0	0	0	0	0	113.6	S11 K17	S11-G15 PolarHBondContact O-N 3.24Å; S11-G15 VanDerWaalsContact O-N 3.12Å; G15-K17 PolarHBondContact O-N 3.46Å
16	E	41.7	Very low	55.2	Low	147 Å²	147	84 Å²	84	69%	0.687	48%	0.482	S	S	*	.			trans	-81.6	83.9	-178.5	-75.7	-172.2	166.2	0	0	110	T14	T14-E16 PolarHBondContact O-N 3.45Å; T14-E16 VanDerWaalsContact O-N 3.07Å
17	K	43.4	Very low	56.2	Low	155 Å²	155	85.9 Å²	85.9	67%	0.674	49%	0.488	S	S	*	.			trans	172.2	91.3	138.8	-93.9	164.7	-171.6	-179.2	0	109.8	G15 N19	G15-K17 PolarHBondContact O-N 3.46Å; K17-N19 PolarHBondContact O-N 3.2Å
18	D	39.8	Very low	56.9	Low	151 Å²	151	85.3 Å²	85.3	81%	0.807	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	126.8	156.5	-73	-36	0	0	0	109.1
19	N	39.7	Very low	57.9	Low	166 Å²	166	84.4 Å²	84.4	89%	0.888	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	0.2	164.4	-53.6	-30.7	0	0	0	120.5	K17	K17-N19 PolarHBondContact O-N 3.2Å
20	A	42.1	Very low	59.1	Low	56 Å²	56	83.3 Å²	83.3	46%	0.463	47%	0.468	S	S	.	.	S	Bend	trans	-91.5	119.4	164.1	0	0	0	0	0	108.2	V22	A20-V22 VanDerWaalsContact C-N 3.32Å; A20-V22 WeakPolarHBondContact O-CG2 3.29Å; A20-V22 PolarHBondContact O-N 3.1Å
21	A	49.1	Very low	60	Low	102 Å²	102	83.7 Å²	83.7	84%	0.843	47%	0.469	S	S	*	.			trans	-53.7	97.5	173.3	0	0	0	0	0	109	C23	A21-C23 VanDerWaalsContact C-N 3.35Å; A21-C23 PolarHBondContact O-N 3.47Å
22	V	52.1	Low	60.9	Low	77 Å²	77	83.2 Å²	83.2	47%	0.467	46%	0.461	S	S	.	.			trans	-67.1	101.8	177.4	-179.8	0	0	0	0	105.2	A20 I24	A20-V22 VanDerWaalsContact C-N 3.32Å; A20-V22 WeakPolarHBondContact O-CG2 3.29Å; A20-V22 PolarHBondContact O-N 3.1Å; V22-I24 VanDerWaalsContact C-N 3.29Å; V22-I24 HydrophobicContact CG1-CG1 3.87Å; V22-I24 PolarHBondContact O-N 3.39Å
23	C	62.8	Low	62	Low	120 Å²	120	81.2 Å²	81.2	81%	0.811	45%	0.451	S	S	*	.			trans	-73.7	91.2	174.7	-158.3	0	0	0	0	106.9	A21 P25	A21-C23 VanDerWaalsContact C-N 3.35Å; A21-C23 PolarHBondContact O-N 3.47Å; C23-P25 WeakPolarHBondContact O-CD 3.45Å
24	I	67.7	Low	63.2	Low	20 Å²	20	80 Å²	80	10%	0.103	45%	0.449	C	S	.	.			trans	-73.9	118.6	177.8	-55.7	172.3	0	0	0	107.3	V22 F26 L29 M55 I61	V22-I24 VanDerWaalsContact C-N 3.29Å; V22-I24 HydrophobicContact CG1-CG1 3.87Å; V22-I24 PolarHBondContact O-N 3.39Å; I24-F26 VanDerWaalsContact C-N 3.27Å; I24-F26 HydrophobicContact CB-CD1 4.38Å; I24-F26 HydrophobicContact CB-CE1 3.89Å; I24-F26 HydrophobicContact CB-CE2 4.19Å; I24-F26 HydrophobicContact CB-CZ 3.79Å; I24-F26 HydrophobicContact CD1-CE1 4.31Å; I24-F26 HydrophobicContact CD1-CZ 3.97Å; I24-F26 HydrophobicContact CG1-CZ 4.47Å; I24-F26 HydrophobicContact CG2-CD1 3.68Å; I24-F26 HydrophobicContact CG2-CE1 3.35Å; I24-F26 HydrophobicContact CG2-CE2 4.49Å; I24-F26 HydrophobicContact CG2-CG 4.35Å; I24-F26 HydrophobicContact CG2-CZ 3.82Å; I24-F26 PolarHBondContact O-N 3.15Å; I24-L29 HydrophobicContact CG2-CD1 3.89Å; I24-M55 HydrophobicContact CD1-SD 4.36Å; I24-M55 HydrophobicContact CG2-SD 4.23Å; I24-I61 HydrophobicContact CD1-CD1 4.33Å; I24-I61 HydrophobicContact CD1-CG1 4.47Å; I24-I61 HydrophobicContact CD1-CG2 3.78Å
25	P	76.8	Confident	63.8	Low	42 Å²	42	80.5 Å²	80.5	27%	0.273	45%	0.449	S	S	.	.			trans	-81.6	71.8	-175.6	33.8	-34.9	0	0	0	110.6	C23 E27 R28 L29	C23-P25 WeakPolarHBondContact O-CD 3.45Å; P25-E27 VanDerWaalsContact C-N 3.34Å; P25-E27 PolarHBondContact O-N 3.3Å; P25-R28 HydrophobicContact CB-CB 4.01Å; P25-R28 WeakPolarHBondContact O-CB 3.38Å; P25-R28 PolarHBondContact O-N 3.21Å; P25-L29 PolarHBondContact O-N 2.67Å
26	F	80.8	Confident	64.4	Low	17 Å²	17	83.2 Å²	83.2	8%	0.075	45%	0.449	C	S	.	.	H	α-helix	trans	-56.9	-41.8	-175.2	-64.9	-56.4	0	0	0	113.6	I24 R28 L29 A30 I61 L64 G66 F67 L70	I24-F26 VanDerWaalsContact C-N 3.27Å; I24-F26 HydrophobicContact CB-CD1 4.38Å; I24-F26 HydrophobicContact CB-CE1 3.89Å; I24-F26 HydrophobicContact CB-CE2 4.19Å; I24-F26 HydrophobicContact CB-CZ 3.79Å; I24-F26 HydrophobicContact CD1-CE1 4.31Å; I24-F26 HydrophobicContact CD1-CZ 3.97Å; I24-F26 HydrophobicContact CG1-CZ 4.47Å; I24-F26 HydrophobicContact CG2-CD1 3.68Å; I24-F26 HydrophobicContact CG2-CE1 3.35Å; I24-F26 HydrophobicContact CG2-CE2 4.49Å; I24-F26 HydrophobicContact CG2-CG 4.35Å; I24-F26 HydrophobicContact CG2-CZ 3.82Å; I24-F26 PolarHBondContact O-N 3.15Å; F26-R28 PolarHBondContact O-N 3Å; F26-L29 HydrophobicContact CD1-CD1 4.34Å; F26-L29 PolarHBondContact O-N 2.71Å; F26-A30 WeakPolarHBondContact O-CB 3.45Å; F26-A30 PolarHBondContact O-N 3.21Å; F26-I61 HydrophobicContact CZ-CG2 4.13Å; F26-L64 HydrophobicContact CE2-CB 4.03Å; F26-L64 HydrophobicContact CE2-CD1 4.43Å; F26-L64 HydrophobicContact CZ-CB 4.39Å; F26-L64 HydrophobicContact CZ-CD1 4.38Å; F26-G66 WeakPolarHBondContact CB-O 3.46Å; F26-F67 HydrophobicContact CD1-CD2 4.05Å; F26-F67 HydrophobicContact CE1-CB 4.28Å; F26-F67 AromaticContact CE1-CD2 3.32Å; F26-F67 HydrophobicContact CE1-CD2 3.32Å; F26-F67 AromaticContact CE1-CE2 4Å; F26-F67 HydrophobicContact CE1-CE2 4Å; F26-F67 HydrophobicContact CE1-CG 4.21Å; F26-F67 HydrophobicContact CE2-CB 4.42Å; F26-F67 HydrophobicContact CZ-CB 4.19Å; F26-F67 AromaticContact CZ-CD2 3.69Å; F26-F67 HydrophobicContact CZ-CD2 3.69Å; F26-F67 HydrophobicContact CZ-CG 4.44Å; F26-L70 HydrophobicContact CD1-CD1 4.21Å
27	E	78.8	Confident	65.2	Low	142 Å²	142	81.4 Å²	81.4	66%	0.664	44%	0.439	S	S	*	.	H	α-helix	trans	-56.3	-41.2	175.1	-72.5	179	-179.5	0	0	112	P25 A30 Q31 L69	P25-E27 VanDerWaalsContact C-N 3.34Å; P25-E27 PolarHBondContact O-N 3.3Å; E27-A30 PolarHBondContact O-N 2.95Å; E27-Q31 WeakPolarHBondContact O-CG 3.28Å; E27-Q31 PolarHBondContact O-N 3.36Å; E27-L69 HydrophobicContact CG-CD1 3.67Å
28	R	76.7	Confident	65.9	Low	87 Å²	87	81.8 Å²	81.8	33%	0.328	45%	0.449	S	S	.	.	H	α-helix	trans	-71.3	-42.4	-179.8	-151.2	-179.6	-176.8	164.3	-0.2	110.4	D2 D4 P25 F26 A30 Q31 Y32	D2-R28 IonicContact OD2-CZ 3.5Å; D2-R28 IonicContact OD2-NE 2.64Å; D2-R28 IonicContact OD2-NH2 3.58Å; D2-R28 PolarHBondContact OD2-NH2 3.47Å; D4-R28 IonicContact OD2-NH1 3.5Å; P25-R28 HydrophobicContact CB-CB 4.01Å; P25-R28 WeakPolarHBondContact O-CB 3.38Å; P25-R28 PolarHBondContact O-N 3.21Å; F26-R28 PolarHBondContact O-N 3Å; R28-A30 VanDerWaalsContact C-N 3.33Å; R28-A30 PolarHBondContact O-N 3.12Å; R28-Q31 WeakPolarHBondContact O-CB 3.21Å; R28-Q31 PolarHBondContact O-N 2.99Å; R28-Y32 HydrophobicContact CG-CE2 4Å; R28-Y32 WeakPolarHBondContact O-CD2 3.38Å; R28-Y32 PolarHBondContact O-N 3.35Å; R28-Y32 VanDerWaalsContact O-N 3.1Å
29	L	79.9	Confident	67.1	Low	4 Å²	4	77.7 Å²	77.7	2%	0.021	43%	0.432	C	S	.	.	H	α-helix	trans	-59.3	-43.4	173.6	-69.7	171.2	0	0	0	111.5	I5 I24 P25 F26 Q31 Y32 L33 L48 M55 L70	I5-L29 HydrophobicContact CG2-CD2 4.38Å; I24-L29 HydrophobicContact CG2-CD1 3.89Å; P25-L29 PolarHBondContact O-N 2.67Å; F26-L29 HydrophobicContact CD1-CD1 4.34Å; F26-L29 PolarHBondContact O-N 2.71Å; L29-Q31 VanDerWaalsContact C-N 3.34Å; L29-Q31 PolarHBondContact O-N 2.93Å; L29-Y32 PolarHBondContact O-N 2.82Å; L29-Y32 VanDerWaalsContact O-N 3.15Å; L29-L33 WeakPolarHBondContact O-CG 3.43Å; L29-L33 PolarHBondContact O-N 3.02Å; L29-L33 VanDerWaalsContact O-N 3.11Å; L29-L48 HydrophobicContact CD2-CD1 3.74Å; L29-M55 HydrophobicContact CD1-CE 4.35Å; L29-L70 HydrophobicContact CB-CD2 3.66Å
30	A	81.4	Confident	68.3	Low	9 Å²	9	70.3 Å²	70.3	7%	0.074	39%	0.393	C	S	.	.	H	α-helix	trans	-59.4	-43.6	175.3	0	0	0	0	0	111.7	F26 E27 R28 Y32 L33 L34 L69 L70	F26-A30 WeakPolarHBondContact O-CB 3.45Å; F26-A30 PolarHBondContact O-N 3.21Å; E27-A30 PolarHBondContact O-N 2.95Å; R28-A30 VanDerWaalsContact C-N 3.33Å; R28-A30 PolarHBondContact O-N 3.12Å; A30-Y32 VanDerWaalsContact C-N 3.32Å; A30-Y32 PolarHBondContact O-N 3.1Å; A30-L33 PolarHBondContact O-N 3.38Å; A30-L34 WeakPolarHBondContact O-CG 3.44Å; A30-L34 PolarHBondContact O-N 3.39Å; A30-L69 HydrophobicContact CB-CB 4.3Å; A30-L69 VanDerWaalsContact CB-O 3.3Å; A30-L69 WeakPolarHBondContact CB-O 3.42Å; A30-L70 HydrophobicContact CB-CD2 4.17Å
31	Q	78.9	Confident	69.6	Low	123 Å²	123	71.5 Å²	71.5	58%	0.575	40%	0.395	S	S	*	.	H	α-helix	trans	-58.1	-42.8	174.2	-72	169.8	4	0	0	112	E27 R28 L29 L33 L34 L35	E27-Q31 WeakPolarHBondContact O-CG 3.28Å; E27-Q31 PolarHBondContact O-N 3.36Å; R28-Q31 WeakPolarHBondContact O-CB 3.21Å; R28-Q31 PolarHBondContact O-N 2.99Å; L29-Q31 VanDerWaalsContact C-N 3.34Å; L29-Q31 PolarHBondContact O-N 2.93Å; Q31-L33 VanDerWaalsContact C-N 3.32Å; Q31-L33 PolarHBondContact O-N 3.33Å; Q31-L34 PolarHBondContact O-N 3.24Å; Q31-L35 WeakPolarHBondContact O-CG 3.32Å; Q31-L35 PolarHBondContact O-N 3.4Å
32	Y	75.9	Confident	70.5	Confident	37 Å²	37	71.9 Å²	71.9	15%	0.145	38%	0.382	C	S	.	.	H	α-helix	trans	-65.6	-31.4	177.5	-79	-75.2	0	0	0	113.8	D2 I5 R28 L29 A30 L34 L35 L40	D2-Y32 PolarHBondContact OD2-OH 3.09Å; I5-Y32 HydrophobicContact CD1-CD2 3.5Å; I5-Y32 HydrophobicContact CD1-CE1 4.33Å; I5-Y32 HydrophobicContact CD1-CE2 2.99Å; I5-Y32 HydrophobicContact CD1-CG 4.38Å; I5-Y32 VanDerWaalsContact CD1-CZ 3.45Å; I5-Y32 HydrophobicContact CG1-CE2 4.35Å; R28-Y32 HydrophobicContact CG-CE2 4Å; R28-Y32 WeakPolarHBondContact O-CD2 3.38Å; R28-Y32 PolarHBondContact O-N 3.35Å; R28-Y32 VanDerWaalsContact O-N 3.1Å; L29-Y32 PolarHBondContact O-N 2.82Å; L29-Y32 VanDerWaalsContact O-N 3.15Å; A30-Y32 VanDerWaalsContact C-N 3.32Å; A30-Y32 PolarHBondContact O-N 3.1Å; Y32-L34 VanDerWaalsContact C-N 3.32Å; Y32-L35 HydrophobicContact CD1-CD1 3.53Å; Y32-L35 HydrophobicContact CE1-CD1 4.05Å; Y32-L35 HydrophobicContact CG-CD1 4.33Å; Y32-L35 WeakPolarHBondContact O-CB 3.2Å; Y32-L40 HydrophobicContact CD1-CD1 4.35Å
33	L	77.1	Confident	71.3	Confident	3 Å²	3	74.2 Å²	74.2	2%	0.016	39%	0.392	C	S	.	.	H	α-helix	trans	-71.3	-29.2	175.6	-67.2	170.2	0	0	0	112.3	L29 A30 Q31 L35 L48 I52 L70 L74 L77	L29-L33 WeakPolarHBondContact O-CG 3.43Å; L29-L33 PolarHBondContact O-N 3.02Å; L29-L33 VanDerWaalsContact O-N 3.11Å; A30-L33 PolarHBondContact O-N 3.38Å; Q31-L33 VanDerWaalsContact C-N 3.32Å; Q31-L33 PolarHBondContact O-N 3.33Å; L33-L35 VanDerWaalsContact C-N 3.35Å; L33-L48 HydrophobicContact CD2-CD2 3.8Å; L33-L48 HydrophobicContact CD2-CG 4.42Å; L33-L48 HydrophobicContact CG-CD2 4.25Å; L33-I52 HydrophobicContact CD1-CD1 3.82Å; L33-I52 HydrophobicContact CD2-CD1 3.99Å; L33-I52 HydrophobicContact CG-CD1 4.26Å; L33-L70 HydrophobicContact CD1-CB 4.29Å; L33-L70 HydrophobicContact CD1-CD2 4.06Å; L33-L74 HydrophobicContact CD1-CD2 4.12Å; L33-L74 HydrophobicContact CD1-CG 3.96Å; L33-L74 HydrophobicContact CD2-CD2 4.25Å; L33-L77 HydrophobicContact CD2-CD1 3.67Å
34	L	76.3	Confident	71.6	Confident	98 Å²	98	71.7 Å²	71.7	51%	0.513	37%	0.37	S	S	.	.	H	α-helix	trans	-83.8	-8.4	179	-67.3	170.1	0	0	0	113.8	A30 Q31 Y32	A30-L34 WeakPolarHBondContact O-CG 3.44Å; A30-L34 PolarHBondContact O-N 3.39Å; Q31-L34 PolarHBondContact O-N 3.24Å; Y32-L34 VanDerWaalsContact C-N 3.32Å
35	L	69	Low	71.9	Confident	73 Å²	73	71.4 Å²	71.4	38%	0.382	37%	0.368	S	S	.	.	S	Bend	trans	-66.3	137.1	177.4	-77.3	178	0	0	0	111.6	Q31 Y32 L33 S39 R45	Q31-L35 WeakPolarHBondContact O-CG 3.32Å; Q31-L35 PolarHBondContact O-N 3.4Å; Y32-L35 HydrophobicContact CD1-CD1 3.53Å; Y32-L35 HydrophobicContact CE1-CD1 4.05Å; Y32-L35 HydrophobicContact CG-CD1 4.33Å; Y32-L35 WeakPolarHBondContact O-CB 3.2Å; L33-L35 VanDerWaalsContact C-N 3.35Å; L35-S39 WeakPolarHBondContact CB-OG 3.41Å; L35-R45 PolarHBondContact O-NH2 3.16Å
36	D	62.4	Low	71.9	Confident	118 Å²	118	71.2 Å²	71.2	63%	0.631	36%	0.364	S	S	*	.			trans	-62.6	157.3	-173.6	-149.2	-14.9	0	0	0	113.1	D38 S39 R45	D36-D38 PolarHBondContact O-N 2.95Å; D36-D38 VanDerWaalsContact O-N 3.1Å; D36-S39 PolarHBondContact N-OG 3.36Å; D36-S39 PolarHBondContact O-N 3.02Å; D36-S39 PolarHBondContact O-OG 3.11Å; D36-R45 PolarHBondContact O-NH2 2.84Å; D36-R45 VanDerWaalsContact O-NH2 3.16Å
37	K	58.1	Low	71.7	Confident	109 Å²	109	73.1 Å²	73.1	47%	0.474	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-34.5	-175.4	-83.9	-178	-178.9	173.6	0	113.4	S39 L80	K37-S39 VanDerWaalsContact C-N 3.28Å; K37-S39 PolarHBondContact O-N 3.47Å; K37-L80 PolarHBondContact NZ-O 3.13Å
38	D	58.8	Low	71.8	Confident	164 Å²	164	66.6 Å²	66.6	88%	0.877	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-15.1	-178.7	-65	-29.7	0	0	0	113.8	D36	D36-D38 PolarHBondContact O-N 2.95Å; D36-D38 VanDerWaalsContact O-N 3.1Å
39	S	64.7	Low	72	Confident	64 Å²	64	62.4 Å²	62.4	45%	0.448	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-19.8	-172.3	66.1	0	0	0	0	114.4	L35 D36 K37	L35-S39 WeakPolarHBondContact CB-OG 3.41Å; D36-S39 PolarHBondContact N-OG 3.36Å; D36-S39 PolarHBondContact O-N 3.02Å; D36-S39 PolarHBondContact O-OG 3.11Å; K37-S39 VanDerWaalsContact C-N 3.28Å; K37-S39 PolarHBondContact O-N 3.47Å
40	L	65.6	Low	72.1	Confident	12 Å²	12	66.3 Å²	66.3	6%	0.063	35%	0.352	C	S	.	.	S	Bend	trans	-131.2	116.1	178.1	-156	83	0	0	0	110.7	M1 Y32 I42 L44 R45	M1-L40 HydrophobicContact CE-CD1 4.48Å; Y32-L40 HydrophobicContact CD1-CD1 4.35Å; L40-I42 PolarHBondContact O-N 2.83Å; L40-L44 HydrophobicContact CG-CB 4.33Å; L40-R45 HydrophobicContact CD2-CB 3.94Å; L40-R45 HydrophobicContact CD2-CG 4.26Å
41	P	69	Low	72.1	Confident	80 Å²	80	66 Å²	66	52%	0.519	35%	0.348	S	S	.	.			trans	-55.5	139.1	177.4	-24.1	32.6	0	0	0	111.9	N43 L44 R45	P41-N43 PolarHBondContact O-N 2.75Å; P41-N43 VanDerWaalsContact O-N 3.13Å; P41-L44 HydrophobicContact CB-CD1 4.11Å; P41-L44 HydrophobicContact CG-CD1 3.82Å; P41-L44 WeakPolarHBondContact O-CB 3.35Å; P41-L44 PolarHBondContact O-N 3.18Å; P41-R45 PolarHBondContact O-N 3.11Å; P41-R45 VanDerWaalsContact O-N 3.09Å
42	I	68.3	Low	72.4	Confident	110 Å²	110	60.1 Å²	60.1	56%	0.564	32%	0.321	S	S	*	.	H	α-helix	trans	-49.8	-43.1	-177.6	-79.6	166	0	0	0	112.6	L40 L44 R45 L46	L40-I42 PolarHBondContact O-N 2.83Å; I42-L44 VanDerWaalsContact C-N 3.3Å; I42-L44 PolarHBondContact O-N 3.17Å; I42-R45 WeakPolarHBondContact O-CB 3.21Å; I42-R45 PolarHBondContact O-N 3.42Å; I42-R45 VanDerWaalsContact O-N 3.1Å; I42-L46 HydrophobicContact CG2-CD1 3.88Å; I42-L46 HydrophobicContact CG2-CG 4.32Å; I42-L46 WeakPolarHBondContact O-CG 3.34Å; I42-L46 PolarHBondContact O-N 3.41Å
43	N	69.6	Low	72.8	Confident	127 Å²	127	58.9 Å²	58.9	68%	0.679	32%	0.318	S	S	*	.	H	α-helix	trans	-61	-38.2	179.9	-64.4	-12.7	0	0	0	113	P41 S47	P41-N43 PolarHBondContact O-N 2.75Å; P41-N43 VanDerWaalsContact O-N 3.13Å; N43-S47 WeakPolarHBondContact O-CB 3.42Å; N43-S47 PolarHBondContact O-N 3.1Å; N43-S47 PolarHBondContact O-OG 2.64Å
44	L	68.8	Low	73.1	Confident	66 Å²	66	63.2 Å²	63.2	35%	0.346	34%	0.342	S	S	.	.	H	α-helix	trans	-71.1	-36.8	176.4	-86.6	146.1	0	0	0	111	M1 L40 P41 I42 S47 L48	M1-L44 HydrophobicContact CE-CB 4.16Å; M1-L44 HydrophobicContact CE-CD2 3.43Å; M1-L44 VanDerWaalsContact CE-CD2 3.43Å; M1-L44 HydrophobicContact CE-CG 4.42Å; M1-L44 HydrophobicContact CG-CD2 4.18Å; M1-L44 HydrophobicContact SD-CD2 3.37Å; M1-L44 WeakPolarHBondContact SD-CD2 3.36Å; L40-L44 HydrophobicContact CG-CB 4.33Å; P41-L44 HydrophobicContact CB-CD1 4.11Å; P41-L44 HydrophobicContact CG-CD1 3.82Å; P41-L44 WeakPolarHBondContact O-CB 3.35Å; P41-L44 PolarHBondContact O-N 3.18Å; I42-L44 VanDerWaalsContact C-N 3.3Å; I42-L44 PolarHBondContact O-N 3.17Å; L44-S47 PolarHBondContact O-N 3.07Å; L44-L48 WeakPolarHBondContact O-CB 3.3Å; L44-L48 PolarHBondContact O-N 3.13Å
45	R	73.5	Confident	73.4	Confident	15 Å²	15	58.7 Å²	58.7	6%	0.057	32%	0.318	C	S	.	.	H	α-helix	trans	-65.9	-44.9	175.7	-163.5	174.4	-79	179.3	-2.8	111.8	L35 D36 L40 P41 I42 L48 I49 L77	L35-R45 PolarHBondContact O-NH2 3.16Å; D36-R45 PolarHBondContact O-NH2 2.84Å; D36-R45 VanDerWaalsContact O-NH2 3.16Å; L40-R45 HydrophobicContact CD2-CB 3.94Å; L40-R45 HydrophobicContact CD2-CG 4.26Å; P41-R45 PolarHBondContact O-N 3.11Å; P41-R45 VanDerWaalsContact O-N 3.09Å; I42-R45 WeakPolarHBondContact O-CB 3.21Å; I42-R45 PolarHBondContact O-N 3.42Å; I42-R45 VanDerWaalsContact O-N 3.1Å; R45-L48 WeakPolarHBondContact O-CB 3.5Å; R45-L48 PolarHBondContact O-N 2.96Å; R45-I49 HydrophobicContact CG-CD1 4.37Å; R45-I49 VanDerWaalsContact O-CG1 3.3Å; R45-I49 WeakPolarHBondContact O-CG1 3.44Å; R45-I49 PolarHBondContact O-N 3.21Å; R45-L77 HydrophobicContact CG-CD1 4.36Å
46	L	76.5	Confident	74.1	Confident	38 Å²	38	55.2 Å²	55.2	20%	0.199	30%	0.3	C	S	.	.	H	α-helix	trans	-60.8	-45.7	174.6	-72.2	170.9	0	0	0	111.4	I42 L48 I49 E50 I88 L91	I42-L46 HydrophobicContact CG2-CD1 3.88Å; I42-L46 HydrophobicContact CG2-CG 4.32Å; I42-L46 WeakPolarHBondContact O-CG 3.34Å; I42-L46 PolarHBondContact O-N 3.41Å; L46-L48 PolarHBondContact O-N 3.41Å; L46-I49 PolarHBondContact O-N 3.08Å; L46-I49 VanDerWaalsContact O-N 3.15Å; L46-E50 WeakPolarHBondContact O-CG 3.5Å; L46-E50 PolarHBondContact O-N 3.15Å; L46-I88 HydrophobicContact CD2-CG1 4.12Å; L46-L91 HydrophobicContact CD2-CD1 4.34Å
47	S	76.4	Confident	75.1	Confident	57 Å²	57	55.1 Å²	55.1	40%	0.399	29%	0.294	S	S	.	.	H	α-helix	trans	-60.1	-35.3	176.2	-59.6	0	0	0	0	112.5	N43 L44 C51	N43-S47 WeakPolarHBondContact O-CB 3.42Å; N43-S47 PolarHBondContact O-N 3.1Å; N43-S47 PolarHBondContact O-OG 2.64Å; L44-S47 PolarHBondContact O-N 3.07Å; S47-C51 WeakPolarHBondContact O-CB 3.4Å; S47-C51 PolarHBondContact O-N 3.12Å; S47-C51 VanDerWaalsContact O-N 3.13Å
48	L	80.2	Confident	76.1	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-68.4	-46.5	175.1	-175.9	68	0	0	0	111.2	L29 L33 L44 R45 L46 C51 I52	L29-L48 HydrophobicContact CD2-CD1 3.74Å; L33-L48 HydrophobicContact CD2-CD2 3.8Å; L33-L48 HydrophobicContact CD2-CG 4.42Å; L33-L48 HydrophobicContact CG-CD2 4.25Å; L44-L48 WeakPolarHBondContact O-CB 3.3Å; L44-L48 PolarHBondContact O-N 3.13Å; R45-L48 WeakPolarHBondContact O-CB 3.5Å; R45-L48 PolarHBondContact O-N 2.96Å; L46-L48 PolarHBondContact O-N 3.41Å; L48-C51 WeakPolarHBondContact O-CB 3.28Å; L48-C51 PolarHBondContact O-N 2.94Å; L48-I52 HydrophobicContact CG-CD1 4.13Å; L48-I52 WeakPolarHBondContact O-CG1 3.42Å; L48-I52 PolarHBondContact O-N 3.32Å
49	I	82.2	Confident	76.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-46.7	177.3	-64.6	163.5	0	0	0	110.4	R45 L46 C51 I52 A53 L77 I88 L91 V92	R45-I49 HydrophobicContact CG-CD1 4.37Å; R45-I49 VanDerWaalsContact O-CG1 3.3Å; R45-I49 WeakPolarHBondContact O-CG1 3.44Å; R45-I49 PolarHBondContact O-N 3.21Å; L46-I49 PolarHBondContact O-N 3.08Å; L46-I49 VanDerWaalsContact O-N 3.15Å; I49-C51 VanDerWaalsContact C-N 3.25Å; I49-C51 PolarHBondContact O-N 3.44Å; I49-I52 CarbonylContact O-C 3.52Å; I49-I52 PolarHBondContact O-N 3.18Å; I49-I52 VanDerWaalsContact O-N 3.12Å; I49-A53 WeakPolarHBondContact O-CB 3.42Å; I49-A53 PolarHBondContact O-N 2.87Å; I49-L77 HydrophobicContact CD1-CD1 4.04Å; I49-L77 HydrophobicContact CG1-CD1 4.24Å; I49-I88 HydrophobicContact CD1-CG2 4.32Å; I49-L91 HydrophobicContact CG2-CB 3.69Å; I49-L91 HydrophobicContact CG2-CD1 4.34Å; I49-V92 HydrophobicContact CD1-CG2 4.17Å; I49-V92 HydrophobicContact CG1-CG2 4.41Å; I49-V92 HydrophobicContact CG2-CG2 3.76Å
50	E	82.6	Confident	77.4	Confident	86 Å²	86	51.3 Å²	51.3	40%	0.402	29%	0.286	S	S	.	.	H	α-helix	trans	-57.8	-39.5	175.4	-74.1	176.6	-177.6	0	0	112	L46 A53 N54 L91	L46-E50 WeakPolarHBondContact O-CG 3.5Å; L46-E50 PolarHBondContact O-N 3.15Å; E50-A53 PolarHBondContact O-N 3.28Å; E50-N54 PolarHBondContact O-N 3.2Å; E50-N54 PolarHBondContact O-ND2 2.84Å; E50-L91 HydrophobicContact CG-CD1 4.35Å
51	C	81.5	Confident	78.1	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.007	29%	0.288	C	S	.	.	H	α-helix	trans	-66.6	-41.8	176.6	-166.8	0	0	0	0	111.9	V9 S47 L48 I49 A53 N54 M55	V9-C51 HydrophobicContact CG1-CB 4.45Å; V9-C51 HydrophobicContact CG2-CB 4.28Å; S47-C51 WeakPolarHBondContact O-CB 3.4Å; S47-C51 PolarHBondContact O-N 3.12Å; S47-C51 VanDerWaalsContact O-N 3.13Å; L48-C51 WeakPolarHBondContact O-CB 3.28Å; L48-C51 PolarHBondContact O-N 2.94Å; I49-C51 VanDerWaalsContact C-N 3.25Å; I49-C51 PolarHBondContact O-N 3.44Å; C51-A53 VanDerWaalsContact C-N 3.32Å; C51-N54 PolarHBondContact O-N 3.13Å; C51-M55 HydrophobicContact CB-CE 4.4Å; C51-M55 WeakPolarHBondContact O-CG 3.46Å; C51-M55 PolarHBondContact O-N 3.06Å; C51-M55 VanDerWaalsContact O-N 3.15Å; C51-M55 VanDerWaalsContact SG-CE 3.53Å
52	I	85.2	Confident	78.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.2	-38.5	176	-65.6	167.6	0	0	0	110.3	L33 L48 I49 N54 M55 A56 F67 L70 L74 V95	L33-I52 HydrophobicContact CD1-CD1 3.82Å; L33-I52 HydrophobicContact CD2-CD1 3.99Å; L33-I52 HydrophobicContact CG-CD1 4.26Å; L48-I52 HydrophobicContact CG-CD1 4.13Å; L48-I52 WeakPolarHBondContact O-CG1 3.42Å; L48-I52 PolarHBondContact O-N 3.32Å; I49-I52 CarbonylContact O-C 3.52Å; I49-I52 PolarHBondContact O-N 3.18Å; I49-I52 VanDerWaalsContact O-N 3.12Å; I52-N54 PolarHBondContact O-N 3Å; I52-M55 HydrophobicContact CG1-CE 4.46Å; I52-M55 CarbonylContact O-C 3.59Å; I52-M55 WeakPolarHBondContact O-CB 3.46Å; I52-M55 PolarHBondContact O-N 3.49Å; I52-M55 VanDerWaalsContact O-N 3.08Å; I52-A56 PolarHBondContact O-N 2.97Å; I52-F67 HydrophobicContact CG2-CZ 4.14Å; I52-L70 HydrophobicContact CD1-CD1 4.49Å; I52-L70 HydrophobicContact CG1-CD1 4.42Å; I52-L70 HydrophobicContact CG2-CD1 3.94Å; I52-L74 HydrophobicContact CD1-CD2 4.34Å; I52-L74 HydrophobicContact CG2-CD1 4.16Å; I52-V95 HydrophobicContact CG2-CG1 3.92Å
53	A	84.1	Confident	79.2	Confident	11 Å²	11	44.8 Å²	44.8	9%	0.091	26%	0.257	C	S	.	.	H	α-helix	trans	-58.9	-49	175.3	0	0	0	0	0	111.2	I49 E50 C51 M55 A56 F57 V95	I49-A53 WeakPolarHBondContact O-CB 3.42Å; I49-A53 PolarHBondContact O-N 2.87Å; E50-A53 PolarHBondContact O-N 3.28Å; C51-A53 VanDerWaalsContact C-N 3.32Å; A53-M55 PolarHBondContact O-N 3.37Å; A53-A56 PolarHBondContact O-N 3.4Å; A53-A56 VanDerWaalsContact O-N 3.09Å; A53-F57 WeakPolarHBondContact O-CD2 3.42Å; A53-F57 PolarHBondContact O-N 3.18Å; A53-F57 VanDerWaalsContact O-N 3.12Å; A53-V95 VanDerWaalsContact CA-CG2 3.49Å; A53-V95 HydrophobicContact CB-CG2 3.63Å
54	N	81.8	Confident	79.7	Confident	95 Å²	95	42.3 Å²	42.3	51%	0.508	24%	0.244	S	C	.	.	H	α-helix	trans	-59.1	-32.6	175	-69	-29.9	0	0	0	113.2	E50 C51 I52	E50-N54 PolarHBondContact O-N 3.2Å; E50-N54 PolarHBondContact O-ND2 2.84Å; C51-N54 PolarHBondContact O-N 3.13Å; I52-N54 PolarHBondContact O-N 3Å
55	M	83.4	Confident	80.3	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-72.7	-40.9	174.3	-69.3	-176.1	-119.6	0	0	112.5	I12 I24 L29 C51 I52 A53 F57 N58 I61 F67	I12-M55 HydrophobicContact CD1-CE 3.54Å; I12-M55 HydrophobicContact CD1-CG 3.89Å; I12-M55 HydrophobicContact CD1-SD 3.63Å; I12-M55 HydrophobicContact CG2-CG 4.31Å; I24-M55 HydrophobicContact CD1-SD 4.36Å; I24-M55 HydrophobicContact CG2-SD 4.23Å; L29-M55 HydrophobicContact CD1-CE 4.35Å; C51-M55 HydrophobicContact CB-CE 4.4Å; C51-M55 WeakPolarHBondContact O-CG 3.46Å; C51-M55 PolarHBondContact O-N 3.06Å; C51-M55 VanDerWaalsContact O-N 3.15Å; C51-M55 VanDerWaalsContact SG-CE 3.53Å; I52-M55 HydrophobicContact CG1-CE 4.46Å; I52-M55 CarbonylContact O-C 3.59Å; I52-M55 WeakPolarHBondContact O-CB 3.46Å; I52-M55 PolarHBondContact O-N 3.49Å; I52-M55 VanDerWaalsContact O-N 3.08Å; A53-M55 PolarHBondContact O-N 3.37Å; M55-F57 VanDerWaalsContact C-N 3.32Å; M55-F57 PolarHBondContact O-N 3.43Å; M55-N58 WeakPolarHBondContact O-CB 3.34Å; M55-N58 PolarHBondContact O-N 3.24Å; M55-I61 HydrophobicContact CB-CD1 4.41Å; M55-I61 HydrophobicContact CB-CG2 4.01Å; M55-I61 HydrophobicContact CG-CD1 4.23Å; M55-I61 HydrophobicContact CG-CG2 4.4Å; M55-F67 HydrophobicContact CB-CE2 3.76Å; M55-F67 HydrophobicContact CB-CZ 4.21Å
56	A	84.1	Confident	80.7	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.4	-37.2	-178.4	0	0	0	0	0	112	I52 A53 N58 I62 F67 V95 Q98	I52-A56 PolarHBondContact O-N 2.97Å; A53-A56 PolarHBondContact O-N 3.4Å; A53-A56 VanDerWaalsContact O-N 3.09Å; A56-N58 PolarHBondContact O-N 2.89Å; A56-I62 HydrophobicContact CB-CD1 4.16Å; A56-I62 VanDerWaalsContact O-CD1 3.23Å; A56-I62 WeakPolarHBondContact O-CD1 3.39Å; A56-F67 HydrophobicContact CB-CE1 4.2Å; A56-F67 HydrophobicContact CB-CZ 3.93Å; A56-V95 HydrophobicContact CB-CB 4.41Å; A56-V95 HydrophobicContact CB-CG1 3.86Å; A56-V95 HydrophobicContact CB-CG2 4.27Å; A56-Q98 HydrophobicContact CB-CB 4.33Å
57	F	82.5	Confident	81.1	Confident	116 Å²	116	44.7 Å²	44.7	51%	0.509	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	5.7	175	-68	-73.2	0	0	0	114	A53 M55 P94 Q98	A53-F57 WeakPolarHBondContact O-CD2 3.42Å; A53-F57 PolarHBondContact O-N 3.18Å; A53-F57 VanDerWaalsContact O-N 3.12Å; M55-F57 VanDerWaalsContact C-N 3.32Å; M55-F57 PolarHBondContact O-N 3.43Å; F57-P94 HydrophobicContact CE2-CB 4.4Å; F57-P94 HydrophobicContact CZ-CB 3.86Å; F57-Q98 HydrophobicContact CD1-CG 4.06Å; F57-Q98 HydrophobicContact CE1-CG 3.66Å; F57-Q98 HydrophobicContact CZ-CG 4.05Å
58	N	79.2	Confident	81.5	Confident	63 Å²	63	43.5 Å²	43.5	34%	0.337	24%	0.241	S	C	.	.			trans	-101.6	111.1	172.5	-171.5	-24.7	0	0	0	110.3	M55 A56 S60 I61 I62	M55-N58 WeakPolarHBondContact O-CB 3.34Å; M55-N58 PolarHBondContact O-N 3.24Å; A56-N58 PolarHBondContact O-N 2.89Å; N58-S60 PolarHBondContact O-N 2.93Å; N58-S60 VanDerWaalsContact O-N 3.08Å; N58-S60 PolarHBondContact OD1-N 3.15Å; N58-S60 VanDerWaalsContact OD1-N 3.07Å; N58-S60 PolarHBondContact OD1-OG 2.86Å; N58-I61 HydrophobicContact CB-CB 4.38Å; N58-I61 HydrophobicContact CB-CD1 4.06Å; N58-I61 HydrophobicContact CB-CG1 4.2Å; N58-I61 PolarHBondContact O-N 2.83Å; N58-I62 PolarHBondContact O-N 3.02Å; N58-I62 VanDerWaalsContact O-N 3.13Å
59	P	76.7	Confident	81.8	Confident	112 Å²	112	46.6 Å²	46.6	73%	0.727	26%	0.257	S	S	*	.	H	α-helix	trans	-56.8	-29.7	-178	-24.7	32.9	0	0	0	114	I61	P59-I61 VanDerWaalsContact C-N 3.26Å; P59-I61 PolarHBondContact O-N 3.23Å
60	S	75.4	Confident	82	Confident	82 Å²	82	46.6 Å²	46.6	57%	0.573	26%	0.257	S	S	*	.	H	α-helix	trans	-73.1	-17.5	179.8	66	0	0	0	0	113.8	N58	N58-S60 PolarHBondContact O-N 2.93Å; N58-S60 VanDerWaalsContact O-N 3.08Å; N58-S60 PolarHBondContact OD1-N 3.15Å; N58-S60 VanDerWaalsContact OD1-N 3.07Å; N58-S60 PolarHBondContact OD1-OG 2.86Å
61	I	78.8	Confident	82.2	Confident	20 Å²	20	43.3 Å²	43.3	10%	0.103	24%	0.241	C	C	.	.	H	α-helix	trans	-106.5	-43.4	-175.5	-58.2	177.3	0	0	0	111.1	I24 F26 M55 N58 P59 G63 L64 F67	I24-I61 HydrophobicContact CD1-CD1 4.33Å; I24-I61 HydrophobicContact CD1-CG1 4.47Å; I24-I61 HydrophobicContact CD1-CG2 3.78Å; F26-I61 HydrophobicContact CZ-CG2 4.13Å; M55-I61 HydrophobicContact CB-CD1 4.41Å; M55-I61 HydrophobicContact CB-CG2 4.01Å; M55-I61 HydrophobicContact CG-CD1 4.23Å; M55-I61 HydrophobicContact CG-CG2 4.4Å; N58-I61 HydrophobicContact CB-CB 4.38Å; N58-I61 HydrophobicContact CB-CD1 4.06Å; N58-I61 HydrophobicContact CB-CG1 4.2Å; N58-I61 PolarHBondContact O-N 2.83Å; P59-I61 VanDerWaalsContact C-N 3.26Å; P59-I61 PolarHBondContact O-N 3.23Å; I61-G63 VanDerWaalsContact C-N 3.27Å; I61-G63 PolarHBondContact O-N 3.13Å; I61-L64 HydrophobicContact CG2-CD1 4.34Å; I61-L64 WeakPolarHBondContact O-CB 3.48Å; I61-L64 VanDerWaalsContact O-CG 3.28Å; I61-L64 WeakPolarHBondContact O-CG 3.41Å; I61-L64 PolarHBondContact O-N 3.18Å; I61-F67 HydrophobicContact CG2-CD2 4.04Å; I61-F67 HydrophobicContact CG2-CE2 4.08Å
62	I	80.9	Confident	82.4	Confident	6 Å²	6	46.8 Å²	46.8	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-31.4	-171.2	-169	157.8	0	0	0	114	A56 N58 L64 F67 Q98 F102 N103	A56-I62 HydrophobicContact CB-CD1 4.16Å; A56-I62 VanDerWaalsContact O-CD1 3.23Å; A56-I62 WeakPolarHBondContact O-CD1 3.39Å; N58-I62 PolarHBondContact O-N 3.02Å; N58-I62 VanDerWaalsContact O-N 3.13Å; I62-L64 PolarHBondContact O-N 2.96Å; I62-F67 HydrophobicContact CG1-CD1 4.22Å; I62-F67 HydrophobicContact CG1-CE1 4.25Å; I62-Q98 HydrophobicContact CD1-CB 3.48Å; I62-Q98 VanDerWaalsContact CD1-CB 3.48Å; I62-Q98 VanDerWaalsContact CD1-O 3.22Å; I62-Q98 WeakPolarHBondContact CD1-O 3.3Å; I62-F102 HydrophobicContact CD1-CB 4.3Å; I62-F102 HydrophobicContact CG1-CB 4.35Å; I62-F102 HydrophobicContact CG2-CB 3.96Å; I62-N103 PolarHBondContact O-ND2 3.09Å
63	G	79.1	Confident	82.3	Confident	39 Å²	39	46.8 Å²	46.8	40%	0.402	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-2.1	175.7	0	0	0	0	0	114.4	I61	I61-G63 VanDerWaalsContact C-N 3.27Å; I61-G63 PolarHBondContact O-N 3.13Å
64	L	81	Confident	82.4	Confident	76 Å²	76	46.3 Å²	46.3	40%	0.398	26%	0.26	S	S	.	.	S	Bend	trans	-73	136.1	179	-63.5	175.6	0	0	0	110.9	F26 I61 I62 G66 F67 N103	F26-L64 HydrophobicContact CE2-CB 4.03Å; F26-L64 HydrophobicContact CE2-CD1 4.43Å; F26-L64 HydrophobicContact CZ-CB 4.39Å; F26-L64 HydrophobicContact CZ-CD1 4.38Å; I61-L64 HydrophobicContact CG2-CD1 4.34Å; I61-L64 WeakPolarHBondContact O-CB 3.48Å; I61-L64 VanDerWaalsContact O-CG 3.28Å; I61-L64 WeakPolarHBondContact O-CG 3.41Å; I61-L64 PolarHBondContact O-N 3.18Å; I62-L64 PolarHBondContact O-N 2.96Å; L64-G66 PolarHBondContact O-N 3.29Å; L64-F67 WeakPolarHBondContact O-CB 3.41Å; L64-F67 PolarHBondContact O-N 3.19Å; L64-N103 PolarHBondContact O-ND2 3.32Å
65	K	80.7	Confident	82.6	Confident	159 Å²	159	44 Å²	44	69%	0.691	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	131.1	171.9	-171.9	176.1	-179.4	177.1	0	110.3	F105	K65-F105 HydrophobicContact CB-CD2 4.05Å; K65-F105 HydrophobicContact CB-CE1 4.49Å; K65-F105 HydrophobicContact CB-CE2 3.8Å; K65-F105 HydrophobicContact CB-CZ 4.04Å; K65-F105 HydrophobicContact CD-CD1 4.46Å; K65-F105 HydrophobicContact CD-CE1 4.18Å; K65-F105 HydrophobicContact CD-CZ 4.41Å; K65-F105 HydrophobicContact CG-CD1 4.28Å; K65-F105 HydrophobicContact CG-CD2 4.33Å; K65-F105 HydrophobicContact CG-CE1 4.3Å; K65-F105 HydrophobicContact CG-CE2 4.36Å; K65-F105 HydrophobicContact CG-CG 4.29Å; K65-F105 HydrophobicContact CG-CZ 4.34Å
66	G	82.6	Confident	82.5	Confident	9 Å²	9	46.3 Å²	46.3	9%	0.093	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	104.2	-22.5	-173.8	0	0	0	0	0	113.3	F26 L64 E68 L69	F26-G66 WeakPolarHBondContact CB-O 3.46Å; L64-G66 PolarHBondContact O-N 3.29Å; G66-E68 VanDerWaalsContact C-OE2 3.28Å; G66-E68 WeakPolarHBondContact CA-OE1 3.38Å; G66-E68 WeakPolarHBondContact CA-OE2 3.46Å; G66-E68 VanDerWaalsContact N-CD 3.26Å; G66-E68 PolarHBondContact N-OE1 3.12Å; G66-E68 PolarHBondContact N-OE2 3.35Å; G66-E68 PolarHBondContact O-N 2.96Å; G66-L69 WeakPolarHBondContact O-CB 3.27Å; G66-L69 WeakPolarHBondContact O-CG 3.34Å; G66-L69 PolarHBondContact O-N 2.85Å; G66-L69 VanDerWaalsContact O-N 3.11Å
67	F	84.4	Confident	82.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-64.8	-32.1	178.1	-162.5	-83.7	0	0	0	111.8	F26 I52 M55 A56 I61 I62 L64 L69 L70 I99	F26-F67 HydrophobicContact CD1-CD2 4.05Å; F26-F67 HydrophobicContact CE1-CB 4.28Å; F26-F67 AromaticContact CE1-CD2 3.32Å; F26-F67 HydrophobicContact CE1-CD2 3.32Å; F26-F67 AromaticContact CE1-CE2 4Å; F26-F67 HydrophobicContact CE1-CE2 4Å; F26-F67 HydrophobicContact CE1-CG 4.21Å; F26-F67 HydrophobicContact CE2-CB 4.42Å; F26-F67 HydrophobicContact CZ-CB 4.19Å; F26-F67 AromaticContact CZ-CD2 3.69Å; F26-F67 HydrophobicContact CZ-CD2 3.69Å; F26-F67 HydrophobicContact CZ-CG 4.44Å; I52-F67 HydrophobicContact CG2-CZ 4.14Å; M55-F67 HydrophobicContact CB-CE2 3.76Å; M55-F67 HydrophobicContact CB-CZ 4.21Å; A56-F67 HydrophobicContact CB-CE1 4.2Å; A56-F67 HydrophobicContact CB-CZ 3.93Å; I61-F67 HydrophobicContact CG2-CD2 4.04Å; I61-F67 HydrophobicContact CG2-CE2 4.08Å; I62-F67 HydrophobicContact CG1-CD1 4.22Å; I62-F67 HydrophobicContact CG1-CE1 4.25Å; L64-F67 WeakPolarHBondContact O-CB 3.41Å; L64-F67 PolarHBondContact O-N 3.19Å; F67-L69 PolarHBondContact O-N 3.33Å; F67-L70 HydrophobicContact CD1-CD1 4.38Å; F67-L70 HydrophobicContact CD2-CD1 4.1Å; F67-L70 HydrophobicContact CE1-CD1 4.24Å; F67-L70 HydrophobicContact CE2-CD1 3.91Å; F67-L70 HydrophobicContact CG-CD1 4.3Å; F67-L70 HydrophobicContact CZ-CD1 3.98Å; F67-L70 WeakPolarHBondContact O-CB 3.45Å; F67-L70 WeakPolarHBondContact O-CG 3.35Å; F67-L70 PolarHBondContact O-N 3.14Å; F67-L70 VanDerWaalsContact O-N 3.09Å; F67-I99 HydrophobicContact CD1-CD1 4.12Å; F67-I99 HydrophobicContact CD1-CG1 3.78Å; F67-I99 HydrophobicContact CE1-CD1 3.77Å; F67-I99 HydrophobicContact CE1-CG1 3.53Å
68	E	85.2	Confident	82.1	Confident	32 Å²	32	41.5 Å²	41.5	15%	0.15	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-58.1	-26.8	173.9	72.2	-73.4	171.4	0	0	113	G66 L70 F71 F105 V106	G66-E68 VanDerWaalsContact C-OE2 3.28Å; G66-E68 WeakPolarHBondContact CA-OE1 3.38Å; G66-E68 WeakPolarHBondContact CA-OE2 3.46Å; G66-E68 VanDerWaalsContact N-CD 3.26Å; G66-E68 PolarHBondContact N-OE1 3.12Å; G66-E68 PolarHBondContact N-OE2 3.35Å; G66-E68 PolarHBondContact O-N 2.96Å; E68-L70 PolarHBondContact O-N 3.37Å; E68-L70 VanDerWaalsContact O-N 3.13Å; E68-F71 VanDerWaalsContact O-CB 3.26Å; E68-F71 WeakPolarHBondContact O-CB 3.39Å; E68-F71 PolarHBondContact O-N 3.42Å; E68-F105 HydrophobicContact CG-CB 4.02Å; E68-V106 HydrophobicContact CB-CG2 4.03Å
69	L	86.1	Confident	81.9	Confident	70 Å²	70	43.8 Å²	43.8	37%	0.366	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-65.3	-17.1	178.7	-57.5	174.1	0	0	0	112.6	E27 A30 G66 F67 F71 P72	E27-L69 HydrophobicContact CG-CD1 3.67Å; A30-L69 HydrophobicContact CB-CB 4.3Å; A30-L69 VanDerWaalsContact CB-O 3.3Å; A30-L69 WeakPolarHBondContact CB-O 3.42Å; G66-L69 WeakPolarHBondContact O-CB 3.27Å; G66-L69 WeakPolarHBondContact O-CG 3.34Å; G66-L69 PolarHBondContact O-N 2.85Å; G66-L69 VanDerWaalsContact O-N 3.11Å; F67-L69 PolarHBondContact O-N 3.33Å; L69-F71 VanDerWaalsContact C-N 3.31Å; L69-P72 WeakPolarHBondContact O-CD 3.34Å
70	L	86.4	Confident	81.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-75.4	-22.4	175.6	-56.8	178.9	0	0	0	112.1	F26 L29 A30 L33 I52 F67 E68 G73 L74	F26-L70 HydrophobicContact CD1-CD1 4.21Å; L29-L70 HydrophobicContact CB-CD2 3.66Å; A30-L70 HydrophobicContact CB-CD2 4.17Å; L33-L70 HydrophobicContact CD1-CB 4.29Å; L33-L70 HydrophobicContact CD1-CD2 4.06Å; I52-L70 HydrophobicContact CD1-CD1 4.49Å; I52-L70 HydrophobicContact CG1-CD1 4.42Å; I52-L70 HydrophobicContact CG2-CD1 3.94Å; F67-L70 HydrophobicContact CD1-CD1 4.38Å; F67-L70 HydrophobicContact CD2-CD1 4.1Å; F67-L70 HydrophobicContact CE1-CD1 4.24Å; F67-L70 HydrophobicContact CE2-CD1 3.91Å; F67-L70 HydrophobicContact CG-CD1 4.3Å; F67-L70 HydrophobicContact CZ-CD1 3.98Å; F67-L70 WeakPolarHBondContact O-CB 3.45Å; F67-L70 WeakPolarHBondContact O-CG 3.35Å; F67-L70 PolarHBondContact O-N 3.14Å; F67-L70 VanDerWaalsContact O-N 3.09Å; E68-L70 PolarHBondContact O-N 3.37Å; E68-L70 VanDerWaalsContact O-N 3.13Å; L70-G73 PolarHBondContact O-N 2.93Å; L70-L74 HydrophobicContact CB-CD1 4.14Å; L70-L74 WeakPolarHBondContact O-CB 3.28Å; L70-L74 WeakPolarHBondContact O-CG 3.32Å; L70-L74 PolarHBondContact O-N 3.42Å
71	F	88	Confident	81.7	Confident	17 Å²	17	38.5 Å²	38.5	8%	0.075	20%	0.2	C	C	.	.	H	α-helix	trans	-55.4	-51.3	-174.1	-173.6	-78.3	0	0	0	113.1	E68 L69 G73 L74 W75 L96 I99 I100 F108 F136	E68-F71 VanDerWaalsContact O-CB 3.26Å; E68-F71 WeakPolarHBondContact O-CB 3.39Å; E68-F71 PolarHBondContact O-N 3.42Å; L69-F71 VanDerWaalsContact C-N 3.31Å; F71-G73 VanDerWaalsContact C-N 3.32Å; F71-G73 PolarHBondContact O-N 2.83Å; F71-L74 PolarHBondContact O-N 3.4Å; F71-W75 HydrophobicContact CD1-CB 4.36Å; F71-W75 HydrophobicContact CE1-CB 4.1Å; F71-W75 HydrophobicContact CE1-CG 4.29Å; F71-W75 VanDerWaalsContact O-CB 3.28Å; F71-W75 WeakPolarHBondContact O-CB 3.26Å; F71-W75 PolarHBondContact O-N 2.79Å; F71-L96 HydrophobicContact CD2-CD2 3.59Å; F71-L96 HydrophobicContact CE2-CB 4.3Å; F71-L96 HydrophobicContact CE2-CD2 3.71Å; F71-L96 HydrophobicContact CG-CD2 4.05Å; F71-L96 HydrophobicContact CZ-CD2 4.25Å; F71-I99 HydrophobicContact CB-CG2 4.49Å; F71-I99 HydrophobicContact CD2-CG2 4.02Å; F71-I100 HydrophobicContact CE2-CD1 3.87Å; F71-I100 HydrophobicContact CE2-CG1 3.85Å; F71-I100 HydrophobicContact CZ-CD1 4.38Å; F71-F108 HydrophobicContact CD1-CE1 4.43Å; F71-F108 HydrophobicContact CE1-CD1 4.46Å; F71-F108 AromaticContact CE1-CE1 3.63Å; F71-F108 HydrophobicContact CE1-CE1 3.63Å; F71-F108 HydrophobicContact CE1-CZ 4.37Å; F71-F108 HydrophobicContact CE2-CE1 4.28Å; F71-F108 HydrophobicContact CE2-CZ 4.23Å; F71-F108 AromaticContact CZ-CE1 3.53Å; F71-F108 HydrophobicContact CZ-CE1 3.53Å; F71-F108 AromaticContact CZ-CZ 3.89Å; F71-F108 HydrophobicContact CZ-CZ 3.89Å; F71-F136 HydrophobicContact CE2-CE2 4.09Å; F71-F136 HydrophobicContact CZ-CE2 4.11Å; F71-F136 HydrophobicContact CZ-CZ 4.11Å
72	P	84.3	Confident	81.1	Confident	73 Å²	73	40.7 Å²	40.7	47%	0.474	22%	0.216	S	C	.	.	H	α-helix	trans	-63.3	-39.1	-177.3	-21.5	34.6	0	0	0	112.5	L69 N76	L69-P72 WeakPolarHBondContact O-CD 3.34Å; P72-N76 WeakPolarHBondContact O-CB 3.19Å; P72-N76 PolarHBondContact O-N 3.39Å
73	G	83.7	Confident	80.3	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-65	-48.8	177.5	0	0	0	0	0	111.8	L70 F71 N76 L77	L70-G73 PolarHBondContact O-N 2.93Å; F71-G73 VanDerWaalsContact C-N 3.32Å; F71-G73 PolarHBondContact O-N 2.83Å; G73-N76 PolarHBondContact O-N 3.06Å; G73-L77 WeakPolarHBondContact O-CG 3.23Å; G73-L77 PolarHBondContact O-N 3.08Å; G73-L77 VanDerWaalsContact O-N 3.12Å
74	L	86.4	Confident	79.4	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-60.9	-48.4	177	-73.2	174.4	0	0	0	111.9	L33 I52 L70 F71 N76 L77 V78 V92 V95 L96 I99	L33-L74 HydrophobicContact CD1-CD2 4.12Å; L33-L74 HydrophobicContact CD1-CG 3.96Å; L33-L74 HydrophobicContact CD2-CD2 4.25Å; I52-L74 HydrophobicContact CD1-CD2 4.34Å; I52-L74 HydrophobicContact CG2-CD1 4.16Å; L70-L74 HydrophobicContact CB-CD1 4.14Å; L70-L74 WeakPolarHBondContact O-CB 3.28Å; L70-L74 WeakPolarHBondContact O-CG 3.32Å; L70-L74 PolarHBondContact O-N 3.42Å; F71-L74 PolarHBondContact O-N 3.4Å; L74-N76 VanDerWaalsContact C-N 3.33Å; L74-N76 PolarHBondContact O-N 2.9Å; L74-L77 WeakPolarHBondContact O-CB 3.44Å; L74-L77 PolarHBondContact O-N 3.28Å; L74-L77 VanDerWaalsContact O-N 3.14Å; L74-V78 PolarHBondContact O-N 3.45Å; L74-V92 HydrophobicContact CB-CG1 3.8Å; L74-V92 HydrophobicContact CD2-CG1 4.24Å; L74-V92 HydrophobicContact CD2-CG2 4.32Å; L74-V92 WeakPolarHBondContact O-CG1 3.48Å; L74-V95 HydrophobicContact CD1-CG1 3.55Å; L74-L96 HydrophobicContact CB-CD2 3.68Å; L74-L96 HydrophobicContact CB-CG 4.38Å; L74-L96 HydrophobicContact CD1-CD2 4.28Å; L74-I99 HydrophobicContact CD1-CD1 3.83Å
75	W	84.9	Confident	78.8	Confident	46 Å²	46	45.1 Å²	45.1	17%	0.174	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-41.7	179.2	-176.3	82.7	0	0	0	111.9	F71 L77 V78 Y79 L96 V115 I118 S119	F71-W75 HydrophobicContact CD1-CB 4.36Å; F71-W75 HydrophobicContact CE1-CB 4.1Å; F71-W75 HydrophobicContact CE1-CG 4.29Å; F71-W75 VanDerWaalsContact O-CB 3.28Å; F71-W75 WeakPolarHBondContact O-CB 3.26Å; F71-W75 PolarHBondContact O-N 2.79Å; W75-L77 VanDerWaalsContact C-N 3.27Å; W75-L77 PolarHBondContact O-N 3.06Å; W75-V78 PolarHBondContact O-N 3.12Å; W75-Y79 PolarHBondContact O-N 3.09Å; W75-L96 HydrophobicContact CB-CD1 4.34Å; W75-L96 HydrophobicContact CB-CD2 4.39Å; W75-V115 HydrophobicContact CZ2-CG1 4.44Å; W75-V115 HydrophobicContact CZ2-CG2 4.47Å; W75-I118 HydrophobicContact CH2-CB 4.21Å; W75-I118 HydrophobicContact CH2-CD1 3.89Å; W75-I118 HydrophobicContact CH2-CG2 3.77Å; W75-I118 HydrophobicContact CZ2-CB 3.87Å; W75-I118 HydrophobicContact CZ2-CD1 4.35Å; W75-I118 HydrophobicContact CZ2-CG2 3.54Å; W75-S119 PolarHBondContact NE1-OG 2.81Å; W75-S119 VanDerWaalsContact NE1-OG 3.15Å
76	N	82.7	Confident	78.3	Confident	51 Å²	51	42.9 Å²	42.9	27%	0.273	23%	0.226	S	C	.	.	H	α-helix	trans	-63.4	-32.6	176.5	-165.4	25.3	0	0	0	112.5	P72 G73 L74 Y79 L80	P72-N76 WeakPolarHBondContact O-CB 3.19Å; P72-N76 PolarHBondContact O-N 3.39Å; G73-N76 PolarHBondContact O-N 3.06Å; L74-N76 VanDerWaalsContact C-N 3.33Å; L74-N76 PolarHBondContact O-N 2.9Å; N76-Y79 PolarHBondContact O-N 3.07Å; N76-L80 WeakPolarHBondContact O-CB 3.37Å; N76-L80 VanDerWaalsContact O-CG 3.32Å; N76-L80 WeakPolarHBondContact O-CG 3.4Å; N76-L80 PolarHBondContact O-N 3.25Å; N76-L80 WeakPolarHBondContact OD1-CD1 3.33Å; N76-L80 WeakPolarHBondContact OD1-CG 3.49Å
77	L	79.4	Confident	78	Confident	10 Å²	10	45.9 Å²	45.9	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-39.2	175	-70.9	176.9	0	0	0	112.7	L33 R45 I49 G73 L74 W75 S81 I88	L33-L77 HydrophobicContact CD2-CD1 3.67Å; R45-L77 HydrophobicContact CG-CD1 4.36Å; I49-L77 HydrophobicContact CD1-CD1 4.04Å; I49-L77 HydrophobicContact CG1-CD1 4.24Å; G73-L77 WeakPolarHBondContact O-CG 3.23Å; G73-L77 PolarHBondContact O-N 3.08Å; G73-L77 VanDerWaalsContact O-N 3.12Å; L74-L77 WeakPolarHBondContact O-CB 3.44Å; L74-L77 PolarHBondContact O-N 3.28Å; L74-L77 VanDerWaalsContact O-N 3.14Å; W75-L77 VanDerWaalsContact C-N 3.27Å; W75-L77 PolarHBondContact O-N 3.06Å; L77-S81 PolarHBondContact O-N 3.49Å; L77-I88 HydrophobicContact CB-CG2 4.14Å
78	V	77.9	Confident	77.6	Confident	5 Å²	5	46.8 Å²	46.8	3%	0.03	25%	0.247	C	C	.	.	H	α-helix	trans	-68.5	-43.6	174.2	179.2	0	0	0	0	110.2	L74 W75 L80 S81 P89 V92 F93 K122	L74-V78 PolarHBondContact O-N 3.45Å; W75-V78 PolarHBondContact O-N 3.12Å; V78-L80 PolarHBondContact O-N 2.84Å; V78-S81 PolarHBondContact O-N 3.4Å; V78-S81 PolarHBondContact O-OG 3.38Å; V78-P89 HydrophobicContact CG1-CG 4.47Å; V78-V92 HydrophobicContact CG2-CB 3.51Å; V78-V92 HydrophobicContact CG2-CG1 3.38Å; V78-V92 HydrophobicContact CG2-CG2 4.23Å; V78-F93 HydrophobicContact CG1-CE1 4.17Å; V78-F93 HydrophobicContact CG1-CE2 3.7Å; V78-F93 HydrophobicContact CG1-CZ 3.52Å; V78-K122 HydrophobicContact CG1-CG 4.49Å; V78-K122 VanDerWaalsContact O-CE 3.27Å; V78-K122 WeakPolarHBondContact O-CE 3.16Å
79	Y	75.8	Confident	77.2	Confident	110 Å²	110	45.2 Å²	45.2	43%	0.431	24%	0.24	S	C	.	.	H	α-helix	trans	-59.8	-47.3	179.9	179.8	-109.2	0	0	0	112.4	W75 N76 S81 I118 K122	W75-Y79 PolarHBondContact O-N 3.09Å; N76-Y79 PolarHBondContact O-N 3.07Å; Y79-S81 VanDerWaalsContact C-N 3.3Å; Y79-S81 PolarHBondContact O-N 2.78Å; Y79-I118 HydrophobicContact CD2-CG2 3.45Å; Y79-I118 VanDerWaalsContact CD2-CG2 3.45Å; Y79-I118 HydrophobicContact CE2-CG2 3.47Å; Y79-I118 VanDerWaalsContact CE2-CG2 3.47Å; Y79-K122 PolarHBondContact O-NZ 3.03Å; Y79-K122 VanDerWaalsContact O-NZ 3.08Å
80	L	75.6	Confident	76.7	Confident	80 Å²	80	44 Å²	44	42%	0.419	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-3.4	-179	-63.6	174.9	0	0	0	114	K37 N76 V78	K37-L80 PolarHBondContact NZ-O 3.13Å; N76-L80 WeakPolarHBondContact O-CB 3.37Å; N76-L80 VanDerWaalsContact O-CG 3.32Å; N76-L80 WeakPolarHBondContact O-CG 3.4Å; N76-L80 PolarHBondContact O-N 3.25Å; N76-L80 WeakPolarHBondContact OD1-CD1 3.33Å; N76-L80 WeakPolarHBondContact OD1-CG 3.49Å; V78-L80 PolarHBondContact O-N 2.84Å
81	S	71.5	Confident	76.4	Confident	4 Å²	4	46.6 Å²	46.6	3%	0.028	25%	0.251	C	S	.	.	S	Bend	trans	-70.1	136.1	176.8	78.1	0	0	0	0	109.9	L77 V78 Y79 K122	L77-S81 PolarHBondContact O-N 3.49Å; V78-S81 PolarHBondContact O-N 3.4Å; V78-S81 PolarHBondContact O-OG 3.38Å; Y79-S81 VanDerWaalsContact C-N 3.3Å; Y79-S81 PolarHBondContact O-N 2.78Å; S81-K122 PolarHBondContact O-NZ 2.63Å
82	P	66.9	Low	76.2	Confident	66 Å²	66	45.8 Å²	45.8	43%	0.429	25%	0.247	S	C	.	.			trans	-61.4	144.7	170	11.7	-8.5	0	0	0	109.5	T84 D85	P82-T84 PolarHBondContact O-N 2.98Å; P82-D85 HydrophobicContact CG-CB 4.09Å; P82-D85 PolarHBondContact O-N 3.44Å
83	S	64.2	Low	76.2	Confident	47 Å²	47	42.4 Å²	42.4	33%	0.329	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-18.6	-179.4	53.5	0	0	0	0	114
84	T	58.9	Low	76.1	Confident	125 Å²	125	43.5 Å²	43.5	77%	0.767	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-19.5	174.9	52.7	0	0	0	0	113.8	P82	P82-T84 PolarHBondContact O-N 2.98Å
85	D	69.3	Low	76.1	Confident	41 Å²	41	43.4 Å²	43.4	22%	0.219	23%	0.232	C	C	.	.			trans	-99.1	100.1	-178.6	-173	1.7	0	0	0	111.1	P82 T87 P89	P82-D85 HydrophobicContact CG-CB 4.09Å; P82-D85 PolarHBondContact O-N 3.44Å; D85-T87 WeakPolarHBondContact OD1-CB 3.44Å; D85-T87 PolarHBondContact OD1-N 2.96Å; D85-T87 VanDerWaalsContact OD1-N 3.08Å; D85-T87 PolarHBondContact OD1-OG1 3.2Å; D85-P89 VanDerWaalsContact O-CD 3.25Å; D85-P89 WeakPolarHBondContact O-CD 3.44Å
86	R	70	Confident	76.3	Confident	112 Å²	112	41.2 Å²	41.2	42%	0.423	22%	0.223	S	C	.	.			trans	-87.9	-11.4	179.5	-59.9	-175.7	-176.4	-174.8	-1.4	113.6	I88 S90 S129	R86-I88 PolarHBondContact O-N 3.34Å; R86-S90 WeakPolarHBondContact O-CB 3.22Å; R86-S90 PolarHBondContact O-N 3.41Å; R86-S90 VanDerWaalsContact O-N 3.12Å; R86-S90 PolarHBondContact O-OG 2.87Å; R86-S129 PolarHBondContact NH1-OG 2.83Å
87	T	75.6	Confident	76.4	Confident	73 Å²	73	39.6 Å²	39.6	45%	0.448	22%	0.215	S	C	.	.	H	α-helix	trans	-68.2	-37.7	-173.6	61.8	0	0	0	0	112.3	D85 S90 L91	D85-T87 WeakPolarHBondContact OD1-CB 3.44Å; D85-T87 PolarHBondContact OD1-N 2.96Å; D85-T87 VanDerWaalsContact OD1-N 3.08Å; D85-T87 PolarHBondContact OD1-OG1 3.2Å; T87-S90 PolarHBondContact O-OG 3.37Å; T87-S90 VanDerWaalsContact O-OG 3.12Å; T87-L91 WeakPolarHBondContact O-CG 3.34Å
88	I	77.1	Confident	76.7	Confident	18 Å²	18	40.9 Å²	40.9	9%	0.092	22%	0.22	C	C	.	.	H	α-helix	trans	-73	-53.3	177.8	-63.4	171.1	0	0	0	111	L46 I49 L77 R86 S90 L91 V92	L46-I88 HydrophobicContact CD2-CG1 4.12Å; I49-I88 HydrophobicContact CD1-CG2 4.32Å; L77-I88 HydrophobicContact CB-CG2 4.14Å; R86-I88 PolarHBondContact O-N 3.34Å; I88-S90 PolarHBondContact O-N 3.25Å; I88-L91 PolarHBondContact O-N 3.45Å; I88-V92 HydrophobicContact CG2-CG2 3.99Å; I88-V92 WeakPolarHBondContact O-CB 3.4Å; I88-V92 VanDerWaalsContact O-CG2 3.25Å; I88-V92 WeakPolarHBondContact O-CG2 3.36Å; I88-V92 PolarHBondContact O-N 2.95Å
89	P	76.5	Confident	77.1	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-50.6	-50.2	175.8	-30	35.6	0	0	0	114.2	V78 D85 L91 V92 F93 L126	V78-P89 HydrophobicContact CG1-CG 4.47Å; D85-P89 VanDerWaalsContact O-CD 3.25Å; D85-P89 WeakPolarHBondContact O-CD 3.44Å; P89-L91 VanDerWaalsContact C-N 3.26Å; P89-L91 PolarHBondContact O-N 2.93Å; P89-V92 PolarHBondContact O-N 3.18Å; P89-V92 VanDerWaalsContact O-N 3.12Å; P89-F93 HydrophobicContact CB-CD2 3.92Å; P89-F93 HydrophobicContact CB-CE2 3.85Å; P89-F93 VanDerWaalsContact O-CD2 3.31Å; P89-F93 WeakPolarHBondContact O-CD2 3.22Å; P89-F93 PolarHBondContact O-N 3.29Å; P89-L126 HydrophobicContact CB-CD1 3.94Å; P89-L126 HydrophobicContact CG-CD1 3.86Å; P89-L126 HydrophobicContact CG-CD2 3.88Å
90	S	75.9	Confident	77.6	Confident	44 Å²	44	35.9 Å²	35.9	31%	0.308	20%	0.201	S	C	.	.	H	α-helix	trans	-61.6	-28.8	-178.1	54.3	0	0	0	0	114.4	R86 T87 I88 P94 E130	R86-S90 WeakPolarHBondContact O-CB 3.22Å; R86-S90 PolarHBondContact O-N 3.41Å; R86-S90 VanDerWaalsContact O-N 3.12Å; R86-S90 PolarHBondContact O-OG 2.87Å; T87-S90 PolarHBondContact O-OG 3.37Å; T87-S90 VanDerWaalsContact O-OG 3.12Å; I88-S90 PolarHBondContact O-N 3.25Å; S90-P94 VanDerWaalsContact O-CD 3.23Å; S90-P94 WeakPolarHBondContact O-CD 3.25Å; S90-P94 WeakPolarHBondContact O-CG 3.49Å; S90-E130 PolarHBondContact N-OE2 3.3Å
91	L	79.2	Confident	77.9	Confident	54 Å²	54	36.4 Å²	36.4	28%	0.283	20%	0.201	S	C	.	.	H	α-helix	trans	-86	-33.4	174.9	-72.6	171.4	0	0	0	112.6	L46 I49 E50 T87 I88 P89 V95	L46-L91 HydrophobicContact CD2-CD1 4.34Å; I49-L91 HydrophobicContact CG2-CB 3.69Å; I49-L91 HydrophobicContact CG2-CD1 4.34Å; E50-L91 HydrophobicContact CG-CD1 4.35Å; T87-L91 WeakPolarHBondContact O-CG 3.34Å; I88-L91 PolarHBondContact O-N 3.45Å; P89-L91 VanDerWaalsContact C-N 3.26Å; P89-L91 PolarHBondContact O-N 2.93Å; L91-V95 WeakPolarHBondContact O-CG2 3.27Å
92	V	84.1	Confident	78.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-87.9	-39.7	-170.5	176.6	0	0	0	0	112.6	I49 L74 V78 I88 P89 V95 L96	I49-V92 HydrophobicContact CD1-CG2 4.17Å; I49-V92 HydrophobicContact CG1-CG2 4.41Å; I49-V92 HydrophobicContact CG2-CG2 3.76Å; L74-V92 HydrophobicContact CB-CG1 3.8Å; L74-V92 HydrophobicContact CD2-CG1 4.24Å; L74-V92 HydrophobicContact CD2-CG2 4.32Å; L74-V92 WeakPolarHBondContact O-CG1 3.48Å; V78-V92 HydrophobicContact CG2-CB 3.51Å; V78-V92 HydrophobicContact CG2-CG1 3.38Å; V78-V92 HydrophobicContact CG2-CG2 4.23Å; I88-V92 HydrophobicContact CG2-CG2 3.99Å; I88-V92 WeakPolarHBondContact O-CB 3.4Å; I88-V92 VanDerWaalsContact O-CG2 3.25Å; I88-V92 WeakPolarHBondContact O-CG2 3.36Å; I88-V92 PolarHBondContact O-N 2.95Å; P89-V92 PolarHBondContact O-N 3.18Å; P89-V92 VanDerWaalsContact O-N 3.12Å; V92-V95 WeakPolarHBondContact O-CB 3.4Å; V92-V95 PolarHBondContact O-N 3.26Å; V92-L96 HydrophobicContact CG1-CD1 3.75Å; V92-L96 HydrophobicContact CG1-CD2 4.5Å; V92-L96 HydrophobicContact CG1-CG 3.79Å; V92-L96 WeakPolarHBondContact O-CG 3.36Å; V92-L96 PolarHBondContact O-N 3.15Å
93	F	83.9	Confident	79.1	Confident	3 Å²	3	38.3 Å²	38.3	1%	0.013	20%	0.203	C	C	.	.	H	α-helix	trans	-57.7	-44.6	180	-80.7	-59.6	0	0	0	113.7	V78 P89 V95 L96 N97 L126 D132 C133 F136	V78-F93 HydrophobicContact CG1-CE1 4.17Å; V78-F93 HydrophobicContact CG1-CE2 3.7Å; V78-F93 HydrophobicContact CG1-CZ 3.52Å; P89-F93 HydrophobicContact CB-CD2 3.92Å; P89-F93 HydrophobicContact CB-CE2 3.85Å; P89-F93 VanDerWaalsContact O-CD2 3.31Å; P89-F93 WeakPolarHBondContact O-CD2 3.22Å; P89-F93 PolarHBondContact O-N 3.29Å; F93-V95 VanDerWaalsContact C-N 3.25Å; F93-V95 PolarHBondContact O-N 3.19Å; F93-L96 HydrophobicContact CD1-CD1 4.45Å; F93-L96 PolarHBondContact O-N 3.08Å; F93-N97 WeakPolarHBondContact O-CB 3.47Å; F93-N97 PolarHBondContact O-N 3.46Å; F93-L126 HydrophobicContact CE2-CD1 3.94Å; F93-L126 HydrophobicContact CZ-CD1 4.44Å; F93-D132 HydrophobicContact CB-CB 4.02Å; F93-C133 HydrophobicContact CD2-CB 4.36Å; F93-C133 WeakPolarHBondContact CD2-SG 3.29Å; F93-C133 HydrophobicContact CE2-CB 4.23Å; F93-C133 WeakPolarHBondContact CE2-SG 3.46Å; F93-C133 HydrophobicContact CZ-CB 4.42Å; F93-F136 HydrophobicContact CD1-CB 3.84Å; F93-F136 AromaticContact CD1-CD1 3.58Å; F93-F136 HydrophobicContact CD1-CD1 3.58Å; F93-F136 HydrophobicContact CD1-CE1 4.25Å; F93-F136 AromaticContact CD1-CG 3.74Å; F93-F136 HydrophobicContact CD1-CG 3.74Å; F93-F136 AromaticContact CE1-CD1 3.51Å; F93-F136 HydrophobicContact CE1-CD1 3.51Å; F93-F136 AromaticContact CE1-CE1 3.94Å; F93-F136 HydrophobicContact CE1-CE1 3.94Å; F93-F136 HydrophobicContact CE1-CG 4.17Å
94	P	83.2	Confident	79.8	Confident	23 Å²	23	42 Å²	42	15%	0.149	22%	0.223	C	C	.	.	H	α-helix	trans	-58.8	-38.2	174	-24.4	33.9	0	0	0	112.6	F57 S90 N97 Q98 D132	F57-P94 HydrophobicContact CE2-CB 4.4Å; F57-P94 HydrophobicContact CZ-CB 3.86Å; S90-P94 VanDerWaalsContact O-CD 3.23Å; S90-P94 WeakPolarHBondContact O-CD 3.25Å; S90-P94 WeakPolarHBondContact O-CG 3.49Å; P94-N97 WeakPolarHBondContact O-CB 3.43Å; P94-N97 PolarHBondContact O-N 2.98Å; P94-Q98 VanDerWaalsContact O-CG 3.24Å; P94-Q98 WeakPolarHBondContact O-CG 3.47Å; P94-Q98 PolarHBondContact O-N 2.8Å; P94-D132 HydrophobicContact CG-CB 3.97Å
95	V	86.2	Confident	80.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-68.1	-46.6	178.2	175.6	0	0	0	0	111.4	I52 A53 A56 L74 L91 V92 F93 N97 Q98 I99	I52-V95 HydrophobicContact CG2-CG1 3.92Å; A53-V95 VanDerWaalsContact CA-CG2 3.49Å; A53-V95 HydrophobicContact CB-CG2 3.63Å; A56-V95 HydrophobicContact CB-CB 4.41Å; A56-V95 HydrophobicContact CB-CG1 3.86Å; A56-V95 HydrophobicContact CB-CG2 4.27Å; L74-V95 HydrophobicContact CD1-CG1 3.55Å; L91-V95 WeakPolarHBondContact O-CG2 3.27Å; V92-V95 WeakPolarHBondContact O-CB 3.4Å; V92-V95 PolarHBondContact O-N 3.26Å; F93-V95 VanDerWaalsContact C-N 3.25Å; F93-V95 PolarHBondContact O-N 3.19Å; V95-N97 VanDerWaalsContact C-N 3.27Å; V95-N97 PolarHBondContact O-N 3.41Å; V95-Q98 PolarHBondContact O-N 3.45Å; V95-I99 HydrophobicContact CG1-CD1 4Å; V95-I99 VanDerWaalsContact O-CG1 3.29Å; V95-I99 WeakPolarHBondContact O-CG1 3.24Å; V95-I99 PolarHBondContact O-N 2.97Å
96	L	87.8	Confident	81.5	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.6	-40.4	177	-68.7	175.7	0	0	0	111.4	F71 L74 W75 V92 F93 I99 I100 F136	F71-L96 HydrophobicContact CD2-CD2 3.59Å; F71-L96 HydrophobicContact CE2-CB 4.3Å; F71-L96 HydrophobicContact CE2-CD2 3.71Å; F71-L96 HydrophobicContact CG-CD2 4.05Å; F71-L96 HydrophobicContact CZ-CD2 4.25Å; L74-L96 HydrophobicContact CB-CD2 3.68Å; L74-L96 HydrophobicContact CB-CG 4.38Å; L74-L96 HydrophobicContact CD1-CD2 4.28Å; W75-L96 HydrophobicContact CB-CD1 4.34Å; W75-L96 HydrophobicContact CB-CD2 4.39Å; V92-L96 HydrophobicContact CG1-CD1 3.75Å; V92-L96 HydrophobicContact CG1-CD2 4.5Å; V92-L96 HydrophobicContact CG1-CG 3.79Å; V92-L96 WeakPolarHBondContact O-CG 3.36Å; V92-L96 PolarHBondContact O-N 3.15Å; F93-L96 HydrophobicContact CD1-CD1 4.45Å; F93-L96 PolarHBondContact O-N 3.08Å; L96-I99 PolarHBondContact O-N 3.42Å; L96-I100 WeakPolarHBondContact O-CG1 3.38Å; L96-I100 PolarHBondContact O-N 3.32Å; L96-I100 VanDerWaalsContact O-N 3.11Å; L96-F136 HydrophobicContact CB-CD2 3.66Å; L96-F136 HydrophobicContact CB-CE2 3.52Å; L96-F136 HydrophobicContact CB-CZ 4.37Å; L96-F136 HydrophobicContact CD1-CE2 4.08Å; L96-F136 HydrophobicContact CD1-CZ 4.12Å; L96-F136 HydrophobicContact CG-CE2 4.38Å
97	N	86.3	Confident	82	Confident	16 Å²	16	38.5 Å²	38.5	9%	0.086	21%	0.205	C	C	.	.	H	α-helix	trans	-57.6	-54.9	173.4	178.5	6.9	0	0	0	110.8	F93 P94 V95 I99 I100 Q101 E139	F93-N97 WeakPolarHBondContact O-CB 3.47Å; F93-N97 PolarHBondContact O-N 3.46Å; P94-N97 WeakPolarHBondContact O-CB 3.43Å; P94-N97 PolarHBondContact O-N 2.98Å; V95-N97 VanDerWaalsContact C-N 3.27Å; V95-N97 PolarHBondContact O-N 3.41Å; N97-I99 PolarHBondContact O-N 3.01Å; N97-I100 PolarHBondContact O-N 3.05Å; N97-I100 VanDerWaalsContact O-N 3.14Å; N97-Q101 WeakPolarHBondContact O-CB 3.48Å; N97-Q101 PolarHBondContact O-N 3.12Å; N97-E139 WeakPolarHBondContact OD1-CG 3.35Å
98	Q	84.9	Confident	82.2	Confident	37 Å²	37	35.7 Å²	35.7	17%	0.173	19%	0.186	C	C	.	.	H	α-helix	trans	-55.8	-39.6	178.5	-69.6	-68	-54.3	0	0	112.2	A56 F57 I62 P94 V95 Q101 F102	A56-Q98 HydrophobicContact CB-CB 4.33Å; F57-Q98 HydrophobicContact CD1-CG 4.06Å; F57-Q98 HydrophobicContact CE1-CG 3.66Å; F57-Q98 HydrophobicContact CZ-CG 4.05Å; I62-Q98 HydrophobicContact CD1-CB 3.48Å; I62-Q98 VanDerWaalsContact CD1-CB 3.48Å; I62-Q98 VanDerWaalsContact CD1-O 3.22Å; I62-Q98 WeakPolarHBondContact CD1-O 3.3Å; P94-Q98 VanDerWaalsContact O-CG 3.24Å; P94-Q98 WeakPolarHBondContact O-CG 3.47Å; P94-Q98 PolarHBondContact O-N 2.8Å; V95-Q98 PolarHBondContact O-N 3.45Å; Q98-Q101 PolarHBondContact O-N 2.91Å; Q98-F102 WeakPolarHBondContact O-CD2 3.23Å; Q98-F102 PolarHBondContact O-N 3.15Å; Q98-F102 VanDerWaalsContact OE1-CD2 3.23Å
99	I	87.1	Confident	82.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61	-50.9	178.2	-70.2	169.2	0	0	0	110.7	F67 F71 L74 V95 L96 N97 Q101 N103 V106	F67-I99 HydrophobicContact CD1-CD1 4.12Å; F67-I99 HydrophobicContact CD1-CG1 3.78Å; F67-I99 HydrophobicContact CE1-CD1 3.77Å; F67-I99 HydrophobicContact CE1-CG1 3.53Å; F71-I99 HydrophobicContact CB-CG2 4.49Å; F71-I99 HydrophobicContact CD2-CG2 4.02Å; L74-I99 HydrophobicContact CD1-CD1 3.83Å; V95-I99 HydrophobicContact CG1-CD1 4Å; V95-I99 VanDerWaalsContact O-CG1 3.29Å; V95-I99 WeakPolarHBondContact O-CG1 3.24Å; V95-I99 PolarHBondContact O-N 2.97Å; L96-I99 PolarHBondContact O-N 3.42Å; N97-I99 PolarHBondContact O-N 3.01Å; I99-Q101 VanDerWaalsContact C-N 3.31Å; I99-Q101 PolarHBondContact O-N 3.49Å; I99-N103 WeakPolarHBondContact O-CB 3.32Å; I99-N103 PolarHBondContact O-N 2.98Å; I99-V106 HydrophobicContact CG2-CG2 3.43Å; I99-V106 VanDerWaalsContact CG2-CG2 3.43Å
100	I	85.6	Confident	82.2	Confident	11 Å²	11	44.7 Å²	44.7	6%	0.056	25%	0.25	C	S	.	.	H	α-helix	trans	-61.6	-43.1	179.6	-66.4	166.8	0	0	0	110.8	F71 L96 N97 F108 F136 E139 L140 Y143	F71-I100 HydrophobicContact CE2-CD1 3.87Å; F71-I100 HydrophobicContact CE2-CG1 3.85Å; F71-I100 HydrophobicContact CZ-CD1 4.38Å; L96-I100 WeakPolarHBondContact O-CG1 3.38Å; L96-I100 PolarHBondContact O-N 3.32Å; L96-I100 VanDerWaalsContact O-N 3.11Å; N97-I100 PolarHBondContact O-N 3.05Å; N97-I100 VanDerWaalsContact O-N 3.14Å; I100-F108 HydrophobicContact CD1-CZ 4.23Å; I100-F108 HydrophobicContact CG1-CZ 4.19Å; I100-F136 HydrophobicContact CD1-CD2 3.85Å; I100-F136 HydrophobicContact CD1-CE2 3.42Å; I100-F136 VanDerWaalsContact CD1-CE2 3.42Å; I100-F136 HydrophobicContact CD1-CZ 4.39Å; I100-E139 HydrophobicContact CG2-CB 4.27Å; I100-L140 HydrophobicContact CD1-CD2 3.49Å; I100-L140 VanDerWaalsContact CD1-CD2 3.49Å; I100-L140 HydrophobicContact CD1-CG 3.92Å; I100-Y143 HydrophobicContact CG2-CD2 4Å; I100-Y143 HydrophobicContact CG2-CG 4.27Å
101	Q	82.1	Confident	82.6	Confident	91 Å²	91	45.2 Å²	45.2	43%	0.425	25%	0.254	S	S	.	.	H	α-helix	trans	-70.3	-42	-173.5	-168.4	175.5	29.7	0	0	112.7	N97 Q98 I99	N97-Q101 WeakPolarHBondContact O-CB 3.48Å; N97-Q101 PolarHBondContact O-N 3.12Å; Q98-Q101 PolarHBondContact O-N 2.91Å; I99-Q101 VanDerWaalsContact C-N 3.31Å; I99-Q101 PolarHBondContact O-N 3.49Å
102	F	82.5	Confident	82.9	Confident	105 Å²	105	42.7 Å²	42.7	46%	0.461	24%	0.241	S	C	.	.	H	α-helix	trans	-112.7	-15.6	-168	-63.7	-68.8	0	0	0	115.4	I62 Q98	I62-F102 HydrophobicContact CD1-CB 4.3Å; I62-F102 HydrophobicContact CG1-CB 4.35Å; I62-F102 HydrophobicContact CG2-CB 3.96Å; Q98-F102 WeakPolarHBondContact O-CD2 3.23Å; Q98-F102 PolarHBondContact O-N 3.15Å; Q98-F102 VanDerWaalsContact OE1-CD2 3.23Å
103	N	81	Confident	82.8	Confident	5 Å²	5	43.9 Å²	43.9	3%	0.027	25%	0.248	C	C	.	.			trans	-100.1	109.4	-179.9	-169.6	-44.3	0	0	0	111.3	I62 L64 I99 F105 V106	I62-N103 PolarHBondContact O-ND2 3.09Å; L64-N103 PolarHBondContact O-ND2 3.32Å; I99-N103 WeakPolarHBondContact O-CB 3.32Å; I99-N103 PolarHBondContact O-N 2.98Å; N103-F105 PolarHBondContact O-N 3.22Å; N103-F105 WeakPolarHBondContact OD1-CA 3.5Å; N103-F105 VanDerWaalsContact OD1-CB 3.27Å; N103-F105 WeakPolarHBondContact OD1-CB 3.41Å; N103-F105 WeakPolarHBondContact OD1-CD2 3.35Å; N103-F105 PolarHBondContact OD1-N 3.12Å; N103-V106 HydrophobicContact CB-CG2 3.99Å; N103-V106 WeakPolarHBondContact O-CG2 3.36Å; N103-V106 PolarHBondContact O-N 3.23Å
104	T	79.4	Confident	82.8	Confident	123 Å²	123	47.1 Å²	47.1	76%	0.755	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-8.4	-179.3	56.8	0	0	0	0	114.6
105	F	81.1	Confident	82.9	Confident	90 Å²	90	46.5 Å²	46.5	40%	0.395	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.4	179	-57.2	-75.7	0	0	0	113.1	K65 E68 N103 D107	K65-F105 HydrophobicContact CB-CD2 4.05Å; K65-F105 HydrophobicContact CB-CE1 4.49Å; K65-F105 HydrophobicContact CB-CE2 3.8Å; K65-F105 HydrophobicContact CB-CZ 4.04Å; K65-F105 HydrophobicContact CD-CD1 4.46Å; K65-F105 HydrophobicContact CD-CE1 4.18Å; K65-F105 HydrophobicContact CD-CZ 4.41Å; K65-F105 HydrophobicContact CG-CD1 4.28Å; K65-F105 HydrophobicContact CG-CD2 4.33Å; K65-F105 HydrophobicContact CG-CE1 4.3Å; K65-F105 HydrophobicContact CG-CE2 4.36Å; K65-F105 HydrophobicContact CG-CG 4.29Å; K65-F105 HydrophobicContact CG-CZ 4.34Å; E68-F105 HydrophobicContact CG-CB 4.02Å; N103-F105 PolarHBondContact O-N 3.22Å; N103-F105 WeakPolarHBondContact OD1-CA 3.5Å; N103-F105 VanDerWaalsContact OD1-CB 3.27Å; N103-F105 WeakPolarHBondContact OD1-CB 3.41Å; N103-F105 WeakPolarHBondContact OD1-CD2 3.35Å; N103-F105 PolarHBondContact OD1-N 3.12Å; F105-D107 PolarHBondContact O-N 2.74Å
106	V	82.2	Confident	82.9	Confident	8 Å²	8	46.5 Å²	46.5	5%	0.048	27%	0.267	C	S	.	.			trans	-58.4	122.8	173.9	175.6	0	0	0	0	108.7	E68 I99 N103 F108 Y143	E68-V106 HydrophobicContact CB-CG2 4.03Å; I99-V106 HydrophobicContact CG2-CG2 3.43Å; I99-V106 VanDerWaalsContact CG2-CG2 3.43Å; N103-V106 HydrophobicContact CB-CG2 3.99Å; N103-V106 WeakPolarHBondContact O-CG2 3.36Å; N103-V106 PolarHBondContact O-N 3.23Å; V106-F108 HydrophobicContact CG1-CD2 4.17Å; V106-F108 HydrophobicContact CG1-CE2 3.64Å; V106-F108 HydrophobicContact CG1-CZ 4.02Å; V106-Y143 HydrophobicContact CG1-CE2 4.48Å; V106-Y143 PolarHBondContact O-OH 2.95Å
107	D	80.8	Confident	82.6	Confident	108 Å²	108	47.2 Å²	47.2	58%	0.578	27%	0.271	S	S	*	.			trans	-137.2	122	175.1	-172.1	-4.5	0	0	0	108.8	F105 N109	F105-D107 PolarHBondContact O-N 2.74Å; D107-N109 VanDerWaalsContact C-N 3.32Å; D107-N109 PolarHBondContact OD1-N 3.14Å; D107-N109 PolarHBondContact OD2-OD1 3.11Å
108	F	79.5	Confident	82.5	Confident	14 Å²	14	48.6 Å²	48.6	6%	0.061	28%	0.278	C	S	.	.			trans	-83.8	-5.4	178.6	-67.8	-86.1	0	0	0	112.7	F71 I100 V106 G110 S111 L112 V115 L140 Y143	F71-F108 HydrophobicContact CD1-CE1 4.43Å; F71-F108 HydrophobicContact CE1-CD1 4.46Å; F71-F108 AromaticContact CE1-CE1 3.63Å; F71-F108 HydrophobicContact CE1-CE1 3.63Å; F71-F108 HydrophobicContact CE1-CZ 4.37Å; F71-F108 HydrophobicContact CE2-CE1 4.28Å; F71-F108 HydrophobicContact CE2-CZ 4.23Å; F71-F108 AromaticContact CZ-CE1 3.53Å; F71-F108 HydrophobicContact CZ-CE1 3.53Å; F71-F108 AromaticContact CZ-CZ 3.89Å; F71-F108 HydrophobicContact CZ-CZ 3.89Å; I100-F108 HydrophobicContact CD1-CZ 4.23Å; I100-F108 HydrophobicContact CG1-CZ 4.19Å; V106-F108 HydrophobicContact CG1-CD2 4.17Å; V106-F108 HydrophobicContact CG1-CE2 3.64Å; V106-F108 HydrophobicContact CG1-CZ 4.02Å; F108-G110 PolarHBondContact O-N 2.91Å; F108-S111 WeakPolarHBondContact O-CB 3.44Å; F108-S111 PolarHBondContact O-N 2.91Å; F108-S111 PolarHBondContact O-OG 3.47Å; F108-L112 HydrophobicContact CB-CB 3.75Å; F108-L112 HydrophobicContact CD1-CB 4.36Å; F108-L112 HydrophobicContact CD1-CD1 3.81Å; F108-L112 HydrophobicContact CD2-CB 4.26Å; F108-L112 HydrophobicContact CD2-CD1 3.74Å; F108-L112 HydrophobicContact CD2-CD2 4.31Å; F108-L112 HydrophobicContact CD2-CG 4.31Å; F108-L112 HydrophobicContact CE1-CD1 3.77Å; F108-L112 HydrophobicContact CE2-CD1 3.7Å; F108-L112 HydrophobicContact CG-CB 3.88Å; F108-L112 HydrophobicContact CG-CD1 3.78Å; F108-L112 HydrophobicContact CG-CG 4.32Å; F108-L112 HydrophobicContact CZ-CD1 3.72Å; F108-V115 HydrophobicContact CD1-CG2 4.34Å; F108-V115 HydrophobicContact CE1-CG1 4.27Å; F108-L140 HydrophobicContact CE1-CD2 3.98Å; F108-L140 HydrophobicContact CE2-CD2 4.48Å; F108-L140 HydrophobicContact CZ-CD2 3.62Å; F108-Y143 AromaticContact CD2-CD1 4Å; F108-Y143 HydrophobicContact CD2-CD1 4Å; F108-Y143 AromaticContact CD2-CE1 3.58Å; F108-Y143 HydrophobicContact CD2-CE1 3.58Å; F108-Y143 AromaticContact CD2-CZ 3.99Å; F108-Y143 AromaticContact CE2-CD1 3.86Å; F108-Y143 HydrophobicContact CE2-CD1 3.86Å; F108-Y143 HydrophobicContact CE2-CD2 4.45Å; F108-Y143 AromaticContact CE2-CE1 3.82Å; F108-Y143 HydrophobicContact CE2-CE1 3.82Å; F108-Y143 HydrophobicContact CE2-CE2 4.39Å; F108-Y143 HydrophobicContact CE2-CG 4.2Å
109	N	77.4	Confident	82.4	Confident	140 Å²	140	47 Å²	47	75%	0.749	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	38.7	179.5	-71.5	-50.6	0	0	0	113.3	D107 S111	D107-N109 VanDerWaalsContact C-N 3.32Å; D107-N109 PolarHBondContact OD1-N 3.14Å; D107-N109 PolarHBondContact OD2-OD1 3.11Å; N109-S111 VanDerWaalsContact C-N 3.3Å; N109-S111 PolarHBondContact O-N 3.12Å
110	G	76	Confident	82.2	Confident	67 Å²	67	47 Å²	47	69%	0.691	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-1.6	-177.1	0	0	0	0	0	115.9	F108 L112 P113	F108-G110 PolarHBondContact O-N 2.91Å; G110-L112 VanDerWaalsContact C-N 3.3Å; G110-L112 PolarHBondContact O-N 3.08Å; G110-P113 WeakPolarHBondContact O-CD 3.31Å
111	S	83.7	Confident	82	Confident	55 Å²	55	50.1 Å²	50.1	39%	0.385	29%	0.285	S	S	.	.			trans	-81.8	-4.8	178.2	81.1	0	0	0	0	114.1	F108 N109 P113 S114 V115	F108-S111 WeakPolarHBondContact O-CB 3.44Å; F108-S111 PolarHBondContact O-N 2.91Å; F108-S111 PolarHBondContact O-OG 3.47Å; N109-S111 VanDerWaalsContact C-N 3.3Å; N109-S111 PolarHBondContact O-N 3.12Å; S111-P113 VanDerWaalsContact C-CD 3.46Å; S111-S114 PolarHBondContact O-N 2.9Å; S111-S114 VanDerWaalsContact O-N 3.15Å; S111-V115 WeakPolarHBondContact O-CG2 3.49Å; S111-V115 PolarHBondContact O-N 3Å
112	L	85.5	Confident	81.9	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-55	-43.2	-175.5	-173.9	59.8	0	0	0	113.6	F108 G110 S114 V115 L116 L140 Y143 I149 F151	F108-L112 HydrophobicContact CB-CB 3.75Å; F108-L112 HydrophobicContact CD1-CB 4.36Å; F108-L112 HydrophobicContact CD1-CD1 3.81Å; F108-L112 HydrophobicContact CD2-CB 4.26Å; F108-L112 HydrophobicContact CD2-CD1 3.74Å; F108-L112 HydrophobicContact CD2-CD2 4.31Å; F108-L112 HydrophobicContact CD2-CG 4.31Å; F108-L112 HydrophobicContact CE1-CD1 3.77Å; F108-L112 HydrophobicContact CE2-CD1 3.7Å; F108-L112 HydrophobicContact CG-CB 3.88Å; F108-L112 HydrophobicContact CG-CD1 3.78Å; F108-L112 HydrophobicContact CG-CG 4.32Å; F108-L112 HydrophobicContact CZ-CD1 3.72Å; G110-L112 VanDerWaalsContact C-N 3.3Å; G110-L112 PolarHBondContact O-N 3.08Å; L112-S114 VanDerWaalsContact C-N 3.32Å; L112-S114 PolarHBondContact O-N 3.28Å; L112-V115 PolarHBondContact O-N 3.19Å; L112-L116 WeakPolarHBondContact O-CB 3.29Å; L112-L116 PolarHBondContact O-N 3.45Å; L112-L140 HydrophobicContact CD1-CB 4.5Å; L112-L140 HydrophobicContact CD1-CD2 3.55Å; L112-Y143 HydrophobicContact CD2-CD1 3.62Å; L112-Y143 HydrophobicContact CD2-CE1 4.14Å; L112-I149 HydrophobicContact CB-CD1 4.32Å; L112-I149 HydrophobicContact CD2-CD1 3.39Å; L112-I149 HydrophobicContact CD2-CG2 4.48Å; L112-I149 HydrophobicContact CG-CD1 4.48Å; L112-F151 HydrophobicContact CD2-CE1 3.97Å; L112-F151 HydrophobicContact CD2-CZ 3.51Å; L112-F151 HydrophobicContact CG-CE1 3.75Å; L112-F151 HydrophobicContact CG-CZ 3.77Å
113	P	83.3	Confident	81.6	Confident	25 Å²	25	41.7 Å²	41.7	16%	0.162	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-38.6	178.7	-20.8	33.6	0	0	0	112.5	G110 S111 L116 T117 I149 F151 S154	G110-P113 WeakPolarHBondContact O-CD 3.31Å; S111-P113 VanDerWaalsContact C-CD 3.46Å; P113-L116 PolarHBondContact O-N 3.46Å; P113-T117 PolarHBondContact O-N 3.19Å; P113-T117 PolarHBondContact O-OG1 2.98Å; P113-I149 HydrophobicContact CG-CG2 4.11Å; P113-F151 HydrophobicContact CB-CD1 4.32Å; P113-F151 HydrophobicContact CG-CD1 4.41Å; P113-S154 WeakPolarHBondContact CA-OG 3.25Å; P113-S154 WeakPolarHBondContact CB-OG 3.46Å; P113-S154 WeakPolarHBondContact O-CB 3.21Å; P113-S154 PolarHBondContact O-OG 3.28Å
114	S	84.2	Confident	81.3	Confident	70 Å²	70	41.6 Å²	41.6	49%	0.49	25%	0.247	S	C	.	.	H	α-helix	trans	-68.3	-42.2	174	-53.3	0	0	0	0	112.1	S111 L112 L116 T117 I118	S111-S114 PolarHBondContact O-N 2.9Å; S111-S114 VanDerWaalsContact O-N 3.15Å; L112-S114 VanDerWaalsContact C-N 3.32Å; L112-S114 PolarHBondContact O-N 3.28Å; S114-L116 VanDerWaalsContact C-N 3.3Å; S114-L116 PolarHBondContact O-N 2.84Å; S114-T117 PolarHBondContact O-N 2.6Å; S114-I118 WeakPolarHBondContact O-CB 3.13Å; S114-I118 WeakPolarHBondContact O-CD1 3.45Å; S114-I118 VanDerWaalsContact O-CG1 3.24Å; S114-I118 WeakPolarHBondContact O-CG1 3.37Å; S114-I118 PolarHBondContact O-N 3.15Å
115	V	84.9	Confident	81.1	Confident	11 Å²	11	39.7 Å²	39.7	7%	0.067	23%	0.23	C	C	.	.	H	α-helix	trans	-59.6	-43.6	175.3	170.8	0	0	0	0	110.3	W75 F108 S111 L112 S119 L140	W75-V115 HydrophobicContact CZ2-CG1 4.44Å; W75-V115 HydrophobicContact CZ2-CG2 4.47Å; F108-V115 HydrophobicContact CD1-CG2 4.34Å; F108-V115 HydrophobicContact CE1-CG1 4.27Å; S111-V115 WeakPolarHBondContact O-CG2 3.49Å; S111-V115 PolarHBondContact O-N 3Å; L112-V115 PolarHBondContact O-N 3.19Å; V115-S119 WeakPolarHBondContact O-CB 3.04Å; V115-S119 PolarHBondContact O-N 3.4Å; V115-S119 PolarHBondContact O-OG 3.24Å; V115-L140 HydrophobicContact CG1-CD1 4.18Å; V115-L140 HydrophobicContact CG1-CD2 4.16Å
116	L	84.8	Confident	80.4	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.5	-54.3	175.9	178	67.6	0	0	0	111.2	L112 P113 S114 I118 S119 V120 L137 L140 L141 F151 L155	L112-L116 WeakPolarHBondContact O-CB 3.29Å; L112-L116 PolarHBondContact O-N 3.45Å; P113-L116 PolarHBondContact O-N 3.46Å; S114-L116 VanDerWaalsContact C-N 3.3Å; S114-L116 PolarHBondContact O-N 2.84Å; L116-I118 PolarHBondContact O-N 3.44Å; L116-S119 PolarHBondContact O-N 3.41Å; L116-S119 VanDerWaalsContact O-N 3.15Å; L116-V120 HydrophobicContact CD1-CG2 4.39Å; L116-V120 WeakPolarHBondContact O-CG2 3.48Å; L116-V120 PolarHBondContact O-N 3.21Å; L116-L137 HydrophobicContact CD1-CD2 4.13Å; L116-L140 HydrophobicContact CD1-CB 4.48Å; L116-L141 HydrophobicContact CD1-CD2 3.58Å; L116-L141 HydrophobicContact CD1-CG 4.06Å; L116-L141 HydrophobicContact CD2-CD2 3.56Å; L116-L141 HydrophobicContact CG-CD2 4.22Å; L116-F151 HydrophobicContact CB-CE1 4.32Å; L116-F151 HydrophobicContact CD2-CD1 3.62Å; L116-F151 HydrophobicContact CD2-CE1 3.8Å; L116-F151 HydrophobicContact CD2-CG 4.19Å; L116-F151 HydrophobicContact CD2-CZ 4.48Å; L116-L155 HydrophobicContact CD2-CD2 4.23Å
117	T	82.9	Confident	79.4	Confident	14 Å²	14	41.7 Å²	41.7	9%	0.086	24%	0.235	C	C	.	.	H	α-helix	trans	-56.8	-49.6	-177.9	-53	0	0	0	0	111.5	P113 S114 S119 V120 E121 S154 K157	P113-T117 PolarHBondContact O-N 3.19Å; P113-T117 PolarHBondContact O-OG1 2.98Å; S114-T117 PolarHBondContact O-N 2.6Å; T117-S119 VanDerWaalsContact C-N 3.33Å; T117-S119 PolarHBondContact O-N 2.92Å; T117-V120 PolarHBondContact O-N 3.39Å; T117-E121 WeakPolarHBondContact O-CG 3.39Å; T117-E121 PolarHBondContact O-N 2.9Å; T117-S154 VanDerWaalsContact OG1-CB 3.3Å; T117-S154 WeakPolarHBondContact OG1-CB 3.49Å; T117-S154 PolarHBondContact OG1-OG 2.88Å; T117-K157 HydrophobicContact CG2-CB 3.93Å
118	I	82.8	Confident	78.1	Confident	46 Å²	46	36.9 Å²	36.9	24%	0.236	21%	0.209	C	C	.	.	H	α-helix	trans	-66.4	-37.6	180	-65.6	166.5	0	0	0	111.1	W75 Y79 S114 L116 V120 E121 K122	W75-I118 HydrophobicContact CH2-CB 4.21Å; W75-I118 HydrophobicContact CH2-CD1 3.89Å; W75-I118 HydrophobicContact CH2-CG2 3.77Å; W75-I118 HydrophobicContact CZ2-CB 3.87Å; W75-I118 HydrophobicContact CZ2-CD1 4.35Å; W75-I118 HydrophobicContact CZ2-CG2 3.54Å; Y79-I118 HydrophobicContact CD2-CG2 3.45Å; Y79-I118 VanDerWaalsContact CD2-CG2 3.45Å; Y79-I118 HydrophobicContact CE2-CG2 3.47Å; Y79-I118 VanDerWaalsContact CE2-CG2 3.47Å; S114-I118 WeakPolarHBondContact O-CB 3.13Å; S114-I118 WeakPolarHBondContact O-CD1 3.45Å; S114-I118 VanDerWaalsContact O-CG1 3.24Å; S114-I118 WeakPolarHBondContact O-CG1 3.37Å; S114-I118 PolarHBondContact O-N 3.15Å; L116-I118 PolarHBondContact O-N 3.44Å; I118-V120 VanDerWaalsContact C-N 3.33Å; I118-E121 PolarHBondContact O-N 3.45Å; I118-K122 WeakPolarHBondContact O-CB 3.24Å; I118-K122 PolarHBondContact O-N 2.88Å
119	S	83.5	Confident	76.9	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-67.8	-36.2	178.2	-59.2	0	0	0	0	111.3	W75 V115 L116 T117 T123	W75-S119 PolarHBondContact NE1-OG 2.81Å; W75-S119 VanDerWaalsContact NE1-OG 3.15Å; V115-S119 WeakPolarHBondContact O-CB 3.04Å; V115-S119 PolarHBondContact O-N 3.4Å; V115-S119 PolarHBondContact O-OG 3.24Å; L116-S119 PolarHBondContact O-N 3.41Å; L116-S119 VanDerWaalsContact O-N 3.15Å; T117-S119 VanDerWaalsContact C-N 3.33Å; T117-S119 PolarHBondContact O-N 2.92Å; S119-T123 WeakPolarHBondContact O-CB 3.4Å; S119-T123 PolarHBondContact O-N 2.96Å; S119-T123 PolarHBondContact O-OG1 2.89Å
120	V	83.1	Confident	75.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.2	-49	172.5	169.1	0	0	0	0	110.6	L116 T117 I118 K122 T123 C124 L137 L181	L116-V120 HydrophobicContact CD1-CG2 4.39Å; L116-V120 WeakPolarHBondContact O-CG2 3.48Å; L116-V120 PolarHBondContact O-N 3.21Å; T117-V120 PolarHBondContact O-N 3.39Å; I118-V120 VanDerWaalsContact C-N 3.33Å; V120-K122 VanDerWaalsContact C-N 3.31Å; V120-K122 PolarHBondContact O-N 3.03Å; V120-T123 WeakPolarHBondContact O-CB 3.3Å; V120-T123 PolarHBondContact O-N 3.42Å; V120-T123 VanDerWaalsContact O-N 3.17Å; V120-C124 PolarHBondContact O-N 2.72Å; V120-C124 PolarHBondContact O-SG 3.16Å; V120-L137 HydrophobicContact CG2-CD1 4.14Å; V120-L137 HydrophobicContact CG2-CD2 3.79Å; V120-L181 HydrophobicContact CG1-CD2 4.13Å
121	E	82.2	Confident	75.4	Confident	76 Å²	76	34.8 Å²	34.8	36%	0.355	19%	0.19	S	C	.	.	H	α-helix	trans	-52.7	-49.8	174.7	-76.4	172.6	-172.3	0	0	111.6	T117 I118 T123 C124 E125 V161	T117-E121 WeakPolarHBondContact O-CG 3.39Å; T117-E121 PolarHBondContact O-N 2.9Å; I118-E121 PolarHBondContact O-N 3.45Å; E121-T123 VanDerWaalsContact C-N 3.35Å; E121-T123 PolarHBondContact O-N 3.35Å; E121-C124 WeakPolarHBondContact O-CB 3.47Å; E121-C124 PolarHBondContact O-N 3.37Å; E121-E125 WeakPolarHBondContact O-CG 3.36Å; E121-E125 PolarHBondContact O-N 2.96Å; E121-V161 HydrophobicContact CB-CG1 4.4Å; E121-V161 HydrophobicContact CG-CB 4.31Å; E121-V161 HydrophobicContact CG-CG1 3.8Å; E121-V161 HydrophobicContact CG-CG2 3.75Å
122	K	78.2	Confident	74.7	Confident	18 Å²	18	34.5 Å²	34.5	8%	0.078	19%	0.185	C	C	.	.	H	α-helix	trans	-66.2	-38.7	-179.8	-167.2	65.4	-179.7	-171.4	0	112.6	V78 Y79 S81 I118 V120 C124 E125 L126	V78-K122 HydrophobicContact CG1-CG 4.49Å; V78-K122 VanDerWaalsContact O-CE 3.27Å; V78-K122 WeakPolarHBondContact O-CE 3.16Å; Y79-K122 PolarHBondContact O-NZ 3.03Å; Y79-K122 VanDerWaalsContact O-NZ 3.08Å; S81-K122 PolarHBondContact O-NZ 2.63Å; I118-K122 WeakPolarHBondContact O-CB 3.24Å; I118-K122 PolarHBondContact O-N 2.88Å; V120-K122 VanDerWaalsContact C-N 3.31Å; V120-K122 PolarHBondContact O-N 3.03Å; K122-C124 VanDerWaalsContact C-N 3.28Å; K122-C124 PolarHBondContact O-N 2.87Å; K122-E125 IonicContact NZ-OE2 2.74Å; K122-E125 PolarHBondContact NZ-OE2 3.4Å; K122-E125 WeakPolarHBondContact O-CB 3.2Å; K122-E125 PolarHBondContact O-N 3.05Å; K122-E125 VanDerWaalsContact O-N 3.1Å; K122-L126 HydrophobicContact CG-CD1 4.01Å; K122-L126 HydrophobicContact CG-CG 4.36Å; K122-L126 WeakPolarHBondContact O-CG 3.49Å; K122-L126 PolarHBondContact O-N 3.24Å
123	T	76.8	Confident	74.1	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-61.7	-39.8	175.9	-63.9	0	0	0	0	110.8	S119 V120 E121 M128 C133 L137	S119-T123 WeakPolarHBondContact O-CB 3.4Å; S119-T123 PolarHBondContact O-N 2.96Å; S119-T123 PolarHBondContact O-OG1 2.89Å; V120-T123 WeakPolarHBondContact O-CB 3.3Å; V120-T123 PolarHBondContact O-N 3.42Å; V120-T123 VanDerWaalsContact O-N 3.17Å; E121-T123 VanDerWaalsContact C-N 3.35Å; E121-T123 PolarHBondContact O-N 3.35Å; T123-M128 HydrophobicContact CG2-CE 3.71Å; T123-M128 HydrophobicContact CG2-CG 4.32Å; T123-M128 HydrophobicContact CG2-SD 3.29Å; T123-M128 WeakPolarHBondContact CG2-SD 3.29Å; T123-C133 HydrophobicContact CG2-CB 3.87Å; T123-L137 HydrophobicContact CG2-CD1 3.98Å
124	C	76.1	Confident	73.7	Confident	3 Å²	3	33.9 Å²	33.9	2%	0.02	18%	0.18	C	C	.	.	H	α-helix	trans	-66.8	-34.4	172.4	-64.3	0	0	0	0	112.8	V120 E121 K122 V161 K165 Y178	V120-C124 PolarHBondContact O-N 2.72Å; V120-C124 PolarHBondContact O-SG 3.16Å; E121-C124 WeakPolarHBondContact O-CB 3.47Å; E121-C124 PolarHBondContact O-N 3.37Å; K122-C124 VanDerWaalsContact C-N 3.28Å; K122-C124 PolarHBondContact O-N 2.87Å; C124-V161 HydrophobicContact CB-CG1 4.45Å; C124-K165 HydrophobicContact CB-CB 4.44Å; C124-K165 HydrophobicContact CB-CG 4.05Å; C124-Y178 HydrophobicContact CB-CE1 3.93Å; C124-Y178 PolarHBondContact O-OH 2.84Å; C124-Y178 VanDerWaalsContact O-OH 3.11Å
125	E	73.8	Confident	73.3	Confident	83 Å²	83	32.4 Å²	32.4	39%	0.388	17%	0.167	S	C	.	.	H	α-helix	trans	-71.4	-35	176.3	-72.2	-176.1	170.2	0	0	114.2	E121 K122 Y127	E121-E125 WeakPolarHBondContact O-CG 3.36Å; E121-E125 PolarHBondContact O-N 2.96Å; K122-E125 IonicContact NZ-OE2 2.74Å; K122-E125 PolarHBondContact NZ-OE2 3.4Å; K122-E125 WeakPolarHBondContact O-CB 3.2Å; K122-E125 PolarHBondContact O-N 3.05Å; K122-E125 VanDerWaalsContact O-N 3.1Å; E125-Y127 WeakPolarHBondContact O-CD2 3.39Å; E125-Y127 WeakPolarHBondContact O-CE2 3.16Å; E125-Y127 PolarHBondContact O-N 3.12Å; E125-Y127 VanDerWaalsContact O-N 3.11Å
126	L	67.9	Low	73.1	Confident	9 Å²	9	31.9 Å²	31.9	5%	0.047	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	4.6	-174.7	-73.9	169.8	0	0	0	113.9	P89 F93 K122 M128	P89-L126 HydrophobicContact CB-CD1 3.94Å; P89-L126 HydrophobicContact CG-CD1 3.86Å; P89-L126 HydrophobicContact CG-CD2 3.88Å; F93-L126 HydrophobicContact CE2-CD1 3.94Å; F93-L126 HydrophobicContact CZ-CD1 4.44Å; K122-L126 HydrophobicContact CG-CD1 4.01Å; K122-L126 HydrophobicContact CG-CG 4.36Å; K122-L126 WeakPolarHBondContact O-CG 3.49Å; K122-L126 PolarHBondContact O-N 3.24Å; L126-M128 PolarHBondContact O-N 3.36Å
127	Y	60	Low	72.9	Confident	132 Å²	132	32 Å²	32	52%	0.518	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	51.1	-178.2	-59.2	-85.9	0	0	0	112	E125 S129 L174	E125-Y127 WeakPolarHBondContact O-CD2 3.39Å; E125-Y127 WeakPolarHBondContact O-CE2 3.16Å; E125-Y127 PolarHBondContact O-N 3.12Å; E125-Y127 VanDerWaalsContact O-N 3.11Å; Y127-S129 VanDerWaalsContact C-N 3.34Å; Y127-S129 PolarHBondContact O-N 3.42Å; Y127-L174 VanDerWaalsContact C-CD2 3.41Å; Y127-L174 HydrophobicContact CD1-CD1 4.49Å; Y127-L174 WeakPolarHBondContact O-CD2 3.48Å
128	M	54	Low	72.7	Confident	7 Å²	7	31.8 Å²	31.8	3%	0.034	16%	0.163	C	C	.	.	S	Bend	trans	28.4	48.5	151.9	-77.1	-76.5	-133.2	0	0	118.3	T123 L126 L134 L174 N177 Y178 L181	T123-M128 HydrophobicContact CG2-CE 3.71Å; T123-M128 HydrophobicContact CG2-CG 4.32Å; T123-M128 HydrophobicContact CG2-SD 3.29Å; T123-M128 WeakPolarHBondContact CG2-SD 3.29Å; L126-M128 PolarHBondContact O-N 3.36Å; M128-L134 HydrophobicContact CE-CD2 3.95Å; M128-L134 HydrophobicContact SD-CD2 4.27Å; M128-L134 HydrophobicContact SD-CG 4.49Å; M128-L174 HydrophobicContact CB-CD2 3.9Å; M128-N177 HydrophobicContact CB-CB 3.98Å; M128-N177 HydrophobicContact CE-CB 4.5Å; M128-N177 HydrophobicContact CG-CB 4.44Å; M128-N177 PolarHBondContact O-ND2 2.91Å; M128-N177 HydrophobicContact SD-CB 4.36Å; M128-Y178 HydrophobicContact CE-CD1 4.4Å; M128-Y178 HydrophobicContact CG-CE1 4.31Å; M128-L181 HydrophobicContact CE-CB 3.83Å; M128-L181 HydrophobicContact CE-CD2 3.49Å; M128-L181 VanDerWaalsContact CE-CD2 3.49Å; M128-L181 HydrophobicContact CE-CG 4.26Å
129	S	53.9	Low	72.5	Confident	72 Å²	72	30.8 Å²	30.8	50%	0.503	16%	0.157	S	C	.	.			trans	-103.4	-5.5	168.9	57	0	0	0	0	113.7	R86 Y127	R86-S129 PolarHBondContact NH1-OG 2.83Å; Y127-S129 VanDerWaalsContact C-N 3.34Å; Y127-S129 PolarHBondContact O-N 3.42Å
130	E	54.9	Low	72.6	Confident	32 Å²	32	30.6 Å²	30.6	15%	0.15	16%	0.156	C	C	.	.			trans	-102.9	109.9	-172.5	-70.8	172.6	-168.9	0	0	110.4	S90 D132 C133	S90-E130 PolarHBondContact N-OE2 3.3Å; E130-D132 PolarHBondContact O-N 3.5Å; E130-D132 VanDerWaalsContact O-N 3.12Å; E130-C133 PolarHBondContact O-N 2.86Å
131	T	66.2	Low	72.4	Confident	73 Å²	73	31 Å²	31	45%	0.448	16%	0.158	S	C	.	.	H	α-helix	trans	-50.7	-29.5	168.9	38	0	0	0	0	112.1	L134 L135 I316	T131-L134 PolarHBondContact O-N 3.42Å; T131-L135 WeakPolarHBondContact O-CG 3.47Å; T131-L135 PolarHBondContact O-N 3.45Å; T131-I316 HydrophobicContact CG2-CG2 4.03Å
132	D	70.2	Confident	72.2	Confident	49 Å²	49	29.9 Å²	29.9	26%	0.262	15%	0.153	S	C	.	.	H	α-helix	trans	-69.7	-34.3	-176.2	-55.1	-29.7	0	0	0	113	F93 P94 E130 L135 F136	F93-D132 HydrophobicContact CB-CB 4.02Å; P94-D132 HydrophobicContact CG-CB 3.97Å; E130-D132 PolarHBondContact O-N 3.5Å; E130-D132 VanDerWaalsContact O-N 3.12Å; D132-L135 PolarHBondContact O-N 3.46Å; D132-F136 WeakPolarHBondContact O-CB 3.32Å; D132-F136 PolarHBondContact O-N 3.34Å
133	C	73.1	Confident	72.4	Confident	4 Å²	4	30.4 Å²	30.4	3%	0.027	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-45	174	-56.4	0	0	0	0	110.9	F93 T123 E130 L135 F136 L137	F93-C133 HydrophobicContact CD2-CB 4.36Å; F93-C133 WeakPolarHBondContact CD2-SG 3.29Å; F93-C133 HydrophobicContact CE2-CB 4.23Å; F93-C133 WeakPolarHBondContact CE2-SG 3.46Å; F93-C133 HydrophobicContact CZ-CB 4.42Å; T123-C133 HydrophobicContact CG2-CB 3.87Å; E130-C133 PolarHBondContact O-N 2.86Å; C133-L135 VanDerWaalsContact C-N 3.33Å; C133-F136 PolarHBondContact O-N 3.21Å; C133-L137 WeakPolarHBondContact O-CG 3.29Å; C133-L137 PolarHBondContact O-N 3.43Å
134	L	74.1	Confident	72.5	Confident	8 Å²	8	30.4 Å²	30.4	4%	0.042	15%	0.154	C	C	.	.	H	α-helix	trans	-66.9	-35.8	178.8	-71.4	176.2	0	0	0	111.6	M128 T131 S138 I180 L181	M128-L134 HydrophobicContact CE-CD2 3.95Å; M128-L134 HydrophobicContact SD-CD2 4.27Å; M128-L134 HydrophobicContact SD-CG 4.49Å; T131-L134 PolarHBondContact O-N 3.42Å; L134-S138 WeakPolarHBondContact O-CB 3.49Å; L134-S138 PolarHBondContact O-N 3.04Å; L134-S138 PolarHBondContact O-OG 3.11Å; L134-I180 HydrophobicContact CD1-CG2 4.43Å; L134-L181 HydrophobicContact CD2-CB 4.16Å; L134-L181 HydrophobicContact CD2-CD1 4.19Å
135	L	75.5	Confident	72.2	Confident	40 Å²	40	34.1 Å²	34.1	21%	0.209	18%	0.177	C	C	.	.	H	α-helix	trans	-65.5	-48.2	173.4	-71.9	170.5	0	0	0	110.8	T131 D132 C133 L137 S138 E139	T131-L135 WeakPolarHBondContact O-CG 3.47Å; T131-L135 PolarHBondContact O-N 3.45Å; D132-L135 PolarHBondContact O-N 3.46Å; C133-L135 VanDerWaalsContact C-N 3.33Å; L135-L137 PolarHBondContact O-N 3.4Å; L135-S138 WeakPolarHBondContact O-CA 3.47Å; L135-S138 WeakPolarHBondContact O-CB 3.31Å; L135-S138 PolarHBondContact O-N 3.4Å; L135-E139 VanDerWaalsContact O-CG 3.29Å; L135-E139 WeakPolarHBondContact O-CG 3.41Å; L135-E139 PolarHBondContact O-N 2.95Å
136	F	80.9	Confident	72.3	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.3	-46.2	175.9	171.6	-109.3	0	0	0	112.6	F71 F93 L96 I100 D132 C133 S138 E139 L140	F71-F136 HydrophobicContact CE2-CE2 4.09Å; F71-F136 HydrophobicContact CZ-CE2 4.11Å; F71-F136 HydrophobicContact CZ-CZ 4.11Å; F93-F136 HydrophobicContact CD1-CB 3.84Å; F93-F136 AromaticContact CD1-CD1 3.58Å; F93-F136 HydrophobicContact CD1-CD1 3.58Å; F93-F136 HydrophobicContact CD1-CE1 4.25Å; F93-F136 AromaticContact CD1-CG 3.74Å; F93-F136 HydrophobicContact CD1-CG 3.74Å; F93-F136 AromaticContact CE1-CD1 3.51Å; F93-F136 HydrophobicContact CE1-CD1 3.51Å; F93-F136 AromaticContact CE1-CE1 3.94Å; F93-F136 HydrophobicContact CE1-CE1 3.94Å; F93-F136 HydrophobicContact CE1-CG 4.17Å; L96-F136 HydrophobicContact CB-CD2 3.66Å; L96-F136 HydrophobicContact CB-CE2 3.52Å; L96-F136 HydrophobicContact CB-CZ 4.37Å; L96-F136 HydrophobicContact CD1-CE2 4.08Å; L96-F136 HydrophobicContact CD1-CZ 4.12Å; L96-F136 HydrophobicContact CG-CE2 4.38Å; I100-F136 HydrophobicContact CD1-CD2 3.85Å; I100-F136 HydrophobicContact CD1-CE2 3.42Å; I100-F136 VanDerWaalsContact CD1-CE2 3.42Å; I100-F136 HydrophobicContact CD1-CZ 4.39Å; D132-F136 WeakPolarHBondContact O-CB 3.32Å; D132-F136 PolarHBondContact O-N 3.34Å; C133-F136 PolarHBondContact O-N 3.21Å; F136-S138 VanDerWaalsContact C-N 3.3Å; F136-S138 PolarHBondContact O-N 2.91Å; F136-E139 PolarHBondContact O-N 3.46Å; F136-L140 HydrophobicContact CD1-CD1 4.02Å; F136-L140 HydrophobicContact CD2-CG 4.5Å; F136-L140 HydrophobicContact CE1-CD1 3.42Å; F136-L140 VanDerWaalsContact CE1-CD1 3.42Å; F136-L140 HydrophobicContact CE1-CG 4.16Å; F136-L140 HydrophobicContact CE2-CD1 4.18Å; F136-L140 HydrophobicContact CE2-CD2 4.2Å; F136-L140 HydrophobicContact CE2-CG 4.04Å; F136-L140 HydrophobicContact CZ-CD1 3.51Å; F136-L140 HydrophobicContact CZ-CD2 4.05Å; F136-L140 HydrophobicContact CZ-CG 3.87Å; F136-L140 WeakPolarHBondContact O-CG 3.18Å; F136-L140 PolarHBondContact O-N 3.25Å
137	L	81.6	Confident	72.5	Confident	3 Å²	3	42 Å²	42	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-61	-40.8	174.5	-71.9	174.5	0	0	0	111.6	L116 V120 T123 C133 L135 E139 L140 L141 L181	L116-L137 HydrophobicContact CD1-CD2 4.13Å; V120-L137 HydrophobicContact CG2-CD1 4.14Å; V120-L137 HydrophobicContact CG2-CD2 3.79Å; T123-L137 HydrophobicContact CG2-CD1 3.98Å; C133-L137 WeakPolarHBondContact O-CG 3.29Å; C133-L137 PolarHBondContact O-N 3.43Å; L135-L137 PolarHBondContact O-N 3.4Å; L137-E139 PolarHBondContact O-N 2.95Å; L137-L140 HydrophobicContact CD2-CD1 4.33Å; L137-L140 PolarHBondContact O-N 2.91Å; L137-L141 WeakPolarHBondContact O-CD1 3.36Å; L137-L141 WeakPolarHBondContact O-CG 3.17Å; L137-L141 PolarHBondContact O-N 2.98Å; L137-L181 HydrophobicContact CD1-CD1 3.7Å; L137-L181 HydrophobicContact CD1-CD2 4.31Å
138	S	77.3	Confident	73	Confident	8 Å²	8	41.6 Å²	41.6	6%	0.056	22%	0.218	C	C	.	.	H	α-helix	trans	-61.6	-36.9	177.6	-55.5	0	0	0	0	111.7	L134 L135 F136 L141 Q142 K184	L134-S138 WeakPolarHBondContact O-CB 3.49Å; L134-S138 PolarHBondContact O-N 3.04Å; L134-S138 PolarHBondContact O-OG 3.11Å; L135-S138 WeakPolarHBondContact O-CA 3.47Å; L135-S138 WeakPolarHBondContact O-CB 3.31Å; L135-S138 PolarHBondContact O-N 3.4Å; F136-S138 VanDerWaalsContact C-N 3.3Å; F136-S138 PolarHBondContact O-N 2.91Å; S138-L141 PolarHBondContact O-N 2.64Å; S138-Q142 WeakPolarHBondContact O-CB 3.42Å; S138-Q142 VanDerWaalsContact O-CG 3.31Å; S138-Q142 WeakPolarHBondContact O-CG 3.17Å; S138-Q142 PolarHBondContact O-N 2.9Å; S138-K184 PolarHBondContact OG-NZ 3.21Å
139	E	80.4	Confident	74	Confident	25 Å²	25	43.8 Å²	43.8	12%	0.117	23%	0.229	C	C	.	.	H	α-helix	trans	-78.3	-35.3	-177.5	-69.2	-83.9	170.7	0	0	111.7	N97 I100 L135 F136 L137 L141 Q142 Y143	N97-E139 WeakPolarHBondContact OD1-CG 3.35Å; I100-E139 HydrophobicContact CG2-CB 4.27Å; L135-E139 VanDerWaalsContact O-CG 3.29Å; L135-E139 WeakPolarHBondContact O-CG 3.41Å; L135-E139 PolarHBondContact O-N 2.95Å; F136-E139 PolarHBondContact O-N 3.46Å; L137-E139 PolarHBondContact O-N 2.95Å; E139-L141 VanDerWaalsContact C-N 3.3Å; E139-L141 PolarHBondContact O-N 3.24Å; E139-Q142 PolarHBondContact O-N 2.99Å; E139-Y143 WeakPolarHBondContact O-CB 3.49Å; E139-Y143 PolarHBondContact O-N 2.88Å
140	L	83.7	Confident	74.9	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.6	-43.5	167.2	-73.7	174.8	0	0	0	111.7	I100 F108 L112 V115 L116 F136 L137 Y143 G144	I100-L140 HydrophobicContact CD1-CD2 3.49Å; I100-L140 VanDerWaalsContact CD1-CD2 3.49Å; I100-L140 HydrophobicContact CD1-CG 3.92Å; F108-L140 HydrophobicContact CE1-CD2 3.98Å; F108-L140 HydrophobicContact CE2-CD2 4.48Å; F108-L140 HydrophobicContact CZ-CD2 3.62Å; L112-L140 HydrophobicContact CD1-CB 4.5Å; L112-L140 HydrophobicContact CD1-CD2 3.55Å; V115-L140 HydrophobicContact CG1-CD1 4.18Å; V115-L140 HydrophobicContact CG1-CD2 4.16Å; L116-L140 HydrophobicContact CD1-CB 4.48Å; F136-L140 HydrophobicContact CD1-CD1 4.02Å; F136-L140 HydrophobicContact CD2-CG 4.5Å; F136-L140 HydrophobicContact CE1-CD1 3.42Å; F136-L140 VanDerWaalsContact CE1-CD1 3.42Å; F136-L140 HydrophobicContact CE1-CG 4.16Å; F136-L140 HydrophobicContact CE2-CD1 4.18Å; F136-L140 HydrophobicContact CE2-CD2 4.2Å; F136-L140 HydrophobicContact CE2-CG 4.04Å; F136-L140 HydrophobicContact CZ-CD1 3.51Å; F136-L140 HydrophobicContact CZ-CD2 4.05Å; F136-L140 HydrophobicContact CZ-CG 3.87Å; F136-L140 WeakPolarHBondContact O-CG 3.18Å; F136-L140 PolarHBondContact O-N 3.25Å; L137-L140 HydrophobicContact CD2-CD1 4.33Å; L137-L140 PolarHBondContact O-N 2.91Å; L140-Y143 PolarHBondContact O-N 3.28Å; L140-G144 PolarHBondContact O-N 3.22Å
141	L	80.5	Confident	75.9	Confident	7 Å²	7	45.3 Å²	45.3	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-68.1	-46.6	179.4	-66.9	168.2	0	0	0	111	L116 L137 S138 E139 Y143 G144 V145 L155 L185 L188	L116-L141 HydrophobicContact CD1-CD2 3.58Å; L116-L141 HydrophobicContact CD1-CG 4.06Å; L116-L141 HydrophobicContact CD2-CD2 3.56Å; L116-L141 HydrophobicContact CG-CD2 4.22Å; L137-L141 WeakPolarHBondContact O-CD1 3.36Å; L137-L141 WeakPolarHBondContact O-CG 3.17Å; L137-L141 PolarHBondContact O-N 2.98Å; S138-L141 PolarHBondContact O-N 2.64Å; E139-L141 VanDerWaalsContact C-N 3.3Å; E139-L141 PolarHBondContact O-N 3.24Å; L141-Y143 VanDerWaalsContact C-N 3.31Å; L141-Y143 PolarHBondContact O-N 3.39Å; L141-G144 PolarHBondContact O-N 3.17Å; L141-V145 WeakPolarHBondContact O-CG2 3.34Å; L141-V145 PolarHBondContact O-N 3.35Å; L141-L155 HydrophobicContact CD2-CD2 4.16Å; L141-L185 HydrophobicContact CD1-CD2 4.36Å; L141-L188 HydrophobicContact CB-CD1 3.53Å; L141-L188 HydrophobicContact CD1-CD1 3.34Å; L141-L188 HydrophobicContact CD2-CD1 3.48Å; L141-L188 VanDerWaalsContact CD2-CD1 3.48Å; L141-L188 HydrophobicContact CG-CD1 3.55Å
142	Q	78.4	Confident	76.1	Confident	54 Å²	54	43.1 Å²	43.1	25%	0.252	22%	0.216	S	C	.	.	H	α-helix	trans	-60	-41.5	174.9	-76.2	180	23.1	0	0	112	S138 E139 V145 K146 T312	S138-Q142 WeakPolarHBondContact O-CB 3.42Å; S138-Q142 VanDerWaalsContact O-CG 3.31Å; S138-Q142 WeakPolarHBondContact O-CG 3.17Å; S138-Q142 PolarHBondContact O-N 2.9Å; E139-Q142 PolarHBondContact O-N 2.99Å; Q142-V145 PolarHBondContact O-N 3.23Å; Q142-K146 VanDerWaalsContact O-CB 3.32Å; Q142-K146 WeakPolarHBondContact O-CB 3.48Å; Q142-K146 PolarHBondContact O-N 3Å; Q142-T312 PolarHBondContact NE2-OG1 3.5Å
143	Y	81	Confident	76.4	Confident	29 Å²	29	46.3 Å²	46.3	11%	0.114	23%	0.233	C	C	.	.	H	α-helix	trans	-58.7	-50.4	174.8	-177.7	-80	0	0	0	110.5	I100 V106 F108 L112 E139 L140 L141 V145 K146 H147 I149	I100-Y143 HydrophobicContact CG2-CD2 4Å; I100-Y143 HydrophobicContact CG2-CG 4.27Å; V106-Y143 HydrophobicContact CG1-CE2 4.48Å; V106-Y143 PolarHBondContact O-OH 2.95Å; F108-Y143 AromaticContact CD2-CD1 4Å; F108-Y143 HydrophobicContact CD2-CD1 4Å; F108-Y143 AromaticContact CD2-CE1 3.58Å; F108-Y143 HydrophobicContact CD2-CE1 3.58Å; F108-Y143 AromaticContact CD2-CZ 3.99Å; F108-Y143 AromaticContact CE2-CD1 3.86Å; F108-Y143 HydrophobicContact CE2-CD1 3.86Å; F108-Y143 HydrophobicContact CE2-CD2 4.45Å; F108-Y143 AromaticContact CE2-CE1 3.82Å; F108-Y143 HydrophobicContact CE2-CE1 3.82Å; F108-Y143 HydrophobicContact CE2-CE2 4.39Å; F108-Y143 HydrophobicContact CE2-CG 4.2Å; L112-Y143 HydrophobicContact CD2-CD1 3.62Å; L112-Y143 HydrophobicContact CD2-CE1 4.14Å; E139-Y143 WeakPolarHBondContact O-CB 3.49Å; E139-Y143 PolarHBondContact O-N 2.88Å; L140-Y143 PolarHBondContact O-N 3.28Å; L141-Y143 VanDerWaalsContact C-N 3.31Å; L141-Y143 PolarHBondContact O-N 3.39Å; Y143-V145 PolarHBondContact O-N 2.9Å; Y143-K146 WeakPolarHBondContact O-CB 3.45Å; Y143-K146 PolarHBondContact O-N 3.44Å; Y143-H147 AromaticContact CD1-CD2 3.69Å; Y143-H147 AromaticContact CD2-CD2 3.86Å; Y143-H147 HydrophobicContact CE1-CB 4.35Å; Y143-H147 AromaticContact CE1-CD2 3.39Å; Y143-H147 WeakPolarHBondContact CE1-CD2 3.45Å; Y143-H147 AromaticContact CE1-CG 3.92Å; Y143-H147 AromaticContact CE2-CD2 3.59Å; Y143-H147 AromaticContact CE2-NE2 3.46Å; Y143-H147 WeakPolarHBondContact CE2-NE2 3.1Å; Y143-H147 AromaticContact CG-CD2 3.91Å; Y143-H147 AromaticContact CZ-CD2 3.32Å; Y143-H147 AromaticContact CZ-NE2 3.43Å; Y143-H147 WeakPolarHBondContact O-CB 3.47Å; Y143-H147 PolarHBondContact O-CD2 2.64Å; Y143-H147 PolarHBondContact O-N 3.1Å; Y143-I149 HydrophobicContact CE1-CD1 4.29Å
144	G	79.3	Confident	76.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69.4	-32.3	-178.7	0	0	0	0	0	113.8	L140 L141 H147 N148 I149 F151	L140-G144 PolarHBondContact O-N 3.22Å; L141-G144 PolarHBondContact O-N 3.17Å; G144-H147 CarbonylContact O-C 3.6Å; G144-H147 PolarHBondContact O-N 2.98Å; G144-N148 PolarHBondContact O-N 2.87Å; G144-I149 PolarHBondContact O-N 3.46Å; G144-F151 VanDerWaalsContact CA-CE2 3.42Å
145	V	70.6	Confident	77.1	Confident	82 Å²	82	46.4 Å²	46.4	50%	0.497	23%	0.234	S	C	.	.	H	α-helix	trans	-60.6	-46.6	169.1	171.7	0	0	0	0	110.6	L141 Q142 Y143 H147 N148 L188	L141-V145 WeakPolarHBondContact O-CG2 3.34Å; L141-V145 PolarHBondContact O-N 3.35Å; Q142-V145 PolarHBondContact O-N 3.23Å; Y143-V145 PolarHBondContact O-N 2.9Å; V145-H147 PolarHBondContact O-N 3.36Å; V145-N148 PolarHBondContact O-N 2.96Å; V145-N148 PolarHBondContact O-OD1 3.29Å; V145-L188 HydrophobicContact CG2-CD2 3.94Å
146	K	74.3	Confident	77.3	Confident	167 Å²	167	46.3 Å²	46.3	73%	0.726	24%	0.236	S	C	*	.	H	α-helix	trans	-62.3	-30.4	178.5	-176.9	-177.1	178	-173.8	0	112.9	Q142 Y143	Q142-K146 VanDerWaalsContact O-CB 3.32Å; Q142-K146 WeakPolarHBondContact O-CB 3.48Å; Q142-K146 PolarHBondContact O-N 3Å; Y143-K146 WeakPolarHBondContact O-CB 3.45Å; Y143-K146 PolarHBondContact O-N 3.44Å
147	H	73.5	Confident	77.4	Confident	91 Å²	91	51.9 Å²	51.9	42%	0.421	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	10.3	-178.6	-73.5	-80	0	0	0	113.6	Y143 G144 V145 I149	Y143-H147 AromaticContact CD1-CD2 3.69Å; Y143-H147 AromaticContact CD2-CD2 3.86Å; Y143-H147 HydrophobicContact CE1-CB 4.35Å; Y143-H147 AromaticContact CE1-CD2 3.39Å; Y143-H147 WeakPolarHBondContact CE1-CD2 3.45Å; Y143-H147 AromaticContact CE1-CG 3.92Å; Y143-H147 AromaticContact CE2-CD2 3.59Å; Y143-H147 AromaticContact CE2-NE2 3.46Å; Y143-H147 WeakPolarHBondContact CE2-NE2 3.1Å; Y143-H147 AromaticContact CG-CD2 3.91Å; Y143-H147 AromaticContact CZ-CD2 3.32Å; Y143-H147 AromaticContact CZ-NE2 3.43Å; Y143-H147 WeakPolarHBondContact O-CB 3.47Å; Y143-H147 PolarHBondContact O-CD2 2.64Å; Y143-H147 PolarHBondContact O-N 3.1Å; G144-H147 CarbonylContact O-C 3.6Å; G144-H147 PolarHBondContact O-N 2.98Å; V145-H147 PolarHBondContact O-N 3.36Å; H147-I149 HydrophobicContact CB-CD1 3.91Å; H147-I149 HydrophobicContact CB-CG1 3.99Å; H147-I149 PolarHBondContact O-N 2.85Å
148	N	69.8	Low	77.5	Confident	123 Å²	123	51.8 Å²	51.8	66%	0.658	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	43.7	-177.9	-68.4	-9.6	0	0	0	113.1	G144 V145	G144-N148 PolarHBondContact O-N 2.87Å; V145-N148 PolarHBondContact O-N 2.96Å; V145-N148 PolarHBondContact O-OD1 3.29Å
149	I	75.1	Confident	77.8	Confident	52 Å²	52	51.4 Å²	51.4	27%	0.267	26%	0.256	S	S	.	.			trans	-85.3	127.3	178.6	-64.6	172.8	0	0	0	108.6	L112 P113 Y143 G144 H147 F151	L112-I149 HydrophobicContact CB-CD1 4.32Å; L112-I149 HydrophobicContact CD2-CD1 3.39Å; L112-I149 HydrophobicContact CD2-CG2 4.48Å; L112-I149 HydrophobicContact CG-CD1 4.48Å; P113-I149 HydrophobicContact CG-CG2 4.11Å; Y143-I149 HydrophobicContact CE1-CD1 4.29Å; G144-I149 PolarHBondContact O-N 3.46Å; H147-I149 HydrophobicContact CB-CD1 3.91Å; H147-I149 HydrophobicContact CB-CG1 3.99Å; H147-I149 PolarHBondContact O-N 2.85Å; I149-F151 HydrophobicContact CG2-CD1 4.47Å; I149-F151 HydrophobicContact CG2-CE1 4.28Å; I149-F151 HydrophobicContact CG2-CZ 4.42Å; I149-F151 WeakPolarHBondContact O-CD2 3.49Å; I149-F151 PolarHBondContact O-N 2.71Å
150	D	73.4	Confident	77.9	Confident	120 Å²	120	51.3 Å²	51.3	64%	0.642	26%	0.257	S	S	*	.			trans	-69	122.3	172.4	-178.7	12	0	0	0	110.6	E152	D150-E152 WeakPolarHBondContact OD1-CB 3.33Å; D150-E152 PolarHBondContact OD1-N 3.03Å
151	F	74.6	Confident	77.9	Confident	16 Å²	16	52.3 Å²	52.3	7%	0.07	26%	0.264	C	S	.	.			trans	-113.6	0.1	179.9	-74.7	-62.1	0	0	0	113.6	L112 P113 L116 G144 I149 D153 S154 L155	L112-F151 HydrophobicContact CD2-CE1 3.97Å; L112-F151 HydrophobicContact CD2-CZ 3.51Å; L112-F151 HydrophobicContact CG-CE1 3.75Å; L112-F151 HydrophobicContact CG-CZ 3.77Å; P113-F151 HydrophobicContact CB-CD1 4.32Å; P113-F151 HydrophobicContact CG-CD1 4.41Å; L116-F151 HydrophobicContact CB-CE1 4.32Å; L116-F151 HydrophobicContact CD2-CD1 3.62Å; L116-F151 HydrophobicContact CD2-CE1 3.8Å; L116-F151 HydrophobicContact CD2-CG 4.19Å; L116-F151 HydrophobicContact CD2-CZ 4.48Å; G144-F151 VanDerWaalsContact CA-CE2 3.42Å; I149-F151 HydrophobicContact CG2-CD1 4.47Å; I149-F151 HydrophobicContact CG2-CE1 4.28Å; I149-F151 HydrophobicContact CG2-CZ 4.42Å; I149-F151 WeakPolarHBondContact O-CD2 3.49Å; I149-F151 PolarHBondContact O-N 2.71Å; F151-D153 PolarHBondContact O-N 3.24Å; F151-S154 CarbonylContact O-C 3.51Å; F151-S154 WeakPolarHBondContact O-CA 3.23Å; F151-S154 WeakPolarHBondContact O-CB 3.43Å; F151-S154 PolarHBondContact O-N 2.92Å; F151-L155 HydrophobicContact CB-CD1 3.88Å; F151-L155 HydrophobicContact CB-CG 3.82Å; F151-L155 WeakPolarHBondContact O-CG 3.4Å; F151-L155 PolarHBondContact O-N 2.7Å
152	E	71.6	Confident	78.1	Confident	27 Å²	27	52 Å²	52	13%	0.126	26%	0.262	C	S	.	.	H	α-helix	trans	-53	-55.6	-164.6	-172.3	167.7	-153.5	0	0	112.8	D150 S154 L155 V156 S194	D150-E152 WeakPolarHBondContact OD1-CB 3.33Å; D150-E152 PolarHBondContact OD1-N 3.03Å; E152-S154 PolarHBondContact O-N 2.88Å; E152-L155 PolarHBondContact O-N 3.04Å; E152-L155 VanDerWaalsContact O-N 3.15Å; E152-V156 WeakPolarHBondContact O-CG2 3.4Å; E152-V156 PolarHBondContact O-N 3.17Å; E152-S194 WeakPolarHBondContact OE1-CB 3.43Å; E152-S194 PolarHBondContact OE1-OG 3.28Å
153	D	76	Confident	78.3	Confident	116 Å²	116	50.1 Å²	50.1	62%	0.62	26%	0.255	S	S	*	.	H	α-helix	trans	-56.1	-37.6	176.5	-93.3	-1.1	0	0	0	113.1	F151 K157	F151-D153 PolarHBondContact O-N 3.24Å; D153-K157 WeakPolarHBondContact O-CB 3.47Å; D153-K157 WeakPolarHBondContact O-CD 3.46Å; D153-K157 VanDerWaalsContact O-CG 3.23Å; D153-K157 WeakPolarHBondContact O-CG 3.4Å; D153-K157 PolarHBondContact O-N 3.15Å; D153-K157 VanDerWaalsContact O-N 3.09Å
154	S	79.9	Confident	78.4	Confident	10 Å²	10	55.8 Å²	55.8	7%	0.07	28%	0.282	C	S	.	.	H	α-helix	trans	-78	-34.4	-178.3	-63.4	0	0	0	0	111.7	P113 T117 F151 E152 S158	P113-S154 WeakPolarHBondContact CA-OG 3.25Å; P113-S154 WeakPolarHBondContact CB-OG 3.46Å; P113-S154 WeakPolarHBondContact O-CB 3.21Å; P113-S154 PolarHBondContact O-OG 3.28Å; T117-S154 VanDerWaalsContact OG1-CB 3.3Å; T117-S154 WeakPolarHBondContact OG1-CB 3.49Å; T117-S154 PolarHBondContact OG1-OG 2.88Å; F151-S154 CarbonylContact O-C 3.51Å; F151-S154 WeakPolarHBondContact O-CA 3.23Å; F151-S154 WeakPolarHBondContact O-CB 3.43Å; F151-S154 PolarHBondContact O-N 2.92Å; E152-S154 PolarHBondContact O-N 2.88Å; S154-S158 WeakPolarHBondContact O-CB 3.4Å; S154-S158 PolarHBondContact O-N 3.07Å; S154-S158 PolarHBondContact O-OG 2.74Å
155	L	81.9	Confident	78.5	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-66.7	-45.5	173.3	-71.2	171.9	0	0	0	110.4	L116 L141 F151 E152 S158 L159 L185 L188 M189	L116-L155 HydrophobicContact CD2-CD2 4.23Å; L141-L155 HydrophobicContact CD2-CD2 4.16Å; F151-L155 HydrophobicContact CB-CD1 3.88Å; F151-L155 HydrophobicContact CB-CG 3.82Å; F151-L155 WeakPolarHBondContact O-CG 3.4Å; F151-L155 PolarHBondContact O-N 2.7Å; E152-L155 PolarHBondContact O-N 3.04Å; E152-L155 VanDerWaalsContact O-N 3.15Å; L155-S158 PolarHBondContact O-N 2.82Å; L155-L159 VanDerWaalsContact O-CB 3.27Å; L155-L159 WeakPolarHBondContact O-CB 3.23Å; L155-L159 VanDerWaalsContact O-CG 3.3Å; L155-L159 WeakPolarHBondContact O-CG 3.45Å; L155-L159 PolarHBondContact O-N 3.21Å; L155-L185 HydrophobicContact CD2-CB 4.39Å; L155-L185 HydrophobicContact CD2-CD2 3.6Å; L155-L188 HydrophobicContact CD1-CB 4.05Å; L155-L188 HydrophobicContact CD2-CB 4.46Å; L155-M189 HydrophobicContact CB-CG 4.48Å; L155-M189 HydrophobicContact CD1-CG 4.23Å
156	V	79.7	Confident	79	Confident	39 Å²	39	57.5 Å²	57.5	24%	0.236	28%	0.283	C	S	.	.	H	α-helix	trans	-60.8	-49.2	176.6	175.1	0	0	0	0	110.3	E152 S158 L159 T160 M189	E152-V156 WeakPolarHBondContact O-CG2 3.4Å; E152-V156 PolarHBondContact O-N 3.17Å; V156-S158 PolarHBondContact O-N 3.02Å; V156-L159 PolarHBondContact O-N 2.9Å; V156-T160 WeakPolarHBondContact O-CB 3.32Å; V156-T160 PolarHBondContact O-N 3.32Å; V156-T160 PolarHBondContact O-OG1 2.97Å; V156-M189 HydrophobicContact CG2-CE 3.74Å
157	K	82.2	Confident	79.1	Confident	117 Å²	117	53.5 Å²	53.5	51%	0.509	27%	0.27	S	S	.	.	H	α-helix	trans	-59.3	-46.3	175.9	-73.5	169.6	-171.6	165.4	0	112.1	T117 D153 L159 T160 V161	T117-K157 HydrophobicContact CG2-CB 3.93Å; D153-K157 WeakPolarHBondContact O-CB 3.47Å; D153-K157 WeakPolarHBondContact O-CD 3.46Å; D153-K157 VanDerWaalsContact O-CG 3.23Å; D153-K157 WeakPolarHBondContact O-CG 3.4Å; D153-K157 PolarHBondContact O-N 3.15Å; D153-K157 VanDerWaalsContact O-N 3.09Å; K157-L159 VanDerWaalsContact C-N 3.34Å; K157-L159 PolarHBondContact O-N 3.09Å; K157-T160 PolarHBondContact O-N 3.19Å; K157-V161 WeakPolarHBondContact O-CG2 3.34Å; K157-V161 PolarHBondContact O-N 3.41Å
158	S	83.9	Confident	78.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.2	-43.1	177.9	-66.2	0	0	0	0	112.1	S154 L155 V156 V161 C162	S154-S158 WeakPolarHBondContact O-CB 3.4Å; S154-S158 PolarHBondContact O-N 3.07Å; S154-S158 PolarHBondContact O-OG 2.74Å; L155-S158 PolarHBondContact O-N 2.82Å; V156-S158 PolarHBondContact O-N 3.02Å; S158-V161 PolarHBondContact O-N 3.03Å; S158-C162 PolarHBondContact O-N 2.93Å; S158-C162 PolarHBondContact O-SG 3.15Å
159	L	84.6	Confident	78.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.2	-43.5	176.7	-79.6	167.9	0	0	0	111.3	L155 V156 K157 V161 C162 C163 M182 L185 I186 M189 L198	L155-L159 VanDerWaalsContact O-CB 3.27Å; L155-L159 WeakPolarHBondContact O-CB 3.23Å; L155-L159 VanDerWaalsContact O-CG 3.3Å; L155-L159 WeakPolarHBondContact O-CG 3.45Å; L155-L159 PolarHBondContact O-N 3.21Å; V156-L159 PolarHBondContact O-N 2.9Å; K157-L159 VanDerWaalsContact C-N 3.34Å; K157-L159 PolarHBondContact O-N 3.09Å; L159-V161 VanDerWaalsContact C-N 3.32Å; L159-V161 PolarHBondContact O-N 3.29Å; L159-C162 WeakPolarHBondContact O-CB 3.2Å; L159-C162 PolarHBondContact O-N 2.91Å; L159-C162 VanDerWaalsContact O-N 3.15Å; L159-C163 WeakPolarHBondContact O-CB 3.3Å; L159-C163 PolarHBondContact O-N 2.92Å; L159-C163 PolarHBondContact O-SG 3.44Å; L159-M182 HydrophobicContact CD2-CB 4.22Å; L159-M182 HydrophobicContact CD2-CG 4.23Å; L159-L185 HydrophobicContact CD1-CB 4.22Å; L159-L185 HydrophobicContact CD2-CB 3.59Å; L159-L185 HydrophobicContact CD2-CD1 3.91Å; L159-L185 HydrophobicContact CD2-CG 4.42Å; L159-L185 HydrophobicContact CG-CB 3.78Å; L159-L185 HydrophobicContact CG-CD1 4.06Å; L159-I186 HydrophobicContact CD1-CG1 4.14Å; L159-I186 HydrophobicContact CD2-CG1 3.98Å; L159-M189 HydrophobicContact CD1-CG 4.38Å; L159-M189 HydrophobicContact CD1-SD 3.44Å; L159-M189 WeakPolarHBondContact CD1-SD 3.4Å; L159-L198 HydrophobicContact CB-CD1 4.02Å; L159-L198 HydrophobicContact CD1-CD1 3.73Å; L159-L198 HydrophobicContact CD1-CD2 4.24Å
160	T	82.4	Confident	78.4	Confident	23 Å²	23	50.3 Å²	50.3	14%	0.141	27%	0.27	C	S	.	.	H	α-helix	trans	-58.2	-45.3	175.4	-61.5	0	0	0	0	111.2	V156 K157 C162 C163 E164	V156-T160 WeakPolarHBondContact O-CB 3.32Å; V156-T160 PolarHBondContact O-N 3.32Å; V156-T160 PolarHBondContact O-OG1 2.97Å; K157-T160 PolarHBondContact O-N 3.19Å; T160-C162 PolarHBondContact O-N 3.31Å; T160-C163 WeakPolarHBondContact O-CB 3.44Å; T160-C163 PolarHBondContact O-N 2.66Å; T160-E164 HydrophobicContact CG2-CG 4.45Å; T160-E164 WeakPolarHBondContact O-CG 3.43Å; T160-E164 PolarHBondContact O-N 3.28Å
161	V	83.5	Confident	77.7	Confident	22 Å²	22	54.4 Å²	54.4	13%	0.133	28%	0.282	C	S	.	.	H	α-helix	trans	-60.4	-44.7	175	170.6	0	0	0	0	111.6	E121 C124 K157 S158 L159 C163 E164 K165	E121-V161 HydrophobicContact CB-CG1 4.4Å; E121-V161 HydrophobicContact CG-CB 4.31Å; E121-V161 HydrophobicContact CG-CG1 3.8Å; E121-V161 HydrophobicContact CG-CG2 3.75Å; C124-V161 HydrophobicContact CB-CG1 4.45Å; K157-V161 WeakPolarHBondContact O-CG2 3.34Å; K157-V161 PolarHBondContact O-N 3.41Å; S158-V161 PolarHBondContact O-N 3.03Å; L159-V161 VanDerWaalsContact C-N 3.32Å; L159-V161 PolarHBondContact O-N 3.29Å; V161-C163 VanDerWaalsContact C-N 3.31Å; V161-C163 PolarHBondContact O-N 2.95Å; V161-E164 PolarHBondContact O-N 3.43Å; V161-K165 VanDerWaalsContact O-CG 3.3Å; V161-K165 WeakPolarHBondContact O-CG 3.49Å; V161-K165 PolarHBondContact O-N 3.07Å; V161-K165 VanDerWaalsContact O-N 3.11Å
162	C	83.8	Confident	77.1	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.9	-43.3	175.7	-67.3	0	0	0	0	111.4	S158 L159 T160 K165 F166 L181 M182	S158-C162 PolarHBondContact O-N 2.93Å; S158-C162 PolarHBondContact O-SG 3.15Å; L159-C162 WeakPolarHBondContact O-CB 3.2Å; L159-C162 PolarHBondContact O-N 2.91Å; L159-C162 VanDerWaalsContact O-N 3.15Å; T160-C162 PolarHBondContact O-N 3.31Å; C162-K165 PolarHBondContact O-N 2.87Å; C162-F166 WeakPolarHBondContact O-CB 3.4Å; C162-F166 PolarHBondContact O-N 3.19Å; C162-L181 WeakPolarHBondContact SG-CD2 3.41Å; C162-M182 VanDerWaalsContact C-CE 3.45Å; C162-M182 HydrophobicContact CB-CE 3.77Å; C162-M182 HydrophobicContact CB-CG 3.98Å; C162-M182 WeakPolarHBondContact O-CE 3.5Å
163	C	83.4	Confident	76.9	Confident	14 Å²	14	62.6 Å²	62.6	10%	0.095	33%	0.327	C	S	.	.	H	α-helix	trans	-66.9	-39.8	179.6	-70.4	0	0	0	0	112.5	L159 T160 V161 K165 F166	L159-C163 WeakPolarHBondContact O-CB 3.3Å; L159-C163 PolarHBondContact O-N 2.92Å; L159-C163 PolarHBondContact O-SG 3.44Å; T160-C163 WeakPolarHBondContact O-CB 3.44Å; T160-C163 PolarHBondContact O-N 2.66Å; V161-C163 VanDerWaalsContact C-N 3.31Å; V161-C163 PolarHBondContact O-N 2.95Å; C163-K165 VanDerWaalsContact C-N 3.31Å; C163-K165 PolarHBondContact O-N 3.09Å; C163-F166 WeakPolarHBondContact O-CB 3.35Å; C163-F166 PolarHBondContact O-N 2.9Å
164	E	83.2	Confident	76.6	Confident	149 Å²	149	58.7 Å²	58.7	70%	0.696	31%	0.306	S	S	*	.	H	α-helix	trans	-66.2	-34.1	176.5	-74.9	179.6	-179.2	0	0	112.6	T160 V161 F166	T160-E164 HydrophobicContact CG2-CG 4.45Å; T160-E164 WeakPolarHBondContact O-CG 3.43Å; T160-E164 PolarHBondContact O-N 3.28Å; V161-E164 PolarHBondContact O-N 3.43Å; E164-F166 VanDerWaalsContact C-N 3.33Å
165	K	80.3	Confident	76.5	Confident	107 Å²	107	58.7 Å²	58.7	47%	0.465	31%	0.305	S	S	.	.	H	α-helix	trans	-83.8	-10.8	176.8	-62.9	-68.9	-175.4	-179.2	0	113.1	C124 V161 C162 C163 D167 Y178	C124-K165 HydrophobicContact CB-CB 4.44Å; C124-K165 HydrophobicContact CB-CG 4.05Å; V161-K165 VanDerWaalsContact O-CG 3.3Å; V161-K165 WeakPolarHBondContact O-CG 3.49Å; V161-K165 PolarHBondContact O-N 3.07Å; V161-K165 VanDerWaalsContact O-N 3.11Å; C162-K165 PolarHBondContact O-N 2.87Å; C163-K165 VanDerWaalsContact C-N 3.31Å; C163-K165 PolarHBondContact O-N 3.09Å; K165-D167 PolarHBondContact O-N 2.83Å; K165-D167 VanDerWaalsContact O-N 3.11Å; K165-Y178 HydrophobicContact CB-CE1 4.1Å
166	F	82.1	Confident	76.3	Confident	10 Å²	10	59.8 Å²	59.8	4%	0.044	31%	0.309	C	S	.	.			trans	-75.4	97.7	-180	-174.1	-94.1	0	0	0	110.9	C162 C163 E164 P168 L175 L179 M182 P205 F208	C162-F166 WeakPolarHBondContact O-CB 3.4Å; C162-F166 PolarHBondContact O-N 3.19Å; C163-F166 WeakPolarHBondContact O-CB 3.35Å; C163-F166 PolarHBondContact O-N 2.9Å; E164-F166 VanDerWaalsContact C-N 3.33Å; F166-P168 HydrophobicContact CE1-CB 4.26Å; F166-P168 WeakPolarHBondContact O-CD 3.48Å; F166-L175 HydrophobicContact CD2-CD1 3.8Å; F166-L175 HydrophobicContact CE1-CD1 4.14Å; F166-L175 HydrophobicContact CE2-CD1 3.25Å; F166-L175 HydrophobicContact CE2-CG 3.92Å; F166-L175 HydrophobicContact CG-CD1 4.43Å; F166-L175 HydrophobicContact CZ-CD1 3.46Å; F166-L175 VanDerWaalsContact CZ-CD1 3.46Å; F166-L175 HydrophobicContact CZ-CG 4.17Å; F166-L179 HydrophobicContact CE2-CD1 4.28Å; F166-L179 HydrophobicContact CE2-CD2 3.94Å; F166-L179 HydrophobicContact CE2-CG 3.79Å; F166-L179 HydrophobicContact CZ-CD2 4.27Å; F166-L179 HydrophobicContact CZ-CG 4.38Å; F166-M182 HydrophobicContact CB-CE 3.79Å; F166-M182 HydrophobicContact CD2-CE 3.89Å; F166-M182 HydrophobicContact CG-CE 4.01Å; F166-P205 HydrophobicContact CD1-CB 4.41Å; F166-P205 HydrophobicContact CD1-CG 3.85Å; F166-P205 HydrophobicContact CE1-CB 4.26Å; F166-P205 HydrophobicContact CE1-CG 4.2Å; F166-P205 HydrophobicContact CG-CG 4.08Å; F166-P205 HydrophobicContact CZ-CB 4.49Å; F166-F208 HydrophobicContact CE1-CB 3.83Å; F166-F208 HydrophobicContact CE1-CD1 4.41Å; F166-F208 HydrophobicContact CE1-CG 4.08Å; F166-F208 HydrophobicContact CZ-CB 3.94Å; F166-F208 AromaticContact CZ-CD1 3.66Å; F166-F208 HydrophobicContact CZ-CD1 3.66Å; F166-F208 HydrophobicContact CZ-CD2 4.48Å; F166-F208 HydrophobicContact CZ-CE1 4.32Å; F166-F208 AromaticContact CZ-CG 3.75Å; F166-F208 HydrophobicContact CZ-CG 3.75Å
167	D	76.9	Confident	76.2	Confident	84 Å²	84	59.7 Å²	59.7	45%	0.449	31%	0.307	S	S	.	.			trans	-102.8	105.7	174	-174.6	-6.9	0	0	0	111.3	K165 S169 C170 L175	K165-D167 PolarHBondContact O-N 2.83Å; K165-D167 VanDerWaalsContact O-N 3.11Å; D167-S169 PolarHBondContact O-N 3.29Å; D167-S169 VanDerWaalsContact O-N 3.12Å; D167-S169 VanDerWaalsContact OD1-CB 3.24Å; D167-S169 WeakPolarHBondContact OD1-CB 3.26Å; D167-S169 PolarHBondContact OD1-N 3.44Å; D167-S169 PolarHBondContact OD1-OG 2.77Å; D167-S169 PolarHBondContact OD2-OG 3.38Å; D167-C170 VanDerWaalsContact O-CB 3.28Å; D167-C170 WeakPolarHBondContact O-CB 3.43Å; D167-C170 PolarHBondContact O-N 3.27Å; D167-C170 VanDerWaalsContact O-N 3.1Å; D167-L175 WeakPolarHBondContact O-CD1 3.3Å
168	P	69.2	Low	76.1	Confident	63 Å²	63	55 Å²	55	41%	0.409	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-9.6	179.3	27.7	-34	0	0	0	114	F166 C170 F208	F166-P168 HydrophobicContact CE1-CB 4.26Å; F166-P168 WeakPolarHBondContact O-CD 3.48Å; P168-C170 VanDerWaalsContact C-N 3.3Å; P168-F208 HydrophobicContact CB-CB 4.43Å; P168-F208 HydrophobicContact CB-CD2 3.79Å; P168-F208 HydrophobicContact CB-CG 4.42Å
169	S	68.5	Low	76.1	Confident	90 Å²	90	55 Å²	55	63%	0.629	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-14.9	173.9	78.6	0	0	0	0	113.2	D167 K171	D167-S169 PolarHBondContact O-N 3.29Å; D167-S169 VanDerWaalsContact O-N 3.12Å; D167-S169 VanDerWaalsContact OD1-CB 3.24Å; D167-S169 WeakPolarHBondContact OD1-CB 3.26Å; D167-S169 PolarHBondContact OD1-N 3.44Å; D167-S169 PolarHBondContact OD1-OG 2.77Å; D167-S169 PolarHBondContact OD2-OG 3.38Å; S169-K171 PolarHBondContact O-N 3.37Å
170	C	64.6	Low	75.9	Confident	45 Å²	45	55.2 Å²	55.2	30%	0.304	29%	0.287	S	S	.	.			trans	-71.6	123.2	177.5	-158.3	0	0	0	0	110.1	D167 P168 D172	D167-C170 VanDerWaalsContact O-CB 3.28Å; D167-C170 WeakPolarHBondContact O-CB 3.43Å; D167-C170 PolarHBondContact O-N 3.27Å; D167-C170 VanDerWaalsContact O-N 3.1Å; P168-C170 VanDerWaalsContact C-N 3.3Å; C170-D172 VanDerWaalsContact C-N 3.27Å; C170-D172 PolarHBondContact O-N 2.81Å
171	K	58.8	Low	75.8	Confident	206 Å²	206	54.1 Å²	54.1	90%	0.896	28%	0.281	S	S	*	.			trans	-86.1	5.9	-178.4	-72.5	-175	178.6	177	0	113.8	S169	S169-K171 PolarHBondContact O-N 3.37Å
172	D	62.9	Low	75.9	Confident	92 Å²	92	53.1 Å²	53.1	49%	0.492	28%	0.275	S	S	.	.	S	Bend	trans	-98.2	160.7	-165.5	-63.7	-23.1	0	0	0	112.9	C170 L174 L175	C170-D172 VanDerWaalsContact C-N 3.27Å; C170-D172 PolarHBondContact O-N 2.81Å; D172-L174 HydrophobicContact CB-CB 4.32Å; D172-L174 HydrophobicContact CB-CD1 4.08Å; D172-L174 HydrophobicContact CB-CG 4.19Å; D172-L174 PolarHBondContact O-N 2.86Å; D172-L175 PolarHBondContact O-N 2.7Å; D172-L175 VanDerWaalsContact O-N 3.12Å
173	D	66.5	Low	75.9	Confident	124 Å²	124	53.1 Å²	53.1	66%	0.663	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-20.7	174.7	-70	-34.3	0	0	0	113.4	L175 W176 N177	D173-L175 VanDerWaalsContact C-N 3.3Å; D173-L175 PolarHBondContact O-N 3.4Å; D173-W176 PolarHBondContact O-N 3.35Å; D173-N177 PolarHBondContact O-N 2.75Å
174	L	69.6	Low	75.7	Confident	34 Å²	34	53.6 Å²	53.6	18%	0.178	28%	0.275	C	S	.	.	H	α-helix	trans	-53.1	-42.7	175.1	-65.6	169	0	0	0	113.2	Y127 M128 D172 W176 N177 Y178	Y127-L174 VanDerWaalsContact C-CD2 3.41Å; Y127-L174 HydrophobicContact CD1-CD1 4.49Å; Y127-L174 WeakPolarHBondContact O-CD2 3.48Å; M128-L174 HydrophobicContact CB-CD2 3.9Å; D172-L174 HydrophobicContact CB-CB 4.32Å; D172-L174 HydrophobicContact CB-CD1 4.08Å; D172-L174 HydrophobicContact CB-CG 4.19Å; D172-L174 PolarHBondContact O-N 2.86Å; L174-W176 PolarHBondContact O-N 2.58Å; L174-N177 PolarHBondContact O-N 3.46Å; L174-N177 VanDerWaalsContact O-N 3.14Å; L174-Y178 HydrophobicContact CB-CE2 4.5Å; L174-Y178 WeakPolarHBondContact O-CD2 3.26Å; L174-Y178 PolarHBondContact O-N 3.38Å; L174-Y178 VanDerWaalsContact O-N 3.13Å
175	L	77.7	Confident	75.6	Confident	9 Å²	9	46.5 Å²	46.5	5%	0.047	24%	0.242	C	C	.	.	H	α-helix	trans	-58.1	-39	-177.8	-173.6	69.4	0	0	0	111.7	F166 D167 D172 D173 L179 F208	F166-L175 HydrophobicContact CD2-CD1 3.8Å; F166-L175 HydrophobicContact CE1-CD1 4.14Å; F166-L175 HydrophobicContact CE2-CD1 3.25Å; F166-L175 HydrophobicContact CE2-CG 3.92Å; F166-L175 HydrophobicContact CG-CD1 4.43Å; F166-L175 HydrophobicContact CZ-CD1 3.46Å; F166-L175 VanDerWaalsContact CZ-CD1 3.46Å; F166-L175 HydrophobicContact CZ-CG 4.17Å; D167-L175 WeakPolarHBondContact O-CD1 3.3Å; D172-L175 PolarHBondContact O-N 2.7Å; D172-L175 VanDerWaalsContact O-N 3.12Å; D173-L175 VanDerWaalsContact C-N 3.3Å; D173-L175 PolarHBondContact O-N 3.4Å; L175-L179 PolarHBondContact O-N 2.86Å; L175-F208 HydrophobicContact CD2-CD2 4.28Å; L175-F208 HydrophobicContact CD2-CE1 3.97Å; L175-F208 HydrophobicContact CD2-CE2 3.43Å; L175-F208 VanDerWaalsContact CD2-CE2 3.43Å; L175-F208 HydrophobicContact CD2-CZ 3.23Å; L175-F208 HydrophobicContact CG-CE1 4.42Å; L175-F208 HydrophobicContact CG-CZ 4.14Å
176	W	79	Confident	75.7	Confident	28 Å²	28	41.5 Å²	41.5	11%	0.106	22%	0.22	C	C	.	.	H	α-helix	trans	-74.5	-33.1	-178.9	-58.2	107.8	0	0	0	112.1	D173 L174 L179 I180 F208 F218 Q224 I227 V228	D173-W176 PolarHBondContact O-N 3.35Å; L174-W176 PolarHBondContact O-N 2.58Å; W176-L179 HydrophobicContact CE3-CD1 3.82Å; W176-L179 HydrophobicContact CZ3-CD1 3.96Å; W176-L179 PolarHBondContact O-N 3.26Å; W176-I180 WeakPolarHBondContact O-CG1 3.18Å; W176-I180 PolarHBondContact O-N 3.4Å; W176-F208 AromaticContact CH2-CE1 3.97Å; W176-F208 HydrophobicContact CH2-CE1 3.97Å; W176-F208 AromaticContact CH2-CZ 3.93Å; W176-F208 HydrophobicContact CH2-CZ 3.93Å; W176-F208 HydrophobicContact CZ2-CZ 4.14Å; W176-F208 HydrophobicContact CZ3-CE1 4.06Å; W176-F208 HydrophobicContact CZ3-CZ 4.43Å; W176-F218 HydrophobicContact CH2-CE1 4.37Å; W176-Q224 HydrophobicContact CD2-CB 4.17Å; W176-Q224 HydrophobicContact CD2-CG 3.49Å; W176-Q224 VanDerWaalsContact CD2-CG 3.49Å; W176-Q224 HydrophobicContact CE3-CB 4.06Å; W176-Q224 HydrophobicContact CE3-CG 3.88Å; W176-Q224 HydrophobicContact CG-CG 3.93Å; W176-Q224 HydrophobicContact CH2-CB 3.74Å; W176-Q224 HydrophobicContact CH2-CG 3.99Å; W176-Q224 HydrophobicContact CZ2-CB 3.84Å; W176-Q224 HydrophobicContact CZ2-CG 3.61Å; W176-Q224 HydrophobicContact CZ3-CB 3.86Å; W176-Q224 HydrophobicContact CZ3-CG 4.12Å; W176-I227 HydrophobicContact CB-CD1 4.12Å; W176-I227 HydrophobicContact CE3-CB 4.38Å; W176-I227 HydrophobicContact CE3-CD1 4.45Å; W176-I227 HydrophobicContact CE3-CG2 4.15Å; W176-V228 HydrophobicContact CH2-CG2 4.22Å; W176-V228 HydrophobicContact CZ3-CG2 3.78Å
177	N	76.4	Confident	75.4	Confident	37 Å²	37	45 Å²	45	20%	0.198	24%	0.24	C	C	.	.	H	α-helix	trans	-68.6	-35.2	175.4	-68.2	-19.5	0	0	0	112	M128 D173 L174 I180 L181	M128-N177 HydrophobicContact CB-CB 3.98Å; M128-N177 HydrophobicContact CE-CB 4.5Å; M128-N177 HydrophobicContact CG-CB 4.44Å; M128-N177 PolarHBondContact O-ND2 2.91Å; M128-N177 HydrophobicContact SD-CB 4.36Å; D173-N177 PolarHBondContact O-N 2.75Å; L174-N177 PolarHBondContact O-N 3.46Å; L174-N177 VanDerWaalsContact O-N 3.14Å; N177-I180 PolarHBondContact O-N 3.07Å; N177-L181 WeakPolarHBondContact O-CB 3.34Å; N177-L181 PolarHBondContact O-N 3.01Å
178	Y	80.2	Confident	75.2	Confident	18 Å²	18	43.8 Å²	43.8	7%	0.071	23%	0.233	C	C	.	.	H	α-helix	trans	-62	-43.8	170.1	-70.9	-62	0	0	0	112	C124 M128 K165 L174 L181 M182	C124-Y178 HydrophobicContact CB-CE1 3.93Å; C124-Y178 PolarHBondContact O-OH 2.84Å; C124-Y178 VanDerWaalsContact O-OH 3.11Å; M128-Y178 HydrophobicContact CE-CD1 4.4Å; M128-Y178 HydrophobicContact CG-CE1 4.31Å; K165-Y178 HydrophobicContact CB-CE1 4.1Å; L174-Y178 HydrophobicContact CB-CE2 4.5Å; L174-Y178 WeakPolarHBondContact O-CD2 3.26Å; L174-Y178 PolarHBondContact O-N 3.38Å; L174-Y178 VanDerWaalsContact O-N 3.13Å; Y178-L181 PolarHBondContact O-N 3.46Å; Y178-M182 VanDerWaalsContact O-CG 3.28Å; Y178-M182 WeakPolarHBondContact O-CG 3.46Å; Y178-M182 PolarHBondContact O-N 3.41Å
179	L	83.9	Confident	75.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.5	-41.8	175.7	-72.8	169.2	0	0	0	112.1	F166 L175 W176 L181 M182 I183 P205 F208 I227 F231	F166-L179 HydrophobicContact CE2-CD1 4.28Å; F166-L179 HydrophobicContact CE2-CD2 3.94Å; F166-L179 HydrophobicContact CE2-CG 3.79Å; F166-L179 HydrophobicContact CZ-CD2 4.27Å; F166-L179 HydrophobicContact CZ-CG 4.38Å; L175-L179 PolarHBondContact O-N 2.86Å; W176-L179 HydrophobicContact CE3-CD1 3.82Å; W176-L179 HydrophobicContact CZ3-CD1 3.96Å; W176-L179 PolarHBondContact O-N 3.26Å; L179-L181 VanDerWaalsContact C-N 3.3Å; L179-L181 PolarHBondContact O-N 2.64Å; L179-M182 HydrophobicContact CD2-SD 4.26Å; L179-M182 PolarHBondContact O-N 2.96Å; L179-I183 WeakPolarHBondContact O-CD1 3.43Å; L179-I183 WeakPolarHBondContact O-CG1 3.46Å; L179-I183 PolarHBondContact O-N 2.88Å; L179-P205 HydrophobicContact CD2-CB 4.32Å; L179-F208 HydrophobicContact CD1-CD1 4.02Å; L179-F208 HydrophobicContact CD1-CE1 3.72Å; L179-I227 HydrophobicContact CB-CG2 3.64Å; L179-I227 HydrophobicContact CD1-CG2 4.29Å; L179-F231 HydrophobicContact CD2-CD2 4.2Å; L179-F231 HydrophobicContact CD2-CE2 4.37Å; L179-F231 HydrophobicContact CD2-CG 4.35Å
180	I	81.1	Confident	74.6	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-58.8	-44.4	174.8	-70.1	166	0	0	0	110.7	L134 W176 N177 I183 K184 I227 L315	L134-I180 HydrophobicContact CD1-CG2 4.43Å; W176-I180 WeakPolarHBondContact O-CG1 3.18Å; W176-I180 PolarHBondContact O-N 3.4Å; N177-I180 PolarHBondContact O-N 3.07Å; I180-I183 PolarHBondContact O-N 3.43Å; I180-K184 WeakPolarHBondContact O-CG 3.42Å; I180-K184 PolarHBondContact O-N 3.3Å; I180-K184 VanDerWaalsContact O-N 3.09Å; I180-I227 HydrophobicContact CD1-CD1 3.74Å; I180-I227 HydrophobicContact CD1-CG1 4.29Å; I180-I227 HydrophobicContact CG1-CD1 3.88Å; I180-I227 HydrophobicContact CG1-CG1 3.96Å; I180-I227 HydrophobicContact CG1-CG2 4.3Å; I180-L315 HydrophobicContact CG2-CB 4.35Å; I180-L315 HydrophobicContact CG2-CD1 4.31Å
181	L	79.9	Confident	74.1	Confident	1 Å²	1	39 Å²	39	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-44.3	177.4	-179.4	58	0	0	0	111.4	V120 M128 L134 L137 C162 N177 Y178 L179 I183 K184 L185	V120-L181 HydrophobicContact CG1-CD2 4.13Å; M128-L181 HydrophobicContact CE-CB 3.83Å; M128-L181 HydrophobicContact CE-CD2 3.49Å; M128-L181 VanDerWaalsContact CE-CD2 3.49Å; M128-L181 HydrophobicContact CE-CG 4.26Å; L134-L181 HydrophobicContact CD2-CB 4.16Å; L134-L181 HydrophobicContact CD2-CD1 4.19Å; L137-L181 HydrophobicContact CD1-CD1 3.7Å; L137-L181 HydrophobicContact CD1-CD2 4.31Å; C162-L181 WeakPolarHBondContact SG-CD2 3.41Å; N177-L181 WeakPolarHBondContact O-CB 3.34Å; N177-L181 PolarHBondContact O-N 3.01Å; Y178-L181 PolarHBondContact O-N 3.46Å; L179-L181 VanDerWaalsContact C-N 3.3Å; L179-L181 PolarHBondContact O-N 2.64Å; L181-I183 PolarHBondContact O-N 3.16Å; L181-K184 PolarHBondContact O-N 3.01Å; L181-L185 HydrophobicContact CD1-CD1 4.16Å; L181-L185 HydrophobicContact CD1-CG 4.17Å; L181-L185 HydrophobicContact CG-CD1 3.98Å; L181-L185 HydrophobicContact CG-CG 4.43Å; L181-L185 VanDerWaalsContact O-CG 3.31Å; L181-L185 WeakPolarHBondContact O-CG 3.3Å; L181-L185 PolarHBondContact O-N 2.84Å
182	M	86.3	Confident	73.7	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.9	-44.8	175	-69.9	173.2	-169.9	0	0	111.8	L159 C162 F166 Y178 L179 K184 L185 I186 P205 F231	L159-M182 HydrophobicContact CD2-CB 4.22Å; L159-M182 HydrophobicContact CD2-CG 4.23Å; C162-M182 VanDerWaalsContact C-CE 3.45Å; C162-M182 HydrophobicContact CB-CE 3.77Å; C162-M182 HydrophobicContact CB-CG 3.98Å; C162-M182 WeakPolarHBondContact O-CE 3.5Å; F166-M182 HydrophobicContact CB-CE 3.79Å; F166-M182 HydrophobicContact CD2-CE 3.89Å; F166-M182 HydrophobicContact CG-CE 4.01Å; Y178-M182 VanDerWaalsContact O-CG 3.28Å; Y178-M182 WeakPolarHBondContact O-CG 3.46Å; Y178-M182 PolarHBondContact O-N 3.41Å; L179-M182 HydrophobicContact CD2-SD 4.26Å; L179-M182 PolarHBondContact O-N 2.96Å; M182-K184 VanDerWaalsContact C-N 3.31Å; M182-K184 PolarHBondContact O-N 3.32Å; M182-L185 PolarHBondContact O-N 2.72Å; M182-I186 HydrophobicContact CB-CD1 4.34Å; M182-I186 WeakPolarHBondContact O-CB 3.43Å; M182-I186 WeakPolarHBondContact O-CD1 3.31Å; M182-I186 WeakPolarHBondContact O-CG1 3.23Å; M182-I186 PolarHBondContact O-N 3.13Å; M182-P205 HydrophobicContact CE-CG 3.88Å; M182-P205 HydrophobicContact SD-CB 4.03Å; M182-P205 HydrophobicContact SD-CG 3.82Å; M182-F231 HydrophobicContact CB-CD2 4.43Å; M182-F231 HydrophobicContact CB-CE2 4.07Å; M182-F231 HydrophobicContact SD-CE2 4.34Å
183	I	84.4	Confident	72.9	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-55.3	-48.4	175.9	-69.5	161.1	0	0	0	110.5	L179 I180 L181 L185 I186 N187 I227 Q230 F231 A234 L315	L179-I183 WeakPolarHBondContact O-CD1 3.43Å; L179-I183 WeakPolarHBondContact O-CG1 3.46Å; L179-I183 PolarHBondContact O-N 2.88Å; I180-I183 PolarHBondContact O-N 3.43Å; L181-I183 PolarHBondContact O-N 3.16Å; I183-L185 PolarHBondContact O-N 2.64Å; I183-I186 PolarHBondContact O-N 3.33Å; I183-N187 WeakPolarHBondContact O-CB 3.07Å; I183-N187 PolarHBondContact O-N 3.3Å; I183-N187 PolarHBondContact O-ND2 3.13Å; I183-I227 HydrophobicContact CD1-CG2 3.94Å; I183-I227 WeakPolarHBondContact CD1-O 3.05Å; I183-Q230 HydrophobicContact CD1-CB 3.98Å; I183-F231 HydrophobicContact CD1-CB 4.01Å; I183-F231 HydrophobicContact CG1-CB 3.81Å; I183-F231 HydrophobicContact CG1-CD2 4.03Å; I183-F231 HydrophobicContact CG1-CG 4.44Å; I183-A234 HydrophobicContact CG2-CB 4.3Å; I183-L315 HydrophobicContact CG2-CD1 4.15Å
184	K	78.3	Confident	72	Confident	23 Å²	23	27.2 Å²	27.2	10%	0.1	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-43.6	-179.9	-73.7	-174	172.9	-165.4	0	111.9	S138 I180 L181 M182 L188	S138-K184 PolarHBondContact OG-NZ 3.21Å; I180-K184 WeakPolarHBondContact O-CG 3.42Å; I180-K184 PolarHBondContact O-N 3.3Å; I180-K184 VanDerWaalsContact O-N 3.09Å; L181-K184 PolarHBondContact O-N 3.01Å; M182-K184 VanDerWaalsContact C-N 3.31Å; M182-K184 PolarHBondContact O-N 3.32Å; K184-L188 WeakPolarHBondContact O-CG 3.45Å
185	L	81	Confident	71	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-68.5	-42.6	179	-67.6	171.8	0	0	0	111.9	L141 L155 L159 L181 M182 I183 L188	L141-L185 HydrophobicContact CD1-CD2 4.36Å; L155-L185 HydrophobicContact CD2-CB 4.39Å; L155-L185 HydrophobicContact CD2-CD2 3.6Å; L159-L185 HydrophobicContact CD1-CB 4.22Å; L159-L185 HydrophobicContact CD2-CB 3.59Å; L159-L185 HydrophobicContact CD2-CD1 3.91Å; L159-L185 HydrophobicContact CD2-CG 4.42Å; L159-L185 HydrophobicContact CG-CB 3.78Å; L159-L185 HydrophobicContact CG-CD1 4.06Å; L181-L185 HydrophobicContact CD1-CD1 4.16Å; L181-L185 HydrophobicContact CD1-CG 4.17Å; L181-L185 HydrophobicContact CG-CD1 3.98Å; L181-L185 HydrophobicContact CG-CG 4.43Å; L181-L185 VanDerWaalsContact O-CG 3.31Å; L181-L185 WeakPolarHBondContact O-CG 3.3Å; L181-L185 PolarHBondContact O-N 2.84Å; M182-L185 PolarHBondContact O-N 2.72Å; I183-L185 PolarHBondContact O-N 2.64Å; L185-L188 PolarHBondContact O-N 2.91Å
186	I	82.4	Confident	69.8	Low	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-63.5	-44.1	178.7	-70.1	164.6	0	0	0	110.8	L159 M182 I183 L188 M189 L202 F231 A234 L235 V238	L159-I186 HydrophobicContact CD1-CG1 4.14Å; L159-I186 HydrophobicContact CD2-CG1 3.98Å; M182-I186 HydrophobicContact CB-CD1 4.34Å; M182-I186 WeakPolarHBondContact O-CB 3.43Å; M182-I186 WeakPolarHBondContact O-CD1 3.31Å; M182-I186 WeakPolarHBondContact O-CG1 3.23Å; M182-I186 PolarHBondContact O-N 3.13Å; I183-I186 PolarHBondContact O-N 3.33Å; I186-L188 PolarHBondContact O-N 3.22Å; I186-M189 WeakPolarHBondContact O-CB 3.3Å; I186-M189 PolarHBondContact O-N 3.08Å; I186-L202 HydrophobicContact CD1-CD1 4.41Å; I186-L202 HydrophobicContact CD1-CD2 4.28Å; I186-F231 HydrophobicContact CD1-CD2 4.12Å; I186-F231 HydrophobicContact CD1-CE2 3.58Å; I186-F231 HydrophobicContact CD1-CZ 4.39Å; I186-A234 HydrophobicContact CB-CB 4.24Å; I186-A234 HydrophobicContact CG2-CB 3.77Å; I186-A234 WeakPolarHBondContact CG2-O 3.19Å; I186-L235 HydrophobicContact CD1-CD2 3.91Å; I186-L235 HydrophobicContact CG2-CD2 4.48Å; I186-V238 HydrophobicContact CG2-CB 4.37Å; I186-V238 HydrophobicContact CG2-CG2 3.52Å; I186-V238 VanDerWaalsContact O-CG2 3.23Å; I186-V238 WeakPolarHBondContact O-CG2 3.43Å
187	N	77	Confident	69	Low	84 Å²	84	33 Å²	33	45%	0.449	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.1	179.9	-78.4	-24.2	0	0	0	114.2	I183 A234	I183-N187 WeakPolarHBondContact O-CB 3.07Å; I183-N187 PolarHBondContact O-N 3.3Å; I183-N187 PolarHBondContact O-ND2 3.13Å; N187-A234 WeakPolarHBondContact OD1-CA 3.27Å; N187-A234 WeakPolarHBondContact OD1-CB 3.32Å
188	L	71.3	Confident	68.6	Low	59 Å²	59	31.4 Å²	31.4	31%	0.309	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-6.4	175.8	-64.9	170.5	0	0	0	112.9	L141 V145 L155 K184 L185 I186	L141-L188 HydrophobicContact CB-CD1 3.53Å; L141-L188 HydrophobicContact CD1-CD1 3.34Å; L141-L188 HydrophobicContact CD2-CD1 3.48Å; L141-L188 VanDerWaalsContact CD2-CD1 3.48Å; L141-L188 HydrophobicContact CG-CD1 3.55Å; V145-L188 HydrophobicContact CG2-CD2 3.94Å; L155-L188 HydrophobicContact CD1-CB 4.05Å; L155-L188 HydrophobicContact CD2-CB 4.46Å; K184-L188 WeakPolarHBondContact O-CG 3.45Å; L185-L188 PolarHBondContact O-N 2.91Å; I186-L188 PolarHBondContact O-N 3.22Å
189	M	67.9	Low	68.3	Low	10 Å²	10	31.3 Å²	31.3	5%	0.049	17%	0.173	C	C	.	.			trans	-74.1	128.7	176.8	-64.3	-169	79.6	0	0	109.7	L155 V156 L159 I186 L198 V238	L155-M189 HydrophobicContact CB-CG 4.48Å; L155-M189 HydrophobicContact CD1-CG 4.23Å; V156-M189 HydrophobicContact CG2-CE 3.74Å; L159-M189 HydrophobicContact CD1-CG 4.38Å; L159-M189 HydrophobicContact CD1-SD 3.44Å; L159-M189 WeakPolarHBondContact CD1-SD 3.4Å; I186-M189 WeakPolarHBondContact O-CB 3.3Å; I186-M189 PolarHBondContact O-N 3.08Å; M189-L198 HydrophobicContact CE-CD1 4.27Å; M189-L198 HydrophobicContact CE-CD2 4.11Å; M189-L198 HydrophobicContact SD-CD1 4.25Å; M189-L198 HydrophobicContact SD-CD2 3.53Å; M189-L198 VanDerWaalsContact SD-CD2 3.53Å; M189-V238 HydrophobicContact CB-CG2 4.29Å
190	P	57.1	Low	67.8	Low	70 Å²	70	38.6 Å²	38.6	46%	0.455	21%	0.208	S	C	.	.			trans	-70.3	-29.7	-176.2	21.7	-29.1	0	0	0	114.3
191	T	55	Low	67.5	Low	17 Å²	17	42.4 Å²	42.4	10%	0.104	23%	0.225	C	C	.	.			trans	-161.5	173.9	-168.9	21.1	0	0	0	0	119.2	S194 Y692 S693	T191-S194 PolarHBondContact O-OG 3.11Å; T191-Y692 WeakPolarHBondContact CB-O 3.32Å; T191-Y692 WeakPolarHBondContact CG2-O 3.15Å; T191-Y692 PolarHBondContact OG1-O 3.48Å; T191-S693 VanDerWaalsContact OG1-CA 3.26Å; T191-S693 WeakPolarHBondContact OG1-CA 3.38Å; T191-S693 PolarHBondContact OG1-N 3.07Å; T191-S693 VanDerWaalsContact OG1-N 3.11Å
192	I	49.7	Very low	67.7	Low	62 Å²	62	42.4 Å²	42.4	32%	0.318	23%	0.225	S	C	.	.	S	Bend	trans	-70.5	-32.2	-177	-49.6	180	0	0	0	114.3	S195 V238 F239	I192-S195 WeakPolarHBondContact O-CA 3.48Å; I192-S195 WeakPolarHBondContact O-CB 3.37Å; I192-S195 PolarHBondContact O-N 2.89Å; I192-S195 PolarHBondContact O-OG 3.06Å; I192-V238 WeakPolarHBondContact CG1-O 2.87Å; I192-F239 WeakPolarHBondContact CD1-O 3.3Å; I192-F239 HydrophobicContact CG2-CD1 3.94Å; I192-F239 HydrophobicContact CG2-CE1 4.33Å
193	D	46.6	Very low	67.5	Low	86 Å²	86	47.9 Å²	47.9	46%	0.46	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-35.7	-169.6	-89.5	-35.6	0	0	0	113.7	S195 K196 Y692	D193-S195 PolarHBondContact O-N 2.78Å; D193-K196 PolarHBondContact O-N 3.38Å; D193-K196 IonicContact OD1-NZ 2.68Å; D193-Y692 HydrophobicContact CB-CD1 4.35Å
194	S	47	Very low	67.4	Low	26 Å²	26	53.7 Å²	53.7	18%	0.182	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.5	168.2	50.7	0	0	0	0	112.8	E152 T191 K196	E152-S194 WeakPolarHBondContact OE1-CB 3.43Å; E152-S194 PolarHBondContact OE1-OG 3.28Å; T191-S194 PolarHBondContact O-OG 3.11Å; S194-K196 PolarHBondContact O-N 3.11Å
195	S	48.9	Very low	67.8	Low	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-77.5	-17.7	-178.7	86	0	0	0	0	114.4	I192 D193 G197 L198 L199 F239	I192-S195 WeakPolarHBondContact O-CA 3.48Å; I192-S195 WeakPolarHBondContact O-CB 3.37Å; I192-S195 PolarHBondContact O-N 2.89Å; I192-S195 PolarHBondContact O-OG 3.06Å; D193-S195 PolarHBondContact O-N 2.78Å; S195-G197 PolarHBondContact O-N 3.26Å; S195-L198 CarbonylContact O-C 3.56Å; S195-L198 WeakPolarHBondContact O-CB 3.19Å; S195-L198 PolarHBondContact O-N 3.45Å; S195-L198 VanDerWaalsContact O-N 3.16Å; S195-L199 WeakPolarHBondContact O-CB 3.5Å; S195-L199 PolarHBondContact O-N 2.65Å; S195-F239 WeakPolarHBondContact OG-CE1 3.25Å; S195-F239 WeakPolarHBondContact OG-CZ 3.36Å
196	K	52.6	Low	68	Low	155 Å²	155	52.6 Å²	52.6	67%	0.674	27%	0.271	S	S	*	.	H	α-helix	trans	-60.9	-45.9	178.9	-87.1	178.2	-178.5	157.6	0	111.8	D193 S194	D193-K196 PolarHBondContact O-N 3.38Å; D193-K196 IonicContact OD1-NZ 2.68Å; S194-K196 PolarHBondContact O-N 3.11Å
197	G	62.9	Low	68.1	Low	39 Å²	39	55.7 Å²	55.7	40%	0.402	29%	0.287	S	S	.	.	H	α-helix	trans	-72.1	-36.1	171.9	0	0	0	0	0	112.3	S195 L199 E200 H201	S195-G197 PolarHBondContact O-N 3.26Å; G197-L199 VanDerWaalsContact C-N 3.3Å; G197-L199 PolarHBondContact O-N 3.29Å; G197-E200 PolarHBondContact O-N 2.78Å; G197-H201 PolarHBondContact O-CD2 3.45Å; G197-H201 VanDerWaalsContact O-CD2 3.24Å
198	L	67.2	Low	68.5	Low	3 Å²	3	53.1 Å²	53.1	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-60.2	-37.5	178.4	-161.3	81.3	0	0	0	112.9	L159 M189 S195 E200 H201 L202	L159-L198 HydrophobicContact CB-CD1 4.02Å; L159-L198 HydrophobicContact CD1-CD1 3.73Å; L159-L198 HydrophobicContact CD1-CD2 4.24Å; M189-L198 HydrophobicContact CE-CD1 4.27Å; M189-L198 HydrophobicContact CE-CD2 4.11Å; M189-L198 HydrophobicContact SD-CD1 4.25Å; M189-L198 HydrophobicContact SD-CD2 3.53Å; M189-L198 VanDerWaalsContact SD-CD2 3.53Å; S195-L198 CarbonylContact O-C 3.56Å; S195-L198 WeakPolarHBondContact O-CB 3.19Å; S195-L198 PolarHBondContact O-N 3.45Å; S195-L198 VanDerWaalsContact O-N 3.16Å; L198-E200 VanDerWaalsContact C-N 3.26Å; L198-E200 PolarHBondContact O-N 3.44Å; L198-H201 CarbonylContact O-C 3.32Å; L198-H201 WeakPolarHBondContact O-CB 3.47Å; L198-H201 PolarHBondContact O-N 3.16Å; L198-H201 VanDerWaalsContact O-N 3.08Å; L198-L202 HydrophobicContact CB-CD1 4.45Å; L198-L202 HydrophobicContact CD2-CD1 3.49Å; L198-L202 VanDerWaalsContact CD2-CD1 3.49Å; L198-L202 HydrophobicContact CG-CD1 3.57Å; L198-L202 HydrophobicContact CG-CG 4.14Å; L198-L202 WeakPolarHBondContact O-CB 3.27Å; L198-L202 VanDerWaalsContact O-CG 3.32Å; L198-L202 WeakPolarHBondContact O-CG 3.5Å; L198-L202 PolarHBondContact O-N 3Å
199	L	72.9	Confident	69.2	Low	16 Å²	16	50.3 Å²	50.3	8%	0.084	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-31	-176.6	-164	146.4	0	0	0	111.7	S195 G197 L202 K203 F239 W244 N247 F248	S195-L199 WeakPolarHBondContact O-CB 3.5Å; S195-L199 PolarHBondContact O-N 2.65Å; G197-L199 VanDerWaalsContact C-N 3.3Å; G197-L199 PolarHBondContact O-N 3.29Å; L199-L202 PolarHBondContact O-N 3.45Å; L199-K203 PolarHBondContact O-N 3.41Å; L199-F239 HydrophobicContact CB-CZ 4.3Å; L199-F239 HydrophobicContact CD1-CE1 3.9Å; L199-F239 HydrophobicContact CD1-CE2 4.2Å; L199-F239 HydrophobicContact CD1-CZ 3.51Å; L199-F239 HydrophobicContact CG-CZ 4.41Å; L199-W244 HydrophobicContact CD1-CB 3.55Å; L199-N247 HydrophobicContact CD2-CB 3.88Å; L199-N247 WeakPolarHBondContact CD2-ND2 3.5Å; L199-F248 HydrophobicContact CD2-CE2 3.97Å; L199-F248 HydrophobicContact CD2-CZ 4.22Å
200	E	74	Confident	70	Confident	153 Å²	153	50.1 Å²	50.1	72%	0.715	26%	0.256	S	S	*	.	H	α-helix	trans	-64.8	-43.8	170.9	-63.3	-166.3	153.9	0	0	111.5	G197 L198 K203	G197-E200 PolarHBondContact O-N 2.78Å; L198-E200 VanDerWaalsContact C-N 3.26Å; L198-E200 PolarHBondContact O-N 3.44Å; E200-K203 VanDerWaalsContact O-CB 3.29Å; E200-K203 WeakPolarHBondContact O-CB 3.28Å; E200-K203 PolarHBondContact O-N 3.11Å
201	H	76.1	Confident	71.2	Confident	84 Å²	84	50.7 Å²	50.7	39%	0.389	26%	0.256	S	S	.	.	H	α-helix	trans	-66.9	-37.4	176.1	-65.5	-65.5	0	0	0	112.5	G197 L198 K203	G197-H201 PolarHBondContact O-CD2 3.45Å; G197-H201 VanDerWaalsContact O-CD2 3.24Å; L198-H201 CarbonylContact O-C 3.32Å; L198-H201 WeakPolarHBondContact O-CB 3.47Å; L198-H201 PolarHBondContact O-N 3.16Å; L198-H201 VanDerWaalsContact O-N 3.08Å; H201-K203 VanDerWaalsContact C-N 3.26Å; H201-K203 PolarHBondContact O-N 3.15Å
202	L	82.4	Confident	72.4	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-3.3	-178.6	-69.5	167.9	0	0	0	113.9	I186 L198 L199 H204 P205 I206 F231 L235	I186-L202 HydrophobicContact CD1-CD1 4.41Å; I186-L202 HydrophobicContact CD1-CD2 4.28Å; L198-L202 HydrophobicContact CB-CD1 4.45Å; L198-L202 HydrophobicContact CD2-CD1 3.49Å; L198-L202 VanDerWaalsContact CD2-CD1 3.49Å; L198-L202 HydrophobicContact CG-CD1 3.57Å; L198-L202 HydrophobicContact CG-CG 4.14Å; L198-L202 WeakPolarHBondContact O-CB 3.27Å; L198-L202 VanDerWaalsContact O-CG 3.32Å; L198-L202 WeakPolarHBondContact O-CG 3.5Å; L198-L202 PolarHBondContact O-N 3Å; L199-L202 PolarHBondContact O-N 3.45Å; L202-H204 VanDerWaalsContact C-N 3.27Å; L202-H204 PolarHBondContact O-N 2.84Å; L202-P205 VanDerWaalsContact O-CD 3.28Å; L202-P205 WeakPolarHBondContact O-CD 3.49Å; L202-I206 HydrophobicContact CB-CD1 3.79Å; L202-I206 HydrophobicContact CB-CG1 4.27Å; L202-I206 WeakPolarHBondContact O-CB 3.37Å; L202-I206 WeakPolarHBondContact O-CD1 3.39Å; L202-I206 WeakPolarHBondContact O-CG1 3.26Å; L202-I206 PolarHBondContact O-N 3.42Å; L202-F231 HydrophobicContact CD2-CE2 4.41Å; L202-F231 HydrophobicContact CD2-CZ 4.19Å; L202-L235 HydrophobicContact CD1-CD2 3.73Å
203	K	82.1	Confident	73.9	Confident	115 Å²	115	48.5 Å²	48.5	50%	0.5	25%	0.245	S	C	.	.	H	α-helix	trans	-51.7	-43.7	-178.6	-174.4	177.9	-177.4	172	0	112.9	L199 E200 H201 L207 F248	L199-K203 PolarHBondContact O-N 3.41Å; E200-K203 VanDerWaalsContact O-CB 3.29Å; E200-K203 WeakPolarHBondContact O-CB 3.28Å; E200-K203 PolarHBondContact O-N 3.11Å; H201-K203 VanDerWaalsContact C-N 3.26Å; H201-K203 PolarHBondContact O-N 3.15Å; K203-L207 HydrophobicContact CG-CD1 4.08Å; K203-L207 WeakPolarHBondContact O-CB 2.99Å; K203-L207 WeakPolarHBondContact O-CG 2.99Å; K203-L207 PolarHBondContact O-N 3.11Å; K203-F248 HydrophobicContact CB-CE1 4.4Å; K203-F248 HydrophobicContact CG-CE1 3.85Å; K203-F248 HydrophobicContact CG-CZ 4.42Å
204	H	83.1	Confident	75.4	Confident	123 Å²	123	48.6 Å²	48.6	57%	0.569	24%	0.241	S	C	*	.	H	α-helix	trans	-69.1	-52.3	-179.7	-74.7	-71.8	0	0	0	113	L202 I206 L207 F208	L202-H204 VanDerWaalsContact C-N 3.27Å; L202-H204 PolarHBondContact O-N 2.84Å; H204-I206 VanDerWaalsContact C-N 3.31Å; H204-I206 PolarHBondContact O-N 3.21Å; H204-L207 PolarHBondContact O-N 3.42Å; H204-F208 WeakPolarHBondContact O-CB 3.38Å; H204-F208 PolarHBondContact O-N 3.48Å
205	P	86.5	Confident	76.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-54.7	-41.4	171.4	-28.6	32.9	0	0	0	114.3	F166 L179 M182 L202 F208 C209 F231	F166-P205 HydrophobicContact CD1-CB 4.41Å; F166-P205 HydrophobicContact CD1-CG 3.85Å; F166-P205 HydrophobicContact CE1-CB 4.26Å; F166-P205 HydrophobicContact CE1-CG 4.2Å; F166-P205 HydrophobicContact CG-CG 4.08Å; F166-P205 HydrophobicContact CZ-CB 4.49Å; L179-P205 HydrophobicContact CD2-CB 4.32Å; M182-P205 HydrophobicContact CE-CG 3.88Å; M182-P205 HydrophobicContact SD-CB 4.03Å; M182-P205 HydrophobicContact SD-CG 3.82Å; L202-P205 VanDerWaalsContact O-CD 3.28Å; L202-P205 WeakPolarHBondContact O-CD 3.49Å; P205-F208 WeakPolarHBondContact O-CB 3.46Å; P205-F208 PolarHBondContact O-N 2.81Å; P205-C209 WeakPolarHBondContact O-CB 3.34Å; P205-C209 PolarHBondContact O-N 3.15Å; P205-C209 PolarHBondContact O-SG 3.44Å; P205-F231 HydrophobicContact CB-CE1 4.35Å; P205-F231 HydrophobicContact CB-CZ 3.86Å
206	I	86.3	Confident	76.4	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-63.1	-50.4	178.1	-71.2	166.5	0	0	0	110.7	L202 H204 F208 C209 L210 F231 L235 W244 F248	L202-I206 HydrophobicContact CB-CD1 3.79Å; L202-I206 HydrophobicContact CB-CG1 4.27Å; L202-I206 WeakPolarHBondContact O-CB 3.37Å; L202-I206 WeakPolarHBondContact O-CD1 3.39Å; L202-I206 WeakPolarHBondContact O-CG1 3.26Å; L202-I206 PolarHBondContact O-N 3.42Å; H204-I206 VanDerWaalsContact C-N 3.31Å; H204-I206 PolarHBondContact O-N 3.21Å; I206-F208 VanDerWaalsContact C-N 3.26Å; I206-F208 PolarHBondContact O-N 3.45Å; I206-C209 PolarHBondContact O-N 3.32Å; I206-C209 VanDerWaalsContact O-N 3.17Å; I206-L210 HydrophobicContact CG2-CD1 3.93Å; I206-L210 HydrophobicContact CG2-CG 4.37Å; I206-L210 WeakPolarHBondContact O-CG 3.22Å; I206-L210 PolarHBondContact O-N 3.03Å; I206-F231 HydrophobicContact CG1-CE1 3.98Å; I206-F231 HydrophobicContact CG1-CZ 4.34Å; I206-L235 HydrophobicContact CD1-CD1 4.05Å; I206-L235 HydrophobicContact CG1-CD1 3.77Å; I206-W244 HydrophobicContact CD1-CE3 4.22Å; I206-W244 HydrophobicContact CD1-CZ3 4.15Å; I206-W244 HydrophobicContact CG1-CZ3 4.22Å; I206-W244 HydrophobicContact CG2-CZ3 3.73Å; I206-F248 HydrophobicContact CB-CE1 4.12Å; I206-F248 HydrophobicContact CB-CE2 4.47Å; I206-F248 HydrophobicContact CB-CZ 3.86Å; I206-F248 HydrophobicContact CD1-CE2 3.91Å; I206-F248 HydrophobicContact CD1-CZ 3.64Å; I206-F248 HydrophobicContact CG1-CZ 4.35Å; I206-F248 HydrophobicContact CG2-CD1 4.14Å; I206-F248 HydrophobicContact CG2-CD2 4.17Å; I206-F248 HydrophobicContact CG2-CE1 3.69Å; I206-F248 HydrophobicContact CG2-CE2 3.76Å; I206-F248 HydrophobicContact CG2-CG 4.37Å; I206-F248 HydrophobicContact CG2-CZ 3.51Å
207	L	83.7	Confident	76.1	Confident	66 Å²	66	61.5 Å²	61.5	35%	0.346	29%	0.294	S	S	.	.	H	α-helix	trans	-61.1	-37.3	177.5	-74.3	171.8	0	0	0	111.8	K203 H204 N211 F248	K203-L207 HydrophobicContact CG-CD1 4.08Å; K203-L207 WeakPolarHBondContact O-CB 2.99Å; K203-L207 WeakPolarHBondContact O-CG 2.99Å; K203-L207 PolarHBondContact O-N 3.11Å; H204-L207 PolarHBondContact O-N 3.42Å; L207-N211 VanDerWaalsContact O-CB 3.31Å; L207-N211 WeakPolarHBondContact O-CB 3.46Å; L207-N211 PolarHBondContact O-N 3.48Å; L207-N211 PolarHBondContact O-ND2 2.97Å; L207-N211 VanDerWaalsContact O-ND2 3.12Å; L207-F248 HydrophobicContact CD2-CD1 3.94Å; L207-F248 HydrophobicContact CD2-CE1 4.39Å; L207-F248 HydrophobicContact CG-CD1 4.21Å; L207-F248 HydrophobicContact CG-CE1 4.15Å
208	F	85.3	Confident	75.7	Confident	29 Å²	29	62.3 Å²	62.3	13%	0.127	29%	0.287	C	S	.	.	H	α-helix	trans	-61.1	-49.9	173.1	171.9	-95.8	0	0	0	111.7	F166 P168 L175 W176 L179 H204 P205 I206 L210 N211 C212	F166-F208 HydrophobicContact CE1-CB 3.83Å; F166-F208 HydrophobicContact CE1-CD1 4.41Å; F166-F208 HydrophobicContact CE1-CG 4.08Å; F166-F208 HydrophobicContact CZ-CB 3.94Å; F166-F208 AromaticContact CZ-CD1 3.66Å; F166-F208 HydrophobicContact CZ-CD1 3.66Å; F166-F208 HydrophobicContact CZ-CD2 4.48Å; F166-F208 HydrophobicContact CZ-CE1 4.32Å; F166-F208 AromaticContact CZ-CG 3.75Å; F166-F208 HydrophobicContact CZ-CG 3.75Å; P168-F208 HydrophobicContact CB-CB 4.43Å; P168-F208 HydrophobicContact CB-CD2 3.79Å; P168-F208 HydrophobicContact CB-CG 4.42Å; L175-F208 HydrophobicContact CD2-CD2 4.28Å; L175-F208 HydrophobicContact CD2-CE1 3.97Å; L175-F208 HydrophobicContact CD2-CE2 3.43Å; L175-F208 VanDerWaalsContact CD2-CE2 3.43Å; L175-F208 HydrophobicContact CD2-CZ 3.23Å; L175-F208 HydrophobicContact CG-CE1 4.42Å; L175-F208 HydrophobicContact CG-CZ 4.14Å; W176-F208 AromaticContact CH2-CE1 3.97Å; W176-F208 HydrophobicContact CH2-CE1 3.97Å; W176-F208 AromaticContact CH2-CZ 3.93Å; W176-F208 HydrophobicContact CH2-CZ 3.93Å; W176-F208 HydrophobicContact CZ2-CZ 4.14Å; W176-F208 HydrophobicContact CZ3-CE1 4.06Å; W176-F208 HydrophobicContact CZ3-CZ 4.43Å; L179-F208 HydrophobicContact CD1-CD1 4.02Å; L179-F208 HydrophobicContact CD1-CE1 3.72Å; H204-F208 WeakPolarHBondContact O-CB 3.38Å; H204-F208 PolarHBondContact O-N 3.48Å; P205-F208 WeakPolarHBondContact O-CB 3.46Å; P205-F208 PolarHBondContact O-N 2.81Å; I206-F208 VanDerWaalsContact C-N 3.26Å; I206-F208 PolarHBondContact O-N 3.45Å; F208-L210 PolarHBondContact O-N 2.95Å; F208-N211 PolarHBondContact O-N 3.46Å; F208-C212 WeakPolarHBondContact CE1-SG 3.44Å; F208-C212 WeakPolarHBondContact CZ-SG 3.08Å; F208-C212 PolarHBondContact O-N 2.61Å; F208-C212 PolarHBondContact O-SG 2.86Å
209	C	86.3	Confident	74.5	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.1	-45.5	178.7	-71.4	0	0	0	0	111.6	P205 I206 N211 C212 L213 V228 F231	P205-C209 WeakPolarHBondContact O-CB 3.34Å; P205-C209 PolarHBondContact O-N 3.15Å; P205-C209 PolarHBondContact O-SG 3.44Å; I206-C209 PolarHBondContact O-N 3.32Å; I206-C209 VanDerWaalsContact O-N 3.17Å; C209-N211 PolarHBondContact O-N 3.48Å; C209-C212 WeakPolarHBondContact O-CB 3.48Å; C209-C212 PolarHBondContact O-N 3.01Å; C209-C212 VanDerWaalsContact O-N 3.14Å; C209-L213 WeakPolarHBondContact O-CG 3.5Å; C209-L213 PolarHBondContact O-N 3.3Å; C209-V228 HydrophobicContact CB-CG1 3.96Å; C209-F231 HydrophobicContact CB-CD1 4.28Å; C209-F231 WeakPolarHBondContact SG-CD1 3.39Å
210	L	84.1	Confident	73.1	Confident	6 Å²	6	75.3 Å²	75.3	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-41.9	175.1	-68.2	173.8	0	0	0	111.8	I206 F208 C212 L213 K214 L245 P257 L260 V261	I206-L210 HydrophobicContact CG2-CD1 3.93Å; I206-L210 HydrophobicContact CG2-CG 4.37Å; I206-L210 WeakPolarHBondContact O-CG 3.22Å; I206-L210 PolarHBondContact O-N 3.03Å; F208-L210 PolarHBondContact O-N 2.95Å; L210-C212 VanDerWaalsContact C-N 3.3Å; L210-C212 PolarHBondContact O-N 2.88Å; L210-L213 WeakPolarHBondContact O-CB 3.41Å; L210-L213 PolarHBondContact O-N 2.94Å; L210-L213 VanDerWaalsContact O-N 3.12Å; L210-K214 PolarHBondContact O-N 3.19Å; L210-L245 HydrophobicContact CD1-CD2 4.41Å; L210-L245 HydrophobicContact CD2-CD2 4.12Å; L210-P257 HydrophobicContact CD1-CB 4.23Å; L210-L260 HydrophobicContact CB-CD2 4.47Å; L210-L260 HydrophobicContact CD2-CD2 4.44Å; L210-L260 WeakPolarHBondContact O-CD2 3.28Å; L210-V261 HydrophobicContact CD2-CG2 3.99Å
211	N	81.7	Confident	72.3	Confident	83 Å²	83	70.8 Å²	70.8	44%	0.444	33%	0.328	S	S	.	.	H	α-helix	trans	-65.4	-33.4	175.3	-74.5	-28.4	0	0	0	112.6	L207 F208 C209 L213 K214 T215	L207-N211 VanDerWaalsContact O-CB 3.31Å; L207-N211 WeakPolarHBondContact O-CB 3.46Å; L207-N211 PolarHBondContact O-N 3.48Å; L207-N211 PolarHBondContact O-ND2 2.97Å; L207-N211 VanDerWaalsContact O-ND2 3.12Å; F208-N211 PolarHBondContact O-N 3.46Å; C209-N211 PolarHBondContact O-N 3.48Å; N211-L213 VanDerWaalsContact C-N 3.3Å; N211-K214 PolarHBondContact O-N 3.24Å; N211-T215 PolarHBondContact O-N 3.16Å; N211-T215 PolarHBondContact O-OG1 2.89Å
212	C	81.3	Confident	71.9	Confident	14 Å²	14	69.6 Å²	69.6	10%	0.095	33%	0.325	C	S	.	.	H	α-helix	trans	-64.6	-35.2	172	-67	0	0	0	0	111.7	F208 C209 L210 F218 V228	F208-C212 WeakPolarHBondContact CE1-SG 3.44Å; F208-C212 WeakPolarHBondContact CZ-SG 3.08Å; F208-C212 PolarHBondContact O-N 2.61Å; F208-C212 PolarHBondContact O-SG 2.86Å; C209-C212 WeakPolarHBondContact O-CB 3.48Å; C209-C212 PolarHBondContact O-N 3.01Å; C209-C212 VanDerWaalsContact O-N 3.14Å; L210-C212 VanDerWaalsContact C-N 3.3Å; L210-C212 PolarHBondContact O-N 2.88Å; C212-F218 HydrophobicContact CB-CZ 3.87Å; C212-F218 WeakPolarHBondContact O-CE2 3.31Å; C212-V228 HydrophobicContact CB-CG2 4.1Å
213	L	81.5	Confident	71.5	Confident	19 Å²	19	72.8 Å²	72.8	10%	0.099	34%	0.339	C	S	.	.	H	α-helix	trans	-69.1	-38.2	172.4	-59.3	-170.1	0	0	0	112.4	C209 L210 N211 F225 V228 L232 L260 V261 T264	C209-L213 WeakPolarHBondContact O-CG 3.5Å; C209-L213 PolarHBondContact O-N 3.3Å; L210-L213 WeakPolarHBondContact O-CB 3.41Å; L210-L213 PolarHBondContact O-N 2.94Å; L210-L213 VanDerWaalsContact O-N 3.12Å; N211-L213 VanDerWaalsContact C-N 3.3Å; L213-F225 HydrophobicContact CD2-CD2 4.44Å; L213-F225 HydrophobicContact CD2-CE2 3.73Å; L213-V228 HydrophobicContact CD2-CG1 3.73Å; L213-V228 HydrophobicContact CG-CG1 4.23Å; L213-L232 HydrophobicContact CD1-CD1 3.9Å; L213-L260 HydrophobicContact CB-CD1 4.28Å; L213-L260 HydrophobicContact CB-CD2 3.92Å; L213-L260 HydrophobicContact CB-CG 4.02Å; L213-V261 HydrophobicContact CD1-CG2 4.06Å; L213-T264 HydrophobicContact CD2-CG2 4.03Å
214	K	76.6	Confident	71.4	Confident	88 Å²	88	68.8 Å²	68.8	38%	0.383	32%	0.322	S	S	.	.	H	α-helix	trans	-67.3	-44.8	178.6	-67.8	-167.8	-177.7	-169.1	0	112.8	L210 N211 E256 L260	L210-K214 PolarHBondContact O-N 3.19Å; N211-K214 PolarHBondContact O-N 3.24Å; K214-E256 WeakPolarHBondContact CE-OE1 3.4Å; K214-E256 IonicContact NZ-OE1 3.26Å; K214-E256 PolarHBondContact NZ-OE1 3.29Å; K214-E256 IonicContact NZ-OE2 3.16Å; K214-E256 PolarHBondContact NZ-OE2 2.84Å; K214-L260 HydrophobicContact CB-CD1 4.46Å; K214-L260 HydrophobicContact CB-CD2 4.48Å; K214-L260 HydrophobicContact CD-CD2 4.27Å; K214-L260 HydrophobicContact CG-CD1 3.81Å; K214-L260 HydrophobicContact CG-CD2 3.35Å; K214-L260 HydrophobicContact CG-CG 4.2Å
215	T	65	Low	71.3	Confident	59 Å²	59	63.4 Å²	63.4	36%	0.362	30%	0.297	S	S	.	.	S	Bend	trans	-82.4	127.5	-176.9	57.2	0	0	0	0	108.5	N211 R217	N211-T215 PolarHBondContact O-N 3.16Å; N211-T215 PolarHBondContact O-OG1 2.89Å; T215-R217 PolarHBondContact O-N 3.11Å
216	K	53.7	Low	71.1	Confident	208 Å²	208	63.7 Å²	63.7	90%	0.904	30%	0.298	S	S	*	.			trans	-63.5	31.2	174.6	-67.8	-175.4	174.5	-177.2	0	113.6	F218	K216-F218 PolarHBondContact O-N 3.01Å
217	R	45.2	Very low	70.9	Confident	184 Å²	184	63.9 Å²	63.9	69%	0.694	30%	0.299	S	S	*	.			trans	-94.1	19.3	-157.7	-96.8	-169.9	178.1	177.1	2.5	115.6	T215 Y219	T215-R217 PolarHBondContact O-N 3.11Å; R217-Y219 HydrophobicContact CG-CD2 4.42Å; R217-Y219 HydrophobicContact CG-CE2 4.31Å; R217-Y219 PolarHBondContact O-N 2.76Å
218	F	55.1	Low	71.1	Confident	57 Å²	57	60.7 Å²	60.7	25%	0.25	28%	0.283	C	S	.	.			trans	-83	71.7	164.4	-53.9	-72.6	0	0	0	109.1	W176 C212 K216 S220 Q224 F225 V228	W176-F218 HydrophobicContact CH2-CE1 4.37Å; C212-F218 HydrophobicContact CB-CZ 3.87Å; C212-F218 WeakPolarHBondContact O-CE2 3.31Å; K216-F218 PolarHBondContact O-N 3.01Å; F218-S220 CarbonylContact C-O 3.56Å; F218-S220 VanDerWaalsContact C-O 3.27Å; F218-S220 PolarHBondContact O-N 2.72Å; F218-Q224 HydrophobicContact CD1-CB 4.07Å; F218-Q224 HydrophobicContact CE1-CB 4.12Å; F218-F225 HydrophobicContact CD1-CB 3.96Å; F218-F225 HydrophobicContact CD2-CB 4.18Å; F218-F225 AromaticContact CD2-CD2 3.85Å; F218-F225 HydrophobicContact CD2-CD2 3.85Å; F218-F225 HydrophobicContact CD2-CG 4.27Å; F218-F225 HydrophobicContact CE1-CB 4Å; F218-F225 HydrophobicContact CE1-CD2 4.29Å; F218-F225 HydrophobicContact CE2-CB 4.25Å; F218-F225 AromaticContact CE2-CD2 3.33Å; F218-F225 HydrophobicContact CE2-CD2 3.33Å; F218-F225 HydrophobicContact CE2-CE2 4.06Å; F218-F225 HydrophobicContact CE2-CG 4.15Å; F218-F225 HydrophobicContact CG-CB 4.04Å; F218-F225 HydrophobicContact CZ-CB 4.15Å; F218-F225 AromaticContact CZ-CD2 3.57Å; F218-F225 HydrophobicContact CZ-CD2 3.57Å; F218-F225 HydrophobicContact CZ-CE2 4.5Å; F218-F225 HydrophobicContact CZ-CG 4.34Å; F218-V228 HydrophobicContact CE1-CG2 4.41Å; F218-V228 HydrophobicContact CZ-CG2 4.24Å
219	Y	41.7	Very low	71.2	Confident	210 Å²	210	59.4 Å²	59.4	82%	0.824	28%	0.277	S	S	*	.	S	Bend	trans	-70.5	-18.4	-179.9	-91	-86.2	0	0	0	113.2	R217	R217-Y219 HydrophobicContact CG-CD2 4.42Å; R217-Y219 HydrophobicContact CG-CE2 4.31Å; R217-Y219 PolarHBondContact O-N 2.76Å
220	S	44.6	Very low	71.2	Confident	81 Å²	81	61.2 Å²	61.2	57%	0.566	29%	0.286	S	S	*	.	S	Bend	trans	-140	-175.4	158.9	45.6	0	0	0	0	105.1	F218	F218-S220 CarbonylContact C-O 3.56Å; F218-S220 VanDerWaalsContact C-O 3.27Å; F218-S220 PolarHBondContact O-N 2.72Å
221	I	55.8	Low	71.4	Confident	58 Å²	58	60.9 Å²	60.9	30%	0.297	28%	0.284	S	S	.	.			trans	81.6	69.8	160.3	-16.5	102.9	0	0	0	118.8	K223 Q224 F225	I221-K223 HydrophobicContact CG2-CB 3.56Å; I221-K223 PolarHBondContact O-N 3.31Å; I221-K223 VanDerWaalsContact O-N 3.09Å; I221-Q224 HydrophobicContact CB-CB 3.86Å; I221-Q224 HydrophobicContact CB-CG 3.82Å; I221-Q224 HydrophobicContact CD1-CG 4.2Å; I221-Q224 VanDerWaalsContact CD1-NE2 3.33Å; I221-Q224 HydrophobicContact CG1-CG 4.08Å; I221-Q224 HydrophobicContact CG2-CB 3.92Å; I221-Q224 HydrophobicContact CG2-CG 3.62Å; I221-Q224 PolarHBondContact O-N 3.04Å; I221-Q224 VanDerWaalsContact O-N 3.1Å; I221-F225 PolarHBondContact O-N 2.93Å
222	N	68.9	Low	71.8	Confident	59 Å²	59	57 Å²	57	32%	0.316	26%	0.264	S	S	.	.	H	α-helix	trans	-49	-30.7	152.3	-72.8	1.7	0	0	0	111	C226 I323 N324 I327	N222-C226 WeakPolarHBondContact O-CB 3.41Å; N222-C226 PolarHBondContact O-N 3.43Å; N222-I323 HydrophobicContact CB-CG2 3.64Å; N222-N324 PolarHBondContact ND2-OD1 3.45Å; N222-I327 HydrophobicContact CB-CD1 3.85Å; N222-I327 WeakPolarHBondContact O-CD1 3.27Å
223	K	73.6	Confident	72	Confident	69 Å²	69	56.6 Å²	56.6	30%	0.3	26%	0.26	S	S	.	.	H	α-helix	trans	-62.1	-44.4	174.9	-173.1	-176.4	-177.3	175.1	0	114	I221 C226 I227 L315 I323	I221-K223 HydrophobicContact CG2-CB 3.56Å; I221-K223 PolarHBondContact O-N 3.31Å; I221-K223 VanDerWaalsContact O-N 3.09Å; K223-C226 WeakPolarHBondContact O-CB 3.47Å; K223-C226 PolarHBondContact O-N 2.82Å; K223-I227 HydrophobicContact CG-CD1 4.27Å; K223-I227 VanDerWaalsContact O-CG1 3.24Å; K223-I227 WeakPolarHBondContact O-CG1 3.45Å; K223-I227 PolarHBondContact O-N 2.82Å; K223-L315 VanDerWaalsContact CE-O 3.29Å; K223-L315 WeakPolarHBondContact CE-O 3.47Å; K223-I323 HydrophobicContact CB-CD1 4.06Å
224	Q	78.8	Confident	72.2	Confident	30 Å²	30	55.7 Å²	55.7	14%	0.14	26%	0.255	C	S	.	.	H	α-helix	trans	-70	-41.5	179.6	-77.5	171.8	13.3	0	0	110.5	W176 F218 I221 C226 I227 V228	W176-Q224 HydrophobicContact CD2-CB 4.17Å; W176-Q224 HydrophobicContact CD2-CG 3.49Å; W176-Q224 VanDerWaalsContact CD2-CG 3.49Å; W176-Q224 HydrophobicContact CE3-CB 4.06Å; W176-Q224 HydrophobicContact CE3-CG 3.88Å; W176-Q224 HydrophobicContact CG-CG 3.93Å; W176-Q224 HydrophobicContact CH2-CB 3.74Å; W176-Q224 HydrophobicContact CH2-CG 3.99Å; W176-Q224 HydrophobicContact CZ2-CB 3.84Å; W176-Q224 HydrophobicContact CZ2-CG 3.61Å; W176-Q224 HydrophobicContact CZ3-CB 3.86Å; W176-Q224 HydrophobicContact CZ3-CG 4.12Å; F218-Q224 HydrophobicContact CD1-CB 4.07Å; F218-Q224 HydrophobicContact CE1-CB 4.12Å; I221-Q224 HydrophobicContact CB-CB 3.86Å; I221-Q224 HydrophobicContact CB-CG 3.82Å; I221-Q224 HydrophobicContact CD1-CG 4.2Å; I221-Q224 VanDerWaalsContact CD1-NE2 3.33Å; I221-Q224 HydrophobicContact CG1-CG 4.08Å; I221-Q224 HydrophobicContact CG2-CB 3.92Å; I221-Q224 HydrophobicContact CG2-CG 3.62Å; I221-Q224 PolarHBondContact O-N 3.04Å; I221-Q224 VanDerWaalsContact O-N 3.1Å; Q224-C226 VanDerWaalsContact C-N 3.3Å; Q224-C226 PolarHBondContact O-N 2.96Å; Q224-I227 WeakPolarHBondContact O-CB 3.33Å; Q224-I227 PolarHBondContact O-N 3.1Å; Q224-I227 VanDerWaalsContact O-N 3.16Å; Q224-V228 WeakPolarHBondContact O-CG2 3.24Å; Q224-V228 PolarHBondContact O-N 2.75Å
225	F	82.1	Confident	72.5	Confident	10 Å²	10	51.5 Å²	51.5	4%	0.044	24%	0.237	C	C	.	.	H	α-helix	trans	-61.2	-42.4	173.8	-174.6	-120.7	0	0	0	111.7	L213 F218 I221 I227 V228 L229 T264 E268 I327	L213-F225 HydrophobicContact CD2-CD2 4.44Å; L213-F225 HydrophobicContact CD2-CE2 3.73Å; F218-F225 HydrophobicContact CD1-CB 3.96Å; F218-F225 HydrophobicContact CD2-CB 4.18Å; F218-F225 AromaticContact CD2-CD2 3.85Å; F218-F225 HydrophobicContact CD2-CD2 3.85Å; F218-F225 HydrophobicContact CD2-CG 4.27Å; F218-F225 HydrophobicContact CE1-CB 4Å; F218-F225 HydrophobicContact CE1-CD2 4.29Å; F218-F225 HydrophobicContact CE2-CB 4.25Å; F218-F225 AromaticContact CE2-CD2 3.33Å; F218-F225 HydrophobicContact CE2-CD2 3.33Å; F218-F225 HydrophobicContact CE2-CE2 4.06Å; F218-F225 HydrophobicContact CE2-CG 4.15Å; F218-F225 HydrophobicContact CG-CB 4.04Å; F218-F225 HydrophobicContact CZ-CB 4.15Å; F218-F225 AromaticContact CZ-CD2 3.57Å; F218-F225 HydrophobicContact CZ-CD2 3.57Å; F218-F225 HydrophobicContact CZ-CE2 4.5Å; F218-F225 HydrophobicContact CZ-CG 4.34Å; I221-F225 PolarHBondContact O-N 2.93Å; F225-I227 VanDerWaalsContact C-N 3.33Å; F225-I227 PolarHBondContact O-N 2.94Å; F225-V228 PolarHBondContact O-N 3.27Å; F225-L229 HydrophobicContact CD1-CD1 3.93Å; F225-L229 HydrophobicContact CE1-CD1 3.4Å; F225-L229 VanDerWaalsContact CE1-CD1 3.4Å; F225-L229 HydrophobicContact CE1-CG 4.08Å; F225-L229 HydrophobicContact CE2-CD1 4.37Å; F225-L229 HydrophobicContact CE2-CD2 4.31Å; F225-L229 HydrophobicContact CE2-CG 4.15Å; F225-L229 HydrophobicContact CZ-CD1 3.64Å; F225-L229 HydrophobicContact CZ-CD2 3.96Å; F225-L229 HydrophobicContact CZ-CG 3.85Å; F225-L229 WeakPolarHBondContact O-CG 3.45Å; F225-L229 PolarHBondContact O-N 2.67Å; F225-T264 HydrophobicContact CE2-CG2 4.08Å; F225-T264 HydrophobicContact CZ-CG2 3.92Å; F225-E268 HydrophobicContact CE1-CB 4.41Å; F225-E268 HydrophobicContact CE1-CG 3.63Å; F225-E268 HydrophobicContact CZ-CG 3.59Å; F225-I327 HydrophobicContact CD1-CD1 4.27Å; F225-I327 HydrophobicContact CD1-CG1 4.49Å; F225-I327 HydrophobicContact CD1-CG2 4.19Å; F225-I327 HydrophobicContact CE1-CG2 4Å
226	C	81.8	Confident	73.4	Confident	6 Å²	6	48.7 Å²	48.7	4%	0.041	22%	0.22	C	C	.	.	H	α-helix	trans	-58.5	-42.6	172.7	-172.2	0	0	0	0	111.9	N222 K223 Q224 L229 Q230 I323 I327	N222-C226 WeakPolarHBondContact O-CB 3.41Å; N222-C226 PolarHBondContact O-N 3.43Å; K223-C226 WeakPolarHBondContact O-CB 3.47Å; K223-C226 PolarHBondContact O-N 2.82Å; Q224-C226 VanDerWaalsContact C-N 3.3Å; Q224-C226 PolarHBondContact O-N 2.96Å; C226-L229 PolarHBondContact O-N 3.44Å; C226-Q230 VanDerWaalsContact O-CB 3.29Å; C226-Q230 WeakPolarHBondContact O-CB 3.29Å; C226-Q230 WeakPolarHBondContact O-CG 3.46Å; C226-Q230 PolarHBondContact O-N 3.13Å; C226-I323 HydrophobicContact CB-CG2 4.05Å; C226-I327 HydrophobicContact CB-CD1 4.12Å; C226-I327 HydrophobicContact CB-CG1 3.63Å
227	I	83.1	Confident	74.5	Confident	5 Å²	5	41.2 Å²	41.2	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-61.7	-44.8	176.5	-68.1	161.9	0	0	0	110.5	W176 L179 I180 I183 K223 Q224 F225 L229 Q230 F231 L315	W176-I227 HydrophobicContact CB-CD1 4.12Å; W176-I227 HydrophobicContact CE3-CB 4.38Å; W176-I227 HydrophobicContact CE3-CD1 4.45Å; W176-I227 HydrophobicContact CE3-CG2 4.15Å; L179-I227 HydrophobicContact CB-CG2 3.64Å; L179-I227 HydrophobicContact CD1-CG2 4.29Å; I180-I227 HydrophobicContact CD1-CD1 3.74Å; I180-I227 HydrophobicContact CD1-CG1 4.29Å; I180-I227 HydrophobicContact CG1-CD1 3.88Å; I180-I227 HydrophobicContact CG1-CG1 3.96Å; I180-I227 HydrophobicContact CG1-CG2 4.3Å; I183-I227 HydrophobicContact CD1-CG2 3.94Å; I183-I227 WeakPolarHBondContact CD1-O 3.05Å; K223-I227 HydrophobicContact CG-CD1 4.27Å; K223-I227 VanDerWaalsContact O-CG1 3.24Å; K223-I227 WeakPolarHBondContact O-CG1 3.45Å; K223-I227 PolarHBondContact O-N 2.82Å; Q224-I227 WeakPolarHBondContact O-CB 3.33Å; Q224-I227 PolarHBondContact O-N 3.1Å; Q224-I227 VanDerWaalsContact O-N 3.16Å; F225-I227 VanDerWaalsContact C-N 3.33Å; F225-I227 PolarHBondContact O-N 2.94Å; I227-L229 PolarHBondContact O-N 2.7Å; I227-Q230 PolarHBondContact O-N 2.96Å; I227-F231 WeakPolarHBondContact O-CB 3.32Å; I227-F231 PolarHBondContact O-N 2.85Å; I227-L315 HydrophobicContact CG1-CD2 4.49Å
228	V	87	Confident	75.8	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.6	-48.8	176.3	174.7	0	0	0	0	110.8	W176 C209 C212 L213 F218 Q224 F225 F231 L232	W176-V228 HydrophobicContact CH2-CG2 4.22Å; W176-V228 HydrophobicContact CZ3-CG2 3.78Å; C209-V228 HydrophobicContact CB-CG1 3.96Å; C212-V228 HydrophobicContact CB-CG2 4.1Å; L213-V228 HydrophobicContact CD2-CG1 3.73Å; L213-V228 HydrophobicContact CG-CG1 4.23Å; F218-V228 HydrophobicContact CE1-CG2 4.41Å; F218-V228 HydrophobicContact CZ-CG2 4.24Å; Q224-V228 WeakPolarHBondContact O-CG2 3.24Å; Q224-V228 PolarHBondContact O-N 2.75Å; F225-V228 PolarHBondContact O-N 3.27Å; V228-F231 PolarHBondContact O-N 2.97Å; V228-L232 HydrophobicContact CG1-CD1 4.27Å; V228-L232 WeakPolarHBondContact O-CG 3.5Å; V228-L232 PolarHBondContact O-N 3.39Å; V228-L232 VanDerWaalsContact O-N 3.11Å
229	L	87.2	Confident	76.6	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-64	-43	179.6	-69.5	176	0	0	0	112.4	F225 C226 I227 F231 L232 V233 L265 I327 A330 C331 L334	F225-L229 HydrophobicContact CD1-CD1 3.93Å; F225-L229 HydrophobicContact CE1-CD1 3.4Å; F225-L229 VanDerWaalsContact CE1-CD1 3.4Å; F225-L229 HydrophobicContact CE1-CG 4.08Å; F225-L229 HydrophobicContact CE2-CD1 4.37Å; F225-L229 HydrophobicContact CE2-CD2 4.31Å; F225-L229 HydrophobicContact CE2-CG 4.15Å; F225-L229 HydrophobicContact CZ-CD1 3.64Å; F225-L229 HydrophobicContact CZ-CD2 3.96Å; F225-L229 HydrophobicContact CZ-CG 3.85Å; F225-L229 WeakPolarHBondContact O-CG 3.45Å; F225-L229 PolarHBondContact O-N 2.67Å; C226-L229 PolarHBondContact O-N 3.44Å; I227-L229 PolarHBondContact O-N 2.7Å; L229-F231 VanDerWaalsContact C-N 3.3Å; L229-F231 PolarHBondContact O-N 2.69Å; L229-L232 PolarHBondContact O-N 3.48Å; L229-L232 VanDerWaalsContact O-N 3.16Å; L229-V233 WeakPolarHBondContact O-CG2 3.5Å; L229-V233 PolarHBondContact O-N 2.97Å; L229-L265 HydrophobicContact CD2-CD2 4.24Å; L229-I327 HydrophobicContact CD1-CB 4.35Å; L229-I327 HydrophobicContact CD1-CG1 4.44Å; L229-I327 HydrophobicContact CD1-CG2 3.7Å; L229-A330 HydrophobicContact CB-CB 3.87Å; L229-C331 VanDerWaalsContact CD1-SG 3.58Å; L229-L334 HydrophobicContact CD2-CD1 4Å
230	Q	86.4	Confident	78	Confident	38 Å²	38	26.2 Å²	26.2	18%	0.178	14%	0.137	C	C	.	.	H	α-helix	trans	-64.9	-34.1	178.3	-72.4	-70.4	-25.6	0	0	112.1	I183 C226 I227 V233 A234 L315	I183-Q230 HydrophobicContact CD1-CB 3.98Å; C226-Q230 VanDerWaalsContact O-CB 3.29Å; C226-Q230 WeakPolarHBondContact O-CB 3.29Å; C226-Q230 WeakPolarHBondContact O-CG 3.46Å; C226-Q230 PolarHBondContact O-N 3.13Å; I227-Q230 PolarHBondContact O-N 2.96Å; Q230-V233 PolarHBondContact O-N 3.45Å; Q230-A234 VanDerWaalsContact O-CB 3.32Å; Q230-A234 WeakPolarHBondContact O-CB 3.15Å; Q230-A234 PolarHBondContact O-N 3.02Å; Q230-L315 HydrophobicContact CB-CD2 4.49Å; Q230-L315 HydrophobicContact CG-CD2 4.36Å
231	F	89.2	Confident	79.4	Confident	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.4	-45	170.9	-178.4	-102.4	0	0	0	112.1	L179 M182 I183 I186 L202 P205 I206 C209 I227 V228 L229 V233 A234 L235	L179-F231 HydrophobicContact CD2-CD2 4.2Å; L179-F231 HydrophobicContact CD2-CE2 4.37Å; L179-F231 HydrophobicContact CD2-CG 4.35Å; M182-F231 HydrophobicContact CB-CD2 4.43Å; M182-F231 HydrophobicContact CB-CE2 4.07Å; M182-F231 HydrophobicContact SD-CE2 4.34Å; I183-F231 HydrophobicContact CD1-CB 4.01Å; I183-F231 HydrophobicContact CG1-CB 3.81Å; I183-F231 HydrophobicContact CG1-CD2 4.03Å; I183-F231 HydrophobicContact CG1-CG 4.44Å; I186-F231 HydrophobicContact CD1-CD2 4.12Å; I186-F231 HydrophobicContact CD1-CE2 3.58Å; I186-F231 HydrophobicContact CD1-CZ 4.39Å; L202-F231 HydrophobicContact CD2-CE2 4.41Å; L202-F231 HydrophobicContact CD2-CZ 4.19Å; P205-F231 HydrophobicContact CB-CE1 4.35Å; P205-F231 HydrophobicContact CB-CZ 3.86Å; I206-F231 HydrophobicContact CG1-CE1 3.98Å; I206-F231 HydrophobicContact CG1-CZ 4.34Å; C209-F231 HydrophobicContact CB-CD1 4.28Å; C209-F231 WeakPolarHBondContact SG-CD1 3.39Å; I227-F231 WeakPolarHBondContact O-CB 3.32Å; I227-F231 PolarHBondContact O-N 2.85Å; V228-F231 PolarHBondContact O-N 2.97Å; L229-F231 VanDerWaalsContact C-N 3.3Å; L229-F231 PolarHBondContact O-N 2.69Å; F231-V233 VanDerWaalsContact C-N 3.34Å; F231-V233 PolarHBondContact O-N 3.31Å; F231-A234 PolarHBondContact O-N 3.24Å; F231-L235 HydrophobicContact CD1-CD1 3.93Å; F231-L235 HydrophobicContact CE1-CD1 3.45Å; F231-L235 VanDerWaalsContact CE1-CD1 3.45Å; F231-L235 HydrophobicContact CE1-CG 4.27Å; F231-L235 HydrophobicContact CZ-CD1 3.82Å; F231-L235 HydrophobicContact CZ-CD2 4.47Å; F231-L235 HydrophobicContact CZ-CG 4.3Å; F231-L235 WeakPolarHBondContact O-CG 3.39Å; F231-L235 PolarHBondContact O-N 2.69Å
232	L	89.1	Confident	80.5	Confident	2 Å²	2	20.3 Å²	20.3	1%	0.01	10%	0.1	C	C	.	.	H	α-helix	trans	-65.1	-38	176.4	-62.5	172	0	0	0	112.3	L213 V228 L229 S236 W244 L334	L213-L232 HydrophobicContact CD1-CD1 3.9Å; V228-L232 HydrophobicContact CG1-CD1 4.27Å; V228-L232 WeakPolarHBondContact O-CG 3.5Å; V228-L232 PolarHBondContact O-N 3.39Å; V228-L232 VanDerWaalsContact O-N 3.11Å; L229-L232 PolarHBondContact O-N 3.48Å; L229-L232 VanDerWaalsContact O-N 3.16Å; L232-S236 VanDerWaalsContact O-CB 3.32Å; L232-S236 WeakPolarHBondContact O-CB 3.38Å; L232-S236 PolarHBondContact O-N 3.21Å; L232-S236 PolarHBondContact O-OG 3.28Å; L232-W244 HydrophobicContact CD2-CH2 3.54Å; L232-W244 HydrophobicContact CD2-CZ2 4.06Å; L232-L334 HydrophobicContact CB-CD1 3.92Å; L232-L334 HydrophobicContact CB-CD2 4Å
233	V	86.5	Confident	80.7	Confident	4 Å²	4	21 Å²	21	2%	0.024	10%	0.1	C	C	.	.	H	α-helix	trans	-63.3	-49.2	173.2	170.7	0	0	0	0	110.4	L229 Q230 F231 L235 S236 N237 A330 L333 L334	L229-V233 WeakPolarHBondContact O-CG2 3.5Å; L229-V233 PolarHBondContact O-N 2.97Å; Q230-V233 PolarHBondContact O-N 3.45Å; F231-V233 VanDerWaalsContact C-N 3.34Å; F231-V233 PolarHBondContact O-N 3.31Å; V233-L235 VanDerWaalsContact C-N 3.3Å; V233-L235 PolarHBondContact O-N 3.33Å; V233-S236 CarbonylContact O-C 3.6Å; V233-S236 PolarHBondContact O-N 3.43Å; V233-N237 WeakPolarHBondContact CG1-ND2 3.28Å; V233-N237 WeakPolarHBondContact O-CB 3.45Å; V233-N237 PolarHBondContact O-N 3.31Å; V233-N237 PolarHBondContact O-OD1 2.88Å; V233-A330 HydrophobicContact CG2-CB 3.7Å; V233-L333 HydrophobicContact CG1-CD1 4.11Å; V233-L334 HydrophobicContact CG2-CD1 3.95Å; V233-L334 HydrophobicContact CG2-CD2 4.08Å; V233-L334 HydrophobicContact CG2-CG 3.64Å
234	A	83.9	Confident	80.9	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-56.8	-45.8	-179.9	0	0	0	0	0	111.4	I183 I186 N187 Q230 F231 N237 V238	I183-A234 HydrophobicContact CG2-CB 4.3Å; I186-A234 HydrophobicContact CB-CB 4.24Å; I186-A234 HydrophobicContact CG2-CB 3.77Å; I186-A234 WeakPolarHBondContact CG2-O 3.19Å; N187-A234 WeakPolarHBondContact OD1-CA 3.27Å; N187-A234 WeakPolarHBondContact OD1-CB 3.32Å; Q230-A234 VanDerWaalsContact O-CB 3.32Å; Q230-A234 WeakPolarHBondContact O-CB 3.15Å; Q230-A234 PolarHBondContact O-N 3.02Å; F231-A234 PolarHBondContact O-N 3.24Å; A234-N237 PolarHBondContact O-N 3.39Å; A234-V238 WeakPolarHBondContact O-CG2 3.42Å; A234-V238 PolarHBondContact O-N 3Å
235	L	84.7	Confident	81	Confident	1 Å²	1	16.5 Å²	16.5	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-59.4	-52.5	172.4	-68.4	174.9	0	0	0	111	I186 L202 I206 F231 V233 N237 V238 F239 W244	I186-L235 HydrophobicContact CD1-CD2 3.91Å; I186-L235 HydrophobicContact CG2-CD2 4.48Å; L202-L235 HydrophobicContact CD1-CD2 3.73Å; I206-L235 HydrophobicContact CD1-CD1 4.05Å; I206-L235 HydrophobicContact CG1-CD1 3.77Å; F231-L235 HydrophobicContact CD1-CD1 3.93Å; F231-L235 HydrophobicContact CE1-CD1 3.45Å; F231-L235 VanDerWaalsContact CE1-CD1 3.45Å; F231-L235 HydrophobicContact CE1-CG 4.27Å; F231-L235 HydrophobicContact CZ-CD1 3.82Å; F231-L235 HydrophobicContact CZ-CD2 4.47Å; F231-L235 HydrophobicContact CZ-CG 4.3Å; F231-L235 WeakPolarHBondContact O-CG 3.39Å; F231-L235 PolarHBondContact O-N 2.69Å; V233-L235 VanDerWaalsContact C-N 3.3Å; V233-L235 PolarHBondContact O-N 3.33Å; L235-N237 PolarHBondContact O-N 3.22Å; L235-V238 PolarHBondContact O-N 3.48Å; L235-V238 VanDerWaalsContact O-N 3.08Å; L235-F239 HydrophobicContact CB-CD2 4.46Å; L235-F239 HydrophobicContact CD2-CE2 4.36Å; L235-F239 WeakPolarHBondContact O-CB 3.49Å; L235-F239 WeakPolarHBondContact O-CD2 3.39Å; L235-F239 PolarHBondContact O-N 2.96Å; L235-W244 HydrophobicContact CB-CZ2 4.05Å; L235-W244 HydrophobicContact CD1-CE3 4.46Å; L235-W244 HydrophobicContact CD1-CH2 3.9Å; L235-W244 HydrophobicContact CD1-CZ2 4.1Å; L235-W244 HydrophobicContact CD1-CZ3 4.08Å
236	S	82.6	Confident	80.6	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.2	-29.5	-175.3	-54	0	0	0	0	112.8	L232 V233 F239 Q240 S241 L242 W244	L232-S236 VanDerWaalsContact O-CB 3.32Å; L232-S236 WeakPolarHBondContact O-CB 3.38Å; L232-S236 PolarHBondContact O-N 3.21Å; L232-S236 PolarHBondContact O-OG 3.28Å; V233-S236 CarbonylContact O-C 3.6Å; V233-S236 PolarHBondContact O-N 3.43Å; S236-F239 CarbonylContact O-C 3.27Å; S236-Q240 CarbonylContact O-C 3.59Å; S236-Q240 WeakPolarHBondContact O-CA 3.42Å; S236-Q240 PolarHBondContact O-N 3.14Å; S236-S241 PolarHBondContact O-N 3.34Å; S236-S241 VanDerWaalsContact O-N 3.08Å; S236-L242 VanDerWaalsContact OG-CD2 3.23Å; S236-L242 WeakPolarHBondContact OG-CD2 3.39Å; S236-W244 PolarHBondContact OG-NE1 3.45Å
237	N	77.7	Confident	80.2	Confident	50 Å²	50	21.8 Å²	21.8	27%	0.267	11%	0.112	S	C	.	.	H	α-helix	trans	-69.1	-46.2	172.2	-71.7	-9.2	0	0	0	111.2	V233 A234 L235 F239 Q240 Y337	V233-N237 WeakPolarHBondContact CG1-ND2 3.28Å; V233-N237 WeakPolarHBondContact O-CB 3.45Å; V233-N237 PolarHBondContact O-N 3.31Å; V233-N237 PolarHBondContact O-OD1 2.88Å; A234-N237 PolarHBondContact O-N 3.39Å; L235-N237 PolarHBondContact O-N 3.22Å; N237-F239 VanDerWaalsContact C-N 3.31Å; N237-F239 PolarHBondContact O-N 3.3Å; N237-Q240 VanDerWaalsContact O-CD 3.24Å; N237-Q240 WeakPolarHBondContact O-CG 3.19Å; N237-Q240 PolarHBondContact O-N 3Å; N237-Q240 PolarHBondContact O-NE2 3.37Å; N237-Y337 WeakPolarHBondContact OD1-CE2 3.21Å; N237-Y337 PolarHBondContact OD1-OH 2.96Å; N237-Y337 VanDerWaalsContact OD1-OH 3.12Å
238	V	72.4	Confident	79.8	Confident	12 Å²	12	22.3 Å²	22.3	7%	0.073	11%	0.114	C	C	.	.	H	α-helix	trans	-62.2	-42.5	176.3	170.7	0	0	0	0	110.7	I186 M189 I192 A234 L235 Q240	I186-V238 HydrophobicContact CG2-CB 4.37Å; I186-V238 HydrophobicContact CG2-CG2 3.52Å; I186-V238 VanDerWaalsContact O-CG2 3.23Å; I186-V238 WeakPolarHBondContact O-CG2 3.43Å; M189-V238 HydrophobicContact CB-CG2 4.29Å; I192-V238 WeakPolarHBondContact CG1-O 2.87Å; A234-V238 WeakPolarHBondContact O-CG2 3.42Å; A234-V238 PolarHBondContact O-N 3Å; L235-V238 PolarHBondContact O-N 3.48Å; L235-V238 VanDerWaalsContact O-N 3.08Å; V238-Q240 VanDerWaalsContact C-N 3.34Å
239	F	71.6	Confident	78.8	Confident	19 Å²	19	22.7 Å²	22.7	8%	0.083	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-6.6	179	-75	-79.1	0	0	0	114.6	I192 S195 L199 L235 S236 N237 S241 W244	I192-F239 WeakPolarHBondContact CD1-O 3.3Å; I192-F239 HydrophobicContact CG2-CD1 3.94Å; I192-F239 HydrophobicContact CG2-CE1 4.33Å; S195-F239 WeakPolarHBondContact OG-CE1 3.25Å; S195-F239 WeakPolarHBondContact OG-CZ 3.36Å; L199-F239 HydrophobicContact CB-CZ 4.3Å; L199-F239 HydrophobicContact CD1-CE1 3.9Å; L199-F239 HydrophobicContact CD1-CE2 4.2Å; L199-F239 HydrophobicContact CD1-CZ 3.51Å; L199-F239 HydrophobicContact CG-CZ 4.41Å; L235-F239 HydrophobicContact CB-CD2 4.46Å; L235-F239 HydrophobicContact CD2-CE2 4.36Å; L235-F239 WeakPolarHBondContact O-CB 3.49Å; L235-F239 WeakPolarHBondContact O-CD2 3.39Å; L235-F239 PolarHBondContact O-N 2.96Å; S236-F239 CarbonylContact O-C 3.27Å; N237-F239 VanDerWaalsContact C-N 3.31Å; N237-F239 PolarHBondContact O-N 3.3Å; F239-S241 WeakPolarHBondContact O-CB 3.23Å; F239-S241 PolarHBondContact O-N 3.12Å; F239-S241 PolarHBondContact O-OG 3.38Å; F239-W244 HydrophobicContact CB-CG 4.43Å; F239-W244 HydrophobicContact CD1-CB 4.01Å; F239-W244 HydrophobicContact CD2-CB 3.87Å; F239-W244 AromaticContact CD2-CD1 3.65Å; F239-W244 AromaticContact CD2-CG 3.83Å; F239-W244 HydrophobicContact CD2-CG 3.83Å; F239-W244 HydrophobicContact CE1-CB 4.1Å; F239-W244 HydrophobicContact CE2-CB 4.05Å; F239-W244 HydrophobicContact CE2-CG 4.3Å; F239-W244 HydrophobicContact CG-CB 3.9Å; F239-W244 AromaticContact CG-CD1 3.72Å; F239-W244 HydrophobicContact CG-CG 4.07Å; F239-W244 HydrophobicContact CZ-CB 4.16Å
240	Q	70.5	Confident	77.7	Confident	106 Å²	106	27 Å²	27	50%	0.495	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	38.7	31.1	-167.4	-67.4	-64.3	-21.6	0	0	114.1	S236 N237 V238 Y337	S236-Q240 CarbonylContact O-C 3.59Å; S236-Q240 WeakPolarHBondContact O-CA 3.42Å; S236-Q240 PolarHBondContact O-N 3.14Å; N237-Q240 VanDerWaalsContact O-CD 3.24Å; N237-Q240 WeakPolarHBondContact O-CG 3.19Å; N237-Q240 PolarHBondContact O-N 3Å; N237-Q240 PolarHBondContact O-NE2 3.37Å; V238-Q240 VanDerWaalsContact C-N 3.34Å; Q240-Y337 PolarHBondContact OE1-OH 2.86Å
241	S	75.1	Confident	76.2	Confident	12 Å²	12	34.1 Å²	34.1	8%	0.084	17%	0.173	C	C	.	.	S	Bend	trans	-171.1	164.3	-173.9	71.4	0	0	0	0	110.1	S236 F239 K243 W244 E341	S236-S241 PolarHBondContact O-N 3.34Å; S236-S241 VanDerWaalsContact O-N 3.08Å; F239-S241 WeakPolarHBondContact O-CB 3.23Å; F239-S241 PolarHBondContact O-N 3.12Å; F239-S241 PolarHBondContact O-OG 3.38Å; S241-K243 VanDerWaalsContact C-N 3.31Å; S241-K243 WeakPolarHBondContact OG-CB 3.16Å; S241-K243 PolarHBondContact OG-N 3.13Å; S241-W244 PolarHBondContact O-NE1 3.26Å; S241-E341 WeakPolarHBondContact CB-OE1 3.4Å
242	L	78.8	Confident	74.7	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	21%	0.205	C	C	.	.	S	Bend	trans	-89.5	4.6	167	-74.8	167	0	0	0	112.7	S236 W244 L245 F258 L334 C338 E341 L367	S236-L242 VanDerWaalsContact OG-CD2 3.23Å; S236-L242 WeakPolarHBondContact OG-CD2 3.39Å; L242-W244 HydrophobicContact CD2-CZ2 4.24Å; L242-W244 PolarHBondContact O-N 2.95Å; L242-W244 VanDerWaalsContact O-N 3.08Å; L242-L245 HydrophobicContact CB-CD1 4.19Å; L242-L245 HydrophobicContact CD2-CD1 3.88Å; L242-L245 VanDerWaalsContact O-CB 3.25Å; L242-L245 WeakPolarHBondContact O-CB 3.33Å; L242-L245 PolarHBondContact O-N 3.3Å; L242-F258 HydrophobicContact CD1-CE2 4.33Å; L242-L334 HydrophobicContact CD2-CD2 4.24Å; L242-C338 HydrophobicContact CD1-CB 4.16Å; L242-C338 WeakPolarHBondContact CD1-SG 3.43Å; L242-E341 HydrophobicContact CB-CG 4.2Å; L242-L367 HydrophobicContact CB-CD1 3.75Å; L242-L367 VanDerWaalsContact O-CD1 3.31Å; L242-L367 WeakPolarHBondContact O-CD1 3.37Å
243	K	73.5	Confident	73.5	Confident	73 Å²	73	42 Å²	42	32%	0.317	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-59.3	-26.6	-172.9	-72.4	-172.5	174.2	-172	0	113.5	S241 L245 G246 E341	S241-K243 VanDerWaalsContact C-N 3.31Å; S241-K243 WeakPolarHBondContact OG-CB 3.16Å; S241-K243 PolarHBondContact OG-N 3.13Å; K243-L245 PolarHBondContact O-N 3.17Å; K243-L245 VanDerWaalsContact O-N 3.13Å; K243-G246 WeakPolarHBondContact O-CA 3.44Å; K243-G246 PolarHBondContact O-N 3.34Å; K243-E341 WeakPolarHBondContact CE-OE2 3.42Å; K243-E341 VanDerWaalsContact CG-OE2 3.25Å; K243-E341 WeakPolarHBondContact CG-OE2 3.28Å
244	W	77.5	Confident	72.6	Confident	5 Å²	5	46.6 Å²	46.6	2%	0.019	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-56.3	-25.4	173.5	63.2	-98.1	0	0	0	112.8	L199 I206 L232 L235 S236 F239 S241 L242 G246 N247 F248	L199-W244 HydrophobicContact CD1-CB 3.55Å; I206-W244 HydrophobicContact CD1-CE3 4.22Å; I206-W244 HydrophobicContact CD1-CZ3 4.15Å; I206-W244 HydrophobicContact CG1-CZ3 4.22Å; I206-W244 HydrophobicContact CG2-CZ3 3.73Å; L232-W244 HydrophobicContact CD2-CH2 3.54Å; L232-W244 HydrophobicContact CD2-CZ2 4.06Å; L235-W244 HydrophobicContact CB-CZ2 4.05Å; L235-W244 HydrophobicContact CD1-CE3 4.46Å; L235-W244 HydrophobicContact CD1-CH2 3.9Å; L235-W244 HydrophobicContact CD1-CZ2 4.1Å; L235-W244 HydrophobicContact CD1-CZ3 4.08Å; S236-W244 PolarHBondContact OG-NE1 3.45Å; F239-W244 HydrophobicContact CB-CG 4.43Å; F239-W244 HydrophobicContact CD1-CB 4.01Å; F239-W244 HydrophobicContact CD2-CB 3.87Å; F239-W244 AromaticContact CD2-CD1 3.65Å; F239-W244 AromaticContact CD2-CG 3.83Å; F239-W244 HydrophobicContact CD2-CG 3.83Å; F239-W244 HydrophobicContact CE1-CB 4.1Å; F239-W244 HydrophobicContact CE2-CB 4.05Å; F239-W244 HydrophobicContact CE2-CG 4.3Å; F239-W244 HydrophobicContact CG-CB 3.9Å; F239-W244 AromaticContact CG-CD1 3.72Å; F239-W244 HydrophobicContact CG-CG 4.07Å; F239-W244 HydrophobicContact CZ-CB 4.16Å; S241-W244 PolarHBondContact O-NE1 3.26Å; L242-W244 HydrophobicContact CD2-CZ2 4.24Å; L242-W244 PolarHBondContact O-N 2.95Å; L242-W244 VanDerWaalsContact O-N 3.08Å; W244-G246 PolarHBondContact O-N 3.22Å; W244-N247 PolarHBondContact O-N 3.32Å; W244-F248 HydrophobicContact CE3-CE2 4.3Å; W244-F248 WeakPolarHBondContact O-CD2 3.38Å
245	L	80.2	Confident	72	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-64.8	-24.9	171.3	-73.2	171.1	0	0	0	112.8	L210 L242 K243 N247 F248 C249 P257 V261 L367	L210-L245 HydrophobicContact CD1-CD2 4.41Å; L210-L245 HydrophobicContact CD2-CD2 4.12Å; L242-L245 HydrophobicContact CB-CD1 4.19Å; L242-L245 HydrophobicContact CD2-CD1 3.88Å; L242-L245 VanDerWaalsContact O-CB 3.25Å; L242-L245 WeakPolarHBondContact O-CB 3.33Å; L242-L245 PolarHBondContact O-N 3.3Å; K243-L245 PolarHBondContact O-N 3.17Å; K243-L245 VanDerWaalsContact O-N 3.13Å; L245-N247 PolarHBondContact O-N 3.19Å; L245-F248 WeakPolarHBondContact O-CA 3.35Å; L245-F248 WeakPolarHBondContact O-CB 3.37Å; L245-F248 PolarHBondContact O-N 3.49Å; L245-C249 PolarHBondContact O-N 3.39Å; L245-C249 PolarHBondContact O-SG 3.5Å; L245-C249 VanDerWaalsContact O-SG 3.38Å; L245-P257 HydrophobicContact CD2-CB 4.34Å; L245-V261 HydrophobicContact CD1-CG2 4.14Å; L245-L367 HydrophobicContact CB-CD2 4.22Å
246	G	73.3	Confident	71.6	Confident	15 Å²	15	50.2 Å²	50.2	16%	0.155	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-56.9	-35.2	179.1	0	0	0	0	0	112.5	K243 W244 F248 C249	K243-G246 WeakPolarHBondContact O-CA 3.44Å; K243-G246 PolarHBondContact O-N 3.34Å; W244-G246 PolarHBondContact O-N 3.22Å; G246-F248 PolarHBondContact O-N 3.25Å; G246-F248 VanDerWaalsContact O-N 3.1Å; G246-C249 WeakPolarHBondContact O-CB 3.42Å; G246-C249 PolarHBondContact O-N 3.21Å
247	N	74	Confident	71.6	Confident	112 Å²	112	50.6 Å²	50.6	60%	0.599	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-65.2	-14.1	175.7	-67.5	-20.2	0	0	0	113.8	L199 W244 L245	L199-N247 HydrophobicContact CD2-CB 3.88Å; L199-N247 WeakPolarHBondContact CD2-ND2 3.5Å; W244-N247 PolarHBondContact O-N 3.32Å; L245-N247 PolarHBondContact O-N 3.19Å
248	F	75.1	Confident	71.7	Confident	17 Å²	17	48.2 Å²	48.2	8%	0.075	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-106.9	-10.9	176.5	-56.5	-92.8	0	0	0	111.9	L199 K203 I206 L207 W244 L245 G246 N250 P257	L199-F248 HydrophobicContact CD2-CE2 3.97Å; L199-F248 HydrophobicContact CD2-CZ 4.22Å; K203-F248 HydrophobicContact CB-CE1 4.4Å; K203-F248 HydrophobicContact CG-CE1 3.85Å; K203-F248 HydrophobicContact CG-CZ 4.42Å; I206-F248 HydrophobicContact CB-CE1 4.12Å; I206-F248 HydrophobicContact CB-CE2 4.47Å; I206-F248 HydrophobicContact CB-CZ 3.86Å; I206-F248 HydrophobicContact CD1-CE2 3.91Å; I206-F248 HydrophobicContact CD1-CZ 3.64Å; I206-F248 HydrophobicContact CG1-CZ 4.35Å; I206-F248 HydrophobicContact CG2-CD1 4.14Å; I206-F248 HydrophobicContact CG2-CD2 4.17Å; I206-F248 HydrophobicContact CG2-CE1 3.69Å; I206-F248 HydrophobicContact CG2-CE2 3.76Å; I206-F248 HydrophobicContact CG2-CG 4.37Å; I206-F248 HydrophobicContact CG2-CZ 3.51Å; L207-F248 HydrophobicContact CD2-CD1 3.94Å; L207-F248 HydrophobicContact CD2-CE1 4.39Å; L207-F248 HydrophobicContact CG-CD1 4.21Å; L207-F248 HydrophobicContact CG-CE1 4.15Å; W244-F248 HydrophobicContact CE3-CE2 4.3Å; W244-F248 WeakPolarHBondContact O-CD2 3.38Å; L245-F248 WeakPolarHBondContact O-CA 3.35Å; L245-F248 WeakPolarHBondContact O-CB 3.37Å; L245-F248 PolarHBondContact O-N 3.49Å; G246-F248 PolarHBondContact O-N 3.25Å; G246-F248 VanDerWaalsContact O-N 3.1Å; F248-N250 PolarHBondContact O-N 2.96Å; F248-P257 HydrophobicContact CB-CG 4.17Å; F248-P257 WeakPolarHBondContact O-CG 3.42Å
249	C	66.3	Low	72.2	Confident	7 Å²	7	48.9 Å²	48.9	5%	0.047	25%	0.251	C	S	.	.			trans	-82.6	83.6	174	-67	0	0	0	0	110.2	L245 G246 H370	L245-C249 PolarHBondContact O-N 3.39Å; L245-C249 PolarHBondContact O-SG 3.5Å; L245-C249 VanDerWaalsContact O-SG 3.38Å; G246-C249 WeakPolarHBondContact O-CB 3.42Å; G246-C249 PolarHBondContact O-N 3.21Å; C249-H370 HydrophobicContact CB-CB 3.98Å
250	N	64.2	Low	72.8	Confident	93 Å²	93	49.3 Å²	49.3	50%	0.497	25%	0.254	S	S	.	.			trans	-76.4	159.6	174.2	-68.7	-13.3	0	0	0	112.1	F248 T252 N253 H254	F248-N250 PolarHBondContact O-N 2.96Å; N250-T252 PolarHBondContact O-N 3.09Å; N250-N253 PolarHBondContact O-N 2.99Å; N250-H254 PolarHBondContact O-N 3.44Å
251	Q	54.8	Low	73.5	Confident	187 Å²	187	44.4 Å²	44.4	87%	0.874	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-28.1	173.7	-71.8	-176.6	-8.5	0	0	113.5	H254	Q251-H254 PolarHBondContact O-CE1 3.39Å; Q251-H254 PolarHBondContact O-ND1 3.45Å
252	T	56	Low	73.9	Confident	108 Å²	108	43.9 Å²	43.9	66%	0.663	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-25.4	177.3	55.2	0	0	0	0	113.7	N250 H254	N250-T252 PolarHBondContact O-N 3.09Å; T252-H254 PolarHBondContact O-CD2 3.34Å
253	N	64.3	Low	74.1	Confident	60 Å²	60	45.6 Å²	45.6	32%	0.321	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-7.1	-173.5	-63.4	7.5	0	0	0	111.5	N250 G255 E256	N250-N253 PolarHBondContact O-N 2.99Å; N253-G255 VanDerWaalsContact C-N 3.31Å; N253-G255 PolarHBondContact O-N 2.85Å; N253-G255 VanDerWaalsContact O-N 3.11Å; N253-E256 HydrophobicContact CB-CB 4.28Å; N253-E256 WeakPolarHBondContact O-CA 3.05Å; N253-E256 WeakPolarHBondContact O-CB 3.47Å; N253-E256 PolarHBondContact O-N 3.43Å
254	H	68.1	Low	74.7	Confident	100 Å²	100	43 Å²	43	46%	0.463	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	45	48.1	171.2	-58.2	-66.6	0	0	0	114.6	N250 Q251 T252 E256 H370 A371 T372	N250-H254 PolarHBondContact O-N 3.44Å; Q251-H254 PolarHBondContact O-CE1 3.39Å; Q251-H254 PolarHBondContact O-ND1 3.45Å; T252-H254 PolarHBondContact O-CD2 3.34Å; H254-E256 VanDerWaalsContact C-N 3.26Å; H254-E256 PolarHBondContact O-N 3.27Å; H254-H370 CarbonylContact C-O 2.99Å; H254-H370 WeakPolarHBondContact CA-O 3.08Å; H254-A371 WeakPolarHBondContact O-CA 3.28Å; H254-T372 HydrophobicContact CB-CG2 4.12Å
255	G	70.6	Confident	75.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	14.8	-179.8	0	0	0	0	0	115	N253 P257 F258 T259 H370	N253-G255 VanDerWaalsContact C-N 3.31Å; N253-G255 PolarHBondContact O-N 2.85Å; N253-G255 VanDerWaalsContact O-N 3.11Å; G255-P257 VanDerWaalsContact C-CD 3.45Å; G255-F258 PolarHBondContact O-N 3.15Å; G255-F258 VanDerWaalsContact O-N 3.14Å; G255-T259 PolarHBondContact O-N 2.81Å; G255-T259 PolarHBondContact O-OG1 2.87Å; G255-H370 PolarHBondContact N-O 3.26Å; G255-H370 VanDerWaalsContact N-O 3.12Å
256	E	78.2	Confident	75.2	Confident	77 Å²	77	43.4 Å²	43.4	36%	0.36	23%	0.231	S	C	.	.	H	α-helix	trans	-51.6	-42.8	178.2	-176.9	-165.6	-166.1	0	0	113.2	K214 N253 H254 F258 T259 L260	K214-E256 WeakPolarHBondContact CE-OE1 3.4Å; K214-E256 IonicContact NZ-OE1 3.26Å; K214-E256 PolarHBondContact NZ-OE1 3.29Å; K214-E256 IonicContact NZ-OE2 3.16Å; K214-E256 PolarHBondContact NZ-OE2 2.84Å; N253-E256 HydrophobicContact CB-CB 4.28Å; N253-E256 WeakPolarHBondContact O-CA 3.05Å; N253-E256 WeakPolarHBondContact O-CB 3.47Å; N253-E256 PolarHBondContact O-N 3.43Å; H254-E256 VanDerWaalsContact C-N 3.26Å; H254-E256 PolarHBondContact O-N 3.27Å; E256-F258 PolarHBondContact O-N 3.49Å; E256-T259 PolarHBondContact O-N 3.39Å; E256-L260 WeakPolarHBondContact O-CB 3.46Å; E256-L260 PolarHBondContact O-N 2.97Å
257	P	80.8	Confident	75.7	Confident	7 Å²	7	46.8 Å²	46.8	5%	0.045	25%	0.245	C	C	.	.	H	α-helix	trans	-58.4	-44.5	177.2	-24.6	34.2	0	0	0	113.1	L210 L245 F248 G255 L260 V261	L210-P257 HydrophobicContact CD1-CB 4.23Å; L245-P257 HydrophobicContact CD2-CB 4.34Å; F248-P257 HydrophobicContact CB-CG 4.17Å; F248-P257 WeakPolarHBondContact O-CG 3.42Å; G255-P257 VanDerWaalsContact C-CD 3.45Å; P257-L260 PolarHBondContact O-N 3Å; P257-V261 WeakPolarHBondContact O-CG2 3.36Å; P257-V261 PolarHBondContact O-N 2.95Å; P257-V261 VanDerWaalsContact O-N 3.1Å
258	F	81.3	Confident	76.1	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.3	-46.2	177	-179.9	-114.7	0	0	0	111.1	L242 G255 E256 L260 V261 V262 C338 L342 L367 I379	L242-F258 HydrophobicContact CD1-CE2 4.33Å; G255-F258 PolarHBondContact O-N 3.15Å; G255-F258 VanDerWaalsContact O-N 3.14Å; E256-F258 PolarHBondContact O-N 3.49Å; F258-L260 VanDerWaalsContact C-N 3.28Å; F258-L260 PolarHBondContact O-N 3.1Å; F258-V261 PolarHBondContact O-N 2.95Å; F258-V262 HydrophobicContact CD1-CG2 4.45Å; F258-V262 HydrophobicContact CD2-CG2 4.3Å; F258-V262 HydrophobicContact CE1-CG2 4.09Å; F258-V262 HydrophobicContact CE2-CG2 3.93Å; F258-V262 HydrophobicContact CZ-CG2 3.81Å; F258-V262 WeakPolarHBondContact O-CG2 3.39Å; F258-V262 PolarHBondContact O-N 2.82Å; F258-C338 HydrophobicContact CE2-CB 4.42Å; F258-L342 HydrophobicContact CE1-CD2 4.28Å; F258-L342 HydrophobicContact CZ-CD2 4.3Å; F258-L367 HydrophobicContact CD2-CB 4.39Å; F258-L367 HydrophobicContact CD2-CD1 3.87Å; F258-L367 HydrophobicContact CE2-CD1 4.09Å; F258-L367 HydrophobicContact CG-CB 4.32Å; F258-I379 HydrophobicContact CD1-CD1 3.88Å; F258-I379 HydrophobicContact CE1-CD1 4.01Å; F258-I379 HydrophobicContact CE1-CG2 4.37Å
259	T	81.3	Confident	76.5	Confident	26 Å²	26	42.5 Å²	42.5	16%	0.16	22%	0.221	C	C	.	.	H	α-helix	trans	-57.9	-42.1	177.5	-50.2	0	0	0	0	111.8	G255 E256 T263 T375 I379	G255-T259 PolarHBondContact O-N 2.81Å; G255-T259 PolarHBondContact O-OG1 2.87Å; E256-T259 PolarHBondContact O-N 3.39Å; T259-T263 VanDerWaalsContact O-CB 3.24Å; T259-T263 WeakPolarHBondContact O-CB 3.28Å; T259-T263 PolarHBondContact O-N 3.03Å; T259-T263 PolarHBondContact O-OG1 3.11Å; T259-T375 HydrophobicContact CG2-CG2 3.74Å; T259-T375 WeakPolarHBondContact OG1-CG2 3.4Å; T259-I379 HydrophobicContact CG2-CD1 4.3Å; T259-I379 HydrophobicContact CG2-CG1 4.21Å
260	L	84.1	Confident	77.2	Confident	29 Å²	29	49.2 Å²	49.2	15%	0.152	25%	0.246	C	C	.	.	H	α-helix	trans	-63	-47.3	177.6	175.1	69.3	0	0	0	111.4	L210 L213 K214 E256 P257 F258 T263 T264	L210-L260 HydrophobicContact CB-CD2 4.47Å; L210-L260 HydrophobicContact CD2-CD2 4.44Å; L210-L260 WeakPolarHBondContact O-CD2 3.28Å; L213-L260 HydrophobicContact CB-CD1 4.28Å; L213-L260 HydrophobicContact CB-CD2 3.92Å; L213-L260 HydrophobicContact CB-CG 4.02Å; K214-L260 HydrophobicContact CB-CD1 4.46Å; K214-L260 HydrophobicContact CB-CD2 4.48Å; K214-L260 HydrophobicContact CD-CD2 4.27Å; K214-L260 HydrophobicContact CG-CD1 3.81Å; K214-L260 HydrophobicContact CG-CD2 3.35Å; K214-L260 HydrophobicContact CG-CG 4.2Å; E256-L260 WeakPolarHBondContact O-CB 3.46Å; E256-L260 PolarHBondContact O-N 2.97Å; P257-L260 PolarHBondContact O-N 3Å; F258-L260 VanDerWaalsContact C-N 3.28Å; F258-L260 PolarHBondContact O-N 3.1Å; L260-T263 PolarHBondContact O-N 3.12Å; L260-T264 WeakPolarHBondContact O-CB 3.25Å; L260-T264 PolarHBondContact O-N 2.96Å; L260-T264 PolarHBondContact O-OG1 2.73Å
261	V	85.4	Confident	77.9	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.018	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-52.6	178	170.2	0	0	0	0	109.3	L210 L213 L245 P257 F258 T263 T264 L265	L210-V261 HydrophobicContact CD2-CG2 3.99Å; L213-V261 HydrophobicContact CD1-CG2 4.06Å; L245-V261 HydrophobicContact CD1-CG2 4.14Å; P257-V261 WeakPolarHBondContact O-CG2 3.36Å; P257-V261 PolarHBondContact O-N 2.95Å; P257-V261 VanDerWaalsContact O-N 3.1Å; F258-V261 PolarHBondContact O-N 2.95Å; V261-T263 PolarHBondContact O-N 3.03Å; V261-T264 PolarHBondContact O-N 2.85Å; V261-L265 HydrophobicContact CG1-CD1 3.66Å; V261-L265 HydrophobicContact CG1-CG 4.24Å; V261-L265 WeakPolarHBondContact O-CG 3.32Å; V261-L265 PolarHBondContact O-N 3.4Å
262	V	84.6	Confident	78.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.7	-46.6	179	177.8	0	0	0	0	111.8	F258 T264 L265 T266 C338 I379	F258-V262 HydrophobicContact CD1-CG2 4.45Å; F258-V262 HydrophobicContact CD2-CG2 4.3Å; F258-V262 HydrophobicContact CE1-CG2 4.09Å; F258-V262 HydrophobicContact CE2-CG2 3.93Å; F258-V262 HydrophobicContact CZ-CG2 3.81Å; F258-V262 WeakPolarHBondContact O-CG2 3.39Å; F258-V262 PolarHBondContact O-N 2.82Å; V262-T264 VanDerWaalsContact C-N 3.31Å; V262-T264 PolarHBondContact O-N 3.18Å; V262-L265 PolarHBondContact O-N 3.5Å; V262-T266 HydrophobicContact CG1-CG2 3.99Å; V262-T266 WeakPolarHBondContact O-CB 3.44Å; V262-T266 WeakPolarHBondContact O-CG2 3.46Å; V262-T266 PolarHBondContact O-N 3.22Å; V262-T266 PolarHBondContact O-OG1 3.49Å; V262-C338 HydrophobicContact CG2-CB 4.24Å; V262-I379 HydrophobicContact CG1-CG2 4.18Å; V262-I379 HydrophobicContact CG2-CG2 4.49Å
263	T	83.7	Confident	79.5	Confident	39 Å²	39	36.8 Å²	36.8	24%	0.239	18%	0.179	C	C	.	.	H	α-helix	trans	-62.9	-40	-179.9	-57.2	0	0	0	0	111.3	T259 L260 V261 T266 I267 Q382	T259-T263 VanDerWaalsContact O-CB 3.24Å; T259-T263 WeakPolarHBondContact O-CB 3.28Å; T259-T263 PolarHBondContact O-N 3.03Å; T259-T263 PolarHBondContact O-OG1 3.11Å; L260-T263 PolarHBondContact O-N 3.12Å; V261-T263 PolarHBondContact O-N 3.03Å; T263-T266 WeakPolarHBondContact CA-OG1 3.39Å; T263-T266 PolarHBondContact O-OG1 2.94Å; T263-I267 HydrophobicContact CG2-CD1 3.83Å; T263-I267 WeakPolarHBondContact O-CB 3.44Å; T263-I267 WeakPolarHBondContact O-CD1 3.34Å; T263-I267 WeakPolarHBondContact O-CG1 3.33Å; T263-I267 PolarHBondContact O-N 3.38Å; T263-I267 VanDerWaalsContact O-N 3.11Å; T263-Q382 VanDerWaalsContact CA-OE1 3.27Å; T263-Q382 PolarHBondContact OG1-NE2 3.25Å; T263-Q382 VanDerWaalsContact OG1-NE2 3.15Å; T263-Q382 PolarHBondContact OG1-OE1 2.85Å
264	T	85	Confident	79.6	Confident	18 Å²	18	36.2 Å²	36.2	11%	0.11	18%	0.177	C	C	.	.	H	α-helix	trans	-64.1	-50	176.1	-55.2	0	0	0	0	110.4	L213 F225 L260 V261 V262 T266 I267 E268	L213-T264 HydrophobicContact CD2-CG2 4.03Å; F225-T264 HydrophobicContact CE2-CG2 4.08Å; F225-T264 HydrophobicContact CZ-CG2 3.92Å; L260-T264 WeakPolarHBondContact O-CB 3.25Å; L260-T264 PolarHBondContact O-N 2.96Å; L260-T264 PolarHBondContact O-OG1 2.73Å; V261-T264 PolarHBondContact O-N 2.85Å; V262-T264 VanDerWaalsContact C-N 3.31Å; V262-T264 PolarHBondContact O-N 3.18Å; T264-T266 VanDerWaalsContact C-N 3.33Å; T264-T266 PolarHBondContact O-N 3.36Å; T264-I267 PolarHBondContact O-N 2.8Å; T264-E268 HydrophobicContact CG2-CG 4.22Å; T264-E268 WeakPolarHBondContact O-CB 3.47Å; T264-E268 VanDerWaalsContact O-CG 3.28Å; T264-E268 WeakPolarHBondContact O-CG 3.25Å; T264-E268 PolarHBondContact O-N 2.88Å
265	L	86.2	Confident	79	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-59.3	-44.4	-178.4	-66.3	170.7	0	0	0	111.8	L229 V261 V262 E268 L269 C331 L334	L229-L265 HydrophobicContact CD2-CD2 4.24Å; V261-L265 HydrophobicContact CG1-CD1 3.66Å; V261-L265 HydrophobicContact CG1-CG 4.24Å; V261-L265 WeakPolarHBondContact O-CG 3.32Å; V261-L265 PolarHBondContact O-N 3.4Å; V262-L265 PolarHBondContact O-N 3.5Å; L265-E268 PolarHBondContact O-N 3.4Å; L265-L269 VanDerWaalsContact O-CB 3.24Å; L265-L269 WeakPolarHBondContact O-CB 3.32Å; L265-L269 WeakPolarHBondContact O-CG 3.47Å; L265-L269 PolarHBondContact O-N 3.46Å; L265-C331 HydrophobicContact CD2-CB 4.11Å; L265-L334 HydrophobicContact CD1-CB 3.65Å; L265-L334 HydrophobicContact CD2-CB 3.75Å; L265-L334 HydrophobicContact CD2-CD1 3.91Å; L265-L334 HydrophobicContact CD2-CG 4.49Å; L265-L334 HydrophobicContact CG-CB 4.36Å
266	T	83.2	Confident	77.8	Confident	11 Å²	11	39.3 Å²	39.3	7%	0.067	19%	0.19	C	C	.	.	H	α-helix	trans	-66.8	-39.9	-179.2	56.4	0	0	0	0	111.6	V262 T263 T264 R270 F335 Q382 T386	V262-T266 HydrophobicContact CG1-CG2 3.99Å; V262-T266 WeakPolarHBondContact O-CB 3.44Å; V262-T266 WeakPolarHBondContact O-CG2 3.46Å; V262-T266 PolarHBondContact O-N 3.22Å; V262-T266 PolarHBondContact O-OG1 3.49Å; T263-T266 WeakPolarHBondContact CA-OG1 3.39Å; T263-T266 PolarHBondContact O-OG1 2.94Å; T264-T266 VanDerWaalsContact C-N 3.33Å; T264-T266 PolarHBondContact O-N 3.36Å; T266-R270 VanDerWaalsContact O-CB 3.25Å; T266-R270 WeakPolarHBondContact O-CB 3.38Å; T266-R270 PolarHBondContact O-N 2.97Å; T266-F335 HydrophobicContact CG2-CE2 4.15Å; T266-Q382 HydrophobicContact CG2-CB 4Å; T266-Q382 PolarHBondContact OG1-OE1 3.38Å; T266-T386 WeakPolarHBondContact CB-OG1 3.39Å; T266-T386 VanDerWaalsContact CG2-OG1 3.29Å; T266-T386 WeakPolarHBondContact CG2-OG1 3.45Å
267	I	82.4	Confident	75.6	Confident	87 Å²	87	40 Å²	40	45%	0.446	20%	0.204	S	C	.	.	H	α-helix	trans	-63.2	-48.7	173.3	-70	168.3	0	0	0	110.9	T263 T264 R270 L271	T263-I267 HydrophobicContact CG2-CD1 3.83Å; T263-I267 WeakPolarHBondContact O-CB 3.44Å; T263-I267 WeakPolarHBondContact O-CD1 3.34Å; T263-I267 WeakPolarHBondContact O-CG1 3.33Å; T263-I267 PolarHBondContact O-N 3.38Å; T263-I267 VanDerWaalsContact O-N 3.11Å; T264-I267 PolarHBondContact O-N 2.8Å; I267-R270 CarbonylContact O-C 3.59Å; I267-R270 WeakPolarHBondContact O-CB 3.49Å; I267-R270 PolarHBondContact O-N 3.2Å; I267-L271 HydrophobicContact CG2-CD1 3.95Å; I267-L271 HydrophobicContact CG2-CG 4.4Å; I267-L271 WeakPolarHBondContact O-CG 3.48Å; I267-L271 PolarHBondContact O-N 3.48Å
268	E	83.2	Confident	73.1	Confident	38 Å²	38	44.2 Å²	44.2	18%	0.178	23%	0.234	C	C	.	.	H	α-helix	trans	-69.4	-44.9	-176.1	-66.6	-62.5	144.2	0	0	111.6	F225 T264 L265 R270 L271 Y272	F225-E268 HydrophobicContact CE1-CB 4.41Å; F225-E268 HydrophobicContact CE1-CG 3.63Å; F225-E268 HydrophobicContact CZ-CG 3.59Å; T264-E268 HydrophobicContact CG2-CG 4.22Å; T264-E268 WeakPolarHBondContact O-CB 3.47Å; T264-E268 VanDerWaalsContact O-CG 3.28Å; T264-E268 WeakPolarHBondContact O-CG 3.25Å; T264-E268 PolarHBondContact O-N 2.88Å; L265-E268 PolarHBondContact O-N 3.4Å; E268-R270 PolarHBondContact O-N 3.36Å; E268-L271 PolarHBondContact O-N 3.36Å; E268-Y272 HydrophobicContact CB-CD2 4.31Å; E268-Y272 HydrophobicContact CB-CE2 4.39Å; E268-Y272 WeakPolarHBondContact O-CD2 3.26Å; E268-Y272 PolarHBondContact O-N 2.84Å; E268-Y272 VanDerWaalsContact OE2-CE2 3.23Å; E268-Y272 WeakPolarHBondContact OE2-CE2 3.37Å
269	L	83	Confident	70.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-54.6	-42.7	170.9	-73.2	172.4	0	0	0	110.4	L265 L273 L328 C331 L332 F335 T386	L265-L269 VanDerWaalsContact O-CB 3.24Å; L265-L269 WeakPolarHBondContact O-CB 3.32Å; L265-L269 WeakPolarHBondContact O-CG 3.47Å; L265-L269 PolarHBondContact O-N 3.46Å; L269-L273 HydrophobicContact CB-CD1 4.43Å; L269-L273 WeakPolarHBondContact O-CB 3.4Å; L269-L273 WeakPolarHBondContact O-CG 3.44Å; L269-L273 PolarHBondContact O-N 3.08Å; L269-L328 HydrophobicContact CD2-CD1 3.81Å; L269-C331 HydrophobicContact CD2-CB 3.66Å; L269-C331 HydrophobicContact CG-CB 3.92Å; L269-L332 HydrophobicContact CD2-CD2 3.8Å; L269-L332 HydrophobicContact CD2-CG 3.96Å; L269-F335 HydrophobicContact CD1-CB 3.98Å; L269-F335 HydrophobicContact CD1-CD1 4.2Å; L269-F335 HydrophobicContact CD1-CD2 4.43Å; L269-F335 HydrophobicContact CD1-CG 3.96Å; L269-T386 HydrophobicContact CB-CG2 4.36Å; L269-T386 HydrophobicContact CD1-CG2 3.84Å
270	R	81.5	Confident	68	Low	149 Å²	149	58.2 Å²	58.2	56%	0.562	30%	0.299	S	S	*	.	H	α-helix	trans	-60.4	-47.5	173.6	-169.8	174.8	-177.5	156.6	2.2	112.2	T266 I267 E268 T274 L389	T266-R270 VanDerWaalsContact O-CB 3.25Å; T266-R270 WeakPolarHBondContact O-CB 3.38Å; T266-R270 PolarHBondContact O-N 2.97Å; I267-R270 CarbonylContact O-C 3.59Å; I267-R270 WeakPolarHBondContact O-CB 3.49Å; I267-R270 PolarHBondContact O-N 3.2Å; E268-R270 PolarHBondContact O-N 3.36Å; R270-T274 HydrophobicContact CG-CG2 3.91Å; R270-T274 WeakPolarHBondContact O-CB 3.45Å; R270-T274 WeakPolarHBondContact O-CG2 3.33Å; R270-T274 PolarHBondContact O-N 3.37Å; R270-T274 PolarHBondContact O-OG1 3.4Å; R270-L389 HydrophobicContact CB-CD2 4.08Å; R270-L389 HydrophobicContact CG-CD2 4.31Å
271	L	77.4	Confident	65.3	Low	77 Å²	77	63.5 Å²	63.5	40%	0.403	33%	0.328	S	S	.	.	H	α-helix	trans	-62.2	-50.9	179.8	-70.3	171.4	0	0	0	111.9	I267 E268 Q275	I267-L271 HydrophobicContact CG2-CD1 3.95Å; I267-L271 HydrophobicContact CG2-CG 4.4Å; I267-L271 WeakPolarHBondContact O-CG 3.48Å; I267-L271 PolarHBondContact O-N 3.48Å; E268-L271 PolarHBondContact O-N 3.36Å; L271-Q275 VanDerWaalsContact O-CG 3.27Å; L271-Q275 WeakPolarHBondContact O-CG 3.33Å; L271-Q275 PolarHBondContact O-N 2.98Å
272	Y	73	Confident	62.4	Low	34 Å²	34	70.4 Å²	70.4	13%	0.133	36%	0.364	C	S	.	.	H	α-helix	trans	-69.9	-34.4	-176.9	-75	-75	0	0	0	112.9	E268 N324 I327	E268-Y272 HydrophobicContact CB-CD2 4.31Å; E268-Y272 HydrophobicContact CB-CE2 4.39Å; E268-Y272 WeakPolarHBondContact O-CD2 3.26Å; E268-Y272 PolarHBondContact O-N 2.84Å; E268-Y272 VanDerWaalsContact OE2-CE2 3.23Å; E268-Y272 WeakPolarHBondContact OE2-CE2 3.37Å; Y272-N324 HydrophobicContact CD1-CB 4.39Å; Y272-N324 HydrophobicContact CE1-CB 3.93Å; Y272-I327 HydrophobicContact CD2-CG2 3.92Å; Y272-I327 HydrophobicContact CE1-CG2 4.5Å; Y272-I327 HydrophobicContact CE2-CB 4.3Å; Y272-I327 HydrophobicContact CE2-CG2 3.3Å; Y272-I327 VanDerWaalsContact OH-CD1 3.3Å; Y272-I327 WeakPolarHBondContact OH-CD1 3.2Å
273	L	71.7	Confident	59.6	Low	16 Å²	16	75.8 Å²	75.8	8%	0.084	40%	0.402	C	S	.	.	H	α-helix	trans	-83.7	-33.1	179.4	-59.9	177.8	0	0	0	112.9	L269 L328 L389 L390 L393	L269-L273 HydrophobicContact CB-CD1 4.43Å; L269-L273 WeakPolarHBondContact O-CB 3.4Å; L269-L273 WeakPolarHBondContact O-CG 3.44Å; L269-L273 PolarHBondContact O-N 3.08Å; L273-L328 HydrophobicContact CD2-CD1 3.77Å; L273-L328 HydrophobicContact CD2-CD2 4.25Å; L273-L328 HydrophobicContact CG-CD1 4.24Å; L273-L389 HydrophobicContact CB-CD2 4.04Å; L273-L389 HydrophobicContact CB-CG 4.33Å; L273-L389 HydrophobicContact CD1-CD2 3.92Å; L273-L389 HydrophobicContact CD1-CG 4.27Å; L273-L390 HydrophobicContact CD1-CD2 3.77Å; L273-L393 HydrophobicContact CD1-CD2 4.27Å; L273-L393 HydrophobicContact CD2-CD1 4.41Å; L273-L393 HydrophobicContact CD2-CD2 3.52Å; L273-L393 HydrophobicContact CG-CD2 4.36Å
274	T	66.4	Low	57.2	Low	47 Å²	47	83.3 Å²	83.3	29%	0.288	43%	0.431	S	S	.	.	H	α-helix	trans	-85	-18.6	-178.2	62.6	0	0	0	0	114.9	R270 K276 S277 L389	R270-T274 HydrophobicContact CG-CG2 3.91Å; R270-T274 WeakPolarHBondContact O-CB 3.45Å; R270-T274 WeakPolarHBondContact O-CG2 3.33Å; R270-T274 PolarHBondContact O-N 3.37Å; R270-T274 PolarHBondContact O-OG1 3.4Å; T274-K276 PolarHBondContact O-N 2.96Å; T274-S277 WeakPolarHBondContact O-CB 3.23Å; T274-S277 PolarHBondContact O-N 3.38Å; T274-S277 PolarHBondContact O-OG 3.3Å; T274-L389 HydrophobicContact CG2-CD1 3.47Å; T274-L389 VanDerWaalsContact CG2-CD1 3.47Å
275	Q	56	Low	54.3	Low	70 Å²	70	89.5 Å²	89.5	33%	0.327	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-14.5	176	-86.8	179	12.3	0	0	113.4	L271 S277 C292	L271-Q275 VanDerWaalsContact O-CG 3.27Å; L271-Q275 WeakPolarHBondContact O-CG 3.33Å; L271-Q275 PolarHBondContact O-N 2.98Å; Q275-S277 VanDerWaalsContact C-N 3.31Å; Q275-S277 PolarHBondContact O-N 3.22Å; Q275-C292 VanDerWaalsContact OE1-CB 3.3Å; Q275-C292 PolarHBondContact OE1-SG 3.4Å
276	K	45.6	Very low	51.3	Low	95 Å²	95	94.8 Å²	94.8	41%	0.413	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-29.7	165.5	-89.6	-164.4	170	-161.3	0	114.6	T274 D413	T274-K276 PolarHBondContact O-N 2.96Å; K276-D413 IonicContact NZ-OD2 3.53Å; K276-D413 PolarHBondContact NZ-OD2 3.26Å
277	S	32.7	Very low	48.8	Very low	92 Å²	92	98.9 Å²	98.9	64%	0.643	53%	0.525	S	S	*	.	S	Bend	trans	-86	-27.2	-165.5	64.5	0	0	0	0	115.7	T274 Q275 K279	T274-S277 WeakPolarHBondContact O-CB 3.23Å; T274-S277 PolarHBondContact O-N 3.38Å; T274-S277 PolarHBondContact O-OG 3.3Å; Q275-S277 VanDerWaalsContact C-N 3.31Å; Q275-S277 PolarHBondContact O-N 3.22Å; S277-K279 PolarHBondContact O-N 2.93Å
278	S	27.6	Very low	46.1	Very low	96 Å²	96	102 Å²	102	67%	0.671	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-6.3	-167.3	67	0	0	0	0	115.2
279	K	28.5	Very low	43.3	Very low	170 Å²	170	107.2 Å²	107.2	74%	0.739	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	14.9	-174	-112.5	-178.7	-176	176.6	0	116.5	S277	S277-K279 PolarHBondContact O-N 2.93Å
280	N	27.8	Very low	40.6	Very low	149 Å²	149	111.4 Å²	111.4	80%	0.797	60%	0.597	S	S	*	*	S	Bend	trans	-92.4	3	175	-116.3	3.5	0	0	0	115.7
281	N	25.9	Very low	37.9	Very low	140 Å²	140	111.4 Å²	111.4	75%	0.749	60%	0.604	S	S	*	*	S	Bend	trans	-139.2	105.5	175.3	-75	-43.5	0	0	0	111.9
282	N	26	Very low	35.6	Very low	148 Å²	148	109.7 Å²	109.7	79%	0.791	60%	0.597	S	S	*	*			trans	77.5	120.6	155.7	-61.1	-30.7	0	0	0	120.2
283	S	25.9	Very low	33.6	Very low	113 Å²	113	109.9 Å²	109.9	79%	0.79	61%	0.606	S	S	*	*			trans	91.2	120.6	131.9	72.3	0	0	0	0	119.4	N285	S283-N285 PolarHBondContact O-N 3.47Å
284	K	32.4	Very low	31.8	Very low	197 Å²	197	114.8 Å²	114.8	86%	0.857	63%	0.632	S	S	*	*			trans	-37.9	113.4	152.5	-66.8	169	174.7	175.7	0	110.2
285	N	23.4	Very low	29.9	Very low	149 Å²	149	120.3 Å²	120.3	80%	0.797	65%	0.649	S	S	*	*			trans	177.3	133	135.9	-96.2	-16	0	0	0	113.6	S283	S283-N285 PolarHBondContact O-N 3.47Å
286	V	24.9	Very low	28.6	Very low	112 Å²	112	121.4 Å²	121.4	68%	0.679	66%	0.664	S	S	*	*			trans	75.5	102.5	143.3	-174.3	0	0	0	0	118.1
287	S	28.7	Very low	27.8	Very low	98 Å²	98	120.1 Å²	120.1	69%	0.685	68%	0.678	S	S	*	*	S	Bend	trans	9.4	134.6	144.5	56.5	0	0	0	0	119.4
288	N	26.1	Very low	27.7	Very low	153 Å²	153	121 Å²	121	82%	0.818	68%	0.684	S	S	*	*			trans	79.9	69.3	-179.5	-62.5	-3.9	0	0	0	114.1
289	N	24.4	Very low	27.6	Very low	146 Å²	146	125.3 Å²	125.3	78%	0.781	69%	0.694	S	S	*	*			trans	-147.6	123	157	-87.1	-39.1	0	0	0	110.2	Q291	N289-Q291 PolarHBondContact O-N 3.39Å
290	V	26.5	Very low	27.5	Very low	88 Å²	88	126.1 Å²	126.1	53%	0.533	70%	0.7	S	S	.	*			trans	-36.1	101.4	175.8	179.8	0	0	0	0	110.4	C292	V290-C292 VanDerWaalsContact C-N 3.27Å; V290-C292 PolarHBondContact O-N 2.89Å
291	Q	24.5	Very low	27.4	Very low	150 Å²	150	128.2 Å²	128.2	70%	0.701	71%	0.705	S	S	*	*			trans	-78.2	77.4	174.2	-78.8	172.4	-41.1	0	0	108.6	N289 A293	N289-Q291 PolarHBondContact O-N 3.39Å; Q291-A293 PolarHBondContact O-N 2.93Å; Q291-A293 VanDerWaalsContact O-N 3.09Å
292	C	30.8	Very low	27.3	Very low	40 Å²	40	130.6 Å²	130.6	27%	0.27	71%	0.709	S	S	.	*			trans	-78.1	71.6	155.2	-78.1	0	0	0	0	107.8	Q275 V290 N324	Q275-C292 VanDerWaalsContact OE1-CB 3.3Å; Q275-C292 PolarHBondContact OE1-SG 3.4Å; V290-C292 VanDerWaalsContact C-N 3.27Å; V290-C292 PolarHBondContact O-N 2.89Å; C292-N324 PolarHBondContact SG-ND2 2.83Å
293	A	29.8	Very low	27.2	Very low	38 Å²	38	129.8 Å²	129.8	31%	0.314	71%	0.709	S	S	.	*			trans	-110.4	112.3	166.1	0	0	0	0	0	106.2	Q291 Y295 L321	Q291-A293 PolarHBondContact O-N 2.93Å; Q291-A293 VanDerWaalsContact O-N 3.09Å; A293-Y295 HydrophobicContact CB-CD2 3.45Å; A293-Y295 VanDerWaalsContact CB-CD2 3.45Å; A293-Y295 HydrophobicContact CB-CE2 3.59Å; A293-Y295 PolarHBondContact O-N 3.13Å; A293-L321 WeakPolarHBondContact O-CD2 3.33Å
294	L	34	Very low	27.1	Very low	120 Å²	120	130.4 Å²	130.4	63%	0.628	71%	0.708	S	S	*	*			trans	-63.7	53.3	-180	-69.4	154	0	0	0	111.7	S296	L294-S296 PolarHBondContact O-N 3.25Å
295	Y	26.6	Very low	26.7	Very low	162 Å²	162	124 Å²	124	64%	0.635	70%	0.699	S	S	*	*			trans	-83	92.3	173.6	-78.9	-80.5	0	0	0	108.7	A293 G297	A293-Y295 HydrophobicContact CB-CD2 3.45Å; A293-Y295 VanDerWaalsContact CB-CD2 3.45Å; A293-Y295 HydrophobicContact CB-CE2 3.59Å; A293-Y295 PolarHBondContact O-N 3.13Å; Y295-G297 PolarHBondContact O-N 2.91Å
296	S	29.6	Very low	26.6	Very low	93 Å²	93	125 Å²	125	65%	0.65	70%	0.702	S	S	*	*			trans	-75.9	106.4	145.3	52.3	0	0	0	0	106.2	L294	L294-S296 PolarHBondContact O-N 3.25Å
297	G	28.2	Very low	26.5	Very low	69 Å²	69	124.1 Å²	124.1	71%	0.711	70%	0.7	S	S	*	*			trans	-59	140.9	-168.5	0	0	0	0	0	114.9	Y295	Y295-G297 PolarHBondContact O-N 2.91Å
298	S	29.3	Very low	26.3	Very low	110 Å²	110	124.2 Å²	124.2	77%	0.769	70%	0.701	S	S	*	*			trans	-104.5	71.7	157.9	61.6	0	0	0	0	109
299	E	26.4	Very low	26.3	Very low	187 Å²	187	124.5 Å²	124.5	87%	0.874	70%	0.698	S	S	*	*	S	Bend	trans	-146.6	109.7	159.8	-75.7	-161.4	163.9	0	0	107.9
300	E	26.5	Very low	26.5	Very low	187 Å²	187	121.8 Å²	121.8	87%	0.874	68%	0.683	S	S	*	*			trans	42.5	94.5	163.1	-62.9	-175.1	166.8	0	0	116.7	K302	E300-K302 VanDerWaalsContact C-N 3.32Å; E300-K302 PolarHBondContact O-N 2.77Å
301	E	24.8	Very low	26.7	Very low	192 Å²	192	122.9 Å²	122.9	90%	0.897	69%	0.694	S	S	*	*			trans	-45.3	89.9	162.3	-69.5	176.3	151.3	0	0	111.5	T303	E301-T303 VanDerWaalsContact C-N 3.34Å; E301-T303 PolarHBondContact O-N 3.48Å
302	K	24.9	Very low	27.2	Very low	191 Å²	191	118.1 Å²	118.1	83%	0.83	68%	0.675	S	S	*	*			trans	-75.2	103.2	143.4	-77.4	-175.7	-179.2	175.2	0	105.4	E300 V304	E300-K302 VanDerWaalsContact C-N 3.32Å; E300-K302 PolarHBondContact O-N 2.77Å; K302-V304 PolarHBondContact O-N 3.34Å
303	T	22.8	Very low	27.7	Very low	131 Å²	131	120 Å²	120	80%	0.804	68%	0.682	S	S	*	*			trans	-46.3	80	171.2	50.9	0	0	0	0	111.2	E301	E301-T303 VanDerWaalsContact C-N 3.34Å; E301-T303 PolarHBondContact O-N 3.48Å
304	V	25.6	Very low	28.2	Very low	125 Å²	125	120.5 Å²	120.5	76%	0.758	68%	0.679	S	S	*	*			trans	-83.9	107.3	155.9	-179.8	0	0	0	0	103.3	K302 I306	K302-V304 PolarHBondContact O-N 3.34Å; V304-I306 PolarHBondContact O-N 3.37Å
305	G	22	Very low	28.9	Very low	64 Å²	64	116.3 Å²	116.3	66%	0.66	66%	0.657	S	S	*	*			trans	-51.1	111.3	-175.8	0	0	0	0	0	110.1	S307	G305-S307 PolarHBondContact O-N 2.97Å
306	I	22.8	Very low	30	Very low	170 Å²	170	110.8 Å²	110.8	87%	0.872	64%	0.638	S	S	*	*			trans	-73.5	73.9	171.9	-53.4	167.9	0	0	0	105.7	V304 S308	V304-I306 PolarHBondContact O-N 3.37Å; I306-S308 PolarHBondContact O-N 3.47Å
307	S	22.5	Very low	31.1	Very low	92 Å²	92	108.2 Å²	108.2	64%	0.643	62%	0.62	S	S	*	*			trans	-62.4	129.1	154	51.1	0	0	0	0	105.4	G305 E309	G305-S307 PolarHBondContact O-N 2.97Å; S307-E309 VanDerWaalsContact C-N 3.29Å; S307-E309 PolarHBondContact O-N 3.23Å
308	S	24.1	Very low	32.5	Very low	101 Å²	101	109.7 Å²	109.7	71%	0.706	62%	0.619	S	S	*	*			trans	-42.9	95.6	174.6	51.3	0	0	0	0	109.5	I306 N310	I306-S308 PolarHBondContact O-N 3.47Å; S308-N310 PolarHBondContact O-N 3.2Å
309	E	26.7	Very low	34.1	Very low	158 Å²	158	107.9 Å²	107.9	74%	0.738	60%	0.601	S	S	*	*			trans	-62.9	106	179.8	-81.5	178.4	159.3	0	0	105.1	S307 C311	S307-E309 VanDerWaalsContact C-N 3.29Å; S307-E309 PolarHBondContact O-N 3.23Å; E309-C311 PolarHBondContact O-N 2.99Å
310	N	27.4	Very low	35.9	Very low	90 Å²	90	102.8 Å²	102.8	48%	0.481	58%	0.584	S	S	.	*			trans	-43.9	129.4	164.2	-77.2	-24.8	0	0	0	106.6	S308 T312 D313	S308-N310 PolarHBondContact O-N 3.2Å; N310-T312 VanDerWaalsContact CB-OG1 3.3Å; N310-T312 WeakPolarHBondContact CB-OG1 3.39Å; N310-T312 PolarHBondContact O-N 3.46Å; N310-D313 PolarHBondContact O-N 3.38Å
311	C	31.6	Very low	37.7	Very low	111 Å²	111	97.1 Å²	97.1	75%	0.75	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.2	-4.6	177.8	-71.9	0	0	0	0	114.3	E309 I314	E309-C311 PolarHBondContact O-N 2.99Å; C311-I314 HydrophobicContact CB-CD1 4.27Å
312	T	35.2	Very low	39.7	Very low	50 Å²	50	90.1 Å²	90.1	31%	0.307	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-25.9	-176	51.4	0	0	0	0	115.4	Q142 N310	Q142-T312 PolarHBondContact NE2-OG1 3.5Å; N310-T312 VanDerWaalsContact CB-OG1 3.3Å; N310-T312 WeakPolarHBondContact CB-OG1 3.39Å; N310-T312 PolarHBondContact O-N 3.46Å
313	D	40.2	Very low	41.6	Very low	79 Å²	79	81.8 Å²	81.8	42%	0.422	49%	0.494	S	S	.	.	S	Bend	trans	-87.4	-8.3	-177.3	-71.8	-16.3	0	0	0	113.7	N310 L315 I316	N310-D313 PolarHBondContact O-N 3.38Å; D313-L315 PolarHBondContact O-N 3.19Å; D313-I316 PolarHBondContact O-N 3Å
314	I	41.5	Very low	43.9	Very low	48 Å²	48	76.1 Å²	76.1	25%	0.246	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-67.5	-31.8	-169.7	-62.9	179.6	0	0	0	113.1	C311 I316 C317 V322 N326	C311-I314 HydrophobicContact CB-CD1 4.27Å; I314-I316 PolarHBondContact O-N 3.24Å; I314-C317 WeakPolarHBondContact O-CB 3.35Å; I314-C317 PolarHBondContact O-N 3.29Å; I314-C317 VanDerWaalsContact O-N 3.07Å; I314-V322 HydrophobicContact CG2-CG1 3.7Å; I314-N326 WeakPolarHBondContact CG2-ND2 3.49Å
315	L	48.1	Very low	46	Very low	32 Å²	32	75.2 Å²	75.2	17%	0.168	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-69.4	-18.3	179.4	-76.4	162.5	0	0	0	113.4	I180 I183 K223 I227 Q230 D313	I180-L315 HydrophobicContact CG2-CB 4.35Å; I180-L315 HydrophobicContact CG2-CD1 4.31Å; I183-L315 HydrophobicContact CG2-CD1 4.15Å; K223-L315 VanDerWaalsContact CE-O 3.29Å; K223-L315 WeakPolarHBondContact CE-O 3.47Å; I227-L315 HydrophobicContact CG1-CD2 4.49Å; Q230-L315 HydrophobicContact CB-CD2 4.49Å; Q230-L315 HydrophobicContact CG-CD2 4.36Å; D313-L315 PolarHBondContact O-N 3.19Å
316	I	50.4	Low	48.4	Very low	46 Å²	46	73.2 Å²	73.2	24%	0.236	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-90.5	-14.8	175.7	-54.1	177.6	0	0	0	110.4	T131 D313 I314 S318	T131-I316 HydrophobicContact CG2-CG2 4.03Å; D313-I316 PolarHBondContact O-N 3Å; I314-I316 PolarHBondContact O-N 3.24Å; I316-S318 PolarHBondContact O-N 3.16Å
317	C	52.8	Low	51.1	Low	40 Å²	40	65.1 Å²	65.1	27%	0.27	37%	0.374	S	S	.	.			trans	-61.1	131.3	-175.6	-164.9	0	0	0	0	111.9	I314 V322	I314-C317 WeakPolarHBondContact O-CB 3.35Å; I314-C317 PolarHBondContact O-N 3.29Å; I314-C317 VanDerWaalsContact O-N 3.07Å; C317-V322 HydrophobicContact CB-CG1 4.33Å
318	S	56.3	Low	53.9	Low	100 Å²	100	61.7 Å²	61.7	70%	0.699	35%	0.349	S	S	*	.			trans	-93.2	-5.6	179.4	-53.5	0	0	0	0	112.3	I316 P320	I316-S318 PolarHBondContact O-N 3.16Å; S318-P320 VanDerWaalsContact O-CD 3.27Å; S318-P320 WeakPolarHBondContact O-CD 3.45Å
319	D	62.7	Low	56.5	Low	71 Å²	71	59.2 Å²	59.2	38%	0.38	33%	0.326	S	S	.	.			trans	-71.8	116.2	-177.6	-171.1	-21.4	0	0	0	110.3	L321 V322 I323	D319-L321 PolarHBondContact O-N 2.92Å; D319-L321 WeakPolarHBondContact OD1-CB 3.39Å; D319-L321 PolarHBondContact OD1-N 3.33Å; D319-V322 HydrophobicContact CB-CB 4.22Å; D319-V322 HydrophobicContact CB-CG2 3.93Å; D319-V322 PolarHBondContact O-N 3.06Å; D319-I323 WeakPolarHBondContact O-CG1 3.21Å; D319-I323 PolarHBondContact O-N 3.39Å; D319-I323 VanDerWaalsContact O-N 3.1Å
320	P	65.8	Low	59.2	Low	80 Å²	80	51.7 Å²	51.7	52%	0.519	29%	0.291	S	S	.	.	H	α-helix	trans	-55.5	-33	177	-24.3	34.9	0	0	0	113.5	S318 I323 N324	S318-P320 VanDerWaalsContact O-CD 3.27Å; S318-P320 WeakPolarHBondContact O-CD 3.45Å; P320-I323 PolarHBondContact O-N 3.31Å; P320-N324 WeakPolarHBondContact O-CB 3.14Å; P320-N324 PolarHBondContact O-N 3.43Å; P320-N324 PolarHBondContact O-ND2 3.49Å; P320-N324 VanDerWaalsContact O-ND2 3.09Å; P320-N324 PolarHBondContact O-OD1 3.12Å
321	L	64.1	Low	62	Low	68 Å²	68	47.4 Å²	47.4	36%	0.356	27%	0.268	S	S	.	.	H	α-helix	trans	-67.3	-44.8	-178.7	-67.2	172.5	0	0	0	111.4	A293 D319 N324 R325	A293-L321 WeakPolarHBondContact O-CD2 3.33Å; D319-L321 PolarHBondContact O-N 2.92Å; D319-L321 WeakPolarHBondContact OD1-CB 3.39Å; D319-L321 PolarHBondContact OD1-N 3.33Å; L321-N324 PolarHBondContact O-N 2.95Å; L321-R325 WeakPolarHBondContact O-CB 3.35Å; L321-R325 PolarHBondContact O-N 3.33Å
322	V	65.6	Low	64.6	Low	45 Å²	45	42.1 Å²	42.1	27%	0.273	23%	0.232	S	C	.	.	H	α-helix	trans	-63.6	-45.4	176.7	177.4	0	0	0	0	109.9	I314 C317 D319 N324 R325 N326	I314-V322 HydrophobicContact CG2-CG1 3.7Å; C317-V322 HydrophobicContact CB-CG1 4.33Å; D319-V322 HydrophobicContact CB-CB 4.22Å; D319-V322 HydrophobicContact CB-CG2 3.93Å; D319-V322 PolarHBondContact O-N 3.06Å; V322-N324 PolarHBondContact O-N 3.2Å; V322-R325 PolarHBondContact O-N 3.26Å; V322-N326 PolarHBondContact O-N 2.89Å; V322-N326 PolarHBondContact O-ND2 2.99Å; V322-N326 VanDerWaalsContact O-ND2 3.14Å
323	I	65.4	Low	66.9	Low	16 Å²	16	41.4 Å²	41.4	8%	0.082	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-47.2	177.8	-65.4	163.9	0	0	0	111	N222 K223 C226 D319 P320 R325 N326 I327	N222-I323 HydrophobicContact CB-CG2 3.64Å; K223-I323 HydrophobicContact CB-CD1 4.06Å; C226-I323 HydrophobicContact CB-CG2 4.05Å; D319-I323 WeakPolarHBondContact O-CG1 3.21Å; D319-I323 PolarHBondContact O-N 3.39Å; D319-I323 VanDerWaalsContact O-N 3.1Å; P320-I323 PolarHBondContact O-N 3.31Å; I323-R325 VanDerWaalsContact C-N 3.33Å; I323-R325 PolarHBondContact O-N 3.09Å; I323-N326 PolarHBondContact O-N 2.77Å; I323-I327 HydrophobicContact CG2-CD1 3.85Å; I323-I327 HydrophobicContact CG2-CG1 4.43Å; I323-I327 VanDerWaalsContact O-CG1 3.31Å; I323-I327 WeakPolarHBondContact O-CG1 3.39Å; I323-I327 PolarHBondContact O-N 3.21Å
324	N	71.5	Confident	69.1	Low	12 Å²	12	37.7 Å²	37.7	6%	0.064	21%	0.206	C	C	.	.	H	α-helix	trans	-65.2	-37.9	-178.8	-67	-20.2	0	0	0	112.2	N222 Y272 C292 P320 L321 V322 N326 I327 L328	N222-N324 PolarHBondContact ND2-OD1 3.45Å; Y272-N324 HydrophobicContact CD1-CB 4.39Å; Y272-N324 HydrophobicContact CE1-CB 3.93Å; C292-N324 PolarHBondContact SG-ND2 2.83Å; P320-N324 WeakPolarHBondContact O-CB 3.14Å; P320-N324 PolarHBondContact O-N 3.43Å; P320-N324 PolarHBondContact O-ND2 3.49Å; P320-N324 VanDerWaalsContact O-ND2 3.09Å; P320-N324 PolarHBondContact O-OD1 3.12Å; L321-N324 PolarHBondContact O-N 2.95Å; V322-N324 PolarHBondContact O-N 3.2Å; N324-N326 VanDerWaalsContact C-N 3.34Å; N324-I327 PolarHBondContact O-N 2.85Å; N324-L328 PolarHBondContact O-N 3.49Å
325	R	69.8	Low	71.3	Confident	107 Å²	107	35.4 Å²	35.4	40%	0.404	20%	0.195	S	C	.	.	H	α-helix	trans	-61.3	-43.7	174	-175.1	-179.3	171.4	179.3	-5.6	111.4	L321 V322 I323 L328 E329 L428	L321-R325 WeakPolarHBondContact O-CB 3.35Å; L321-R325 PolarHBondContact O-N 3.33Å; V322-R325 PolarHBondContact O-N 3.26Å; I323-R325 VanDerWaalsContact C-N 3.33Å; I323-R325 PolarHBondContact O-N 3.09Å; R325-L328 WeakPolarHBondContact O-CB 2.93Å; R325-L328 PolarHBondContact O-N 3.02Å; R325-E329 PolarHBondContact O-N 3.48Å; R325-L428 HydrophobicContact CG-CD2 3.89Å
326	N	72.2	Confident	73	Confident	21 Å²	21	34.7 Å²	34.7	11%	0.112	19%	0.191	C	C	.	.	H	α-helix	trans	-70	-34.7	179.8	-62.6	-24.8	0	0	0	113	I314 V322 I323 N324 L328 E329 A330	I314-N326 WeakPolarHBondContact CG2-ND2 3.49Å; V322-N326 PolarHBondContact O-N 2.89Å; V322-N326 PolarHBondContact O-ND2 2.99Å; V322-N326 VanDerWaalsContact O-ND2 3.14Å; I323-N326 PolarHBondContact O-N 2.77Å; N324-N326 VanDerWaalsContact C-N 3.34Å; N326-L328 VanDerWaalsContact C-N 3.34Å; N326-E329 PolarHBondContact O-N 3.39Å; N326-A330 VanDerWaalsContact O-CB 3.22Å; N326-A330 WeakPolarHBondContact O-CB 3.49Å; N326-A330 PolarHBondContact O-N 2.59Å
327	I	80.3	Confident	74.5	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.3	-48.3	172.1	-70	165.9	0	0	0	109.2	N222 F225 C226 L229 Y272 I323 N324 E329 A330 C331	N222-I327 HydrophobicContact CB-CD1 3.85Å; N222-I327 WeakPolarHBondContact O-CD1 3.27Å; F225-I327 HydrophobicContact CD1-CD1 4.27Å; F225-I327 HydrophobicContact CD1-CG1 4.49Å; F225-I327 HydrophobicContact CD1-CG2 4.19Å; F225-I327 HydrophobicContact CE1-CG2 4Å; C226-I327 HydrophobicContact CB-CD1 4.12Å; C226-I327 HydrophobicContact CB-CG1 3.63Å; L229-I327 HydrophobicContact CD1-CB 4.35Å; L229-I327 HydrophobicContact CD1-CG1 4.44Å; L229-I327 HydrophobicContact CD1-CG2 3.7Å; Y272-I327 HydrophobicContact CD2-CG2 3.92Å; Y272-I327 HydrophobicContact CE1-CG2 4.5Å; Y272-I327 HydrophobicContact CE2-CB 4.3Å; Y272-I327 HydrophobicContact CE2-CG2 3.3Å; Y272-I327 VanDerWaalsContact OH-CD1 3.3Å; Y272-I327 WeakPolarHBondContact OH-CD1 3.2Å; I323-I327 HydrophobicContact CG2-CD1 3.85Å; I323-I327 HydrophobicContact CG2-CG1 4.43Å; I323-I327 VanDerWaalsContact O-CG1 3.31Å; I323-I327 WeakPolarHBondContact O-CG1 3.39Å; I323-I327 PolarHBondContact O-N 3.21Å; N324-I327 PolarHBondContact O-N 2.85Å; I327-E329 PolarHBondContact O-N 3.29Å; I327-A330 PolarHBondContact O-N 3.07Å; I327-C331 VanDerWaalsContact O-CB 3.32Å; I327-C331 WeakPolarHBondContact O-CB 3.48Å; I327-C331 PolarHBondContact O-N 3.48Å; I327-C331 PolarHBondContact O-SG 2.82Å
328	L	79.5	Confident	76	Confident	21 Å²	21	31.6 Å²	31.6	11%	0.11	17%	0.17	C	C	.	.	H	α-helix	trans	-60.1	-45.7	178.3	179.4	61.2	0	0	0	111.9	L269 L273 N324 R325 N326 C331 L332 L428	L269-L328 HydrophobicContact CD2-CD1 3.81Å; L273-L328 HydrophobicContact CD2-CD1 3.77Å; L273-L328 HydrophobicContact CD2-CD2 4.25Å; L273-L328 HydrophobicContact CG-CD1 4.24Å; N324-L328 PolarHBondContact O-N 3.49Å; R325-L328 WeakPolarHBondContact O-CB 2.93Å; R325-L328 PolarHBondContact O-N 3.02Å; N326-L328 VanDerWaalsContact C-N 3.34Å; L328-C331 PolarHBondContact O-N 2.94Å; L328-L332 HydrophobicContact CD1-CD1 4.32Å; L328-L332 HydrophobicContact CD1-CG 4.39Å; L328-L332 HydrophobicContact CG-CD1 4.23Å; L328-L332 WeakPolarHBondContact O-CG 3.29Å; L328-L332 PolarHBondContact O-N 3.46Å; L328-L428 HydrophobicContact CD2-CD2 4.2Å; L328-L428 HydrophobicContact CG-CD1 4.45Å
329	E	79.8	Confident	77.2	Confident	49 Å²	49	26.8 Å²	26.8	23%	0.229	14%	0.137	C	C	.	.	H	α-helix	trans	-60.9	-49.2	177.3	-167.9	168.5	168.1	0	0	112.1	R325 N326 I327 C331 L332 L333 L428	R325-E329 PolarHBondContact O-N 3.48Å; N326-E329 PolarHBondContact O-N 3.39Å; I327-E329 PolarHBondContact O-N 3.29Å; E329-C331 VanDerWaalsContact C-N 3.29Å; E329-C331 PolarHBondContact O-N 3.25Å; E329-L332 PolarHBondContact O-N 3.16Å; E329-L333 HydrophobicContact CG-CD1 4.35Å; E329-L333 WeakPolarHBondContact O-CG 3.23Å; E329-L333 PolarHBondContact O-N 3.45Å; E329-L428 HydrophobicContact CB-CD1 3.76Å; E329-L428 HydrophobicContact CG-CD1 4.04Å
330	A	83.8	Confident	78	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.1	-40.1	177.2	0	0	0	0	0	111.8	L229 V233 N326 I327 L334	L229-A330 HydrophobicContact CB-CB 3.87Å; V233-A330 HydrophobicContact CG2-CB 3.7Å; N326-A330 VanDerWaalsContact O-CB 3.22Å; N326-A330 WeakPolarHBondContact O-CB 3.49Å; N326-A330 PolarHBondContact O-N 2.59Å; I327-A330 PolarHBondContact O-N 3.07Å; A330-L334 WeakPolarHBondContact O-CB 3.22Å; A330-L334 VanDerWaalsContact O-CG 3.29Å; A330-L334 WeakPolarHBondContact O-CG 3.47Å; A330-L334 PolarHBondContact O-N 2.88Å
331	C	86.5	Confident	78.5	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.2	-41.7	176.5	-75	0	0	0	0	112.3	L229 L265 L269 I327 L328 E329 F335	L229-C331 VanDerWaalsContact CD1-SG 3.58Å; L265-C331 HydrophobicContact CD2-CB 4.11Å; L269-C331 HydrophobicContact CD2-CB 3.66Å; L269-C331 HydrophobicContact CG-CB 3.92Å; I327-C331 VanDerWaalsContact O-CB 3.32Å; I327-C331 WeakPolarHBondContact O-CB 3.48Å; I327-C331 PolarHBondContact O-N 3.48Å; I327-C331 PolarHBondContact O-SG 2.82Å; L328-C331 PolarHBondContact O-N 2.94Å; E329-C331 VanDerWaalsContact C-N 3.29Å; E329-C331 PolarHBondContact O-N 3.25Å; C331-F335 WeakPolarHBondContact O-CB 3.27Å; C331-F335 PolarHBondContact O-N 2.77Å
332	L	85.1	Confident	79	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-66.5	-45.6	177.9	-71.3	168.2	0	0	0	111.6	L269 L328 E329 F335 Q336 L390 L428 V431 L432 T435	L269-L332 HydrophobicContact CD2-CD2 3.8Å; L269-L332 HydrophobicContact CD2-CG 3.96Å; L328-L332 HydrophobicContact CD1-CD1 4.32Å; L328-L332 HydrophobicContact CD1-CG 4.39Å; L328-L332 HydrophobicContact CG-CD1 4.23Å; L328-L332 WeakPolarHBondContact O-CG 3.29Å; L328-L332 PolarHBondContact O-N 3.46Å; E329-L332 PolarHBondContact O-N 3.16Å; L332-F335 PolarHBondContact O-N 3.07Å; L332-Q336 WeakPolarHBondContact O-CB 3.42Å; L332-Q336 PolarHBondContact O-N 2.78Å; L332-L390 HydrophobicContact CD2-CD2 4.08Å; L332-L428 HydrophobicContact CD1-CD1 3.83Å; L332-V431 HydrophobicContact CB-CG1 3.67Å; L332-V431 HydrophobicContact CD1-CG1 4.44Å; L332-L432 HydrophobicContact CD1-CB 4.19Å; L332-L432 HydrophobicContact CD1-CD1 4.04Å; L332-L432 HydrophobicContact CD2-CD1 3.93Å; L332-T435 HydrophobicContact CD2-CG2 4.22Å; L332-T435 PolarHBondContact O-OG1 2.91Å
333	L	83.1	Confident	79.1	Confident	35 Å²	35	19.8 Å²	19.8	18%	0.183	9%	0.091	C	C	.	.	H	α-helix	trans	-60.6	-48	177.2	-72	171.9	0	0	0	111.9	V233 E329 F335 Q336 Y337 V431	V233-L333 HydrophobicContact CG1-CD1 4.11Å; E329-L333 HydrophobicContact CG-CD1 4.35Å; E329-L333 WeakPolarHBondContact O-CG 3.23Å; E329-L333 PolarHBondContact O-N 3.45Å; L333-F335 VanDerWaalsContact C-N 3.3Å; L333-F335 PolarHBondContact O-N 2.94Å; L333-Q336 WeakPolarHBondContact O-CB 3.49Å; L333-Q336 PolarHBondContact O-N 3.44Å; L333-Y337 WeakPolarHBondContact O-CD2 3.41Å; L333-Y337 PolarHBondContact O-N 3.45Å; L333-V431 HydrophobicContact CD2-CG1 3.84Å; L333-V431 HydrophobicContact CD2-CG2 4.06Å; L333-V431 HydrophobicContact CG-CG1 4.03Å
334	L	87.1	Confident	79.1	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.2	-39.2	176.6	-71.8	169.8	0	0	0	111.6	L229 L232 V233 L242 L265 A330 Q336 Y337 C338	L229-L334 HydrophobicContact CD2-CD1 4Å; L232-L334 HydrophobicContact CB-CD1 3.92Å; L232-L334 HydrophobicContact CB-CD2 4Å; V233-L334 HydrophobicContact CG2-CD1 3.95Å; V233-L334 HydrophobicContact CG2-CD2 4.08Å; V233-L334 HydrophobicContact CG2-CG 3.64Å; L242-L334 HydrophobicContact CD2-CD2 4.24Å; L265-L334 HydrophobicContact CD1-CB 3.65Å; L265-L334 HydrophobicContact CD2-CB 3.75Å; L265-L334 HydrophobicContact CD2-CD1 3.91Å; L265-L334 HydrophobicContact CD2-CG 4.49Å; L265-L334 HydrophobicContact CG-CB 4.36Å; A330-L334 WeakPolarHBondContact O-CB 3.22Å; A330-L334 VanDerWaalsContact O-CG 3.29Å; A330-L334 WeakPolarHBondContact O-CG 3.47Å; A330-L334 PolarHBondContact O-N 2.88Å; L334-Q336 VanDerWaalsContact C-N 3.34Å; L334-Y337 PolarHBondContact O-N 3.47Å; L334-C338 PolarHBondContact O-N 3.35Å; L334-C338 PolarHBondContact O-SG 3.45Å
335	F	88	Confident	78.1	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.2	-37.5	176.7	-173.1	-113.7	0	0	0	111.7	T266 L269 C331 L332 L333 C338 L339 C383 T386 L390 T435	T266-F335 HydrophobicContact CG2-CE2 4.15Å; L269-F335 HydrophobicContact CD1-CB 3.98Å; L269-F335 HydrophobicContact CD1-CD1 4.2Å; L269-F335 HydrophobicContact CD1-CD2 4.43Å; L269-F335 HydrophobicContact CD1-CG 3.96Å; C331-F335 WeakPolarHBondContact O-CB 3.27Å; C331-F335 PolarHBondContact O-N 2.77Å; L332-F335 PolarHBondContact O-N 3.07Å; L333-F335 VanDerWaalsContact C-N 3.3Å; L333-F335 PolarHBondContact O-N 2.94Å; F335-C338 WeakPolarHBondContact O-CA 3.45Å; F335-C338 VanDerWaalsContact O-CB 3.31Å; F335-C338 WeakPolarHBondContact O-CB 3.38Å; F335-C338 PolarHBondContact O-N 3.34Å; F335-C338 VanDerWaalsContact O-N 3.13Å; F335-L339 HydrophobicContact CD1-CD1 3.9Å; F335-L339 HydrophobicContact CD1-CG 4.3Å; F335-L339 HydrophobicContact CE1-CD1 3.7Å; F335-L339 HydrophobicContact CE1-CD2 4.15Å; F335-L339 HydrophobicContact CE1-CG 4.06Å; F335-L339 HydrophobicContact CZ-CD1 4.35Å; F335-L339 HydrophobicContact CZ-CD2 3.96Å; F335-L339 HydrophobicContact CZ-CG 4.24Å; F335-L339 VanDerWaalsContact O-CG 3.31Å; F335-L339 WeakPolarHBondContact O-CG 3.44Å; F335-L339 PolarHBondContact O-N 3.44Å; F335-C383 HydrophobicContact CZ-CB 4.42Å; F335-T386 HydrophobicContact CE1-CG2 3.94Å; F335-T386 HydrophobicContact CE2-CG2 4.24Å; F335-T386 HydrophobicContact CZ-CG2 3.79Å; F335-L390 HydrophobicContact CE1-CD1 4.23Å; F335-T435 HydrophobicContact CD1-CG2 3.56Å; F335-T435 HydrophobicContact CE1-CG2 4.26Å
336	Q	83.6	Confident	76.8	Confident	18 Å²	18	24.5 Å²	24.5	8%	0.084	13%	0.125	C	C	.	.	H	α-helix	trans	-59.9	-46.2	172.2	-172.9	-177.9	13.3	0	0	111.4	L332 L333 L334 C338 L339 Q340 T435	L332-Q336 WeakPolarHBondContact O-CB 3.42Å; L332-Q336 PolarHBondContact O-N 2.78Å; L333-Q336 WeakPolarHBondContact O-CB 3.49Å; L333-Q336 PolarHBondContact O-N 3.44Å; L334-Q336 VanDerWaalsContact C-N 3.34Å; Q336-C338 VanDerWaalsContact C-N 3.29Å; Q336-C338 PolarHBondContact O-N 3.27Å; Q336-L339 PolarHBondContact O-N 2.91Å; Q336-L339 VanDerWaalsContact O-N 3.17Å; Q336-Q340 WeakPolarHBondContact O-CG 3.01Å; Q336-Q340 PolarHBondContact O-N 3.45Å; Q336-T435 HydrophobicContact CB-CG2 4.49Å
337	Y	82.3	Confident	75.1	Confident	20 Å²	20	27.2 Å²	27.2	8%	0.078	14%	0.143	C	C	.	.	H	α-helix	trans	-62	-36.5	173.2	-72.9	-60.5	0	0	0	112.3	N237 Q240 L333 L334 Q340 E341	N237-Y337 WeakPolarHBondContact OD1-CE2 3.21Å; N237-Y337 PolarHBondContact OD1-OH 2.96Å; N237-Y337 VanDerWaalsContact OD1-OH 3.12Å; Q240-Y337 PolarHBondContact OE1-OH 2.86Å; L333-Y337 WeakPolarHBondContact O-CD2 3.41Å; L333-Y337 PolarHBondContact O-N 3.45Å; L334-Y337 PolarHBondContact O-N 3.47Å; Y337-Q340 PolarHBondContact O-N 3.12Å; Y337-E341 WeakPolarHBondContact O-CG 3.47Å; Y337-E341 PolarHBondContact O-N 2.89Å
338	C	83.5	Confident	72.8	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.2	-47.5	172.3	-65.9	0	0	0	0	111.1	L242 F258 V262 L334 F335 Q336 Q340 E341 L342	L242-C338 HydrophobicContact CD1-CB 4.16Å; L242-C338 WeakPolarHBondContact CD1-SG 3.43Å; F258-C338 HydrophobicContact CE2-CB 4.42Å; V262-C338 HydrophobicContact CG2-CB 4.24Å; L334-C338 PolarHBondContact O-N 3.35Å; L334-C338 PolarHBondContact O-SG 3.45Å; F335-C338 WeakPolarHBondContact O-CA 3.45Å; F335-C338 VanDerWaalsContact O-CB 3.31Å; F335-C338 WeakPolarHBondContact O-CB 3.38Å; F335-C338 PolarHBondContact O-N 3.34Å; F335-C338 VanDerWaalsContact O-N 3.13Å; Q336-C338 VanDerWaalsContact C-N 3.29Å; Q336-C338 PolarHBondContact O-N 3.27Å; C338-Q340 VanDerWaalsContact C-N 3.35Å; C338-Q340 PolarHBondContact O-N 2.88Å; C338-E341 PolarHBondContact O-N 2.75Å; C338-L342 WeakPolarHBondContact O-CG 3.18Å; C338-L342 PolarHBondContact O-N 3.37Å
339	L	82.1	Confident	70.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.9	-42.1	179.3	-65.7	169.6	0	0	0	111.6	F335 Q336 E341 L342 Q343 T435 W439 L442	F335-L339 HydrophobicContact CD1-CD1 3.9Å; F335-L339 HydrophobicContact CD1-CG 4.3Å; F335-L339 HydrophobicContact CE1-CD1 3.7Å; F335-L339 HydrophobicContact CE1-CD2 4.15Å; F335-L339 HydrophobicContact CE1-CG 4.06Å; F335-L339 HydrophobicContact CZ-CD1 4.35Å; F335-L339 HydrophobicContact CZ-CD2 3.96Å; F335-L339 HydrophobicContact CZ-CG 4.24Å; F335-L339 VanDerWaalsContact O-CG 3.31Å; F335-L339 WeakPolarHBondContact O-CG 3.44Å; F335-L339 PolarHBondContact O-N 3.44Å; Q336-L339 PolarHBondContact O-N 2.91Å; Q336-L339 VanDerWaalsContact O-N 3.17Å; L339-E341 PolarHBondContact O-N 2.96Å; L339-L342 WeakPolarHBondContact O-CB 3.32Å; L339-L342 PolarHBondContact O-N 3.1Å; L339-L342 VanDerWaalsContact O-N 3.14Å; L339-Q343 WeakPolarHBondContact O-CG 3.43Å; L339-Q343 PolarHBondContact O-N 3.35Å; L339-T435 HydrophobicContact CD1-CG2 4.22Å; L339-T435 WeakPolarHBondContact CD1-O 3.3Å; L339-W439 HydrophobicContact CD1-CB 3.83Å; L339-W439 HydrophobicContact CD2-CB 4.3Å; L339-L442 HydrophobicContact CB-CD2 4.45Å; L339-L442 HydrophobicContact CD2-CD2 3.61Å
340	Q	79.4	Confident	68	Low	53 Å²	53	41.4 Å²	41.4	25%	0.248	22%	0.22	C	C	.	.	H	α-helix	trans	-63.1	-39.6	176.5	-71.4	174.2	-1.7	0	0	112.3	Q336 Y337 C338 L342 Q343 K344	Q336-Q340 WeakPolarHBondContact O-CG 3.01Å; Q336-Q340 PolarHBondContact O-N 3.45Å; Y337-Q340 PolarHBondContact O-N 3.12Å; C338-Q340 VanDerWaalsContact C-N 3.35Å; C338-Q340 PolarHBondContact O-N 2.88Å; Q340-L342 VanDerWaalsContact C-N 3.3Å; Q340-Q343 PolarHBondContact O-N 2.96Å; Q340-K344 PolarHBondContact O-N 2.76Å
341	E	76.2	Confident	65.3	Low	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-68.5	-30.1	173.9	-71.4	-59.5	130	0	0	112.5	S241 L242 K243 Y337 C338 L339 K344 S366 L367	S241-E341 WeakPolarHBondContact CB-OE1 3.4Å; L242-E341 HydrophobicContact CB-CG 4.2Å; K243-E341 WeakPolarHBondContact CE-OE2 3.42Å; K243-E341 VanDerWaalsContact CG-OE2 3.25Å; K243-E341 WeakPolarHBondContact CG-OE2 3.28Å; Y337-E341 WeakPolarHBondContact O-CG 3.47Å; Y337-E341 PolarHBondContact O-N 2.89Å; C338-E341 PolarHBondContact O-N 2.75Å; L339-E341 PolarHBondContact O-N 2.96Å; E341-K344 IonicContact OE1-NZ 3.21Å; E341-K344 PolarHBondContact OE1-NZ 3.39Å; E341-S366 PolarHBondContact O-OG 3.05Å; E341-L367 HydrophobicContact CB-CD1 4.32Å; E341-L367 HydrophobicContact CG-CD1 4Å
342	L	73.5	Confident	62.5	Low	25 Å²	25	57 Å²	57	13%	0.131	30%	0.303	C	S	.	.	H	α-helix	trans	-70.5	-29.9	171.9	-66.3	176.3	0	0	0	113.1	F258 C338 L339 Q340 I368 I379 L442	F258-L342 HydrophobicContact CE1-CD2 4.28Å; F258-L342 HydrophobicContact CZ-CD2 4.3Å; C338-L342 WeakPolarHBondContact O-CG 3.18Å; C338-L342 PolarHBondContact O-N 3.37Å; L339-L342 WeakPolarHBondContact O-CB 3.32Å; L339-L342 PolarHBondContact O-N 3.1Å; L339-L342 VanDerWaalsContact O-N 3.14Å; Q340-L342 VanDerWaalsContact C-N 3.3Å; L342-I368 HydrophobicContact CB-CD1 4.28Å; L342-I368 HydrophobicContact CD2-CD1 3.45Å; L342-I368 VanDerWaalsContact CD2-CD1 3.45Å; L342-I368 HydrophobicContact CD2-CG1 3.52Å; L342-I368 HydrophobicContact CG-CD1 4.4Å; L342-I379 HydrophobicContact CD1-CG2 4.43Å; L342-I379 HydrophobicContact CD2-CG2 4.2Å; L342-L442 HydrophobicContact CB-CD1 3.98Å; L342-L442 HydrophobicContact CB-CD2 3.58Å; L342-L442 HydrophobicContact CB-CG 4.45Å; L342-L442 HydrophobicContact CD1-CD2 3.75Å; L342-L442 HydrophobicContact CG-CD2 4.32Å
343	Q	69.3	Low	59.8	Low	39 Å²	39	64 Å²	64	18%	0.182	34%	0.34	C	S	.	.	H	α-helix	trans	-75.8	-25.1	178.8	-73.7	178.9	-13	0	0	113.4	L339 Q340 S345 S438 E441 L442	L339-Q343 WeakPolarHBondContact O-CG 3.43Å; L339-Q343 PolarHBondContact O-N 3.35Å; Q340-Q343 PolarHBondContact O-N 2.96Å; Q343-S345 PolarHBondContact O-N 3.29Å; Q343-S438 PolarHBondContact NE2-O 3.5Å; Q343-E441 VanDerWaalsContact NE2-CD 3.3Å; Q343-E441 PolarHBondContact NE2-OE2 3.06Å; Q343-L442 HydrophobicContact CB-CD1 4.41Å; Q343-L442 HydrophobicContact CG-CB 3.96Å; Q343-L442 HydrophobicContact CG-CD1 3.71Å; Q343-L442 HydrophobicContact CG-CG 4.33Å
344	K	65.4	Low	57.2	Low	77 Å²	77	67.2 Å²	67.2	34%	0.335	36%	0.362	S	S	.	.			trans	-71.6	97.6	-180	-71.7	173.3	-171.8	168.4	0	109.7	Q340 E341	Q340-K344 PolarHBondContact O-N 2.76Å; E341-K344 IonicContact OE1-NZ 3.21Å; E341-K344 PolarHBondContact OE1-NZ 3.39Å
345	S	48.7	Very low	54.4	Low	60 Å²	60	73.4 Å²	73.4	42%	0.42	40%	0.4	S	S	.	.			trans	-70.8	141.8	172.8	50.3	0	0	0	0	111	Q343 T347	Q343-S345 PolarHBondContact O-N 3.29Å; S345-T347 VanDerWaalsContact CB-OG1 3.26Å; S345-T347 WeakPolarHBondContact CB-OG1 3.23Å; S345-T347 PolarHBondContact O-N 3.5Å; S345-T347 PolarHBondContact OG-OG1 2.85Å; S345-T347 VanDerWaalsContact OG-OG1 3.04Å
346	N	44.2	Very low	51.5	Low	96 Å²	96	81.3 Å²	81.3	51%	0.513	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-62.2	-1.4	172.5	-72.7	-18.3	0	0	0	113.7	S366	N346-S366 PolarHBondContact OD1-N 2.85Å
347	T	34.8	Very low	49	Very low	79 Å²	79	90.4 Å²	90.4	49%	0.485	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-88.1	-2.7	-174.2	41.8	0	0	0	0	115.2	S345 D349 N350	S345-T347 VanDerWaalsContact CB-OG1 3.26Å; S345-T347 WeakPolarHBondContact CB-OG1 3.23Å; S345-T347 PolarHBondContact O-N 3.5Å; S345-T347 PolarHBondContact OG-OG1 2.85Å; S345-T347 VanDerWaalsContact OG-OG1 3.04Å; T347-D349 PolarHBondContact O-N 2.88Å; T347-N350 PolarHBondContact O-N 3.05Å
348	D	32.6	Very low	46.2	Very low	138 Å²	138	95.2 Å²	95.2	74%	0.738	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-65.6	-4.7	174	-72.2	-13.4	0	0	0	112.9
349	D	29.8	Very low	43.5	Very low	91 Å²	91	99.5 Å²	99.5	49%	0.487	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-96.3	4.5	177.7	-84.3	-22.5	0	0	0	115.2	T347 D351	T347-D349 PolarHBondContact O-N 2.88Å; D349-D351 VanDerWaalsContact C-N 3.26Å; D349-D351 PolarHBondContact O-N 3.08Å
350	N	28.2	Very low	41	Very low	139 Å²	139	107.6 Å²	107.6	74%	0.743	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	9	-174.6	-89.9	-6.6	0	0	0	116.5	T347	T347-N350 PolarHBondContact O-N 3.05Å
351	D	27.5	Very low	38.5	Very low	165 Å²	165	112.3 Å²	112.3	88%	0.882	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	26.6	175.5	-106.6	-4.6	0	0	0	114.3	D349 D353	D349-D351 VanDerWaalsContact C-N 3.26Å; D349-D351 PolarHBondContact O-N 3.08Å; D351-D353 PolarHBondContact O-N 3.26Å
352	L	27.9	Very low	36.3	Very low	163 Å²	163	117 Å²	117	85%	0.853	65%	0.65	S	S	*	*			trans	-92.8	78.1	163.1	-111	91.4	0	0	0	111.1	T354	L352-T354 PolarHBondContact O-N 3.46Å
353	D	28.7	Very low	34.4	Very low	145 Å²	145	120 Å²	120	78%	0.775	67%	0.672	S	S	*	*			trans	-61.5	106.2	162.7	-147.1	-11.9	0	0	0	109.1	D351	D351-D353 PolarHBondContact O-N 3.26Å
354	T	28.5	Very low	33	Very low	104 Å²	104	126.5 Å²	126.5	64%	0.638	70%	0.696	S	S	*	*	S	Bend	trans	40.2	123.1	151.7	52.4	0	0	0	0	120.3	L352	L352-T354 PolarHBondContact O-N 3.46Å
355	T	28.3	Very low	32.1	Very low	130 Å²	130	125.6 Å²	125.6	80%	0.798	70%	0.699	S	S	*	*			trans	80.7	74.2	154.9	64.4	0	0	0	0	118.8
356	N	27.1	Very low	32.7	Very low	166 Å²	166	123 Å²	123	89%	0.888	68%	0.681	S	S	*	*			trans	-148.4	113.2	133	-103.7	-26.3	0	0	0	111.4	C358	N356-C358 PolarHBondContact O-N 3.47Å
357	K	31.7	Very low	33.2	Very low	208 Å²	208	118.6 Å²	118.6	90%	0.904	66%	0.657	S	S	*	*			trans	-77.4	103.7	169.1	-78.4	177.5	173.5	177.1	0	107.9
358	C	23.5	Very low	34.5	Very low	122 Å²	122	116.7 Å²	116.7	82%	0.824	64%	0.644	S	S	*	*			trans	166.2	129.3	160.2	-93	0	0	0	0	104.5	N356	N356-C358 PolarHBondContact O-N 3.47Å
359	S	26.4	Very low	36.2	Very low	90 Å²	90	112.8 Å²	112.8	63%	0.629	63%	0.627	S	S	*	*			cis	-177.2	133.3	9.5	36.9	0	0	0	0	104	N361	S359-N361 PolarHBondContact O-N 3.02Å
360	D	29.6	Very low	37.7	Very low	170 Å²	170	112 Å²	112	91%	0.909	62%	0.621	S	S	*	*			trans	39.1	30.9	157.6	-59.6	-20.9	0	0	0	120.4	S362	D360-S362 PolarHBondContact O-N 3.35Å
361	N	27.5	Very low	39.5	Very low	151 Å²	151	106 Å²	106	81%	0.807	59%	0.59	S	S	*	*			trans	-81	101.6	164.6	-75.9	-9.9	0	0	0	107.3	S359 S363	S359-N361 PolarHBondContact O-N 3.02Å; N361-S363 PolarHBondContact O-N 2.93Å
362	S	30	Very low	41.6	Very low	100 Å²	100	100.9 Å²	100.9	70%	0.699	57%	0.565	S	S	*	*			trans	-41.3	106.5	172.4	53.2	0	0	0	0	109.9	D360 Y364	D360-S362 PolarHBondContact O-N 3.35Å; S362-Y364 PolarHBondContact O-N 3.39Å
363	S	32.9	Very low	43.6	Very low	86 Å²	86	100 Å²	100	60%	0.601	56%	0.561	S	S	*	*			trans	-43.8	124.1	171.7	49.9	0	0	0	0	109.1	N361 C365	N361-S363 PolarHBondContact O-N 2.93Å; S363-C365 PolarHBondContact O-N 3.33Å
364	Y	39.5	Very low	45.9	Very low	176 Å²	176	98.8 Å²	98.8	69%	0.69	56%	0.555	S	S	*	*			trans	-70.7	59.6	-173.1	-81.2	-91.4	0	0	0	112.1	S362 S366	S362-Y364 PolarHBondContact O-N 3.39Å; Y364-S366 PolarHBondContact O-N 2.69Å
365	C	46.3	Very low	48.2	Very low	58 Å²	58	95.2 Å²	95.2	39%	0.392	53%	0.533	S	S	.	.			trans	-70.6	130.2	-179.7	-67.5	0	0	0	0	111.1	S363 S369	S363-C365 PolarHBondContact O-N 3.33Å; C365-S369 WeakPolarHBondContact CB-OG 3.39Å
366	S	61.6	Low	50.4	Low	5 Å²	5	90.9 Å²	90.9	4%	0.035	51%	0.506	C	S	.	.			trans	-59.8	148.3	172.3	170.8	0	0	0	0	111	E341 N346 Y364 I368 S369	E341-S366 PolarHBondContact O-OG 3.05Å; N346-S366 PolarHBondContact OD1-N 2.85Å; Y364-S366 PolarHBondContact O-N 2.69Å; S366-I368 PolarHBondContact O-N 2.94Å; S366-I368 WeakPolarHBondContact OG-CD1 3.43Å; S366-I368 PolarHBondContact OG-N 2.89Å; S366-S369 WeakPolarHBondContact O-CB 3.42Å; S366-S369 PolarHBondContact O-N 3.03Å; S366-S369 PolarHBondContact O-OG 3.24Å
367	L	55.4	Low	52.8	Low	4 Å²	4	89.2 Å²	89.2	2%	0.021	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-52.2	-29.6	175.4	-74	166	0	0	0	112.9	L242 L245 F258 E341 S369 H370	L242-L367 HydrophobicContact CB-CD1 3.75Å; L242-L367 VanDerWaalsContact O-CD1 3.31Å; L242-L367 WeakPolarHBondContact O-CD1 3.37Å; L245-L367 HydrophobicContact CB-CD2 4.22Å; F258-L367 HydrophobicContact CD2-CB 4.39Å; F258-L367 HydrophobicContact CD2-CD1 3.87Å; F258-L367 HydrophobicContact CE2-CD1 4.09Å; F258-L367 HydrophobicContact CG-CB 4.32Å; E341-L367 HydrophobicContact CB-CD1 4.32Å; E341-L367 HydrophobicContact CG-CD1 4Å; L367-S369 PolarHBondContact O-N 3.38Å; L367-H370 WeakPolarHBondContact O-CB 3.38Å; L367-H370 PolarHBondContact O-N 3.48Å
368	I	62	Low	55.1	Low	39 Å²	39	83.5 Å²	83.5	20%	0.2	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-59.1	-35.3	176.1	-60.6	162.3	0	0	0	111.6	L342 S366 H370 A371 V376	L342-I368 HydrophobicContact CB-CD1 4.28Å; L342-I368 HydrophobicContact CD2-CD1 3.45Å; L342-I368 VanDerWaalsContact CD2-CD1 3.45Å; L342-I368 HydrophobicContact CD2-CG1 3.52Å; L342-I368 HydrophobicContact CG-CD1 4.4Å; S366-I368 PolarHBondContact O-N 2.94Å; S366-I368 WeakPolarHBondContact OG-CD1 3.43Å; S366-I368 PolarHBondContact OG-N 2.89Å; I368-H370 PolarHBondContact O-N 2.85Å; I368-H370 VanDerWaalsContact O-N 3.11Å; I368-A371 WeakPolarHBondContact O-CB 3.47Å; I368-A371 PolarHBondContact O-N 2.9Å; I368-V376 HydrophobicContact CG2-CB 4.2Å; I368-V376 HydrophobicContact CG2-CG1 3.61Å; I368-V376 HydrophobicContact CG2-CG2 3.45Å; I368-V376 VanDerWaalsContact CG2-CG2 3.45Å
369	S	67.3	Low	57.9	Low	57 Å²	57	77.8 Å²	77.8	40%	0.399	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-66.1	-16.4	-177.8	76.9	0	0	0	0	112.9	C365 S366 L367	C365-S369 WeakPolarHBondContact CB-OG 3.39Å; S366-S369 WeakPolarHBondContact O-CB 3.42Å; S366-S369 PolarHBondContact O-N 3.03Å; S366-S369 PolarHBondContact O-OG 3.24Å; L367-S369 PolarHBondContact O-N 3.38Å
370	H	61.9	Low	60.5	Low	74 Å²	74	75.9 Å²	75.9	34%	0.343	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-82.8	-16.3	174.2	-65.6	-90.2	0	0	0	112.6	C249 H254 G255 L367 I368	C249-H370 HydrophobicContact CB-CB 3.98Å; H254-H370 CarbonylContact C-O 2.99Å; H254-H370 WeakPolarHBondContact CA-O 3.08Å; G255-H370 PolarHBondContact N-O 3.26Å; G255-H370 VanDerWaalsContact N-O 3.12Å; L367-H370 WeakPolarHBondContact O-CB 3.38Å; L367-H370 PolarHBondContact O-N 3.48Å; I368-H370 PolarHBondContact O-N 2.85Å; I368-H370 VanDerWaalsContact O-N 3.11Å
371	A	65.9	Low	62.9	Low	13 Å²	13	71.8 Å²	71.8	11%	0.107	39%	0.388	C	S	.	.	S	Bend	trans	-92.3	152.4	-179	0	0	0	0	0	111.8	H254 I368 T375 V376	H254-A371 WeakPolarHBondContact O-CA 3.28Å; I368-A371 WeakPolarHBondContact O-CB 3.47Å; I368-A371 PolarHBondContact O-N 2.9Å; A371-T375 HydrophobicContact CB-CG2 4.07Å; A371-V376 HydrophobicContact CB-CG2 3.72Å
372	T	72.5	Confident	65.6	Low	57 Å²	57	66.8 Å²	66.8	35%	0.35	36%	0.36	S	S	.	.			trans	-72.2	154.3	171.8	60.7	0	0	0	0	110.8	H254 D374 T375 V376	H254-T372 HydrophobicContact CB-CG2 4.12Å; T372-D374 PolarHBondContact O-N 2.86Å; T372-D374 VanDerWaalsContact O-N 3.16Å; T372-T375 CarbonylContact O-C 3.56Å; T372-T375 WeakPolarHBondContact O-CA 3.48Å; T372-T375 WeakPolarHBondContact O-CB 3.24Å; T372-T375 PolarHBondContact O-N 3.17Å; T372-T375 WeakPolarHBondContact OG1-CB 3.18Å; T372-T375 PolarHBondContact OG1-N 3.47Å; T372-T375 PolarHBondContact OG1-OG1 3.11Å; T372-V376 WeakPolarHBondContact O-CG2 3.49Å; T372-V376 PolarHBondContact O-N 2.82Å
373	D	70.2	Confident	68.2	Low	145 Å²	145	62 Å²	62	78%	0.775	33%	0.327	S	S	*	.	H	α-helix	trans	-51.5	-42	178.3	-61.7	-17.6	0	0	0	112.8	T375 V376 K377	D373-T375 VanDerWaalsContact C-N 3.33Å; D373-T375 PolarHBondContact O-N 3.2Å; D373-V376 PolarHBondContact O-N 3.03Å; D373-K377 VanDerWaalsContact O-CB 3.3Å; D373-K377 WeakPolarHBondContact O-CB 3.41Å; D373-K377 PolarHBondContact O-N 2.98Å
374	D	75.8	Confident	70.6	Confident	119 Å²	119	59.5 Å²	59.5	64%	0.636	31%	0.306	S	S	*	.	H	α-helix	trans	-62.8	-39.2	175.2	-73.6	-32.3	0	0	0	112.5	T372 N378	T372-D374 PolarHBondContact O-N 2.86Å; T372-D374 VanDerWaalsContact O-N 3.16Å; D374-N378 WeakPolarHBondContact O-CB 3.4Å; D374-N378 PolarHBondContact O-N 3.41Å; D374-N378 PolarHBondContact O-ND2 3.44Å; D374-N378 VanDerWaalsContact O-ND2 3.11Å
375	T	77.5	Confident	72.7	Confident	30 Å²	30	55.6 Å²	55.6	18%	0.184	30%	0.297	C	S	.	.	H	α-helix	trans	-69.1	-42.9	177.5	-56.1	0	0	0	0	110.7	T259 A371 T372 D373 K377 N378 I379	T259-T375 HydrophobicContact CG2-CG2 3.74Å; T259-T375 WeakPolarHBondContact OG1-CG2 3.4Å; A371-T375 HydrophobicContact CB-CG2 4.07Å; T372-T375 CarbonylContact O-C 3.56Å; T372-T375 WeakPolarHBondContact O-CA 3.48Å; T372-T375 WeakPolarHBondContact O-CB 3.24Å; T372-T375 PolarHBondContact O-N 3.17Å; T372-T375 WeakPolarHBondContact OG1-CB 3.18Å; T372-T375 PolarHBondContact OG1-N 3.47Å; T372-T375 PolarHBondContact OG1-OG1 3.11Å; D373-T375 VanDerWaalsContact C-N 3.33Å; D373-T375 PolarHBondContact O-N 3.2Å; T375-K377 VanDerWaalsContact C-N 3.34Å; T375-K377 PolarHBondContact O-N 3.32Å; T375-N378 PolarHBondContact O-N 2.88Å; T375-I379 HydrophobicContact CG2-CD1 4.06Å; T375-I379 WeakPolarHBondContact O-CB 3.34Å; T375-I379 VanDerWaalsContact O-CG1 3.3Å; T375-I379 WeakPolarHBondContact O-CG1 3.33Å; T375-I379 PolarHBondContact O-N 3.47Å
376	V	74.7	Confident	74.5	Confident	39 Å²	39	53.1 Å²	53.1	24%	0.236	28%	0.28	C	S	.	.	H	α-helix	trans	-60.4	-45.3	174.8	177.3	0	0	0	0	110.5	I368 A371 T372 D373 N378 I379 W380	I368-V376 HydrophobicContact CG2-CB 4.2Å; I368-V376 HydrophobicContact CG2-CG1 3.61Å; I368-V376 HydrophobicContact CG2-CG2 3.45Å; I368-V376 VanDerWaalsContact CG2-CG2 3.45Å; A371-V376 HydrophobicContact CB-CG2 3.72Å; T372-V376 WeakPolarHBondContact O-CG2 3.49Å; T372-V376 PolarHBondContact O-N 2.82Å; D373-V376 PolarHBondContact O-N 3.03Å; V376-N378 VanDerWaalsContact C-N 3.34Å; V376-N378 PolarHBondContact O-N 2.82Å; V376-I379 WeakPolarHBondContact O-CB 3.49Å; V376-I379 PolarHBondContact O-N 3.44Å; V376-W380 WeakPolarHBondContact O-CB 3.17Å; V376-W380 PolarHBondContact O-N 2.87Å
377	K	76	Confident	75.6	Confident	131 Å²	131	52.9 Å²	52.9	57%	0.57	28%	0.279	S	S	*	.	H	α-helix	trans	-60.6	-42.5	175.4	-176.5	177.4	179.4	176.9	0	112.1	D373 T375 W380 L381	D373-K377 VanDerWaalsContact O-CB 3.3Å; D373-K377 WeakPolarHBondContact O-CB 3.41Å; D373-K377 PolarHBondContact O-N 2.98Å; T375-K377 VanDerWaalsContact C-N 3.34Å; T375-K377 PolarHBondContact O-N 3.32Å; K377-W380 PolarHBondContact O-N 2.88Å; K377-L381 HydrophobicContact CG-CD1 4.38Å; K377-L381 VanDerWaalsContact O-CG 3.31Å; K377-L381 WeakPolarHBondContact O-CG 3.18Å; K377-L381 PolarHBondContact O-N 3.17Å
378	N	80.2	Confident	76.9	Confident	87 Å²	87	55.9 Å²	55.9	47%	0.465	29%	0.293	S	S	.	.	H	α-helix	trans	-65.7	-43.3	176.8	-72.9	-29.8	0	0	0	112.1	D374 T375 V376 W380 L381 Q382	D374-N378 WeakPolarHBondContact O-CB 3.4Å; D374-N378 PolarHBondContact O-N 3.41Å; D374-N378 PolarHBondContact O-ND2 3.44Å; D374-N378 VanDerWaalsContact O-ND2 3.11Å; T375-N378 PolarHBondContact O-N 2.88Å; V376-N378 VanDerWaalsContact C-N 3.34Å; V376-N378 PolarHBondContact O-N 2.82Å; N378-W380 VanDerWaalsContact C-N 3.28Å; N378-W380 PolarHBondContact O-N 3.29Å; N378-L381 PolarHBondContact O-N 2.46Å; N378-Q382 VanDerWaalsContact O-CG 3.32Å; N378-Q382 WeakPolarHBondContact O-CG 3.35Å; N378-Q382 PolarHBondContact O-N 2.81Å
379	I	82	Confident	78	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.015	29%	0.29	C	S	.	.	H	α-helix	trans	-57	-46	173.2	-75.1	167.4	0	0	0	109.9	F258 T259 V262 L342 T375 V376 Q382 C383	F258-I379 HydrophobicContact CD1-CD1 3.88Å; F258-I379 HydrophobicContact CE1-CD1 4.01Å; F258-I379 HydrophobicContact CE1-CG2 4.37Å; T259-I379 HydrophobicContact CG2-CD1 4.3Å; T259-I379 HydrophobicContact CG2-CG1 4.21Å; V262-I379 HydrophobicContact CG1-CG2 4.18Å; V262-I379 HydrophobicContact CG2-CG2 4.49Å; L342-I379 HydrophobicContact CD1-CG2 4.43Å; L342-I379 HydrophobicContact CD2-CG2 4.2Å; T375-I379 HydrophobicContact CG2-CD1 4.06Å; T375-I379 WeakPolarHBondContact O-CB 3.34Å; T375-I379 VanDerWaalsContact O-CG1 3.3Å; T375-I379 WeakPolarHBondContact O-CG1 3.33Å; T375-I379 PolarHBondContact O-N 3.47Å; V376-I379 WeakPolarHBondContact O-CB 3.49Å; V376-I379 PolarHBondContact O-N 3.44Å; I379-Q382 PolarHBondContact O-N 3.46Å; I379-C383 PolarHBondContact O-N 3.13Å; I379-C383 PolarHBondContact O-SG 3.42Å
380	W	81.5	Confident	78.8	Confident	50 Å²	50	52.7 Å²	52.7	19%	0.189	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-47.2	178.6	-179.5	-124.6	0	0	0	112.4	V376 K377 N378 Q382 C383 L384 L442 Y443 T446 H447	V376-W380 WeakPolarHBondContact O-CB 3.17Å; V376-W380 PolarHBondContact O-N 2.87Å; K377-W380 PolarHBondContact O-N 2.88Å; N378-W380 VanDerWaalsContact C-N 3.28Å; N378-W380 PolarHBondContact O-N 3.29Å; W380-Q382 VanDerWaalsContact C-N 3.31Å; W380-Q382 PolarHBondContact O-N 3.2Å; W380-C383 HydrophobicContact CE3-CB 4.21Å; W380-C383 HydrophobicContact CZ3-CB 4.44Å; W380-C383 WeakPolarHBondContact O-CA 3.48Å; W380-C383 WeakPolarHBondContact O-CB 3.21Å; W380-C383 PolarHBondContact O-N 3.33Å; W380-C383 VanDerWaalsContact O-N 3.07Å; W380-L384 HydrophobicContact CD2-CG 4.32Å; W380-L384 HydrophobicContact CH2-CD2 4.14Å; W380-L384 HydrophobicContact CZ2-CD2 3.67Å; W380-L384 HydrophobicContact CZ2-CG 4.16Å; W380-L384 WeakPolarHBondContact O-CG 3.15Å; W380-L384 PolarHBondContact O-N 3.3Å; W380-L442 HydrophobicContact CE3-CD2 4.5Å; W380-L442 HydrophobicContact CH2-CD2 4.41Å; W380-L442 HydrophobicContact CH2-CG 4.05Å; W380-L442 HydrophobicContact CZ3-CD2 3.62Å; W380-L442 HydrophobicContact CZ3-CG 3.71Å; W380-Y443 HydrophobicContact CZ2-CD2 4.43Å; W380-T446 HydrophobicContact CH2-CG2 4.08Å; W380-T446 WeakPolarHBondContact CH2-OG1 3.32Å; W380-T446 HydrophobicContact CZ2-CG2 4.17Å; W380-T446 WeakPolarHBondContact CZ2-OG1 3.23Å; W380-T446 HydrophobicContact CZ3-CG2 4.46Å; W380-H447 AromaticContact CZ2-CE1 3.72Å
381	L	80.8	Confident	79.8	Confident	83 Å²	83	50.6 Å²	50.6	44%	0.435	26%	0.261	S	S	.	.	H	α-helix	trans	-58.9	-41.1	175.9	-71.2	170.4	0	0	0	112.2	K377 N378 C383 L384 D385	K377-L381 HydrophobicContact CG-CD1 4.38Å; K377-L381 VanDerWaalsContact O-CG 3.31Å; K377-L381 WeakPolarHBondContact O-CG 3.18Å; K377-L381 PolarHBondContact O-N 3.17Å; N378-L381 PolarHBondContact O-N 2.46Å; L381-C383 VanDerWaalsContact C-N 3.33Å; L381-C383 PolarHBondContact O-N 3.25Å; L381-L384 HydrophobicContact CD2-CD1 4.4Å; L381-L384 WeakPolarHBondContact O-CB 3.47Å; L381-L384 PolarHBondContact O-N 3.07Å; L381-D385 PolarHBondContact O-N 2.96Å
382	Q	83.7	Confident	80.4	Confident	47 Å²	47	53.9 Å²	53.9	22%	0.22	28%	0.276	C	S	.	.	H	α-helix	trans	-64.7	-37.5	174.8	-67.7	174.7	12	0	0	112.3	T263 T266 N378 I379 W380 T386	T263-Q382 VanDerWaalsContact CA-OE1 3.27Å; T263-Q382 PolarHBondContact OG1-NE2 3.25Å; T263-Q382 VanDerWaalsContact OG1-NE2 3.15Å; T263-Q382 PolarHBondContact OG1-OE1 2.85Å; T266-Q382 HydrophobicContact CG2-CB 4Å; T266-Q382 PolarHBondContact OG1-OE1 3.38Å; N378-Q382 VanDerWaalsContact O-CG 3.32Å; N378-Q382 WeakPolarHBondContact O-CG 3.35Å; N378-Q382 PolarHBondContact O-N 2.81Å; I379-Q382 PolarHBondContact O-N 3.46Å; W380-Q382 VanDerWaalsContact C-N 3.31Å; W380-Q382 PolarHBondContact O-N 3.2Å; Q382-T386 WeakPolarHBondContact O-CB 3.27Å; Q382-T386 PolarHBondContact O-N 3.21Å; Q382-T386 PolarHBondContact O-OG1 2.92Å
383	C	85.1	Confident	80.6	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.5	-38.8	175.2	-65.9	0	0	0	0	111.4	F335 I379 W380 L381 T386 G387 W439	F335-C383 HydrophobicContact CZ-CB 4.42Å; I379-C383 PolarHBondContact O-N 3.13Å; I379-C383 PolarHBondContact O-SG 3.42Å; W380-C383 HydrophobicContact CE3-CB 4.21Å; W380-C383 HydrophobicContact CZ3-CB 4.44Å; W380-C383 WeakPolarHBondContact O-CA 3.48Å; W380-C383 WeakPolarHBondContact O-CB 3.21Å; W380-C383 PolarHBondContact O-N 3.33Å; W380-C383 VanDerWaalsContact O-N 3.07Å; L381-C383 VanDerWaalsContact C-N 3.33Å; L381-C383 PolarHBondContact O-N 3.25Å; C383-T386 PolarHBondContact O-N 2.68Å; C383-G387 PolarHBondContact O-N 3.09Å; C383-W439 PolarHBondContact O-NE1 2.76Å
384	L	82.8	Confident	80.9	Confident	33 Å²	33	45 Å²	45	17%	0.173	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-51.3	173.6	-70.5	177.1	0	0	0	111.4	W380 L381 T386 G387 E388 W439 Y443	W380-L384 HydrophobicContact CD2-CG 4.32Å; W380-L384 HydrophobicContact CH2-CD2 4.14Å; W380-L384 HydrophobicContact CZ2-CD2 3.67Å; W380-L384 HydrophobicContact CZ2-CG 4.16Å; W380-L384 WeakPolarHBondContact O-CG 3.15Å; W380-L384 PolarHBondContact O-N 3.3Å; L381-L384 HydrophobicContact CD2-CD1 4.4Å; L381-L384 WeakPolarHBondContact O-CB 3.47Å; L381-L384 PolarHBondContact O-N 3.07Å; L384-T386 PolarHBondContact O-N 2.95Å; L384-G387 PolarHBondContact O-N 3.11Å; L384-E388 WeakPolarHBondContact O-CG 3.47Å; L384-E388 PolarHBondContact O-N 3.37Å; L384-W439 HydrophobicContact CD2-CZ2 4.06Å; L384-Y443 HydrophobicContact CD2-CD2 3.49Å; L384-Y443 VanDerWaalsContact CD2-CD2 3.49Å; L384-Y443 HydrophobicContact CD2-CE2 3.71Å
385	D	83.5	Confident	80.6	Confident	93 Å²	93	40.6 Å²	40.6	50%	0.497	21%	0.205	S	C	.	.	H	α-helix	trans	-56.5	-41.1	177.5	-78.6	-6.1	0	0	0	111.8	L381 L389	L381-D385 PolarHBondContact O-N 2.96Å; D385-L389 WeakPolarHBondContact O-CB 3.36Å; D385-L389 PolarHBondContact O-N 2.78Å
386	T	85.2	Confident	80.2	Confident	6 Å²	6	41.6 Å²	41.6	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-71.6	-39.8	179.9	-55.9	0	0	0	0	111.5	T266 L269 F335 Q382 C383 L384 L389 L390	T266-T386 WeakPolarHBondContact CB-OG1 3.39Å; T266-T386 VanDerWaalsContact CG2-OG1 3.29Å; T266-T386 WeakPolarHBondContact CG2-OG1 3.45Å; L269-T386 HydrophobicContact CB-CG2 4.36Å; L269-T386 HydrophobicContact CD1-CG2 3.84Å; F335-T386 HydrophobicContact CE1-CG2 3.94Å; F335-T386 HydrophobicContact CE2-CG2 4.24Å; F335-T386 HydrophobicContact CZ-CG2 3.79Å; Q382-T386 WeakPolarHBondContact O-CB 3.27Å; Q382-T386 PolarHBondContact O-N 3.21Å; Q382-T386 PolarHBondContact O-OG1 2.92Å; C383-T386 PolarHBondContact O-N 2.68Å; L384-T386 PolarHBondContact O-N 2.95Å; T386-L389 WeakPolarHBondContact O-CB 3.37Å; T386-L389 PolarHBondContact O-N 3.24Å; T386-L390 WeakPolarHBondContact O-CG 3.39Å; T386-L390 PolarHBondContact O-N 3.44Å
387	G	84.3	Confident	79.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.6	-39.7	174.4	0	0	0	0	0	113.3	C383 L384 L389 L390 R391 W439	C383-G387 PolarHBondContact O-N 3.09Å; L384-G387 PolarHBondContact O-N 3.11Å; G387-L389 VanDerWaalsContact C-N 3.31Å; G387-L389 PolarHBondContact O-N 3.19Å; G387-L390 PolarHBondContact O-N 2.78Å; G387-R391 PolarHBondContact O-N 2.99Å; G387-W439 VanDerWaalsContact CA-CE2 3.48Å
388	E	83	Confident	79.1	Confident	67 Å²	67	35 Å²	35	31%	0.313	18%	0.182	S	C	.	.	H	α-helix	trans	-62.7	-39.7	172.1	-71	-157.2	150	0	0	112	L384 R391 N392 K467 Y468	L384-E388 WeakPolarHBondContact O-CG 3.47Å; L384-E388 PolarHBondContact O-N 3.37Å; E388-R391 WeakPolarHBondContact O-CB 3.48Å; E388-R391 PolarHBondContact O-N 3.18Å; E388-N392 WeakPolarHBondContact O-CB 3.18Å; E388-N392 PolarHBondContact O-N 2.91Å; E388-N392 PolarHBondContact O-ND2 2.9Å; E388-N392 PolarHBondContact O-OD1 3.26Å; E388-K467 IonicContact OE1-NZ 2.9Å; E388-Y468 HydrophobicContact CG-CE1 4.36Å
389	L	84	Confident	78	Confident	29 Å²	29	36 Å²	36	15%	0.152	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-46.1	174.7	178.5	74.3	0	0	0	111.8	R270 L273 T274 D385 T386 G387 R391 N392 L393	R270-L389 HydrophobicContact CB-CD2 4.08Å; R270-L389 HydrophobicContact CG-CD2 4.31Å; L273-L389 HydrophobicContact CB-CD2 4.04Å; L273-L389 HydrophobicContact CB-CG 4.33Å; L273-L389 HydrophobicContact CD1-CD2 3.92Å; L273-L389 HydrophobicContact CD1-CG 4.27Å; T274-L389 HydrophobicContact CG2-CD1 3.47Å; T274-L389 VanDerWaalsContact CG2-CD1 3.47Å; D385-L389 WeakPolarHBondContact O-CB 3.36Å; D385-L389 PolarHBondContact O-N 2.78Å; T386-L389 WeakPolarHBondContact O-CB 3.37Å; T386-L389 PolarHBondContact O-N 3.24Å; G387-L389 VanDerWaalsContact C-N 3.31Å; G387-L389 PolarHBondContact O-N 3.19Å; L389-R391 VanDerWaalsContact C-N 3.34Å; L389-R391 PolarHBondContact O-N 3.04Å; L389-N392 PolarHBondContact O-N 2.77Å; L389-L393 WeakPolarHBondContact O-CB 3Å; L389-L393 PolarHBondContact O-N 3.42Å
390	L	84.6	Confident	76.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.3	-44.8	175.7	-69.8	172.7	0	0	0	111	L273 L332 F335 T386 G387 N392 L393 L394 L432 T435 Y436	L273-L390 HydrophobicContact CD1-CD2 3.77Å; L332-L390 HydrophobicContact CD2-CD2 4.08Å; F335-L390 HydrophobicContact CE1-CD1 4.23Å; T386-L390 WeakPolarHBondContact O-CG 3.39Å; T386-L390 PolarHBondContact O-N 3.44Å; G387-L390 PolarHBondContact O-N 2.78Å; L390-N392 PolarHBondContact O-N 3.34Å; L390-L393 WeakPolarHBondContact O-CB 2.77Å; L390-L393 PolarHBondContact O-N 2.92Å; L390-L394 WeakPolarHBondContact O-CB 3.36Å; L390-L394 WeakPolarHBondContact O-CG 3.23Å; L390-L394 PolarHBondContact O-N 2.85Å; L390-L432 HydrophobicContact CD2-CD1 3.56Å; L390-T435 HydrophobicContact CD1-CG2 4.31Å; L390-Y436 HydrophobicContact CB-CD2 3.8Å; L390-Y436 HydrophobicContact CB-CE2 4.46Å
391	R	81.7	Confident	75.2	Confident	31 Å²	31	35.3 Å²	35.3	12%	0.117	19%	0.187	C	C	.	.	H	α-helix	trans	-57.3	-48.8	173.8	-176.3	-160.5	65.1	-150.5	-3.4	111.3	G387 E388 L389 L393 L394 S395 Y436 K467 V472	G387-R391 PolarHBondContact O-N 2.99Å; E388-R391 WeakPolarHBondContact O-CB 3.48Å; E388-R391 PolarHBondContact O-N 3.18Å; L389-R391 VanDerWaalsContact C-N 3.34Å; L389-R391 PolarHBondContact O-N 3.04Å; R391-L393 VanDerWaalsContact C-N 3.31Å; R391-L393 PolarHBondContact O-N 2.8Å; R391-L394 PolarHBondContact O-N 3.43Å; R391-S395 VanDerWaalsContact O-CB 3.29Å; R391-S395 WeakPolarHBondContact O-CB 3.29Å; R391-S395 PolarHBondContact O-N 3.33Å; R391-S395 PolarHBondContact O-OG 3.19Å; R391-Y436 HydrophobicContact CB-CE2 3.84Å; R391-K467 WeakPolarHBondContact CD-O 3.19Å; R391-V472 HydrophobicContact CG-CG2 4.49Å
392	N	79.2	Confident	73.6	Confident	82 Å²	82	38.1 Å²	38.1	44%	0.439	20%	0.196	S	C	.	.	H	α-helix	trans	-63.8	-39.7	-177.1	-67.1	-19.6	0	0	0	111.2	E388 L389 L390 S396	E388-N392 WeakPolarHBondContact O-CB 3.18Å; E388-N392 PolarHBondContact O-N 2.91Å; E388-N392 PolarHBondContact O-ND2 2.9Å; E388-N392 PolarHBondContact O-OD1 3.26Å; L389-N392 PolarHBondContact O-N 2.77Å; L390-N392 PolarHBondContact O-N 3.34Å; N392-S396 WeakPolarHBondContact O-CB 3.3Å; N392-S396 PolarHBondContact O-N 2.86Å
393	L	76.9	Confident	71.8	Confident	16 Å²	16	40.7 Å²	40.7	8%	0.084	21%	0.211	C	C	.	.	H	α-helix	trans	-60.7	-52.5	173.2	-178.7	78.2	0	0	0	111.1	L273 L389 L390 R391 S395 S396 F397 L432	L273-L393 HydrophobicContact CD1-CD2 4.27Å; L273-L393 HydrophobicContact CD2-CD1 4.41Å; L273-L393 HydrophobicContact CD2-CD2 3.52Å; L273-L393 HydrophobicContact CG-CD2 4.36Å; L389-L393 WeakPolarHBondContact O-CB 3Å; L389-L393 PolarHBondContact O-N 3.42Å; L390-L393 WeakPolarHBondContact O-CB 2.77Å; L390-L393 PolarHBondContact O-N 2.92Å; R391-L393 VanDerWaalsContact C-N 3.31Å; R391-L393 PolarHBondContact O-N 2.8Å; L393-S395 PolarHBondContact O-N 3.29Å; L393-S396 WeakPolarHBondContact O-CB 3.36Å; L393-S396 PolarHBondContact O-N 3.12Å; L393-S396 VanDerWaalsContact O-N 3.11Å; L393-S396 PolarHBondContact O-OG 3.36Å; L393-F397 HydrophobicContact CD1-CE2 4.45Å; L393-F397 HydrophobicContact CD1-CZ 4.19Å; L393-F397 HydrophobicContact CD2-CE2 4.1Å; L393-F397 HydrophobicContact CD2-CZ 4.39Å; L393-F397 HydrophobicContact CG-CE2 3.84Å; L393-F397 HydrophobicContact CG-CZ 4.07Å; L393-F397 PolarHBondContact O-N 3.4Å; L393-L432 HydrophobicContact CD2-CD1 4.17Å; L393-L432 HydrophobicContact CD2-CD2 4.01Å
394	L	75.7	Confident	69.8	Low	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.3	-51.9	177.8	-71.7	170.4	0	0	0	110.1	L390 R391 S396 F397 H398 L432 L433 Y436 V472 I475	L390-L394 WeakPolarHBondContact O-CB 3.36Å; L390-L394 WeakPolarHBondContact O-CG 3.23Å; L390-L394 PolarHBondContact O-N 2.85Å; R391-L394 PolarHBondContact O-N 3.43Å; L394-S396 PolarHBondContact O-N 3.04Å; L394-S396 VanDerWaalsContact O-N 3.1Å; L394-F397 HydrophobicContact CD2-CD2 4.24Å; L394-F397 WeakPolarHBondContact O-CA 3.43Å; L394-F397 VanDerWaalsContact O-CB 3.3Å; L394-F397 WeakPolarHBondContact O-CB 3.29Å; L394-F397 PolarHBondContact O-N 3.06Å; L394-H398 PolarHBondContact O-N 3.44Å; L394-L432 HydrophobicContact CD2-CD2 3.84Å; L394-L432 HydrophobicContact CD2-CG 4.34Å; L394-L433 HydrophobicContact CD1-CD2 4.34Å; L394-L433 HydrophobicContact CD2-CD2 3.89Å; L394-Y436 HydrophobicContact CD1-CD1 3.47Å; L394-Y436 VanDerWaalsContact CD1-CD1 3.47Å; L394-Y436 HydrophobicContact CD1-CD2 4.01Å; L394-Y436 HydrophobicContact CD1-CE1 3.97Å; L394-Y436 HydrophobicContact CD1-CE2 4.49Å; L394-Y436 HydrophobicContact CD1-CG 3.48Å; L394-Y436 VanDerWaalsContact CD1-CG 3.48Å; L394-V472 HydrophobicContact CB-CG1 4.31Å; L394-V472 HydrophobicContact CB-CG2 3.81Å; L394-V472 HydrophobicContact CD1-CG1 3.89Å; L394-V472 HydrophobicContact CD1-CG2 4.05Å; L394-I475 HydrophobicContact CB-CD1 3.64Å; L394-I475 HydrophobicContact CD2-CD1 4.23Å; L394-I475 WeakPolarHBondContact O-CD1 3.48Å
395	S	70.9	Confident	67.6	Low	26 Å²	26	51.1 Å²	51.1	18%	0.182	26%	0.261	C	S	.	.	H	α-helix	trans	-54.5	-35.4	177.2	-54	0	0	0	0	112.8	R391 L393 H398 L399 P471	R391-S395 VanDerWaalsContact O-CB 3.29Å; R391-S395 WeakPolarHBondContact O-CB 3.29Å; R391-S395 PolarHBondContact O-N 3.33Å; R391-S395 PolarHBondContact O-OG 3.19Å; L393-S395 PolarHBondContact O-N 3.29Å; S395-H398 WeakPolarHBondContact O-CB 3.47Å; S395-H398 PolarHBondContact O-N 3.21Å; S395-L399 PolarHBondContact O-N 2.75Å; S395-P471 WeakPolarHBondContact OG-CB 3.31Å
396	S	67.9	Low	65.6	Low	50 Å²	50	52.5 Å²	52.5	35%	0.35	28%	0.275	S	S	.	.	H	α-helix	trans	-66.5	-35.9	175.4	81	0	0	0	0	112.7	N392 L393 L394 H398 L399 S400	N392-S396 WeakPolarHBondContact O-CB 3.3Å; N392-S396 PolarHBondContact O-N 2.86Å; L393-S396 WeakPolarHBondContact O-CB 3.36Å; L393-S396 PolarHBondContact O-N 3.12Å; L393-S396 VanDerWaalsContact O-N 3.11Å; L393-S396 PolarHBondContact O-OG 3.36Å; L394-S396 PolarHBondContact O-N 3.04Å; L394-S396 VanDerWaalsContact O-N 3.1Å; S396-H398 VanDerWaalsContact C-N 3.29Å; S396-H398 PolarHBondContact O-N 2.73Å; S396-L399 PolarHBondContact O-N 3.1Å; S396-S400 PolarHBondContact O-N 3.47Å; S396-S400 VanDerWaalsContact O-N 3.09Å
397	F	66.2	Low	63.3	Low	8 Å²	8	56.6 Å²	56.6	4%	0.035	31%	0.305	C	S	.	.	H	α-helix	trans	-62.7	-37.9	172	-62.9	-48.4	0	0	0	111.1	L393 L394 L399 S400 I401 F416 L417 L432 I475	L393-F397 HydrophobicContact CD1-CE2 4.45Å; L393-F397 HydrophobicContact CD1-CZ 4.19Å; L393-F397 HydrophobicContact CD2-CE2 4.1Å; L393-F397 HydrophobicContact CD2-CZ 4.39Å; L393-F397 HydrophobicContact CG-CE2 3.84Å; L393-F397 HydrophobicContact CG-CZ 4.07Å; L393-F397 PolarHBondContact O-N 3.4Å; L394-F397 HydrophobicContact CD2-CD2 4.24Å; L394-F397 WeakPolarHBondContact O-CA 3.43Å; L394-F397 VanDerWaalsContact O-CB 3.3Å; L394-F397 WeakPolarHBondContact O-CB 3.29Å; L394-F397 PolarHBondContact O-N 3.06Å; F397-L399 PolarHBondContact O-N 2.8Å; F397-S400 WeakPolarHBondContact CA-OG 3.29Å; F397-S400 PolarHBondContact O-N 3.25Å; F397-S400 PolarHBondContact O-OG 3.03Å; F397-I401 WeakPolarHBondContact O-CD1 3.28Å; F397-I401 VanDerWaalsContact O-CG1 3.26Å; F397-I401 WeakPolarHBondContact O-CG1 3.21Å; F397-I401 PolarHBondContact O-N 3.19Å; F397-F416 HydrophobicContact CE1-CD1 4.36Å; F397-F416 HydrophobicContact CE2-CD1 4.04Å; F397-F416 HydrophobicContact CE2-CE1 4.19Å; F397-F416 AromaticContact CZ-CD1 3.68Å; F397-F416 HydrophobicContact CZ-CD1 3.68Å; F397-F416 HydrophobicContact CZ-CE1 4.01Å; F397-F416 HydrophobicContact CZ-CG 4.25Å; F397-L417 HydrophobicContact CD2-CD1 4.49Å; F397-L432 HydrophobicContact CE2-CD2 4.1Å; F397-I475 HydrophobicContact CB-CD1 4.41Å
398	H	61.5	Low	61	Low	25 Å²	25	58.2 Å²	58.2	12%	0.116	32%	0.315	C	S	.	.	H	α-helix	trans	-61.3	-45.7	175	-179.7	44.9	0	0	0	113	L394 S395 S396 S400 I401 K402 P474 I475	L394-H398 PolarHBondContact O-N 3.44Å; S395-H398 WeakPolarHBondContact O-CB 3.47Å; S395-H398 PolarHBondContact O-N 3.21Å; S396-H398 VanDerWaalsContact C-N 3.29Å; S396-H398 PolarHBondContact O-N 2.73Å; H398-S400 PolarHBondContact O-N 3.41Å; H398-I401 PolarHBondContact O-N 3.49Å; H398-I401 VanDerWaalsContact O-N 3.14Å; H398-K402 VanDerWaalsContact CE1-CE 3.44Å; H398-K402 WeakPolarHBondContact CE1-CE 3.12Å; H398-K402 WeakPolarHBondContact NE2-CD 3.47Å; H398-K402 VanDerWaalsContact NE2-CE 3.26Å; H398-K402 WeakPolarHBondContact NE2-CE 3.36Å; H398-K402 PolarHBondContact NE2-NZ 3.13Å; H398-K402 PolarHBondContact O-N 3.02Å; H398-P474 WeakPolarHBondContact CE1-CB 3.31Å; H398-P474 WeakPolarHBondContact ND1-CB 3.31Å; H398-I475 HydrophobicContact CB-CD1 4.48Å; H398-I475 HydrophobicContact CB-CG1 3.94Å
399	L	57.7	Low	58.7	Low	107 Å²	107	62.5 Å²	62.5	56%	0.56	34%	0.335	S	S	*	.	H	α-helix	trans	-60.1	-37.5	177.5	-71.2	171.1	0	0	0	111.6	S395 S396 F397 N403	S395-L399 PolarHBondContact O-N 2.75Å; S396-L399 PolarHBondContact O-N 3.1Å; F397-L399 PolarHBondContact O-N 2.8Å; L399-N403 WeakPolarHBondContact O-CB 3.39Å; L399-N403 PolarHBondContact O-N 3.22Å; L399-N403 VanDerWaalsContact O-N 3.11Å
400	S	52.7	Low	56.3	Low	9 Å²	9	64.8 Å²	64.8	6%	0.063	35%	0.347	C	S	.	.	H	α-helix	trans	-65.4	-39.1	174.9	71.6	0	0	0	0	113.5	S396 F397 H398	S396-S400 PolarHBondContact O-N 3.47Å; S396-S400 VanDerWaalsContact O-N 3.09Å; F397-S400 WeakPolarHBondContact CA-OG 3.29Å; F397-S400 PolarHBondContact O-N 3.25Å; F397-S400 PolarHBondContact O-OG 3.03Å; H398-S400 PolarHBondContact O-N 3.41Å
401	I	51.9	Low	53.8	Low	29 Å²	29	66.7 Å²	66.7	15%	0.149	36%	0.36	C	S	.	.	H	α-helix	trans	-68.5	-38.6	179.1	-68.3	161	0	0	0	111.2	F397 H398 Q404 T414 T478	F397-I401 WeakPolarHBondContact O-CD1 3.28Å; F397-I401 VanDerWaalsContact O-CG1 3.26Å; F397-I401 WeakPolarHBondContact O-CG1 3.21Å; F397-I401 PolarHBondContact O-N 3.19Å; H398-I401 PolarHBondContact O-N 3.49Å; H398-I401 VanDerWaalsContact O-N 3.14Å; I401-Q404 WeakPolarHBondContact O-CG 3.37Å; I401-T414 HydrophobicContact CG1-CG2 3.94Å; I401-T478 HydrophobicContact CD1-CG2 4.11Å; I401-T478 HydrophobicContact CG2-CG2 3.89Å
402	K	47	Very low	51.7	Low	143 Å²	143	70 Å²	70	62%	0.622	38%	0.38	S	S	*	.	H	α-helix	trans	-71	-38.8	178.7	-97.2	-178.7	174.6	158.3	0	112.9	H398 Q404	H398-K402 VanDerWaalsContact CE1-CE 3.44Å; H398-K402 WeakPolarHBondContact CE1-CE 3.12Å; H398-K402 WeakPolarHBondContact NE2-CD 3.47Å; H398-K402 VanDerWaalsContact NE2-CE 3.26Å; H398-K402 WeakPolarHBondContact NE2-CE 3.36Å; H398-K402 PolarHBondContact NE2-NZ 3.13Å; H398-K402 PolarHBondContact O-N 3.02Å; K402-Q404 PolarHBondContact O-N 3.02Å
403	N	45.2	Very low	50.1	Low	101 Å²	101	68 Å²	68	54%	0.54	37%	0.369	S	S	.	.			trans	-82.4	68.5	178	-67.3	-16.3	0	0	0	109.4	L399 D405	L399-N403 WeakPolarHBondContact O-CB 3.39Å; L399-N403 PolarHBondContact O-N 3.22Å; L399-N403 VanDerWaalsContact O-N 3.11Å; N403-D405 PolarHBondContact O-N 3.14Å
404	Q	43.1	Very low	48.6	Very low	160 Å²	160	68.5 Å²	68.5	75%	0.748	37%	0.373	S	S	*	.			trans	-68.8	48.9	169.8	-64.1	-173.7	-7.5	0	0	111.5	I401 K402 P406	I401-Q404 WeakPolarHBondContact O-CG 3.37Å; K402-Q404 PolarHBondContact O-N 3.02Å; Q404-P406 VanDerWaalsContact O-CD 3.28Å; Q404-P406 WeakPolarHBondContact O-CD 3.15Å
405	D	38	Very low	47.4	Very low	91 Å²	91	71.2 Å²	71.2	49%	0.487	39%	0.385	S	S	.	.			trans	-80.9	112.4	165	-165.4	14.9	0	0	0	106	N403 S407 C408	N403-D405 PolarHBondContact O-N 3.14Å; D405-S407 VanDerWaalsContact CG-OG 3.31Å; D405-S407 PolarHBondContact O-N 2.93Å; D405-S407 PolarHBondContact OD1-OG 3.29Å; D405-S407 PolarHBondContact OD2-OG 2.91Å; D405-C408 HydrophobicContact CB-CB 4.15Å; D405-C408 WeakPolarHBondContact O-CA 3.27Å; D405-C408 WeakPolarHBondContact O-CB 3.3Å; D405-C408 PolarHBondContact O-N 3.35Å
406	P	41	Very low	46.6	Very low	122 Å²	122	71.6 Å²	71.6	79%	0.792	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.1	-176.4	23.2	-32.1	0	0	0	113.1	Q404	Q404-P406 VanDerWaalsContact O-CD 3.28Å; Q404-P406 WeakPolarHBondContact O-CD 3.15Å
407	S	36.3	Very low	46.1	Very low	93 Å²	93	69.7 Å²	69.7	65%	0.65	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.1	169.4	41.8	0	0	0	0	114.5	D405 E409	D405-S407 VanDerWaalsContact CG-OG 3.31Å; D405-S407 PolarHBondContact O-N 2.93Å; D405-S407 PolarHBondContact OD1-OG 3.29Å; D405-S407 PolarHBondContact OD2-OG 2.91Å; S407-E409 PolarHBondContact O-N 3.44Å
408	C	36.8	Very low	45.7	Very low	33 Å²	33	69.5 Å²	69.5	22%	0.223	37%	0.369	C	S	.	.			trans	-72.8	110.6	173.9	-159.8	0	0	0	0	107.5	D405 I410 C411	D405-C408 HydrophobicContact CB-CB 4.15Å; D405-C408 WeakPolarHBondContact O-CA 3.27Å; D405-C408 WeakPolarHBondContact O-CB 3.3Å; D405-C408 PolarHBondContact O-N 3.35Å; C408-I410 PolarHBondContact O-N 3.09Å; C408-I410 VanDerWaalsContact SG-CB 3.55Å; C408-I410 WeakPolarHBondContact SG-CD1 3.14Å; C408-I410 WeakPolarHBondContact SG-CG1 3.47Å; C408-C411 PolarHBondContact O-N 2.82Å
409	E	35.4	Very low	45.5	Very low	157 Å²	157	70 Å²	70	73%	0.734	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-49.5	-20.5	171.7	-72.7	179.5	159.3	0	0	112.2	S407	S407-E409 PolarHBondContact O-N 3.44Å
410	I	33.5	Very low	45.4	Very low	78 Å²	78	70.8 Å²	70.8	40%	0.4	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-74.4	-16.1	178	-34.9	175.7	0	0	0	113.3	C408 N412 D413	C408-I410 PolarHBondContact O-N 3.09Å; C408-I410 VanDerWaalsContact SG-CB 3.55Å; C408-I410 WeakPolarHBondContact SG-CD1 3.14Å; C408-I410 WeakPolarHBondContact SG-CG1 3.47Å; I410-N412 PolarHBondContact O-N 3.38Å; I410-D413 HydrophobicContact CG2-CB 4.24Å; I410-D413 WeakPolarHBondContact CG2-OD2 3.42Å; I410-D413 WeakPolarHBondContact O-CB 3.16Å; I410-D413 PolarHBondContact O-N 2.84Å
411	C	31.8	Very low	45.4	Very low	40 Å²	40	75.2 Å²	75.2	27%	0.27	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-65	-20.1	174	-93.7	0	0	0	0	113	C408 D413	C408-C411 PolarHBondContact O-N 2.82Å; C411-D413 PolarHBondContact O-N 3.1Å
412	N	37.6	Very low	45.5	Very low	101 Å²	101	76.7 Å²	76.7	54%	0.54	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-70.6	-11.5	169.8	-70.1	-11.9	0	0	0	112.5	I410 T414 H415	I410-N412 PolarHBondContact O-N 3.38Å; N412-T414 PolarHBondContact O-N 2.82Å; N412-H415 VanDerWaalsContact O-CB 3.26Å; N412-H415 WeakPolarHBondContact O-CB 3.48Å; N412-H415 PolarHBondContact O-CD2 3.23Å; N412-H415 PolarHBondContact O-N 3.17Å
413	D	45.8	Very low	45.8	Very low	38 Å²	38	71.4 Å²	71.4	20%	0.203	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-76.5	-17.5	-175.4	-80.5	-5.5	0	0	0	114.4	K276 I410 C411 H415 F416	K276-D413 IonicContact NZ-OD2 3.53Å; K276-D413 PolarHBondContact NZ-OD2 3.26Å; I410-D413 HydrophobicContact CG2-CB 4.24Å; I410-D413 WeakPolarHBondContact CG2-OD2 3.42Å; I410-D413 WeakPolarHBondContact O-CB 3.16Å; I410-D413 PolarHBondContact O-N 2.84Å; C411-D413 PolarHBondContact O-N 3.1Å; D413-H415 PolarHBondContact O-N 3.34Å; D413-H415 VanDerWaalsContact O-N 3.11Å; D413-F416 WeakPolarHBondContact O-CB 2.97Å; D413-F416 PolarHBondContact O-N 2.99Å
414	T	45	Very low	46.3	Very low	28 Å²	28	68.5 Å²	68.5	17%	0.172	37%	0.374	C	S	.	.	H	α-helix	trans	-59.4	-22.7	170.1	53	0	0	0	0	112	I401 N412 F416 L417 W418 K420	I401-T414 HydrophobicContact CG1-CG2 3.94Å; N412-T414 PolarHBondContact O-N 2.82Å; T414-F416 PolarHBondContact O-N 2.82Å; T414-L417 PolarHBondContact O-N 2.84Å; T414-W418 CarbonylContact O-C 3.5Å; T414-W418 WeakPolarHBondContact O-CA 3.49Å; T414-W418 WeakPolarHBondContact O-CB 3.34Å; T414-W418 PolarHBondContact O-N 2.75Å; T414-K420 WeakPolarHBondContact OG1-CE 3.4Å
415	H	50.8	Low	47	Very low	56 Å²	56	61 Å²	61	26%	0.259	34%	0.339	S	S	.	.	H	α-helix	trans	-62.1	-16.6	171.4	-72.1	-85.2	0	0	0	114.1	N412 D413 W418 K426	N412-H415 VanDerWaalsContact O-CB 3.26Å; N412-H415 WeakPolarHBondContact O-CB 3.48Å; N412-H415 PolarHBondContact O-CD2 3.23Å; N412-H415 PolarHBondContact O-N 3.17Å; D413-H415 PolarHBondContact O-N 3.34Å; D413-H415 VanDerWaalsContact O-N 3.11Å; H415-W418 VanDerWaalsContact CA-O 3.25Å; H415-W418 WeakPolarHBondContact CA-O 3.46Å; H415-K426 WeakPolarHBondContact O-CD 3.16Å; H415-K426 WeakPolarHBondContact O-CE 3.24Å; H415-K426 PolarHBondContact O-NZ 3.46Å
416	F	54.3	Low	48.2	Very low	35 Å²	35	58.6 Å²	58.6	15%	0.154	32%	0.324	C	S	.	.	H	α-helix	trans	-74.2	-43.8	178.8	-178.3	-97.1	0	0	0	112.2	F397 D413 T414 K426 L428 L432	F397-F416 HydrophobicContact CE1-CD1 4.36Å; F397-F416 HydrophobicContact CE2-CD1 4.04Å; F397-F416 HydrophobicContact CE2-CE1 4.19Å; F397-F416 AromaticContact CZ-CD1 3.68Å; F397-F416 HydrophobicContact CZ-CD1 3.68Å; F397-F416 HydrophobicContact CZ-CE1 4.01Å; F397-F416 HydrophobicContact CZ-CG 4.25Å; D413-F416 WeakPolarHBondContact O-CB 2.97Å; D413-F416 PolarHBondContact O-N 2.99Å; T414-F416 PolarHBondContact O-N 2.82Å; F416-K426 WeakPolarHBondContact O-CB 3.16Å; F416-L428 HydrophobicContact CE2-CD2 3.6Å; F416-L428 HydrophobicContact CE2-CG 4.27Å; F416-L428 HydrophobicContact CZ-CD2 3.71Å; F416-L428 HydrophobicContact CZ-CG 3.9Å; F416-L432 HydrophobicContact CE1-CD2 3.89Å
417	L	57.1	Low	49.3	Very low	10 Å²	10	55.8 Å²	55.8	5%	0.052	31%	0.307	C	S	.	.	H	α-helix	trans	-91	-32.6	178.5	-63	167.7	0	0	0	111.6	F397 T414 I425 K426 I475 L479	F397-L417 HydrophobicContact CD2-CD1 4.49Å; T414-L417 PolarHBondContact O-N 2.84Å; L417-I425 VanDerWaalsContact O-CA 3.3Å; L417-I425 WeakPolarHBondContact O-CA 3.4Å; L417-K426 PolarHBondContact O-N 3.34Å; L417-I475 HydrophobicContact CD1-CG2 3.37Å; L417-L479 HydrophobicContact CB-CD1 4.37Å; L417-L479 HydrophobicContact CB-CD2 3.65Å; L417-L479 HydrophobicContact CB-CG 4.44Å; L417-L479 HydrophobicContact CD1-CD1 4.14Å; L417-L479 HydrophobicContact CD1-CG 4.47Å
418	W	56.3	Low	50.8	Low	3 Å²	3	51.6 Å²	51.6	1%	0.011	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	111.2	-169.6	-169.1	-92.1	0	0	0	111.1	T414 H415 K420 N423 E424 I425 L479 N482 F483	T414-W418 CarbonylContact O-C 3.5Å; T414-W418 WeakPolarHBondContact O-CA 3.49Å; T414-W418 WeakPolarHBondContact O-CB 3.34Å; T414-W418 PolarHBondContact O-N 2.75Å; H415-W418 VanDerWaalsContact CA-O 3.25Å; H415-W418 WeakPolarHBondContact CA-O 3.46Å; W418-K420 PolarHBondContact O-N 3.43Å; W418-K420 VanDerWaalsContact O-N 3.12Å; W418-N423 HydrophobicContact CZ2-CB 4.28Å; W418-N423 WeakPolarHBondContact CZ2-O 3.1Å; W418-N423 WeakPolarHBondContact CZ2-OD1 3.3Å; W418-N423 PolarHBondContact NE1-OD1 3.2Å; W418-E424 CarbonylContact C-O 3.33Å; W418-E424 WeakPolarHBondContact CA-O 3.31Å; W418-I425 HydrophobicContact CE3-CG1 3.66Å; W418-I425 HydrophobicContact CZ3-CD1 4.27Å; W418-I425 HydrophobicContact CZ3-CG1 3.46Å; W418-I425 VanDerWaalsContact CZ3-CG1 3.46Å; W418-L479 HydrophobicContact CB-CD2 4.4Å; W418-L479 HydrophobicContact CE3-CD2 4.05Å; W418-N482 HydrophobicContact CD2-CB 4.18Å; W418-N482 HydrophobicContact CE3-CB 4.5Å; W418-N482 HydrophobicContact CZ2-CB 4.38Å; W418-F483 HydrophobicContact CH2-CB 3.39Å; W418-F483 AromaticContact CH2-CD2 3.34Å; W418-F483 HydrophobicContact CH2-CD2 3.34Å; W418-F483 HydrophobicContact CH2-CE2 4.46Å; W418-F483 AromaticContact CH2-CG 3.77Å; W418-F483 HydrophobicContact CH2-CG 3.77Å; W418-F483 HydrophobicContact CZ2-CB 4.44Å; W418-F483 HydrophobicContact CZ3-CB 3.55Å; W418-F483 AromaticContact CZ3-CD2 3.65Å; W418-F483 HydrophobicContact CZ3-CD2 3.65Å; W418-F483 HydrophobicContact CZ3-CG 4.05Å
419	D	57.5	Low	52.2	Low	36 Å²	36	50 Å²	50	19%	0.193	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	103.3	169.3	-159.6	-38.7	0	0	0	109.6	S421 V422 N423 E424 K426	D419-S421 PolarHBondContact O-N 2.97Å; D419-S421 WeakPolarHBondContact OD1-CB 2.82Å; D419-S421 PolarHBondContact OD1-N 3.35Å; D419-S421 PolarHBondContact OD1-OG 3.2Å; D419-V422 HydrophobicContact CB-CB 4.46Å; D419-V422 PolarHBondContact O-N 2.9Å; D419-N423 WeakPolarHBondContact O-CA 3.41Å; D419-N423 PolarHBondContact O-N 3.5Å; D419-E424 PolarHBondContact N-O 3.42Å; D419-E424 PolarHBondContact O-N 2.97Å; D419-K426 HydrophobicContact CB-CG 4.3Å; D419-K426 WeakPolarHBondContact OD2-CE 3.44Å
420	K	56.4	Low	53.7	Low	123 Å²	123	42.6 Å²	42.6	54%	0.535	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.3	176.9	-71.7	-176.4	179.5	173.9	0	113.2	T414 W418	T414-K420 WeakPolarHBondContact OG1-CE 3.4Å; W418-K420 PolarHBondContact O-N 3.43Å; W418-K420 VanDerWaalsContact O-N 3.12Å
421	S	52.9	Low	55.5	Low	103 Å²	103	39.8 Å²	39.8	72%	0.72	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-34.1	-177.7	70.4	0	0	0	0	112	D419	D419-S421 PolarHBondContact O-N 2.97Å; D419-S421 WeakPolarHBondContact OD1-CB 2.82Å; D419-S421 PolarHBondContact OD1-N 3.35Å; D419-S421 PolarHBondContact OD1-OG 3.2Å
422	V	53.3	Low	57.7	Low	60 Å²	60	38 Å²	38	36%	0.364	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-7.8	-179.7	-162.4	0	0	0	0	112	D419 E424 K503	D419-V422 HydrophobicContact CB-CB 4.46Å; D419-V422 PolarHBondContact O-N 2.9Å; V422-E424 VanDerWaalsContact C-N 3.3Å; V422-E424 HydrophobicContact CB-CB 4.19Å; V422-E424 HydrophobicContact CG1-CB 4.26Å; V422-E424 PolarHBondContact O-N 2.9Å; V422-K503 HydrophobicContact CG1-CD 4.05Å
423	N	53.7	Low	59.4	Low	32 Å²	32	33.2 Å²	33.2	17%	0.171	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	45.4	-173.4	-147	40	0	0	0	112.3	W418 D419 N486 H487	W418-N423 HydrophobicContact CZ2-CB 4.28Å; W418-N423 WeakPolarHBondContact CZ2-O 3.1Å; W418-N423 WeakPolarHBondContact CZ2-OD1 3.3Å; W418-N423 PolarHBondContact NE1-OD1 3.2Å; D419-N423 WeakPolarHBondContact O-CA 3.41Å; D419-N423 PolarHBondContact O-N 3.5Å; N423-N486 WeakPolarHBondContact ND2-CB 3.16Å; N423-H487 PolarHBondContact ND2-CD2 2.92Å; N423-H487 PolarHBondContact ND2-CE1 3.43Å; N423-H487 VanDerWaalsContact ND2-CE1 3.29Å; N423-H487 PolarHBondContact ND2-ND1 3.02Å; N423-H487 PolarHBondContact ND2-NE2 3.4Å; N423-H487 VanDerWaalsContact ND2-NE2 3.19Å; N423-H487 PolarHBondContact O-NE2 3.27Å
424	E	56.3	Low	60.8	Low	39 Å²	39	32.7 Å²	32.7	18%	0.182	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.9	-170	-159.6	-176.2	159.2	0	0	111.3	W418 D419 V422 K426 S507	W418-E424 CarbonylContact C-O 3.33Å; W418-E424 WeakPolarHBondContact CA-O 3.31Å; D419-E424 PolarHBondContact N-O 3.42Å; D419-E424 PolarHBondContact O-N 2.97Å; V422-E424 VanDerWaalsContact C-N 3.3Å; V422-E424 HydrophobicContact CB-CB 4.19Å; V422-E424 HydrophobicContact CG1-CB 4.26Å; V422-E424 PolarHBondContact O-N 2.9Å; E424-K426 PolarHBondContact O-N 3.16Å; E424-S507 WeakPolarHBondContact CG-OG 3.48Å
425	I	57.9	Low	62.5	Low	2 Å²	2	31.4 Å²	31.4	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	124.3	166	-62.6	-171.6	0	0	0	108.4	L417 W418 A430 S507 I511	L417-I425 VanDerWaalsContact O-CA 3.3Å; L417-I425 WeakPolarHBondContact O-CA 3.4Å; W418-I425 HydrophobicContact CE3-CG1 3.66Å; W418-I425 HydrophobicContact CZ3-CD1 4.27Å; W418-I425 HydrophobicContact CZ3-CG1 3.46Å; W418-I425 VanDerWaalsContact CZ3-CG1 3.46Å; I425-A430 HydrophobicContact CG2-CB 4.3Å; I425-S507 PolarHBondContact N-OG 2.98Å; I425-I511 HydrophobicContact CD1-CD1 3.68Å; I425-I511 HydrophobicContact CD1-CG1 3.32Å
426	K	63.5	Low	64	Low	41 Å²	41	28.7 Å²	28.7	18%	0.178	16%	0.156	C	C	.	.			trans	-65	136.2	176.1	-70.6	-167.4	176.9	170.3	0	110.1	H415 F416 L417 D419 E424 L428 G429 A430	H415-K426 WeakPolarHBondContact O-CD 3.16Å; H415-K426 WeakPolarHBondContact O-CE 3.24Å; H415-K426 PolarHBondContact O-NZ 3.46Å; F416-K426 WeakPolarHBondContact O-CB 3.16Å; L417-K426 PolarHBondContact O-N 3.34Å; D419-K426 HydrophobicContact CB-CG 4.3Å; D419-K426 WeakPolarHBondContact OD2-CE 3.44Å; E424-K426 PolarHBondContact O-N 3.16Å; K426-L428 PolarHBondContact O-N 2.96Å; K426-L428 VanDerWaalsContact O-N 3.13Å; K426-G429 WeakPolarHBondContact O-CA 3.37Å; K426-G429 PolarHBondContact O-N 2.99Å; K426-A430 PolarHBondContact O-N 2.86Å
427	P	63.7	Low	65.1	Low	64 Å²	64	27 Å²	27	42%	0.416	15%	0.149	S	C	.	.	H	α-helix	trans	-50	-43.1	-178.7	-29.8	33.8	0	0	0	113.7	G429 A430 V431	P427-G429 VanDerWaalsContact C-N 3.28Å; P427-G429 PolarHBondContact O-N 2.96Å; P427-A430 WeakPolarHBondContact O-CB 3.22Å; P427-A430 PolarHBondContact O-N 3.18Å; P427-A430 VanDerWaalsContact O-N 3.11Å; P427-V431 WeakPolarHBondContact O-CG2 3.41Å; P427-V431 PolarHBondContact O-N 3.11Å
428	L	66.7	Low	66	Low	4 Å²	4	26.6 Å²	26.6	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-60.8	-35.1	177.5	-175.8	62.5	0	0	0	113.3	R325 L328 E329 L332 F416 K426 L432	R325-L428 HydrophobicContact CG-CD2 3.89Å; L328-L428 HydrophobicContact CD2-CD2 4.2Å; L328-L428 HydrophobicContact CG-CD1 4.45Å; E329-L428 HydrophobicContact CB-CD1 3.76Å; E329-L428 HydrophobicContact CG-CD1 4.04Å; L332-L428 HydrophobicContact CD1-CD1 3.83Å; F416-L428 HydrophobicContact CE2-CD2 3.6Å; F416-L428 HydrophobicContact CE2-CG 4.27Å; F416-L428 HydrophobicContact CZ-CD2 3.71Å; F416-L428 HydrophobicContact CZ-CG 3.9Å; K426-L428 PolarHBondContact O-N 2.96Å; K426-L428 VanDerWaalsContact O-N 3.13Å; L428-L432 VanDerWaalsContact O-CB 3.31Å; L428-L432 WeakPolarHBondContact O-CB 3.25Å; L428-L432 PolarHBondContact O-N 2.92Å
429	G	66.7	Low	67.3	Low	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-68.4	-37.4	175.9	0	0	0	0	0	112.4	K426 P427 L433	K426-G429 WeakPolarHBondContact O-CA 3.37Å; K426-G429 PolarHBondContact O-N 2.99Å; P427-G429 VanDerWaalsContact C-N 3.28Å; P427-G429 PolarHBondContact O-N 2.96Å; G429-L433 WeakPolarHBondContact O-CG 3.37Å; G429-L433 PolarHBondContact O-N 2.86Å; G429-L433 VanDerWaalsContact O-N 3.15Å
430	A	67.2	Low	68.2	Low	2 Å²	2	24.8 Å²	24.8	2%	0.017	14%	0.137	C	C	.	.	H	α-helix	trans	-65.6	-50.4	173.5	0	0	0	0	0	111	I425 K426 P427 L432 L433 E434 N510 I514	I425-A430 HydrophobicContact CG2-CB 4.3Å; K426-A430 PolarHBondContact O-N 2.86Å; P427-A430 WeakPolarHBondContact O-CB 3.22Å; P427-A430 PolarHBondContact O-N 3.18Å; P427-A430 VanDerWaalsContact O-N 3.11Å; A430-L432 VanDerWaalsContact C-N 3.29Å; A430-L432 PolarHBondContact O-N 2.86Å; A430-L433 PolarHBondContact O-N 3.49Å; A430-L433 VanDerWaalsContact O-N 3.13Å; A430-E434 WeakPolarHBondContact O-CB 3.16Å; A430-E434 WeakPolarHBondContact O-CG 3.29Å; A430-E434 PolarHBondContact O-N 3.16Å; A430-N510 HydrophobicContact CB-CB 4.03Å; A430-I514 HydrophobicContact CB-CD1 4.41Å
431	V	70.8	Confident	68.9	Low	18 Å²	18	19.6 Å²	19.6	11%	0.109	12%	0.115	C	C	.	.	H	α-helix	trans	-57.1	-42.1	177.2	175.1	0	0	0	0	111.4	L332 L333 P427 T435	L332-V431 HydrophobicContact CB-CG1 3.67Å; L332-V431 HydrophobicContact CD1-CG1 4.44Å; L333-V431 HydrophobicContact CD2-CG1 3.84Å; L333-V431 HydrophobicContact CD2-CG2 4.06Å; L333-V431 HydrophobicContact CG-CG1 4.03Å; P427-V431 WeakPolarHBondContact O-CG2 3.41Å; P427-V431 PolarHBondContact O-N 3.11Å; V431-T435 VanDerWaalsContact O-CB 3.23Å; V431-T435 WeakPolarHBondContact O-CB 3.48Å; V431-T435 PolarHBondContact O-N 3.42Å; V431-T435 PolarHBondContact O-OG1 3.34Å
432	L	78	Confident	70	Confident	2 Å²	2	14.9 Å²	14.9	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-60.3	-47.1	176.8	179.8	70.9	0	0	0	112.3	L332 L390 L393 L394 F397 F416 L428 A430 Y436	L332-L432 HydrophobicContact CD1-CB 4.19Å; L332-L432 HydrophobicContact CD1-CD1 4.04Å; L332-L432 HydrophobicContact CD2-CD1 3.93Å; L390-L432 HydrophobicContact CD2-CD1 3.56Å; L393-L432 HydrophobicContact CD2-CD1 4.17Å; L393-L432 HydrophobicContact CD2-CD2 4.01Å; L394-L432 HydrophobicContact CD2-CD2 3.84Å; L394-L432 HydrophobicContact CD2-CG 4.34Å; F397-L432 HydrophobicContact CE2-CD2 4.1Å; F416-L432 HydrophobicContact CE1-CD2 3.89Å; L428-L432 VanDerWaalsContact O-CB 3.31Å; L428-L432 WeakPolarHBondContact O-CB 3.25Å; L428-L432 PolarHBondContact O-N 2.92Å; A430-L432 VanDerWaalsContact C-N 3.29Å; A430-L432 PolarHBondContact O-N 2.86Å; L432-Y436 WeakPolarHBondContact O-CB 3.46Å; L432-Y436 PolarHBondContact O-N 3.37Å
433	L	73.8	Confident	71	Confident	1 Å²	1	12.6 Å²	12.6	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-67.9	-45.3	-179.8	-77.1	171.9	0	0	0	111.5	L394 G429 A430 T435 Y436 F437 V472 L476 L479 I514	L394-L433 HydrophobicContact CD1-CD2 4.34Å; L394-L433 HydrophobicContact CD2-CD2 3.89Å; G429-L433 WeakPolarHBondContact O-CG 3.37Å; G429-L433 PolarHBondContact O-N 2.86Å; G429-L433 VanDerWaalsContact O-N 3.15Å; A430-L433 PolarHBondContact O-N 3.49Å; A430-L433 VanDerWaalsContact O-N 3.13Å; L433-T435 PolarHBondContact O-N 3.03Å; L433-Y436 WeakPolarHBondContact O-CB 3.18Å; L433-Y436 PolarHBondContact O-N 2.9Å; L433-F437 HydrophobicContact CB-CD2 4.43Å; L433-F437 HydrophobicContact CB-CE2 3.98Å; L433-F437 HydrophobicContact CD2-CE2 4.05Å; L433-F437 HydrophobicContact CD2-CZ 4.24Å; L433-F437 WeakPolarHBondContact O-CD2 3.48Å; L433-F437 WeakPolarHBondContact O-CG 3.33Å; L433-F437 PolarHBondContact O-N 3.47Å; L433-V472 HydrophobicContact CD2-CG1 4.4Å; L433-L476 HydrophobicContact CD1-CD2 4.29Å; L433-L476 HydrophobicContact CD2-CD2 4.43Å; L433-L479 HydrophobicContact CD1-CD1 3.56Å; L433-I514 HydrophobicContact CB-CD1 4.11Å; L433-I514 HydrophobicContact CB-CG1 4.22Å; L433-I514 HydrophobicContact CD1-CD1 3.95Å
434	E	75.7	Confident	71.7	Confident	28 Å²	28	11.8 Å²	11.8	13%	0.131	6%	0.061	C	C	.	.	H	α-helix	trans	-58	-48.4	176	-72.1	177.3	-161.1	0	0	111.5	A430 Y436 F437 S438 T513 I514	A430-E434 WeakPolarHBondContact O-CB 3.16Å; A430-E434 WeakPolarHBondContact O-CG 3.29Å; A430-E434 PolarHBondContact O-N 3.16Å; E434-Y436 VanDerWaalsContact C-N 3.27Å; E434-Y436 PolarHBondContact O-N 3.31Å; E434-F437 PolarHBondContact O-N 3.26Å; E434-S438 PolarHBondContact O-N 3.2Å; E434-S438 PolarHBondContact O-OG 2.79Å; E434-T513 HydrophobicContact CG-CG2 4.29Å; E434-I514 HydrophobicContact CG-CG1 3.96Å
435	T	79.4	Confident	72.3	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-57.9	-42	176.6	-58	0	0	0	0	111.4	L332 F335 Q336 L339 L390 V431 L433 W439	L332-T435 HydrophobicContact CD2-CG2 4.22Å; L332-T435 PolarHBondContact O-OG1 2.91Å; F335-T435 HydrophobicContact CD1-CG2 3.56Å; F335-T435 HydrophobicContact CE1-CG2 4.26Å; Q336-T435 HydrophobicContact CB-CG2 4.49Å; L339-T435 HydrophobicContact CD1-CG2 4.22Å; L339-T435 WeakPolarHBondContact CD1-O 3.3Å; L390-T435 HydrophobicContact CD1-CG2 4.31Å; V431-T435 VanDerWaalsContact O-CB 3.23Å; V431-T435 WeakPolarHBondContact O-CB 3.48Å; V431-T435 PolarHBondContact O-N 3.42Å; V431-T435 PolarHBondContact O-OG1 3.34Å; L433-T435 PolarHBondContact O-N 3.03Å; T435-W439 PolarHBondContact O-N 3.1Å; T435-W439 VanDerWaalsContact O-N 3.08Å
436	Y	82.2	Confident	72.8	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.2	-42.7	178.2	-179.6	-111.9	0	0	0	112.8	L390 R391 L394 L432 L433 E434 W439 I440 Y468 V472	L390-Y436 HydrophobicContact CB-CD2 3.8Å; L390-Y436 HydrophobicContact CB-CE2 4.46Å; R391-Y436 HydrophobicContact CB-CE2 3.84Å; L394-Y436 HydrophobicContact CD1-CD1 3.47Å; L394-Y436 VanDerWaalsContact CD1-CD1 3.47Å; L394-Y436 HydrophobicContact CD1-CD2 4.01Å; L394-Y436 HydrophobicContact CD1-CE1 3.97Å; L394-Y436 HydrophobicContact CD1-CE2 4.49Å; L394-Y436 HydrophobicContact CD1-CG 3.48Å; L394-Y436 VanDerWaalsContact CD1-CG 3.48Å; L432-Y436 WeakPolarHBondContact O-CB 3.46Å; L432-Y436 PolarHBondContact O-N 3.37Å; L433-Y436 WeakPolarHBondContact O-CB 3.18Å; L433-Y436 PolarHBondContact O-N 2.9Å; E434-Y436 VanDerWaalsContact C-N 3.27Å; E434-Y436 PolarHBondContact O-N 3.31Å; Y436-W439 HydrophobicContact CD2-CE3 4.42Å; Y436-W439 HydrophobicContact CE2-CE3 4.04Å; Y436-W439 HydrophobicContact CE2-CZ3 4.26Å; Y436-W439 WeakPolarHBondContact O-CB 3.36Å; Y436-W439 PolarHBondContact O-N 2.87Å; Y436-I440 HydrophobicContact CD1-CD1 3.77Å; Y436-I440 HydrophobicContact CE1-CD1 3.2Å; Y436-I440 HydrophobicContact CE1-CG1 4.07Å; Y436-I440 HydrophobicContact CE2-CD1 4.32Å; Y436-I440 HydrophobicContact CE2-CG1 4.33Å; Y436-I440 WeakPolarHBondContact O-CG1 3.36Å; Y436-I440 PolarHBondContact O-N 3.3Å; Y436-Y468 PolarHBondContact OH-O 3.31Å; Y436-V472 HydrophobicContact CD1-CG1 4.2Å; Y436-V472 HydrophobicContact CD1-CG2 4.39Å; Y436-V472 HydrophobicContact CE1-CB 4Å; Y436-V472 HydrophobicContact CE1-CG1 3.97Å; Y436-V472 HydrophobicContact CE1-CG2 3.54Å
437	F	77.1	Confident	72.9	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-69.9	-37.6	178	-65.1	-53	0	0	0	112.5	L433 E434 W439 I440 E441 L469 V472 L476 I514 Q517 L518 I521	L433-F437 HydrophobicContact CB-CD2 4.43Å; L433-F437 HydrophobicContact CB-CE2 3.98Å; L433-F437 HydrophobicContact CD2-CE2 4.05Å; L433-F437 HydrophobicContact CD2-CZ 4.24Å; L433-F437 WeakPolarHBondContact O-CD2 3.48Å; L433-F437 WeakPolarHBondContact O-CG 3.33Å; L433-F437 PolarHBondContact O-N 3.47Å; E434-F437 PolarHBondContact O-N 3.26Å; F437-W439 PolarHBondContact O-N 3.48Å; F437-I440 HydrophobicContact CD1-CD1 3.87Å; F437-I440 HydrophobicContact CE1-CD1 4.21Å; F437-I440 PolarHBondContact O-N 3.45Å; F437-I440 VanDerWaalsContact O-N 3.16Å; F437-E441 PolarHBondContact O-N 2.97Å; F437-L469 HydrophobicContact CE1-CD2 4.27Å; F437-V472 HydrophobicContact CZ-CG1 4.34Å; F437-L476 HydrophobicContact CE1-CD1 4.18Å; F437-L476 HydrophobicContact CE2-CD1 4.3Å; F437-L476 HydrophobicContact CE2-CD2 3.99Å; F437-L476 HydrophobicContact CZ-CD1 3.51Å; F437-L476 HydrophobicContact CZ-CD2 3.95Å; F437-L476 HydrophobicContact CZ-CG 4Å; F437-I514 HydrophobicContact CD2-CG2 3.94Å; F437-I514 HydrophobicContact CE2-CG2 3.56Å; F437-Q517 HydrophobicContact CB-CB 3.8Å; F437-L518 HydrophobicContact CD1-CD1 3.94Å; F437-L518 HydrophobicContact CE1-CD1 3.63Å; F437-L518 HydrophobicContact CZ-CD1 4.14Å; F437-I521 HydrophobicContact CD1-CD1 4.34Å
438	S	76.9	Confident	72.6	Confident	1 Å²	1	14.6 Å²	14.6	1%	0.007	7%	0.073	C	C	.	.	H	α-helix	trans	-60.4	-35.4	171.1	-61.8	0	0	0	0	112	Q343 E434 L442 Q517	Q343-S438 PolarHBondContact NE2-O 3.5Å; E434-S438 PolarHBondContact O-N 3.2Å; E434-S438 PolarHBondContact O-OG 2.79Å; S438-L442 WeakPolarHBondContact O-CB 3.48Å; S438-L442 PolarHBondContact O-N 3.1Å; S438-L442 VanDerWaalsContact O-N 3.07Å; S438-Q517 PolarHBondContact OG-OE1 3.42Å
439	W	83.2	Confident	71.9	Confident	1 Å²	1	22.1 Å²	22.1	0%	0.004	11%	0.11	C	C	.	.	H	α-helix	trans	-67.4	-43.7	173.2	176.2	87.2	0	0	0	112.2	L339 C383 L384 G387 T435 Y436 F437 E441 L442 Y443 Y468	L339-W439 HydrophobicContact CD1-CB 3.83Å; L339-W439 HydrophobicContact CD2-CB 4.3Å; C383-W439 PolarHBondContact O-NE1 2.76Å; L384-W439 HydrophobicContact CD2-CZ2 4.06Å; G387-W439 VanDerWaalsContact CA-CE2 3.48Å; T435-W439 PolarHBondContact O-N 3.1Å; T435-W439 VanDerWaalsContact O-N 3.08Å; Y436-W439 HydrophobicContact CD2-CE3 4.42Å; Y436-W439 HydrophobicContact CE2-CE3 4.04Å; Y436-W439 HydrophobicContact CE2-CZ3 4.26Å; Y436-W439 WeakPolarHBondContact O-CB 3.36Å; Y436-W439 PolarHBondContact O-N 2.87Å; F437-W439 PolarHBondContact O-N 3.48Å; W439-E441 VanDerWaalsContact C-N 3.32Å; W439-E441 PolarHBondContact O-N 3.12Å; W439-L442 PolarHBondContact O-N 2.89Å; W439-Y443 HydrophobicContact CH2-CD2 4.11Å; W439-Y443 HydrophobicContact CH2-CG 4.29Å; W439-Y443 AromaticContact CZ2-CD2 3.98Å; W439-Y443 HydrophobicContact CZ2-CD2 3.98Å; W439-Y443 HydrophobicContact CZ2-CG 4.42Å; W439-Y443 WeakPolarHBondContact O-CB 3.3Å; W439-Y443 PolarHBondContact O-N 3.33Å; W439-Y468 AromaticContact CH2-CD1 3.59Å; W439-Y468 HydrophobicContact CH2-CD1 3.59Å; W439-Y468 AromaticContact CH2-CE1 3.53Å; W439-Y468 HydrophobicContact CH2-CE1 3.53Å; W439-Y468 HydrophobicContact CH2-CG 4.38Å; W439-Y468 AromaticContact CZ3-CD1 3.68Å; W439-Y468 HydrophobicContact CZ3-CD1 3.68Å; W439-Y468 HydrophobicContact CZ3-CE1 4.13Å; W439-Y468 HydrophobicContact CZ3-CG 4.26Å
440	I	76.4	Confident	71.1	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-44.1	176.5	-66.8	167.4	0	0	0	110.6	Y436 F437 L442 Y443 F444 L464 L469 I521	Y436-I440 HydrophobicContact CD1-CD1 3.77Å; Y436-I440 HydrophobicContact CE1-CD1 3.2Å; Y436-I440 HydrophobicContact CE1-CG1 4.07Å; Y436-I440 HydrophobicContact CE2-CD1 4.32Å; Y436-I440 HydrophobicContact CE2-CG1 4.33Å; Y436-I440 WeakPolarHBondContact O-CG1 3.36Å; Y436-I440 PolarHBondContact O-N 3.3Å; F437-I440 HydrophobicContact CD1-CD1 3.87Å; F437-I440 HydrophobicContact CE1-CD1 4.21Å; F437-I440 PolarHBondContact O-N 3.45Å; F437-I440 VanDerWaalsContact O-N 3.16Å; I440-L442 VanDerWaalsContact C-N 3.35Å; I440-L442 PolarHBondContact O-N 3.32Å; I440-Y443 WeakPolarHBondContact O-CB 3.49Å; I440-Y443 PolarHBondContact O-N 3.3Å; I440-F444 PolarHBondContact O-N 2.89Å; I440-L464 HydrophobicContact CG2-CD1 3.6Å; I440-L464 HydrophobicContact CG2-CD2 4.32Å; I440-L464 HydrophobicContact CG2-CG 4.05Å; I440-L469 HydrophobicContact CD1-CD2 3.87Å; I440-L469 HydrophobicContact CD1-CG 4.15Å; I440-I521 HydrophobicContact CB-CD1 4.07Å; I440-I521 HydrophobicContact CG2-CD1 3.63Å; I440-I521 HydrophobicContact CG2-CG1 4.09Å; I440-I521 HydrophobicContact CG2-CG2 4.21Å
441	E	72.2	Confident	70.2	Confident	13 Å²	13	31.8 Å²	31.8	6%	0.061	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-46.1	177.5	-174.3	-166.7	175	0	0	111.2	Q343 F437 W439 F444 K445 I521	Q343-E441 VanDerWaalsContact NE2-CD 3.3Å; Q343-E441 PolarHBondContact NE2-OE2 3.06Å; F437-E441 PolarHBondContact O-N 2.97Å; W439-E441 VanDerWaalsContact C-N 3.32Å; W439-E441 PolarHBondContact O-N 3.12Å; E441-F444 PolarHBondContact O-N 3.44Å; E441-K445 HydrophobicContact CG-CD 4.49Å; E441-K445 WeakPolarHBondContact O-CG 3.46Å; E441-K445 PolarHBondContact O-N 2.77Å; E441-K445 VanDerWaalsContact OE1-CE 3.27Å; E441-K445 WeakPolarHBondContact OE1-CE 3.22Å; E441-K445 IonicContact OE1-NZ 2.69Å; E441-K445 PolarHBondContact OE1-NZ 3.23Å; E441-I521 HydrophobicContact CB-CG1 4.49Å
442	L	74.8	Confident	69.1	Low	4 Å²	4	40.1 Å²	40.1	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-64.2	-41.4	176.8	179.3	64	0	0	0	112	L339 L342 Q343 W380 S438 W439 I440 F444 K445 T446	L339-L442 HydrophobicContact CB-CD2 4.45Å; L339-L442 HydrophobicContact CD2-CD2 3.61Å; L342-L442 HydrophobicContact CB-CD1 3.98Å; L342-L442 HydrophobicContact CB-CD2 3.58Å; L342-L442 HydrophobicContact CB-CG 4.45Å; L342-L442 HydrophobicContact CD1-CD2 3.75Å; L342-L442 HydrophobicContact CG-CD2 4.32Å; Q343-L442 HydrophobicContact CB-CD1 4.41Å; Q343-L442 HydrophobicContact CG-CB 3.96Å; Q343-L442 HydrophobicContact CG-CD1 3.71Å; Q343-L442 HydrophobicContact CG-CG 4.33Å; W380-L442 HydrophobicContact CE3-CD2 4.5Å; W380-L442 HydrophobicContact CH2-CD2 4.41Å; W380-L442 HydrophobicContact CH2-CG 4.05Å; W380-L442 HydrophobicContact CZ3-CD2 3.62Å; W380-L442 HydrophobicContact CZ3-CG 3.71Å; S438-L442 WeakPolarHBondContact O-CB 3.48Å; S438-L442 PolarHBondContact O-N 3.1Å; S438-L442 VanDerWaalsContact O-N 3.07Å; W439-L442 PolarHBondContact O-N 2.89Å; I440-L442 VanDerWaalsContact C-N 3.35Å; I440-L442 PolarHBondContact O-N 3.32Å; L442-F444 VanDerWaalsContact C-N 3.33Å; L442-F444 PolarHBondContact O-N 3.19Å; L442-K445 PolarHBondContact O-N 3.33Å; L442-T446 HydrophobicContact CD1-CG2 4.05Å; L442-T446 HydrophobicContact CG-CG2 4.48Å; L442-T446 WeakPolarHBondContact O-CB 3.25Å; L442-T446 WeakPolarHBondContact O-CG2 3.21Å; L442-T446 PolarHBondContact O-N 2.89Å; L442-T446 PolarHBondContact O-OG1 2.7Å
443	Y	75.3	Confident	67.9	Low	12 Å²	12	46 Å²	46	5%	0.047	22%	0.22	C	C	.	.	H	α-helix	trans	-58.8	-45.4	175.1	-179.6	-90.1	0	0	0	111.4	W380 L384 W439 I440 T446 H447 L464 Y468	W380-Y443 HydrophobicContact CZ2-CD2 4.43Å; L384-Y443 HydrophobicContact CD2-CD2 3.49Å; L384-Y443 VanDerWaalsContact CD2-CD2 3.49Å; L384-Y443 HydrophobicContact CD2-CE2 3.71Å; W439-Y443 HydrophobicContact CH2-CD2 4.11Å; W439-Y443 HydrophobicContact CH2-CG 4.29Å; W439-Y443 AromaticContact CZ2-CD2 3.98Å; W439-Y443 HydrophobicContact CZ2-CD2 3.98Å; W439-Y443 HydrophobicContact CZ2-CG 4.42Å; W439-Y443 WeakPolarHBondContact O-CB 3.3Å; W439-Y443 PolarHBondContact O-N 3.33Å; I440-Y443 WeakPolarHBondContact O-CB 3.49Å; I440-Y443 PolarHBondContact O-N 3.3Å; Y443-T446 PolarHBondContact O-OG1 2.92Å; Y443-H447 AromaticContact CD2-CE1 3.41Å; Y443-H447 VanDerWaalsContact CD2-CE1 3.41Å; Y443-H447 WeakPolarHBondContact CD2-CE1 3.22Å; Y443-H447 AromaticContact CD2-ND1 3.7Å; Y443-H447 AromaticContact CE2-CE1 3.13Å; Y443-H447 WeakPolarHBondContact CE2-CE1 3.45Å; Y443-H447 AromaticContact CE2-ND1 3.66Å; Y443-H447 AromaticContact CE2-NE2 3.63Å; Y443-H447 AromaticContact CG-ND1 3.95Å; Y443-H447 AromaticContact CZ-CE1 3.68Å; Y443-H447 AromaticContact CZ-ND1 3.89Å; Y443-H447 AromaticContact CZ-NE2 3.9Å; Y443-H447 PolarHBondContact O-N 3.17Å; Y443-H447 VanDerWaalsContact O-N 3.17Å; Y443-H447 PolarHBondContact O-ND1 2.91Å; Y443-L464 HydrophobicContact CD1-CD1 4.06Å; Y443-Y468 HydrophobicContact CE1-CD2 4.49Å; Y443-Y468 AromaticContact CE1-CE2 3.98Å; Y443-Y468 HydrophobicContact CE1-CE2 3.98Å; Y443-Y468 AromaticContact CZ-CE2 3.93Å
444	F	68	Low	67.1	Low	16 Å²	16	52.2 Å²	52.2	7%	0.07	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-51.8	177.3	-177.3	-88.5	0	0	0	111.9	I440 E441 L442 T446 H447 C448 F461 L464 P522	I440-F444 PolarHBondContact O-N 2.89Å; E441-F444 PolarHBondContact O-N 3.44Å; L442-F444 VanDerWaalsContact C-N 3.33Å; L442-F444 PolarHBondContact O-N 3.19Å; F444-T446 VanDerWaalsContact C-N 3.27Å; F444-T446 PolarHBondContact O-N 3.12Å; F444-H447 PolarHBondContact O-N 3.46Å; F444-C448 HydrophobicContact CD1-CB 4.35Å; F444-C448 HydrophobicContact CE1-CB 3.78Å; F444-C448 HydrophobicContact CE2-CB 4.09Å; F444-C448 WeakPolarHBondContact CE2-SG 3.38Å; F444-C448 HydrophobicContact CZ-CB 3.65Å; F444-C448 WeakPolarHBondContact CZ-SG 3.24Å; F444-C448 WeakPolarHBondContact O-CB 3.23Å; F444-C448 PolarHBondContact O-N 3.35Å; F444-F461 HydrophobicContact CD2-CD1 4.21Å; F444-F461 AromaticContact CD2-CE1 3.86Å; F444-F461 HydrophobicContact CD2-CE1 3.86Å; F444-F461 HydrophobicContact CD2-CZ 4.42Å; F444-F461 HydrophobicContact CE1-CZ 4.33Å; F444-F461 AromaticContact CE2-CD1 3.49Å; F444-F461 HydrophobicContact CE2-CD1 3.49Å; F444-F461 VanDerWaalsContact CE2-CD1 3.49Å; F444-F461 HydrophobicContact CE2-CD2 4.26Å; F444-F461 AromaticContact CE2-CE1 2.97Å; F444-F461 HydrophobicContact CE2-CE1 2.97Å; F444-F461 AromaticContact CE2-CE2 3.86Å; F444-F461 HydrophobicContact CE2-CE2 3.86Å; F444-F461 HydrophobicContact CE2-CG 4.1Å; F444-F461 AromaticContact CE2-CZ 3.21Å; F444-F461 HydrophobicContact CE2-CZ 3.21Å; F444-F461 HydrophobicContact CZ-CD1 4.31Å; F444-F461 AromaticContact CZ-CE1 3.42Å; F444-F461 HydrophobicContact CZ-CE1 3.42Å; F444-F461 VanDerWaalsContact CZ-CE1 3.42Å; F444-F461 AromaticContact CZ-CE2 3.84Å; F444-F461 HydrophobicContact CZ-CE2 3.84Å; F444-F461 AromaticContact CZ-CZ 3.14Å; F444-F461 HydrophobicContact CZ-CZ 3.14Å; F444-L464 HydrophobicContact CB-CD1 3.77Å; F444-L464 HydrophobicContact CD2-CD1 3.99Å; F444-L464 HydrophobicContact CG-CD1 4.36Å; F444-P522 HydrophobicContact CD1-CB 3.76Å; F444-P522 VanDerWaalsContact CD1-CD 3.4Å; F444-P522 HydrophobicContact CD1-CG 3.3Å; F444-P522 HydrophobicContact CE1-CB 3.29Å; F444-P522 HydrophobicContact CE1-CG 3.28Å; F444-P522 HydrophobicContact CG-CG 4.27Å; F444-P522 HydrophobicContact CZ-CB 3.76Å; F444-P522 HydrophobicContact CZ-CG 4.23Å
445	K	67.8	Low	65.9	Low	80 Å²	80	59.9 Å²	59.9	35%	0.348	29%	0.286	S	S	.	.	H	α-helix	trans	-58.1	-41.1	-177.6	-76	-178.2	-176.6	170.6	0	112	E441 L442 M449	E441-K445 HydrophobicContact CG-CD 4.49Å; E441-K445 WeakPolarHBondContact O-CG 3.46Å; E441-K445 PolarHBondContact O-N 2.77Å; E441-K445 VanDerWaalsContact OE1-CE 3.27Å; E441-K445 WeakPolarHBondContact OE1-CE 3.22Å; E441-K445 IonicContact OE1-NZ 2.69Å; E441-K445 PolarHBondContact OE1-NZ 3.23Å; L442-K445 PolarHBondContact O-N 3.33Å; K445-M449 WeakPolarHBondContact O-CB 3.45Å; K445-M449 WeakPolarHBondContact O-CG 3.31Å; K445-M449 PolarHBondContact O-N 2.89Å
446	T	68.9	Low	64.8	Low	51 Å²	51	63.7 Å²	63.7	31%	0.313	30%	0.303	S	S	.	.	H	α-helix	trans	-70.7	-37.7	-179.5	49.1	0	0	0	0	113	W380 L442 Y443 F444	W380-T446 HydrophobicContact CH2-CG2 4.08Å; W380-T446 WeakPolarHBondContact CH2-OG1 3.32Å; W380-T446 HydrophobicContact CZ2-CG2 4.17Å; W380-T446 WeakPolarHBondContact CZ2-OG1 3.23Å; W380-T446 HydrophobicContact CZ3-CG2 4.46Å; L442-T446 HydrophobicContact CD1-CG2 4.05Å; L442-T446 HydrophobicContact CG-CG2 4.48Å; L442-T446 WeakPolarHBondContact O-CB 3.25Å; L442-T446 WeakPolarHBondContact O-CG2 3.21Å; L442-T446 PolarHBondContact O-N 2.89Å; L442-T446 PolarHBondContact O-OG1 2.7Å; Y443-T446 PolarHBondContact O-OG1 2.92Å; F444-T446 VanDerWaalsContact C-N 3.27Å; F444-T446 PolarHBondContact O-N 3.12Å
447	H	66.9	Low	63.7	Low	58 Å²	58	65.6 Å²	65.6	27%	0.269	31%	0.313	S	S	.	.	H	α-helix	trans	-87.3	-24.9	-177.1	-68.7	78.6	0	0	0	113.9	W380 Y443 F444 L451 V460	W380-H447 AromaticContact CZ2-CE1 3.72Å; Y443-H447 AromaticContact CD2-CE1 3.41Å; Y443-H447 VanDerWaalsContact CD2-CE1 3.41Å; Y443-H447 WeakPolarHBondContact CD2-CE1 3.22Å; Y443-H447 AromaticContact CD2-ND1 3.7Å; Y443-H447 AromaticContact CE2-CE1 3.13Å; Y443-H447 WeakPolarHBondContact CE2-CE1 3.45Å; Y443-H447 AromaticContact CE2-ND1 3.66Å; Y443-H447 AromaticContact CE2-NE2 3.63Å; Y443-H447 AromaticContact CG-ND1 3.95Å; Y443-H447 AromaticContact CZ-CE1 3.68Å; Y443-H447 AromaticContact CZ-ND1 3.89Å; Y443-H447 AromaticContact CZ-NE2 3.9Å; Y443-H447 PolarHBondContact O-N 3.17Å; Y443-H447 VanDerWaalsContact O-N 3.17Å; Y443-H447 PolarHBondContact O-ND1 2.91Å; F444-H447 PolarHBondContact O-N 3.46Å; H447-L451 VanDerWaalsContact O-CD1 3.26Å; H447-L451 WeakPolarHBondContact O-CD1 3.36Å; H447-L451 WeakPolarHBondContact O-CG 3.5Å; H447-V460 HydrophobicContact CB-CG1 3.94Å
448	C	56.6	Low	62.8	Low	16 Å²	16	69.5 Å²	69.5	11%	0.108	33%	0.333	C	S	.	.	H	α-helix	trans	-92.7	-28	-178.1	-71.8	0	0	0	0	114.3	F444 E450 L451 V460	F444-C448 HydrophobicContact CD1-CB 4.35Å; F444-C448 HydrophobicContact CE1-CB 3.78Å; F444-C448 HydrophobicContact CE2-CB 4.09Å; F444-C448 WeakPolarHBondContact CE2-SG 3.38Å; F444-C448 HydrophobicContact CZ-CB 3.65Å; F444-C448 WeakPolarHBondContact CZ-SG 3.24Å; F444-C448 WeakPolarHBondContact O-CB 3.23Å; F444-C448 PolarHBondContact O-N 3.35Å; C448-E450 PolarHBondContact O-N 2.92Å; C448-L451 PolarHBondContact O-N 3.01Å; C448-L451 VanDerWaalsContact O-N 3.12Å; C448-V460 VanDerWaalsContact SG-CG1 3.57Å
449	M	52.7	Low	62.2	Low	161 Å²	161	72.6 Å²	72.6	79%	0.793	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-22.6	176.3	-72.4	-81	-86.2	0	0	112.7	K445	K445-M449 WeakPolarHBondContact O-CB 3.45Å; K445-M449 WeakPolarHBondContact O-CG 3.31Å; K445-M449 PolarHBondContact O-N 2.89Å
450	E	49.2	Very low	61.3	Low	167 Å²	167	73.3 Å²	73.3	78%	0.78	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-13.3	176.4	-67.4	-169.5	162.7	0	0	113.8	C448	C448-E450 PolarHBondContact O-N 2.92Å
451	L	47.5	Very low	60.7	Low	38 Å²	38	74.7 Å²	74.7	20%	0.199	37%	0.365	C	S	.	.			trans	-101.1	100	-169.7	-61.6	174.5	0	0	0	110.6	H447 C448 K453 E456 I457 V460	H447-L451 VanDerWaalsContact O-CD1 3.26Å; H447-L451 WeakPolarHBondContact O-CD1 3.36Å; H447-L451 WeakPolarHBondContact O-CG 3.5Å; C448-L451 PolarHBondContact O-N 3.01Å; C448-L451 VanDerWaalsContact O-N 3.12Å; L451-K453 PolarHBondContact O-N 3.31Å; L451-E456 HydrophobicContact CB-CB 4.2Å; L451-E456 HydrophobicContact CD1-CB 3.99Å; L451-E456 HydrophobicContact CD2-CB 3.79Å; L451-E456 WeakPolarHBondContact CD2-OE2 3.08Å; L451-E456 HydrophobicContact CG-CB 4.2Å; L451-I457 HydrophobicContact CB-CG1 3.77Å; L451-I457 WeakPolarHBondContact O-CD1 3.49Å; L451-V460 HydrophobicContact CD1-CB 4.34Å; L451-V460 HydrophobicContact CD1-CG2 3.39Å
452	E	49.1	Very low	60.3	Low	193 Å²	193	79.8 Å²	79.8	90%	0.902	39%	0.389	S	S	*	.			trans	-69.1	-7.6	176.2	-71.1	-175.4	163.2	0	0	113.8
453	K	52.2	Low	60	Low	127 Å²	127	83 Å²	83	55%	0.552	40%	0.403	S	S	*	.	S	Bend	trans	-119.6	126.5	-170.2	-65.7	178	-172.3	161.9	0	112.7	L451 F455 E456 I457	L451-K453 PolarHBondContact O-N 3.31Å; K453-F455 PolarHBondContact O-N 3.2Å; K453-E456 HydrophobicContact CB-CG 4.43Å; K453-E456 PolarHBondContact O-N 2.88Å; K453-I457 PolarHBondContact O-N 3.08Å; K453-I457 VanDerWaalsContact O-N 3.14Å
454	D	56.5	Low	59.7	Low	131 Å²	131	82.5 Å²	82.5	70%	0.701	40%	0.401	S	S	*	.	H	α-helix	trans	-46.5	-41.4	177.2	-65.3	-24.1	0	0	0	113.7	E456 I457 M458	D454-E456 PolarHBondContact O-N 2.97Å; D454-I457 PolarHBondContact O-N 2.8Å; D454-M458 WeakPolarHBondContact O-CB 3.42Å; D454-M458 VanDerWaalsContact O-CG 3.25Å; D454-M458 WeakPolarHBondContact O-CG 3.44Å; D454-M458 PolarHBondContact O-N 2.76Å
455	F	51.8	Low	59.4	Low	188 Å²	188	84.8 Å²	84.8	83%	0.825	41%	0.411	S	S	*	.	H	α-helix	trans	-65	-38.9	179.8	-77.1	-77	0	0	0	113.5	K453 M458 S459	K453-F455 PolarHBondContact O-N 3.2Å; F455-M458 PolarHBondContact O-N 3.01Å; F455-S459 PolarHBondContact O-N 3.26Å; F455-S459 VanDerWaalsContact O-N 3.15Å
456	E	55.4	Low	59.4	Low	80 Å²	80	85.6 Å²	85.6	37%	0.374	42%	0.42	S	S	.	.	H	α-helix	trans	-73.6	-40.4	-179.9	-65.9	169.6	-177	0	0	109.6	L451 K453 D454 M458 S459 V460	L451-E456 HydrophobicContact CB-CB 4.2Å; L451-E456 HydrophobicContact CD1-CB 3.99Å; L451-E456 HydrophobicContact CD2-CB 3.79Å; L451-E456 WeakPolarHBondContact CD2-OE2 3.08Å; L451-E456 HydrophobicContact CG-CB 4.2Å; K453-E456 HydrophobicContact CB-CG 4.43Å; K453-E456 PolarHBondContact O-N 2.88Å; D454-E456 PolarHBondContact O-N 2.97Å; E456-M458 VanDerWaalsContact C-N 3.3Å; E456-M458 PolarHBondContact O-N 2.85Å; E456-S459 PolarHBondContact O-N 3.49Å; E456-S459 VanDerWaalsContact O-N 3.1Å; E456-S459 PolarHBondContact O-OG 3.2Å; E456-V460 PolarHBondContact O-N 2.93Å
457	I	58.3	Low	59.4	Low	41 Å²	41	87 Å²	87	21%	0.21	42%	0.422	C	S	.	.	H	α-helix	trans	-56.8	-45.3	172.2	-60.6	173	0	0	0	110.4	L451 K453 D454 S459 V460 F461	L451-I457 HydrophobicContact CB-CG1 3.77Å; L451-I457 WeakPolarHBondContact O-CD1 3.49Å; K453-I457 PolarHBondContact O-N 3.08Å; K453-I457 VanDerWaalsContact O-N 3.14Å; D454-I457 PolarHBondContact O-N 2.8Å; I457-S459 VanDerWaalsContact C-N 3.3Å; I457-S459 PolarHBondContact O-N 3Å; I457-V460 PolarHBondContact O-N 3Å; I457-F461 HydrophobicContact CG2-CD2 3.58Å; I457-F461 HydrophobicContact CG2-CE2 3.34Å; I457-F461 HydrophobicContact CG2-CZ 4.45Å; I457-F461 WeakPolarHBondContact O-CD2 3.38Å; I457-F461 PolarHBondContact O-N 2.96Å
458	M	60	Low	59.7	Low	82 Å²	82	84.6 Å²	84.6	40%	0.404	41%	0.41	S	S	.	.	H	α-helix	trans	-61.3	-37	176.8	-74.3	-62.4	-71	0	0	112.7	D454 F455 E456 F461 E462 N524	D454-M458 WeakPolarHBondContact O-CB 3.42Å; D454-M458 VanDerWaalsContact O-CG 3.25Å; D454-M458 WeakPolarHBondContact O-CG 3.44Å; D454-M458 PolarHBondContact O-N 2.76Å; F455-M458 PolarHBondContact O-N 3.01Å; E456-M458 VanDerWaalsContact C-N 3.3Å; E456-M458 PolarHBondContact O-N 2.85Å; M458-F461 WeakPolarHBondContact O-CB 3.21Å; M458-F461 PolarHBondContact O-N 3.31Å; M458-F461 HydrophobicContact SD-CD2 4.46Å; M458-E462 WeakPolarHBondContact O-CG 3.12Å; M458-E462 PolarHBondContact O-N 3.24Å; M458-N524 WeakPolarHBondContact CE-ND2 3.23Å
459	S	64.2	Low	60.2	Low	65 Å²	65	83.9 Å²	83.9	46%	0.455	41%	0.405	S	S	.	.	H	α-helix	trans	-67.1	-39.7	176	74.9	0	0	0	0	112.8	F455 E456 I457 F461 E462 E463	F455-S459 PolarHBondContact O-N 3.26Å; F455-S459 VanDerWaalsContact O-N 3.15Å; E456-S459 PolarHBondContact O-N 3.49Å; E456-S459 VanDerWaalsContact O-N 3.1Å; E456-S459 PolarHBondContact O-OG 3.2Å; I457-S459 VanDerWaalsContact C-N 3.3Å; I457-S459 PolarHBondContact O-N 3Å; S459-F461 VanDerWaalsContact C-N 3.34Å; S459-E462 PolarHBondContact O-N 3.47Å; S459-E463 PolarHBondContact O-N 3.36Å
460	V	62.7	Low	60.7	Low	17 Å²	17	78.9 Å²	78.9	10%	0.103	38%	0.384	C	S	.	.	H	α-helix	trans	-66.1	-39.4	174.1	175.6	0	0	0	0	110.6	H447 C448 L451 E456 I457 E463 L464	H447-V460 HydrophobicContact CB-CG1 3.94Å; C448-V460 VanDerWaalsContact SG-CG1 3.57Å; L451-V460 HydrophobicContact CD1-CB 4.34Å; L451-V460 HydrophobicContact CD1-CG2 3.39Å; E456-V460 PolarHBondContact O-N 2.93Å; I457-V460 PolarHBondContact O-N 3Å; V460-E463 PolarHBondContact O-N 3.47Å; V460-L464 VanDerWaalsContact O-CB 3.28Å; V460-L464 WeakPolarHBondContact O-CB 3.45Å; V460-L464 PolarHBondContact O-N 3.29Å
461	F	63.8	Low	61.5	Low	29 Å²	29	72.7 Å²	72.7	13%	0.127	36%	0.358	C	S	.	.	H	α-helix	trans	-60.6	-45.7	172.5	-86.4	-59.3	0	0	0	112.7	F444 I457 M458 S459 E463 L464 F465 P522 N524	F444-F461 HydrophobicContact CD2-CD1 4.21Å; F444-F461 AromaticContact CD2-CE1 3.86Å; F444-F461 HydrophobicContact CD2-CE1 3.86Å; F444-F461 HydrophobicContact CD2-CZ 4.42Å; F444-F461 HydrophobicContact CE1-CZ 4.33Å; F444-F461 AromaticContact CE2-CD1 3.49Å; F444-F461 HydrophobicContact CE2-CD1 3.49Å; F444-F461 VanDerWaalsContact CE2-CD1 3.49Å; F444-F461 HydrophobicContact CE2-CD2 4.26Å; F444-F461 AromaticContact CE2-CE1 2.97Å; F444-F461 HydrophobicContact CE2-CE1 2.97Å; F444-F461 AromaticContact CE2-CE2 3.86Å; F444-F461 HydrophobicContact CE2-CE2 3.86Å; F444-F461 HydrophobicContact CE2-CG 4.1Å; F444-F461 AromaticContact CE2-CZ 3.21Å; F444-F461 HydrophobicContact CE2-CZ 3.21Å; F444-F461 HydrophobicContact CZ-CD1 4.31Å; F444-F461 AromaticContact CZ-CE1 3.42Å; F444-F461 HydrophobicContact CZ-CE1 3.42Å; F444-F461 VanDerWaalsContact CZ-CE1 3.42Å; F444-F461 AromaticContact CZ-CE2 3.84Å; F444-F461 HydrophobicContact CZ-CE2 3.84Å; F444-F461 AromaticContact CZ-CZ 3.14Å; F444-F461 HydrophobicContact CZ-CZ 3.14Å; I457-F461 HydrophobicContact CG2-CD2 3.58Å; I457-F461 HydrophobicContact CG2-CE2 3.34Å; I457-F461 HydrophobicContact CG2-CZ 4.45Å; I457-F461 WeakPolarHBondContact O-CD2 3.38Å; I457-F461 PolarHBondContact O-N 2.96Å; M458-F461 WeakPolarHBondContact O-CB 3.21Å; M458-F461 PolarHBondContact O-N 3.31Å; M458-F461 HydrophobicContact SD-CD2 4.46Å; S459-F461 VanDerWaalsContact C-N 3.34Å; F461-E463 VanDerWaalsContact C-N 3.31Å; F461-E463 PolarHBondContact O-N 2.77Å; F461-L464 PolarHBondContact O-N 2.88Å; F461-F465 VanDerWaalsContact O-CB 3.29Å; F461-F465 WeakPolarHBondContact O-CB 3.33Å; F461-F465 PolarHBondContact O-N 3.49Å; F461-P522 WeakPolarHBondContact CE1-O 3.27Å; F461-N524 HydrophobicContact CD1-CB 4.38Å
462	E	64.5	Low	62.4	Low	120 Å²	120	70.9 Å²	70.9	56%	0.561	35%	0.348	S	S	*	.	H	α-helix	trans	-61.3	-41	176.2	-79.3	-175.7	178.2	0	0	111.3	M458 S459 N466	M458-E462 WeakPolarHBondContact O-CG 3.12Å; M458-E462 PolarHBondContact O-N 3.24Å; S459-E462 PolarHBondContact O-N 3.47Å; E462-N466 WeakPolarHBondContact O-CB 3.32Å; E462-N466 VanDerWaalsContact O-CG 3.26Å; E462-N466 PolarHBondContact O-N 3.38Å; E462-N466 PolarHBondContact O-ND2 3.38Å
463	E	69.1	Low	63	Low	71 Å²	71	63.1 Å²	63.1	33%	0.332	31%	0.313	S	S	.	.	H	α-helix	trans	-63.4	-50.7	173.8	-171.6	179	175.1	0	0	111	S459 V460 F461 F465 N466 K467 Y468	S459-E463 PolarHBondContact O-N 3.36Å; V460-E463 PolarHBondContact O-N 3.47Å; F461-E463 VanDerWaalsContact C-N 3.31Å; F461-E463 PolarHBondContact O-N 2.77Å; E463-F465 VanDerWaalsContact C-N 3.31Å; E463-F465 PolarHBondContact O-N 2.89Å; E463-N466 PolarHBondContact O-N 2.93Å; E463-K467 HydrophobicContact CG-CB 4.08Å; E463-K467 HydrophobicContact CG-CD 3.81Å; E463-K467 WeakPolarHBondContact O-CA 3.46Å; E463-K467 WeakPolarHBondContact O-CB 3.23Å; E463-K467 PolarHBondContact O-N 2.88Å; E463-K467 WeakPolarHBondContact OE1-CD 3.41Å; E463-K467 IonicContact OE1-NZ 3.78Å; E463-K467 PolarHBondContact OE1-NZ 2.86Å; E463-Y468 HydrophobicContact CG-CE2 3.96Å; E463-Y468 PolarHBondContact OE1-OH 3.43Å
464	L	68.1	Low	63.4	Low	1 Å²	1	58.5 Å²	58.5	1%	0.005	30%	0.296	C	S	.	.	I	π-helix	trans	-53.9	-48.4	178.6	-175.7	125.1	0	0	0	111.6	I440 Y443 F444 V460 F461 Y468 L469 I521	I440-L464 HydrophobicContact CG2-CD1 3.6Å; I440-L464 HydrophobicContact CG2-CD2 4.32Å; I440-L464 HydrophobicContact CG2-CG 4.05Å; Y443-L464 HydrophobicContact CD1-CD1 4.06Å; F444-L464 HydrophobicContact CB-CD1 3.77Å; F444-L464 HydrophobicContact CD2-CD1 3.99Å; F444-L464 HydrophobicContact CG-CD1 4.36Å; V460-L464 VanDerWaalsContact O-CB 3.28Å; V460-L464 WeakPolarHBondContact O-CB 3.45Å; V460-L464 PolarHBondContact O-N 3.29Å; F461-L464 PolarHBondContact O-N 2.88Å; L464-Y468 WeakPolarHBondContact O-CB 3.34Å; L464-Y468 PolarHBondContact O-N 3.07Å; L464-L469 HydrophobicContact CD2-CD1 3.48Å; L464-L469 VanDerWaalsContact CD2-CD1 3.48Å; L464-L469 HydrophobicContact CD2-CG 4.5Å; L464-L469 HydrophobicContact CG-CD1 4.32Å; L464-L469 PolarHBondContact O-N 3.48Å; L464-I521 HydrophobicContact CD2-CG2 3.91Å
465	F	63.3	Low	63.6	Low	64 Å²	64	52.3 Å²	52.3	28%	0.281	26%	0.263	S	S	.	.	I	π-helix	trans	-68.8	-55.2	-179.7	-175.4	-104.6	0	0	0	112.1	F461 E463 T470 L473 L527	F461-F465 VanDerWaalsContact O-CB 3.29Å; F461-F465 WeakPolarHBondContact O-CB 3.33Å; F461-F465 PolarHBondContact O-N 3.49Å; E463-F465 VanDerWaalsContact C-N 3.31Å; E463-F465 PolarHBondContact O-N 2.89Å; F465-T470 VanDerWaalsContact O-CB 3.28Å; F465-T470 WeakPolarHBondContact O-CB 3.38Å; F465-T470 PolarHBondContact O-N 3.31Å; F465-T470 PolarHBondContact O-OG1 3.49Å; F465-L473 HydrophobicContact CE2-CD1 4.36Å; F465-L527 HydrophobicContact CB-CD1 4.45Å; F465-L527 HydrophobicContact CD2-CD1 3.45Å; F465-L527 VanDerWaalsContact CD2-CD1 3.45Å; F465-L527 HydrophobicContact CD2-CG 3.78Å; F465-L527 HydrophobicContact CE2-CD1 4.12Å; F465-L527 HydrophobicContact CE2-CG 3.92Å; F465-L527 HydrophobicContact CG-CD1 4.36Å
466	N	66.2	Low	64.1	Low	97 Å²	97	44 Å²	44	52%	0.519	23%	0.227	S	C	.	.	I	π-helix	trans	-73.6	-39.9	-171.6	-67.4	-43.2	0	0	0	112.3	E462 E463	E462-N466 WeakPolarHBondContact O-CB 3.32Å; E462-N466 VanDerWaalsContact O-CG 3.26Å; E462-N466 PolarHBondContact O-N 3.38Å; E462-N466 PolarHBondContact O-ND2 3.38Å; E463-N466 PolarHBondContact O-N 2.93Å
467	K	69.6	Low	64.1	Low	82 Å²	82	42.1 Å²	42.1	36%	0.357	22%	0.22	S	C	.	.	I	π-helix	trans	-93.2	-32.2	-171.1	-166.9	-174.5	174	-156.8	0	113	E388 R391 E463	E388-K467 IonicContact OE1-NZ 2.9Å; R391-K467 WeakPolarHBondContact CD-O 3.19Å; E463-K467 HydrophobicContact CG-CB 4.08Å; E463-K467 HydrophobicContact CG-CD 3.81Å; E463-K467 WeakPolarHBondContact O-CA 3.46Å; E463-K467 WeakPolarHBondContact O-CB 3.23Å; E463-K467 PolarHBondContact O-N 2.88Å; E463-K467 WeakPolarHBondContact OE1-CD 3.41Å; E463-K467 IonicContact OE1-NZ 3.78Å; E463-K467 PolarHBondContact OE1-NZ 2.86Å
468	Y	72.5	Confident	64.2	Low	7 Å²	7	41.7 Å²	41.7	3%	0.027	22%	0.219	C	C	.	.	I	π-helix	trans	-111.2	-50.3	-173.6	-58.6	-82	0	0	0	113	E388 Y436 W439 Y443 E463 L464	E388-Y468 HydrophobicContact CG-CE1 4.36Å; Y436-Y468 PolarHBondContact OH-O 3.31Å; W439-Y468 AromaticContact CH2-CD1 3.59Å; W439-Y468 HydrophobicContact CH2-CD1 3.59Å; W439-Y468 AromaticContact CH2-CE1 3.53Å; W439-Y468 HydrophobicContact CH2-CE1 3.53Å; W439-Y468 HydrophobicContact CH2-CG 4.38Å; W439-Y468 AromaticContact CZ3-CD1 3.68Å; W439-Y468 HydrophobicContact CZ3-CD1 3.68Å; W439-Y468 HydrophobicContact CZ3-CE1 4.13Å; W439-Y468 HydrophobicContact CZ3-CG 4.26Å; Y443-Y468 HydrophobicContact CE1-CD2 4.49Å; Y443-Y468 AromaticContact CE1-CE2 3.98Å; Y443-Y468 HydrophobicContact CE1-CE2 3.98Å; Y443-Y468 AromaticContact CZ-CE2 3.93Å; E463-Y468 HydrophobicContact CG-CE2 3.96Å; E463-Y468 PolarHBondContact OE1-OH 3.43Å; L464-Y468 WeakPolarHBondContact O-CB 3.34Å; L464-Y468 PolarHBondContact O-N 3.07Å
469	L	67.6	Low	64.3	Low	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.202	C	C	.	.	I	π-helix	trans	-76.4	-50.1	-178.2	-81.1	161.7	0	0	0	113.5	F437 I440 L464 P471 V472 L473 L518 I521 L527	F437-L469 HydrophobicContact CE1-CD2 4.27Å; I440-L469 HydrophobicContact CD1-CD2 3.87Å; I440-L469 HydrophobicContact CD1-CG 4.15Å; L464-L469 HydrophobicContact CD2-CD1 3.48Å; L464-L469 VanDerWaalsContact CD2-CD1 3.48Å; L464-L469 HydrophobicContact CD2-CG 4.5Å; L464-L469 HydrophobicContact CG-CD1 4.32Å; L464-L469 PolarHBondContact O-N 3.48Å; L469-P471 VanDerWaalsContact C-CD 3.43Å; L469-P471 VanDerWaalsContact C-N 3.32Å; L469-V472 PolarHBondContact O-N 3.34Å; L469-L473 WeakPolarHBondContact O-CG 3.45Å; L469-L473 PolarHBondContact O-N 3.49Å; L469-L518 HydrophobicContact CD2-CD1 4Å; L469-I521 HydrophobicContact CD1-CD1 4.47Å; L469-I521 HydrophobicContact CD2-CD1 4.15Å; L469-L527 HydrophobicContact CD1-CD1 3.8Å; L469-L527 HydrophobicContact CD1-CD2 4.38Å
470	T	63.8	Low	64	Low	56 Å²	56	36.1 Å²	36.1	34%	0.344	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-41.4	-175	-63.9	0	0	0	0	113.9	F465 V472 P474	F465-T470 VanDerWaalsContact O-CB 3.28Å; F465-T470 WeakPolarHBondContact O-CB 3.38Å; F465-T470 PolarHBondContact O-N 3.31Å; F465-T470 PolarHBondContact O-OG1 3.49Å; T470-V472 VanDerWaalsContact C-N 3.26Å; T470-V472 PolarHBondContact O-N 3.01Å; T470-P474 VanDerWaalsContact O-CD 3.22Å; T470-P474 WeakPolarHBondContact O-CD 3.46Å
471	P	65.3	Low	63.7	Low	36 Å²	36	36.9 Å²	36.9	23%	0.234	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-25.1	176.7	-24	35.7	0	0	0	115	S395 L469	S395-P471 WeakPolarHBondContact OG-CB 3.31Å; L469-P471 VanDerWaalsContact C-CD 3.43Å; L469-P471 VanDerWaalsContact C-N 3.32Å
472	V	65.6	Low	63.3	Low	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-27.5	-174.4	-179.7	0	0	0	0	112.2	R391 L394 L433 Y436 F437 L469 T470 P474 I475 L476	R391-V472 HydrophobicContact CG-CG2 4.49Å; L394-V472 HydrophobicContact CB-CG1 4.31Å; L394-V472 HydrophobicContact CB-CG2 3.81Å; L394-V472 HydrophobicContact CD1-CG1 3.89Å; L394-V472 HydrophobicContact CD1-CG2 4.05Å; L433-V472 HydrophobicContact CD2-CG1 4.4Å; Y436-V472 HydrophobicContact CD1-CG1 4.2Å; Y436-V472 HydrophobicContact CD1-CG2 4.39Å; Y436-V472 HydrophobicContact CE1-CB 4Å; Y436-V472 HydrophobicContact CE1-CG1 3.97Å; Y436-V472 HydrophobicContact CE1-CG2 3.54Å; F437-V472 HydrophobicContact CZ-CG1 4.34Å; L469-V472 PolarHBondContact O-N 3.34Å; T470-V472 VanDerWaalsContact C-N 3.26Å; T470-V472 PolarHBondContact O-N 3.01Å; V472-P474 VanDerWaalsContact C-N 3.29Å; V472-P474 VanDerWaalsContact O-N 3.16Å; V472-I475 HydrophobicContact CG1-CD1 4.29Å; V472-I475 WeakPolarHBondContact O-CB 3.47Å; V472-I475 PolarHBondContact O-N 3.2Å; V472-L476 PolarHBondContact O-N 3.21Å
473	L	63.1	Low	62.9	Low	30 Å²	30	31.8 Å²	31.8	16%	0.157	17%	0.168	C	C	.	.	H	α-helix	trans	-48.8	-40.1	177.4	-73.6	177.5	0	0	0	114.3	F465 L469 I475 L476 D477 L531	F465-L473 HydrophobicContact CE2-CD1 4.36Å; L469-L473 WeakPolarHBondContact O-CG 3.45Å; L469-L473 PolarHBondContact O-N 3.49Å; L473-I475 VanDerWaalsContact C-N 3.28Å; L473-I475 PolarHBondContact O-N 3.35Å; L473-L476 HydrophobicContact CD2-CD1 4.26Å; L473-L476 WeakPolarHBondContact O-CB 3.32Å; L473-L476 PolarHBondContact O-N 3.25Å; L473-D477 VanDerWaalsContact O-CB 3.31Å; L473-D477 WeakPolarHBondContact O-CB 3.37Å; L473-D477 PolarHBondContact O-N 3.11Å; L473-L531 HydrophobicContact CD2-CD2 4.32Å
474	P	59.3	Low	62.2	Low	31 Å²	31	29.5 Å²	29.5	20%	0.201	16%	0.157	C	C	.	.	H	α-helix	trans	-66.8	-25	178.2	-25.5	36.7	0	0	0	115	H398 T470 V472 D477 T478	H398-P474 WeakPolarHBondContact CE1-CB 3.31Å; H398-P474 WeakPolarHBondContact ND1-CB 3.31Å; T470-P474 VanDerWaalsContact O-CD 3.22Å; T470-P474 WeakPolarHBondContact O-CD 3.46Å; V472-P474 VanDerWaalsContact C-N 3.29Å; V472-P474 VanDerWaalsContact O-N 3.16Å; P474-D477 WeakPolarHBondContact O-CB 3.26Å; P474-T478 WeakPolarHBondContact O-CB 3.25Å; P474-T478 PolarHBondContact O-N 2.73Å; P474-T478 PolarHBondContact O-OG1 2.81Å
475	I	62	Low	61.4	Low	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-75.1	-46.8	177.1	-55.9	159.1	0	0	0	108.9	L394 F397 H398 L417 V472 L473 D477 T478 L479	L394-I475 HydrophobicContact CB-CD1 3.64Å; L394-I475 HydrophobicContact CD2-CD1 4.23Å; L394-I475 WeakPolarHBondContact O-CD1 3.48Å; F397-I475 HydrophobicContact CB-CD1 4.41Å; H398-I475 HydrophobicContact CB-CD1 4.48Å; H398-I475 HydrophobicContact CB-CG1 3.94Å; L417-I475 HydrophobicContact CD1-CG2 3.37Å; V472-I475 HydrophobicContact CG1-CD1 4.29Å; V472-I475 WeakPolarHBondContact O-CB 3.47Å; V472-I475 PolarHBondContact O-N 3.2Å; L473-I475 VanDerWaalsContact C-N 3.28Å; L473-I475 PolarHBondContact O-N 3.35Å; I475-D477 PolarHBondContact O-N 2.79Å; I475-T478 PolarHBondContact O-N 3.24Å; I475-T478 VanDerWaalsContact O-N 3.16Å; I475-L479 HydrophobicContact CG2-CD1 4.2Å; I475-L479 WeakPolarHBondContact O-CB 3.43Å; I475-L479 WeakPolarHBondContact O-CG 3.33Å; I475-L479 PolarHBondContact O-N 3.5Å
476	L	61.6	Low	60.8	Low	14 Å²	14	35.6 Å²	35.6	7%	0.073	19%	0.189	C	C	.	.	H	α-helix	trans	-54.7	-44.6	170.7	-75.3	171.6	0	0	0	110.3	L433 F437 V472 L473 T478 L479 M480 I514 L518	L433-L476 HydrophobicContact CD1-CD2 4.29Å; L433-L476 HydrophobicContact CD2-CD2 4.43Å; F437-L476 HydrophobicContact CE1-CD1 4.18Å; F437-L476 HydrophobicContact CE2-CD1 4.3Å; F437-L476 HydrophobicContact CE2-CD2 3.99Å; F437-L476 HydrophobicContact CZ-CD1 3.51Å; F437-L476 HydrophobicContact CZ-CD2 3.95Å; F437-L476 HydrophobicContact CZ-CG 4Å; V472-L476 PolarHBondContact O-N 3.21Å; L473-L476 HydrophobicContact CD2-CD1 4.26Å; L473-L476 WeakPolarHBondContact O-CB 3.32Å; L473-L476 PolarHBondContact O-N 3.25Å; L476-T478 PolarHBondContact O-N 2.77Å; L476-L479 PolarHBondContact O-N 3.36Å; L476-M480 VanDerWaalsContact O-CB 3.31Å; L476-M480 WeakPolarHBondContact O-CB 3.43Å; L476-M480 VanDerWaalsContact O-CG 3.28Å; L476-M480 WeakPolarHBondContact O-CG 3.44Å; L476-M480 PolarHBondContact O-N 2.89Å; L476-I514 HydrophobicContact CD2-CG2 3.7Å; L476-L518 HydrophobicContact CD1-CD1 4.1Å
477	D	56.7	Low	60	Low	41 Å²	41	32.7 Å²	32.7	22%	0.219	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-45.2	176.6	-168.9	39.9	0	0	0	112.1	L473 P474 I475 L479 M480 T481 R542	L473-D477 VanDerWaalsContact O-CB 3.31Å; L473-D477 WeakPolarHBondContact O-CB 3.37Å; L473-D477 PolarHBondContact O-N 3.11Å; P474-D477 WeakPolarHBondContact O-CB 3.26Å; I475-D477 PolarHBondContact O-N 2.79Å; D477-L479 PolarHBondContact O-N 3.34Å; D477-M480 PolarHBondContact O-N 3.42Å; D477-T481 WeakPolarHBondContact O-CB 3.19Å; D477-T481 PolarHBondContact O-N 2.92Å; D477-T481 PolarHBondContact O-OG1 3.09Å; D477-R542 VanDerWaalsContact CG-NH1 3.26Å; D477-R542 IonicContact OD1-CZ 3.23Å; D477-R542 IonicContact OD1-NE 3.24Å; D477-R542 PolarHBondContact OD1-NE 3.24Å; D477-R542 IonicContact OD1-NH1 3.88Å; D477-R542 PolarHBondContact OD1-NH1 3.27Å; D477-R542 IonicContact OD1-NH2 2.95Å; D477-R542 PolarHBondContact OD1-NH2 3.38Å; D477-R542 VanDerWaalsContact OD1-NH2 3.16Å; D477-R542 IonicContact OD2-CZ 3.68Å; D477-R542 VanDerWaalsContact OD2-CZ 3.29Å; D477-R542 IonicContact OD2-NH1 3.19Å; D477-R542 IonicContact OD2-NH2 2.68Å; D477-R542 PolarHBondContact OD2-NH2 3.2Å
478	T	59	Low	58.8	Low	31 Å²	31	36.5 Å²	36.5	19%	0.19	19%	0.191	C	C	.	.	H	α-helix	trans	-64.9	-40.3	176.9	-54.7	0	0	0	0	111.4	I401 P474 I475 L476 T481 N482	I401-T478 HydrophobicContact CD1-CG2 4.11Å; I401-T478 HydrophobicContact CG2-CG2 3.89Å; P474-T478 WeakPolarHBondContact O-CB 3.25Å; P474-T478 PolarHBondContact O-N 2.73Å; P474-T478 PolarHBondContact O-OG1 2.81Å; I475-T478 PolarHBondContact O-N 3.24Å; I475-T478 VanDerWaalsContact O-N 3.16Å; L476-T478 PolarHBondContact O-N 2.77Å; T478-T481 PolarHBondContact O-N 2.96Å; T478-N482 VanDerWaalsContact O-CB 3.23Å; T478-N482 WeakPolarHBondContact O-CB 3.48Å; T478-N482 VanDerWaalsContact O-CG 3.23Å; T478-N482 PolarHBondContact O-N 3.12Å; T478-N482 PolarHBondContact O-ND2 2.77Å
479	L	61.6	Low	57.4	Low	10 Å²	10	38 Å²	38	5%	0.052	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-46.4	177.7	-76.3	169.2	0	0	0	111.6	L417 W418 L433 I475 L476 D477 N482 F483	L417-L479 HydrophobicContact CB-CD1 4.37Å; L417-L479 HydrophobicContact CB-CD2 3.65Å; L417-L479 HydrophobicContact CB-CG 4.44Å; L417-L479 HydrophobicContact CD1-CD1 4.14Å; L417-L479 HydrophobicContact CD1-CG 4.47Å; W418-L479 HydrophobicContact CB-CD2 4.4Å; W418-L479 HydrophobicContact CE3-CD2 4.05Å; L433-L479 HydrophobicContact CD1-CD1 3.56Å; I475-L479 HydrophobicContact CG2-CD1 4.2Å; I475-L479 WeakPolarHBondContact O-CB 3.43Å; I475-L479 WeakPolarHBondContact O-CG 3.33Å; I475-L479 PolarHBondContact O-N 3.5Å; L476-L479 PolarHBondContact O-N 3.36Å; D477-L479 PolarHBondContact O-N 3.34Å; L479-N482 PolarHBondContact O-N 2.92Å; L479-F483 WeakPolarHBondContact O-CB 3.23Å; L479-F483 PolarHBondContact O-N 3.32Å
480	M	59	Low	55.9	Low	21 Å²	21	41.3 Å²	41.3	10%	0.103	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-46.5	174.5	-75.2	-164.7	-59.4	0	0	110.6	L476 D477 F483 F484 L515 V546	L476-M480 VanDerWaalsContact O-CB 3.31Å; L476-M480 WeakPolarHBondContact O-CB 3.43Å; L476-M480 VanDerWaalsContact O-CG 3.28Å; L476-M480 WeakPolarHBondContact O-CG 3.44Å; L476-M480 PolarHBondContact O-N 2.89Å; D477-M480 PolarHBondContact O-N 3.42Å; M480-F483 PolarHBondContact O-N 3.18Å; M480-F484 VanDerWaalsContact C-CD2 3.5Å; M480-F484 HydrophobicContact CB-CD2 3.77Å; M480-F484 HydrophobicContact CB-CE2 3.57Å; M480-F484 HydrophobicContact CG-CD2 4.43Å; M480-F484 HydrophobicContact CG-CE2 3.72Å; M480-F484 VanDerWaalsContact O-CB 3.23Å; M480-F484 WeakPolarHBondContact O-CB 3.46Å; M480-F484 WeakPolarHBondContact O-CD2 3.47Å; M480-F484 WeakPolarHBondContact O-CG 3.47Å; M480-F484 PolarHBondContact O-N 2.85Å; M480-F484 HydrophobicContact SD-CE2 4.09Å; M480-L515 HydrophobicContact SD-CD2 4.18Å; M480-V546 HydrophobicContact SD-CG2 4.09Å
481	T	55.8	Low	54.7	Low	33 Å²	33	44.9 Å²	44.9	20%	0.202	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-49.4	178.6	-55.6	0	0	0	0	111	D477 T478 F483 F484 E485	D477-T481 WeakPolarHBondContact O-CB 3.19Å; D477-T481 PolarHBondContact O-N 2.92Å; D477-T481 PolarHBondContact O-OG1 3.09Å; T478-T481 PolarHBondContact O-N 2.96Å; T481-F483 VanDerWaalsContact C-N 3.29Å; T481-F483 PolarHBondContact O-N 3.43Å; T481-F484 PolarHBondContact O-N 2.75Å; T481-E485 HydrophobicContact CG2-CG 3.83Å; T481-E485 VanDerWaalsContact CG2-OE2 3.3Å; T481-E485 WeakPolarHBondContact CG2-OE2 3.23Å; T481-E485 WeakPolarHBondContact O-CA 3.37Å; T481-E485 WeakPolarHBondContact O-CB 2.88Å; T481-E485 WeakPolarHBondContact O-CG 3.17Å; T481-E485 PolarHBondContact O-N 2.85Å
482	N	55.6	Low	53.3	Low	40 Å²	40	49.3 Å²	49.3	21%	0.214	27%	0.266	C	S	.	.	H	α-helix	trans	-60.7	-39.5	177.1	-77.1	-19.9	0	0	0	111.9	W418 T478 L479 N486	W418-N482 HydrophobicContact CD2-CB 4.18Å; W418-N482 HydrophobicContact CE3-CB 4.5Å; W418-N482 HydrophobicContact CZ2-CB 4.38Å; T478-N482 VanDerWaalsContact O-CB 3.23Å; T478-N482 WeakPolarHBondContact O-CB 3.48Å; T478-N482 VanDerWaalsContact O-CG 3.23Å; T478-N482 PolarHBondContact O-N 3.12Å; T478-N482 PolarHBondContact O-ND2 2.77Å; L479-N482 PolarHBondContact O-N 2.92Å; N482-N486 WeakPolarHBondContact O-CB 3.43Å; N482-N486 PolarHBondContact O-N 3.3Å; N482-N486 PolarHBondContact O-ND2 3.42Å
483	F	55.3	Low	52	Low	1 Å²	1	52.5 Å²	52.5	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-70.5	-46.7	178.5	-173.5	-91.9	0	0	0	111.7	W418 L479 M480 T481 H487 S507 A508 I511 W549	W418-F483 HydrophobicContact CH2-CB 3.39Å; W418-F483 AromaticContact CH2-CD2 3.34Å; W418-F483 HydrophobicContact CH2-CD2 3.34Å; W418-F483 HydrophobicContact CH2-CE2 4.46Å; W418-F483 AromaticContact CH2-CG 3.77Å; W418-F483 HydrophobicContact CH2-CG 3.77Å; W418-F483 HydrophobicContact CZ2-CB 4.44Å; W418-F483 HydrophobicContact CZ3-CB 3.55Å; W418-F483 AromaticContact CZ3-CD2 3.65Å; W418-F483 HydrophobicContact CZ3-CD2 3.65Å; W418-F483 HydrophobicContact CZ3-CG 4.05Å; L479-F483 WeakPolarHBondContact O-CB 3.23Å; L479-F483 PolarHBondContact O-N 3.32Å; M480-F483 PolarHBondContact O-N 3.18Å; T481-F483 VanDerWaalsContact C-N 3.29Å; T481-F483 PolarHBondContact O-N 3.43Å; F483-H487 VanDerWaalsContact O-CB 3.3Å; F483-H487 WeakPolarHBondContact O-CB 3.5Å; F483-H487 PolarHBondContact O-CD2 3.29Å; F483-H487 PolarHBondContact O-N 3.27Å; F483-S507 VanDerWaalsContact CE2-CB 3.5Å; F483-A508 HydrophobicContact CZ-CB 4.42Å; F483-I511 HydrophobicContact CB-CD1 3.81Å; F483-I511 HydrophobicContact CD1-CD1 3.36Å; F483-I511 HydrophobicContact CD2-CD1 3.38Å; F483-I511 HydrophobicContact CE1-CD1 3.67Å; F483-I511 HydrophobicContact CE2-CD1 3.81Å; F483-I511 HydrophobicContact CG-CD1 3.22Å; F483-I511 HydrophobicContact CZ-CD1 3.94Å; F483-W549 AromaticContact CE1-CE2 3.55Å; F483-W549 AromaticContact CE1-CZ2 3.58Å; F483-W549 HydrophobicContact CE1-CZ2 3.58Å; F483-W549 AromaticContact CE1-NE1 3.35Å; F483-W549 HydrophobicContact CZ-CZ2 4.03Å
484	F	54.3	Low	50.9	Low	24 Å²	24	59.4 Å²	59.4	11%	0.105	32%	0.32	C	S	.	.	H	α-helix	trans	-82.4	-30.2	-174.1	-59.9	-47.4	0	0	0	114.1	M480 T481 I511 V546 W549	M480-F484 VanDerWaalsContact C-CD2 3.5Å; M480-F484 HydrophobicContact CB-CD2 3.77Å; M480-F484 HydrophobicContact CB-CE2 3.57Å; M480-F484 HydrophobicContact CG-CD2 4.43Å; M480-F484 HydrophobicContact CG-CE2 3.72Å; M480-F484 VanDerWaalsContact O-CB 3.23Å; M480-F484 WeakPolarHBondContact O-CB 3.46Å; M480-F484 WeakPolarHBondContact O-CD2 3.47Å; M480-F484 WeakPolarHBondContact O-CG 3.47Å; M480-F484 PolarHBondContact O-N 2.85Å; M480-F484 HydrophobicContact SD-CE2 4.09Å; T481-F484 PolarHBondContact O-N 2.75Å; F484-I511 HydrophobicContact CZ-CG2 4.44Å; F484-V546 HydrophobicContact CE2-CG2 4.07Å; F484-V546 HydrophobicContact CZ-CG2 4.4Å; F484-W549 HydrophobicContact CD1-CB 3.56Å; F484-W549 AromaticContact CD1-CD1 3.34Å; F484-W549 AromaticContact CD1-CD2 3.87Å; F484-W549 HydrophobicContact CD1-CD2 3.87Å; F484-W549 AromaticContact CD1-CG 3.28Å; F484-W549 HydrophobicContact CD1-CG 3.28Å; F484-W549 AromaticContact CD1-NE1 3.9Å; F484-W549 HydrophobicContact CE1-CB 3.69Å; F484-W549 AromaticContact CE1-CD1 3.6Å; F484-W549 AromaticContact CE1-CD2 3.28Å; F484-W549 HydrophobicContact CE1-CD2 3.28Å; F484-W549 AromaticContact CE1-CE2 3.72Å; F484-W549 AromaticContact CE1-CE3 3.7Å; F484-W549 HydrophobicContact CE1-CE3 3.7Å; F484-W549 AromaticContact CE1-CG 3.22Å; F484-W549 HydrophobicContact CE1-CG 3.22Å; F484-W549 HydrophobicContact CE1-CZ2 4.48Å; F484-W549 HydrophobicContact CE1-CZ3 4.44Å; F484-W549 AromaticContact CE1-NE1 3.85Å; F484-W549 HydrophobicContact CG-CB 4.41Å; F484-W549 HydrophobicContact CG-CG 4.48Å; F484-W549 HydrophobicContact CZ-CD2 4.26Å; F484-W549 HydrophobicContact CZ-CE3 4.27Å; F484-W549 HydrophobicContact CZ-CG 4.37Å
485	E	52.5	Low	49.8	Very low	102 Å²	102	67 Å²	67	48%	0.477	35%	0.352	S	S	.	.	H	α-helix	trans	-86.4	-39.6	177.8	-64.4	-170	161.8	0	0	112.5	T481 H488	T481-E485 HydrophobicContact CG2-CG 3.83Å; T481-E485 VanDerWaalsContact CG2-OE2 3.3Å; T481-E485 WeakPolarHBondContact CG2-OE2 3.23Å; T481-E485 WeakPolarHBondContact O-CA 3.37Å; T481-E485 WeakPolarHBondContact O-CB 2.88Å; T481-E485 WeakPolarHBondContact O-CG 3.17Å; T481-E485 PolarHBondContact O-N 2.85Å; E485-H488 PolarHBondContact O-CD2 2.75Å
486	N	50.2	Low	48.6	Very low	90 Å²	90	69.4 Å²	69.4	48%	0.481	36%	0.364	S	S	.	.	H	α-helix	trans	-78.3	-29.8	-179.2	-60.7	-44.8	0	0	0	112.4	N423 N482 H488	N423-N486 WeakPolarHBondContact ND2-CB 3.16Å; N482-N486 WeakPolarHBondContact O-CB 3.43Å; N482-N486 PolarHBondContact O-N 3.3Å; N482-N486 PolarHBondContact O-ND2 3.42Å; N486-H488 PolarHBondContact O-N 3.02Å
487	H	50.2	Low	47.6	Very low	36 Å²	36	71 Å²	71	17%	0.167	38%	0.377	C	S	.	.			trans	-82.9	63.9	168.1	-72.5	-66.4	0	0	0	110.4	N423 F483 L489	N423-H487 PolarHBondContact ND2-CD2 2.92Å; N423-H487 PolarHBondContact ND2-CE1 3.43Å; N423-H487 VanDerWaalsContact ND2-CE1 3.29Å; N423-H487 PolarHBondContact ND2-ND1 3.02Å; N423-H487 PolarHBondContact ND2-NE2 3.4Å; N423-H487 VanDerWaalsContact ND2-NE2 3.19Å; N423-H487 PolarHBondContact O-NE2 3.27Å; F483-H487 VanDerWaalsContact O-CB 3.3Å; F483-H487 WeakPolarHBondContact O-CB 3.5Å; F483-H487 PolarHBondContact O-CD2 3.29Å; F483-H487 PolarHBondContact O-N 3.27Å; H487-L489 HydrophobicContact CB-CG 4.5Å; H487-L489 PolarHBondContact O-N 3.02Å
488	H	43.3	Very low	47	Very low	163 Å²	163	73 Å²	73	76%	0.755	39%	0.394	S	S	*	.			trans	-66.1	80.2	149.5	-77.7	-48.3	0	0	0	107.3	E485 N486 S490	E485-H488 PolarHBondContact O-CD2 2.75Å; N486-H488 PolarHBondContact O-N 3.02Å; H488-S490 PolarHBondContact O-N 2.9Å
489	L	43.5	Very low	46.2	Very low	37 Å²	37	75.5 Å²	75.5	19%	0.194	41%	0.41	C	S	.	.			trans	-51.5	105.4	170.5	-74.8	154.8	0	0	0	106.4	H487 T491 I496 I504 S553 N557	H487-L489 HydrophobicContact CB-CG 4.5Å; H487-L489 PolarHBondContact O-N 3.02Å; L489-T491 PolarHBondContact O-N 3.41Å; L489-I496 HydrophobicContact CD2-CD1 4.45Å; L489-I504 HydrophobicContact CD2-CD1 4.19Å; L489-S553 WeakPolarHBondContact CD1-OG 3.3Å; L489-N557 WeakPolarHBondContact CD1-ND2 3.37Å
490	S	36.9	Very low	45.6	Very low	71 Å²	71	78.7 Å²	78.7	50%	0.497	43%	0.427	S	S	.	.			trans	-57.4	120.2	179.6	70	0	0	0	0	106.4	H488 N492	H488-S490 PolarHBondContact O-N 2.9Å; S490-N492 PolarHBondContact O-N 3.39Å
491	T	38.2	Very low	45.2	Very low	132 Å²	132	79 Å²	79	81%	0.81	43%	0.428	S	S	*	.	S	Bend	trans	-59.1	-4.7	179.4	43	0	0	0	0	113.4	L489 S493	L489-T491 PolarHBondContact O-N 3.41Å; T491-S493 VanDerWaalsContact C-N 3.25Å; T491-S493 PolarHBondContact O-N 2.93Å
492	N	36.2	Very low	45.1	Very low	129 Å²	129	79 Å²	79	69%	0.69	43%	0.43	S	S	*	.			trans	-77.3	76.3	169.8	-67.2	-12.8	0	0	0	110.3	S490 H494	S490-N492 PolarHBondContact O-N 3.39Å; N492-H494 PolarHBondContact O-N 2.77Å
493	S	38.7	Very low	45.1	Very low	66 Å²	66	81.3 Å²	81.3	46%	0.462	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	8.9	-177.3	53.6	0	0	0	0	117.3	T491	T491-S493 VanDerWaalsContact C-N 3.25Å; T491-S493 PolarHBondContact O-N 2.93Å
494	H	38.2	Very low	45.1	Very low	176 Å²	176	83 Å²	83	82%	0.815	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-0.9	-169.3	-72.5	-43.9	0	0	0	116.5	N492	N492-H494 PolarHBondContact O-N 2.77Å
495	Q	36.2	Very low	45.3	Very low	190 Å²	190	82.1 Å²	82.1	89%	0.888	44%	0.443	S	S	*	.			trans	-141.3	19.7	-177.7	-72.7	-171.6	-20.5	0	0	116.2	S497	Q495-S497 PolarHBondContact O-N 3.35Å
496	I	38	Very low	45.6	Very low	50 Å²	50	80.6 Å²	80.6	26%	0.256	44%	0.436	S	S	.	.			trans	-81.5	120	170.8	-55.3	176.1	0	0	0	108.1	L489 D500 N501	L489-I496 HydrophobicContact CD2-CD1 4.45Å; I496-D500 HydrophobicContact CG2-CB 3.64Å; I496-N501 VanDerWaalsContact CG2-OD1 3.27Å; I496-N501 WeakPolarHBondContact CG2-OD1 2.95Å
497	S	41	Very low	45.9	Very low	48 Å²	48	76.4 Å²	76.4	34%	0.336	41%	0.414	S	S	.	.			trans	-62.9	153	-178.3	76	0	0	0	0	111.2	Q495 T499 D500 N501	Q495-S497 PolarHBondContact O-N 3.35Å; S497-T499 PolarHBondContact O-N 3.11Å; S497-T499 VanDerWaalsContact O-N 3.16Å; S497-T499 PolarHBondContact OG-OG1 2.96Å; S497-D500 PolarHBondContact O-N 3.21Å; S497-D500 VanDerWaalsContact O-N 3.13Å; S497-D500 PolarHBondContact OG-N 3.13Å; S497-D500 PolarHBondContact OG-OD2 2.87Å; S497-N501 PolarHBondContact O-N 3.48Å; S497-N501 PolarHBondContact O-ND2 2.96Å
498	S	43.5	Very low	46.4	Very low	83 Å²	83	74.8 Å²	74.8	58%	0.58	41%	0.407	S	S	*	.	H	α-helix	trans	-58.6	-28.6	179.5	54.7	0	0	0	0	113.4	S502	S498-S502 PolarHBondContact O-N 3.3Å
499	T	41.5	Very low	47.2	Very low	84 Å²	84	67.2 Å²	67.2	52%	0.515	37%	0.372	S	S	.	.	H	α-helix	trans	-73.7	-34.1	177.4	36	0	0	0	0	113.5	S497 N501 S502 K503	S497-T499 PolarHBondContact O-N 3.11Å; S497-T499 VanDerWaalsContact O-N 3.16Å; S497-T499 PolarHBondContact OG-OG1 2.96Å; T499-N501 VanDerWaalsContact C-N 3.34Å; T499-S502 PolarHBondContact O-OG 3.38Å; T499-K503 WeakPolarHBondContact O-CG 2.79Å; T499-K503 PolarHBondContact O-N 2.97Å
500	D	50.3	Low	48	Very low	76 Å²	76	66.3 Å²	66.3	41%	0.406	37%	0.368	S	S	.	.	H	α-helix	trans	-70.4	-38.8	176.2	-62.1	-37.9	0	0	0	110.2	I496 S497 S502 K503 I504	I496-D500 HydrophobicContact CG2-CB 3.64Å; S497-D500 PolarHBondContact O-N 3.21Å; S497-D500 VanDerWaalsContact O-N 3.13Å; S497-D500 PolarHBondContact OG-N 3.13Å; S497-D500 PolarHBondContact OG-OD2 2.87Å; D500-S502 PolarHBondContact O-N 3.38Å; D500-K503 PolarHBondContact O-N 3.15Å; D500-I504 WeakPolarHBondContact O-CD1 3.32Å; D500-I504 VanDerWaalsContact O-CG1 3.24Å; D500-I504 WeakPolarHBondContact O-CG1 3.43Å; D500-I504 PolarHBondContact O-N 2.95Å
501	N	50.3	Low	49.1	Very low	27 Å²	27	63.3 Å²	63.3	14%	0.144	35%	0.346	C	S	.	.	H	α-helix	trans	-62	-42.7	178.3	-75.2	-29.1	0	0	0	113.2	I496 S497 T499 L505 T561	I496-N501 VanDerWaalsContact CG2-OD1 3.27Å; I496-N501 WeakPolarHBondContact CG2-OD1 2.95Å; S497-N501 PolarHBondContact O-N 3.48Å; S497-N501 PolarHBondContact O-ND2 2.96Å; T499-N501 VanDerWaalsContact C-N 3.34Å; N501-L505 VanDerWaalsContact O-CB 3.29Å; N501-L505 WeakPolarHBondContact O-CB 3.37Å; N501-L505 PolarHBondContact O-N 3.2Å; N501-T561 HydrophobicContact CB-CG2 3.41Å; N501-T561 VanDerWaalsContact CB-CG2 3.41Å; N501-T561 WeakPolarHBondContact ND2-CG2 2.83Å
502	S	53.8	Low	50.2	Low	34 Å²	34	57.3 Å²	57.3	24%	0.238	31%	0.31	C	S	.	.	H	α-helix	trans	-66.3	-37.4	177.7	59.4	0	0	0	0	112.4	S498 T499 D500 L505 Q506	S498-S502 PolarHBondContact O-N 3.3Å; T499-S502 PolarHBondContact O-OG 3.38Å; D500-S502 PolarHBondContact O-N 3.38Å; S502-L505 PolarHBondContact O-N 3.34Å; S502-Q506 PolarHBondContact O-N 2.84Å
503	K	55.1	Low	51.5	Low	88 Å²	88	52.7 Å²	52.7	38%	0.383	29%	0.286	S	S	.	.	H	α-helix	trans	-69.6	-43.5	178.1	-70.1	-179.8	-179.7	-176.1	0	112.4	V422 T499 D500 L505 Q506 S507	V422-K503 HydrophobicContact CG1-CD 4.05Å; T499-K503 WeakPolarHBondContact O-CG 2.79Å; T499-K503 PolarHBondContact O-N 2.97Å; D500-K503 PolarHBondContact O-N 3.15Å; K503-L505 VanDerWaalsContact C-N 3.3Å; K503-L505 PolarHBondContact O-N 3.46Å; K503-Q506 PolarHBondContact O-N 3.22Å; K503-S507 PolarHBondContact O-N 3.44Å; K503-S507 PolarHBondContact O-OG 3.24Å
504	I	56.4	Low	52.5	Low	36 Å²	36	49.9 Å²	49.9	19%	0.185	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-44.8	174.4	-67.7	163.6	0	0	0	109.8	L489 D500 Q506 S507 A508	L489-I504 HydrophobicContact CD2-CD1 4.19Å; D500-I504 WeakPolarHBondContact O-CD1 3.32Å; D500-I504 VanDerWaalsContact O-CG1 3.24Å; D500-I504 WeakPolarHBondContact O-CG1 3.43Å; D500-I504 PolarHBondContact O-N 2.95Å; I504-Q506 VanDerWaalsContact C-N 3.34Å; I504-Q506 PolarHBondContact O-N 2.93Å; I504-S507 PolarHBondContact O-N 3.42Å; I504-A508 VanDerWaalsContact O-CB 3.27Å; I504-A508 WeakPolarHBondContact O-CB 3.28Å; I504-A508 PolarHBondContact O-N 3.43Å
505	L	56.8	Low	53.7	Low	6 Å²	6	42.5 Å²	42.5	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-40.6	178	-170.2	72.6	0	0	0	112	N501 S502 K503 A508 A509 I558 N565 F569 L572	N501-L505 VanDerWaalsContact O-CB 3.29Å; N501-L505 WeakPolarHBondContact O-CB 3.37Å; N501-L505 PolarHBondContact O-N 3.2Å; S502-L505 PolarHBondContact O-N 3.34Å; K503-L505 VanDerWaalsContact C-N 3.3Å; K503-L505 PolarHBondContact O-N 3.46Å; L505-A508 WeakPolarHBondContact O-CB 3.49Å; L505-A508 PolarHBondContact O-N 3.34Å; L505-A509 WeakPolarHBondContact O-CB 3.46Å; L505-A509 PolarHBondContact O-N 2.96Å; L505-I558 HydrophobicContact CD1-CD1 3.96Å; L505-I558 HydrophobicContact CD1-CG1 4.28Å; L505-I558 HydrophobicContact CD1-CG2 4.46Å; L505-N565 HydrophobicContact CD2-CB 4.15Å; L505-N565 WeakPolarHBondContact CD2-O 3.3Å; L505-F569 HydrophobicContact CD2-CB 4.1Å; L505-L572 HydrophobicContact CD1-CD2 3.58Å
506	Q	58.6	Low	54.9	Low	70 Å²	70	33.7 Å²	33.7	33%	0.327	19%	0.191	S	C	.	.	H	α-helix	trans	-68	-43.5	176.9	-170.4	59.3	41.6	0	0	112.2	S502 K503 I504 A508 A509 N510 S568	S502-Q506 PolarHBondContact O-N 2.84Å; K503-Q506 PolarHBondContact O-N 3.22Å; I504-Q506 VanDerWaalsContact C-N 3.34Å; I504-Q506 PolarHBondContact O-N 2.93Å; Q506-A508 VanDerWaalsContact C-N 3.3Å; Q506-A508 PolarHBondContact O-N 3.22Å; Q506-A509 PolarHBondContact O-N 2.98Å; Q506-N510 PolarHBondContact NE2-OD1 3.49Å; Q506-N510 PolarHBondContact O-N 3.49Å; Q506-N510 PolarHBondContact O-OD1 3.04Å; Q506-S568 PolarHBondContact OE1-OG 3.41Å
507	S	57.7	Low	56.1	Low	2 Å²	2	32.4 Å²	32.4	1%	0.014	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-39.8	174.8	-72.7	0	0	0	0	112	E424 I425 F483 K503 I504 N510 I511	E424-S507 WeakPolarHBondContact CG-OG 3.48Å; I425-S507 PolarHBondContact N-OG 2.98Å; F483-S507 VanDerWaalsContact CE2-CB 3.5Å; K503-S507 PolarHBondContact O-N 3.44Å; K503-S507 PolarHBondContact O-OG 3.24Å; I504-S507 PolarHBondContact O-N 3.42Å; S507-N510 PolarHBondContact O-N 3.29Å; S507-I511 WeakPolarHBondContact O-CG1 3.35Å; S507-I511 PolarHBondContact O-N 3Å
508	A	59.4	Low	57.2	Low	3 Å²	3	30.5 Å²	30.5	3%	0.025	17%	0.17	C	C	.	.	H	α-helix	trans	-61.3	-44.3	174.2	0	0	0	0	0	111.9	F483 I504 L505 Q506 S512 W549 L572	F483-A508 HydrophobicContact CZ-CB 4.42Å; I504-A508 VanDerWaalsContact O-CB 3.27Å; I504-A508 WeakPolarHBondContact O-CB 3.28Å; I504-A508 PolarHBondContact O-N 3.43Å; L505-A508 WeakPolarHBondContact O-CB 3.49Å; L505-A508 PolarHBondContact O-N 3.34Å; Q506-A508 VanDerWaalsContact C-N 3.3Å; Q506-A508 PolarHBondContact O-N 3.22Å; A508-S512 WeakPolarHBondContact O-CB 3.44Å; A508-S512 PolarHBondContact O-N 2.67Å; A508-S512 PolarHBondContact O-OG 2.92Å; A508-W549 HydrophobicContact CB-CH2 3.68Å; A508-W549 HydrophobicContact CB-CZ2 3.57Å; A508-L572 HydrophobicContact CB-CD1 4.11Å; A508-L572 HydrophobicContact CB-CD2 4.12Å
509	A	60.3	Low	57.9	Low	3 Å²	3	27.6 Å²	27.6	3%	0.025	15%	0.149	C	C	.	.	H	α-helix	trans	-61	-47.2	175.7	0	0	0	0	0	110.6	L505 Q506 I511 S512 T513 L572	L505-A509 WeakPolarHBondContact O-CB 3.46Å; L505-A509 PolarHBondContact O-N 2.96Å; Q506-A509 PolarHBondContact O-N 2.98Å; A509-I511 PolarHBondContact O-N 3.12Å; A509-S512 PolarHBondContact O-N 3.23Å; A509-T513 PolarHBondContact O-N 2.82Å; A509-T513 PolarHBondContact O-OG1 2.96Å; A509-L572 HydrophobicContact CB-CB 4.47Å
510	N	60.5	Low	58.8	Low	19 Å²	19	27.5 Å²	27.5	10%	0.102	14%	0.142	C	C	.	.	H	α-helix	trans	-59.3	-48.2	178.8	-65	-7.2	0	0	0	112	A430 Q506 S507 S512 T513 I514	A430-N510 HydrophobicContact CB-CB 4.03Å; Q506-N510 PolarHBondContact NE2-OD1 3.49Å; Q506-N510 PolarHBondContact O-N 3.49Å; Q506-N510 PolarHBondContact O-OD1 3.04Å; S507-N510 PolarHBondContact O-N 3.29Å; N510-S512 VanDerWaalsContact C-N 3.3Å; N510-S512 PolarHBondContact O-N 3.42Å; N510-T513 PolarHBondContact O-N 2.92Å; N510-I514 WeakPolarHBondContact O-CD1 3.41Å; N510-I514 VanDerWaalsContact O-CG1 3.27Å; N510-I514 WeakPolarHBondContact O-CG1 3.32Å; N510-I514 PolarHBondContact O-N 3.44Å
511	I	60.8	Low	59.2	Low	8 Å²	8	24.1 Å²	24.1	4%	0.041	12%	0.124	C	C	.	.	H	α-helix	trans	-60.6	-42.8	176.6	-67.8	170.4	0	0	0	110.7	I425 F483 F484 S507 A509 I514 L515	I425-I511 HydrophobicContact CD1-CD1 3.68Å; I425-I511 HydrophobicContact CD1-CG1 3.32Å; F483-I511 HydrophobicContact CB-CD1 3.81Å; F483-I511 HydrophobicContact CD1-CD1 3.36Å; F483-I511 HydrophobicContact CD2-CD1 3.38Å; F483-I511 HydrophobicContact CE1-CD1 3.67Å; F483-I511 HydrophobicContact CE2-CD1 3.81Å; F483-I511 HydrophobicContact CG-CD1 3.22Å; F483-I511 HydrophobicContact CZ-CD1 3.94Å; F484-I511 HydrophobicContact CZ-CG2 4.44Å; S507-I511 WeakPolarHBondContact O-CG1 3.35Å; S507-I511 PolarHBondContact O-N 3Å; A509-I511 PolarHBondContact O-N 3.12Å; I511-I514 WeakPolarHBondContact O-CB 3.46Å; I511-I514 PolarHBondContact O-N 3.14Å; I511-L515 HydrophobicContact CG2-CD1 4.02Å; I511-L515 HydrophobicContact CG2-CG 4.36Å; I511-L515 WeakPolarHBondContact O-CG 3.42Å; I511-L515 PolarHBondContact O-N 2.92Å
512	S	61.6	Low	59.4	Low	6 Å²	6	25.1 Å²	25.1	4%	0.042	13%	0.132	C	C	.	.	H	α-helix	trans	-66.5	-40.1	-179	-54.2	0	0	0	0	111.6	A508 A509 N510 I514 L515 I516 L572	A508-S512 WeakPolarHBondContact O-CB 3.44Å; A508-S512 PolarHBondContact O-N 2.67Å; A508-S512 PolarHBondContact O-OG 2.92Å; A509-S512 PolarHBondContact O-N 3.23Å; N510-S512 VanDerWaalsContact C-N 3.3Å; N510-S512 PolarHBondContact O-N 3.42Å; S512-I514 VanDerWaalsContact C-N 3.35Å; S512-I514 PolarHBondContact O-N 2.88Å; S512-L515 PolarHBondContact O-N 2.81Å; S512-I516 WeakPolarHBondContact O-CD1 3.45Å; S512-I516 WeakPolarHBondContact O-CG1 3.31Å; S512-I516 PolarHBondContact O-N 3.45Å; S512-L572 VanDerWaalsContact OG-CD1 3.3Å; S512-L572 WeakPolarHBondContact OG-CD1 3.48Å
513	T	61.9	Low	59.2	Low	32 Å²	32	25.1 Å²	25.1	20%	0.196	13%	0.132	C	C	.	.	H	α-helix	trans	-59.5	-46	173.1	-56.8	0	0	0	0	111	E434 A509 N510 L515 I516 Q517 N575	E434-T513 HydrophobicContact CG-CG2 4.29Å; A509-T513 PolarHBondContact O-N 2.82Å; A509-T513 PolarHBondContact O-OG1 2.96Å; N510-T513 PolarHBondContact O-N 2.92Å; T513-L515 VanDerWaalsContact C-N 3.33Å; T513-L515 PolarHBondContact O-N 3.47Å; T513-I516 PolarHBondContact O-N 3.28Å; T513-Q517 WeakPolarHBondContact O-CG 3.35Å; T513-Q517 PolarHBondContact O-N 3.19Å; T513-N575 PolarHBondContact N-ND2 2.95Å; T513-N575 PolarHBondContact OG1-ND2 2.94Å
514	I	61.2	Low	58.6	Low	7 Å²	7	22.2 Å²	22.2	4%	0.036	12%	0.121	C	C	.	.	H	α-helix	trans	-58.6	-45.1	176.1	-69.3	162.6	0	0	0	111	A430 L433 E434 F437 L476 N510 I511 S512 I516 Q517 L518	A430-I514 HydrophobicContact CB-CD1 4.41Å; L433-I514 HydrophobicContact CB-CD1 4.11Å; L433-I514 HydrophobicContact CB-CG1 4.22Å; L433-I514 HydrophobicContact CD1-CD1 3.95Å; E434-I514 HydrophobicContact CG-CG1 3.96Å; F437-I514 HydrophobicContact CD2-CG2 3.94Å; F437-I514 HydrophobicContact CE2-CG2 3.56Å; L476-I514 HydrophobicContact CD2-CG2 3.7Å; N510-I514 WeakPolarHBondContact O-CD1 3.41Å; N510-I514 VanDerWaalsContact O-CG1 3.27Å; N510-I514 WeakPolarHBondContact O-CG1 3.32Å; N510-I514 PolarHBondContact O-N 3.44Å; I511-I514 WeakPolarHBondContact O-CB 3.46Å; I511-I514 PolarHBondContact O-N 3.14Å; S512-I514 VanDerWaalsContact C-N 3.35Å; S512-I514 PolarHBondContact O-N 2.88Å; I514-I516 VanDerWaalsContact C-N 3.33Å; I514-I516 PolarHBondContact O-N 2.64Å; I514-Q517 PolarHBondContact O-N 3.31Å; I514-L518 PolarHBondContact O-N 2.72Å
515	L	62.9	Low	58.1	Low	20 Å²	20	22.8 Å²	22.8	11%	0.105	13%	0.126	C	C	.	.	H	α-helix	trans	-64.8	-35.6	178.7	-70.9	173	0	0	0	112.6	M480 I511 S512 T513 L518 C519 V546 L579	M480-L515 HydrophobicContact SD-CD2 4.18Å; I511-L515 HydrophobicContact CG2-CD1 4.02Å; I511-L515 HydrophobicContact CG2-CG 4.36Å; I511-L515 WeakPolarHBondContact O-CG 3.42Å; I511-L515 PolarHBondContact O-N 2.92Å; S512-L515 PolarHBondContact O-N 2.81Å; T513-L515 VanDerWaalsContact C-N 3.33Å; T513-L515 PolarHBondContact O-N 3.47Å; L515-L518 WeakPolarHBondContact O-CB 3.42Å; L515-L518 PolarHBondContact O-N 3.38Å; L515-C519 PolarHBondContact O-N 2.91Å; L515-C519 PolarHBondContact O-SG 3.3Å; L515-V546 HydrophobicContact CD1-CG1 4.12Å; L515-L579 HydrophobicContact CB-CD1 3.79Å
516	I	62.3	Low	57.5	Low	5 Å²	5	28.8 Å²	28.8	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-68.4	-44.6	175.6	-71	158.9	0	0	0	111.3	S512 T513 I514 L518 C519 K520 N575 E578	S512-I516 WeakPolarHBondContact O-CD1 3.45Å; S512-I516 WeakPolarHBondContact O-CG1 3.31Å; S512-I516 PolarHBondContact O-N 3.45Å; T513-I516 PolarHBondContact O-N 3.28Å; I514-I516 VanDerWaalsContact C-N 3.33Å; I514-I516 PolarHBondContact O-N 2.64Å; I516-L518 PolarHBondContact O-N 2.86Å; I516-C519 CarbonylContact O-C 3.6Å; I516-C519 WeakPolarHBondContact O-CA 3.33Å; I516-C519 WeakPolarHBondContact O-CB 3.47Å; I516-C519 PolarHBondContact O-N 3.38Å; I516-K520 HydrophobicContact CG2-CD 4.36Å; I516-K520 WeakPolarHBondContact O-CG 3.28Å; I516-K520 PolarHBondContact O-N 3.03Å; I516-N575 HydrophobicContact CD1-CB 3.28Å; I516-N575 WeakPolarHBondContact CD1-O 3.49Å; I516-N575 VanDerWaalsContact CD1-OD1 3.23Å; I516-N575 WeakPolarHBondContact CD1-OD1 3.07Å; I516-E578 HydrophobicContact CD1-CB 4.23Å; I516-E578 HydrophobicContact CG1-CB 4.36Å; I516-E578 HydrophobicContact CG1-CG 4.48Å; I516-E578 VanDerWaalsContact CG2-CD 3.49Å; I516-E578 HydrophobicContact CG2-CG 4.09Å; I516-E578 WeakPolarHBondContact CG2-OE1 2.97Å
517	Q	63	Low	56.8	Low	23 Å²	23	26.1 Å²	26.1	11%	0.107	14%	0.142	C	C	.	.	H	α-helix	trans	-57.9	-38.7	175.2	-68.4	-65.4	-24.2	0	0	110.8	F437 S438 T513 I514 K520	F437-Q517 HydrophobicContact CB-CB 3.8Å; S438-Q517 PolarHBondContact OG-OE1 3.42Å; T513-Q517 WeakPolarHBondContact O-CG 3.35Å; T513-Q517 PolarHBondContact O-N 3.19Å; I514-Q517 PolarHBondContact O-N 3.31Å; Q517-K520 PolarHBondContact O-N 3.22Å
518	L	63.1	Low	56.3	Low	8 Å²	8	26.4 Å²	26.4	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-64.2	-39.1	172.5	-165.7	93.4	0	0	0	112.5	F437 L469 L476 I514 L515 I516 K520 I521 L531	F437-L518 HydrophobicContact CD1-CD1 3.94Å; F437-L518 HydrophobicContact CE1-CD1 3.63Å; F437-L518 HydrophobicContact CZ-CD1 4.14Å; L469-L518 HydrophobicContact CD2-CD1 4Å; L476-L518 HydrophobicContact CD1-CD1 4.1Å; I514-L518 PolarHBondContact O-N 2.72Å; L515-L518 WeakPolarHBondContact O-CB 3.42Å; L515-L518 PolarHBondContact O-N 3.38Å; I516-L518 PolarHBondContact O-N 2.86Å; L518-K520 VanDerWaalsContact C-N 3.31Å; L518-K520 PolarHBondContact O-N 2.89Å; L518-I521 WeakPolarHBondContact O-CB 3.33Å; L518-I521 PolarHBondContact O-N 3.1Å; L518-L531 HydrophobicContact CD2-CD1 3.38Å; L518-L531 HydrophobicContact CD2-CD2 3.74Å; L518-L531 HydrophobicContact CD2-CG 4.2Å; L518-L531 HydrophobicContact CG-CD1 4.34Å
519	C	59.3	Low	55.6	Low	22 Å²	22	28 Å²	28	15%	0.149	16%	0.157	C	C	.	.	H	α-helix	trans	-71.5	-22.4	177.7	-68.2	0	0	0	0	113.7	L515 I516 I521	L515-C519 PolarHBondContact O-N 2.91Å; L515-C519 PolarHBondContact O-SG 3.3Å; I516-C519 CarbonylContact O-C 3.6Å; I516-C519 WeakPolarHBondContact O-CA 3.33Å; I516-C519 WeakPolarHBondContact O-CB 3.47Å; I516-C519 PolarHBondContact O-N 3.38Å; C519-I521 VanDerWaalsContact C-N 3.31Å
520	K	60	Low	54.8	Low	83 Å²	83	30.1 Å²	30.1	36%	0.361	17%	0.172	S	C	.	.	H	α-helix	trans	-74.5	-20.9	175.7	-74.9	176.8	179.2	175.5	0	113.3	I516 Q517 L518 P522 E578	I516-K520 HydrophobicContact CG2-CD 4.36Å; I516-K520 WeakPolarHBondContact O-CG 3.28Å; I516-K520 PolarHBondContact O-N 3.03Å; Q517-K520 PolarHBondContact O-N 3.22Å; L518-K520 VanDerWaalsContact C-N 3.31Å; L518-K520 PolarHBondContact O-N 2.89Å; K520-P522 VanDerWaalsContact O-CD 3.23Å; K520-P522 WeakPolarHBondContact O-CD 3.37Å; K520-E578 WeakPolarHBondContact CE-OE1 3.47Å; K520-E578 IonicContact NZ-OE1 3.29Å
521	I	59	Low	54.2	Low	4 Å²	4	30.5 Å²	30.5	2%	0.021	17%	0.174	C	C	.	.	S	Bend	trans	-64.1	117.3	171.5	-57.4	167.9	0	0	0	106.4	F437 I440 E441 L464 L469 L518 C519 S523	F437-I521 HydrophobicContact CD1-CD1 4.34Å; I440-I521 HydrophobicContact CB-CD1 4.07Å; I440-I521 HydrophobicContact CG2-CD1 3.63Å; I440-I521 HydrophobicContact CG2-CG1 4.09Å; I440-I521 HydrophobicContact CG2-CG2 4.21Å; E441-I521 HydrophobicContact CB-CG1 4.49Å; L464-I521 HydrophobicContact CD2-CG2 3.91Å; L469-I521 HydrophobicContact CD1-CD1 4.47Å; L469-I521 HydrophobicContact CD2-CD1 4.15Å; L518-I521 WeakPolarHBondContact O-CB 3.33Å; L518-I521 PolarHBondContact O-N 3.1Å; C519-I521 VanDerWaalsContact C-N 3.31Å; I521-S523 PolarHBondContact O-N 3.24Å; I521-S523 VanDerWaalsContact O-N 3.08Å
522	P	53.9	Low	53.5	Low	49 Å²	49	31.7 Å²	31.7	32%	0.318	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-52	124.5	-179.5	-30.3	40.9	0	0	0	108.7	F444 F461 K520	F444-P522 HydrophobicContact CD1-CB 3.76Å; F444-P522 VanDerWaalsContact CD1-CD 3.4Å; F444-P522 HydrophobicContact CD1-CG 3.3Å; F444-P522 HydrophobicContact CE1-CB 3.29Å; F444-P522 HydrophobicContact CE1-CG 3.28Å; F444-P522 HydrophobicContact CG-CG 4.27Å; F444-P522 HydrophobicContact CZ-CB 3.76Å; F444-P522 HydrophobicContact CZ-CG 4.23Å; F461-P522 WeakPolarHBondContact CE1-O 3.27Å; K520-P522 VanDerWaalsContact O-CD 3.23Å; K520-P522 WeakPolarHBondContact O-CD 3.37Å
523	S	49.2	Very low	52.5	Low	34 Å²	34	32 Å²	32	24%	0.238	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-93.2	127.5	-168.2	50.9	0	0	0	0	110.1	I521 N586	I521-S523 PolarHBondContact O-N 3.24Å; I521-S523 VanDerWaalsContact O-N 3.08Å; S523-N586 PolarHBondContact OG-OD1 2.7Å
524	N	43.3	Very low	51.3	Low	27 Å²	27	33.8 Å²	33.8	14%	0.144	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-60.8	129.3	144.6	-175.1	-40.1	0	0	0	106.5	M458 F461 H526 L527	M458-N524 WeakPolarHBondContact CE-ND2 3.23Å; F461-N524 HydrophobicContact CD1-CB 4.38Å; N524-H526 PolarHBondContact O-N 3.2Å; N524-H526 WeakPolarHBondContact OD1-CB 3.48Å; N524-H526 PolarHBondContact OD1-CD2 3.27Å; N524-H526 PolarHBondContact OD1-N 3.46Å; N524-L527 VanDerWaalsContact O-CB 3.31Å; N524-L527 WeakPolarHBondContact O-CB 3.29Å; N524-L527 PolarHBondContact O-N 2.9Å
525	P	45.9	Very low	50.4	Low	47 Å²	47	35.8 Å²	35.8	31%	0.305	20%	0.197	S	C	.	.	H	α-helix	trans	-50.2	-24	178.5	14.6	-28.4	0	0	0	113.7	L527 S528 A529 L590	P525-L527 VanDerWaalsContact C-N 3.34Å; P525-L527 PolarHBondContact O-N 2.89Å; P525-S528 PolarHBondContact O-OG 2.9Å; P525-A529 WeakPolarHBondContact O-CB 3.47Å; P525-A529 PolarHBondContact O-N 3.13Å; P525-L590 HydrophobicContact CB-CD2 3.74Å; P525-L590 HydrophobicContact CB-CG 4.23Å
526	H	43.6	Very low	49.3	Very low	133 Å²	133	41.1 Å²	41.1	62%	0.616	24%	0.237	S	C	*	.	H	α-helix	trans	-66.2	-28.5	172.6	-63.6	-50.7	0	0	0	114.8	N524 A529 S530	N524-H526 PolarHBondContact O-N 3.2Å; N524-H526 WeakPolarHBondContact OD1-CB 3.48Å; N524-H526 PolarHBondContact OD1-CD2 3.27Å; N524-H526 PolarHBondContact OD1-N 3.46Å; H526-A529 CarbonylContact O-C 3.51Å; H526-S530 WeakPolarHBondContact O-CB 3.44Å; H526-S530 PolarHBondContact O-N 3.08Å
527	L	44.5	Very low	48.1	Very low	14 Å²	14	45.6 Å²	45.6	7%	0.073	26%	0.264	C	S	.	.	H	α-helix	trans	-76.2	-46.8	-177.6	-150.4	147.2	0	0	0	110.3	F465 L469 N524 P525 A529 S530 L531	F465-L527 HydrophobicContact CB-CD1 4.45Å; F465-L527 HydrophobicContact CD2-CD1 3.45Å; F465-L527 VanDerWaalsContact CD2-CD1 3.45Å; F465-L527 HydrophobicContact CD2-CG 3.78Å; F465-L527 HydrophobicContact CE2-CD1 4.12Å; F465-L527 HydrophobicContact CE2-CG 3.92Å; F465-L527 HydrophobicContact CG-CD1 4.36Å; L469-L527 HydrophobicContact CD1-CD1 3.8Å; L469-L527 HydrophobicContact CD1-CD2 4.38Å; N524-L527 VanDerWaalsContact O-CB 3.31Å; N524-L527 WeakPolarHBondContact O-CB 3.29Å; N524-L527 PolarHBondContact O-N 2.9Å; P525-L527 VanDerWaalsContact C-N 3.34Å; P525-L527 PolarHBondContact O-N 2.89Å; L527-A529 VanDerWaalsContact C-N 3.33Å; L527-S530 PolarHBondContact O-N 2.69Å; L527-S530 VanDerWaalsContact O-N 3.08Å; L527-S530 PolarHBondContact O-OG 3.4Å; L527-L531 HydrophobicContact CD2-CD1 3.84Å; L527-L531 PolarHBondContact O-N 3.47Å
528	S	46.6	Very low	46.9	Very low	8 Å²	8	45.8 Å²	45.8	6%	0.056	27%	0.273	C	S	.	.	H	α-helix	trans	-60.4	-42.2	167.7	20	0	0	0	0	110.8	P525 S530 L531 F532	P525-S528 PolarHBondContact O-OG 2.9Å; S528-S530 VanDerWaalsContact C-N 3.29Å; S528-S530 PolarHBondContact O-N 3.15Å; S528-L531 PolarHBondContact O-N 2.86Å; S528-F532 VanDerWaalsContact O-CB 3.32Å; S528-F532 WeakPolarHBondContact O-CB 3.34Å; S528-F532 VanDerWaalsContact O-CD2 3.29Å; S528-F532 WeakPolarHBondContact O-CD2 3.38Å; S528-F532 PolarHBondContact O-N 2.91Å
529	A	44.2	Very low	45.6	Very low	35 Å²	35	54.1 Å²	54.1	29%	0.289	30%	0.304	S	S	.	.	H	α-helix	trans	-66.6	-24.3	172.1	0	0	0	0	0	113.8	P525 H526 L527 G533	P525-A529 WeakPolarHBondContact O-CB 3.47Å; P525-A529 PolarHBondContact O-N 3.13Å; H526-A529 CarbonylContact O-C 3.51Å; L527-A529 VanDerWaalsContact C-N 3.33Å; A529-G533 CarbonylContact O-C 3.57Å; A529-G533 WeakPolarHBondContact O-CA 2.83Å; A529-G533 PolarHBondContact O-N 3.25Å
530	S	45.2	Very low	44.6	Very low	49 Å²	49	54.2 Å²	54.2	34%	0.343	30%	0.304	S	S	.	.	H	α-helix	trans	-79.5	-33.3	174.9	73.9	0	0	0	0	112.4	H526 L527 S528	H526-S530 WeakPolarHBondContact O-CB 3.44Å; H526-S530 PolarHBondContact O-N 3.08Å; L527-S530 PolarHBondContact O-N 2.69Å; L527-S530 VanDerWaalsContact O-N 3.08Å; L527-S530 PolarHBondContact O-OG 3.4Å; S528-S530 VanDerWaalsContact C-N 3.29Å; S528-S530 PolarHBondContact O-N 3.15Å
531	L	47.4	Very low	44	Very low	27 Å²	27	55.5 Å²	55.5	14%	0.141	31%	0.31	C	S	.	.	H	α-helix	trans	-78.2	-38.3	176.3	-72.9	157.3	0	0	0	111.9	L473 L518 L527 S528	L473-L531 HydrophobicContact CD2-CD2 4.32Å; L518-L531 HydrophobicContact CD2-CD1 3.38Å; L518-L531 HydrophobicContact CD2-CD2 3.74Å; L518-L531 HydrophobicContact CD2-CG 4.2Å; L518-L531 HydrophobicContact CG-CD1 4.34Å; L527-L531 HydrophobicContact CD2-CD1 3.84Å; L527-L531 PolarHBondContact O-N 3.47Å; S528-L531 PolarHBondContact O-N 2.86Å
532	F	46.2	Very low	43.6	Very low	32 Å²	32	58.4 Å²	58.4	14%	0.14	32%	0.32	C	S	.	.	H	α-helix	trans	-114.6	-19.9	-173.7	-60.2	-72	0	0	0	114.5	S528 C583	S528-F532 VanDerWaalsContact O-CB 3.32Å; S528-F532 WeakPolarHBondContact O-CB 3.34Å; S528-F532 VanDerWaalsContact O-CD2 3.29Å; S528-F532 WeakPolarHBondContact O-CD2 3.38Å; S528-F532 PolarHBondContact O-N 2.91Å; F532-C583 WeakPolarHBondContact CZ-SG 2.85Å
533	G	40.1	Very low	43.3	Very low	14 Å²	14	56 Å²	56	14%	0.144	31%	0.305	C	S	.	.	S	Bend	trans	-82.4	-171.6	-174.3	0	0	0	0	0	113.7	A529 P540 F541	A529-G533 CarbonylContact O-C 3.57Å; A529-G533 WeakPolarHBondContact O-CA 2.83Å; A529-G533 PolarHBondContact O-N 3.25Å; G533-P540 CarbonylContact O-C 3.54Å; G533-F541 VanDerWaalsContact O-CB 3.25Å; G533-F541 WeakPolarHBondContact O-CB 3.46Å; G533-F541 PolarHBondContact O-N 3.1Å
534	Y	37.6	Very low	43.1	Very low	68 Å²	68	57.8 Å²	57.8	27%	0.267	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-105.6	142.5	-158.7	-67	-104.5	0	0	0	112.2	G538 R539 P540 Q597	Y534-G538 WeakPolarHBondContact CD1-O 3.39Å; Y534-R539 CarbonylContact C-O 3.5Å; Y534-R539 WeakPolarHBondContact CA-O 3.31Å; Y534-P540 VanDerWaalsContact CD1-CA 3.41Å; Y534-P540 HydrophobicContact CD1-CB 3.81Å; Y534-P540 HydrophobicContact CD1-CG 4.16Å; Y534-P540 HydrophobicContact CE1-CB 3.48Å; Y534-P540 VanDerWaalsContact CE1-CB 3.48Å; Y534-P540 HydrophobicContact CE1-CG 3.62Å; Y534-P540 HydrophobicContact CE2-CB 4.3Å; Y534-P540 HydrophobicContact CG-CB 4.32Å; Y534-Q597 HydrophobicContact CD1-CB 4.44Å; Y534-Q597 VanDerWaalsContact CD1-OE1 3.23Å; Y534-Q597 HydrophobicContact CE1-CB 3.82Å; Y534-Q597 HydrophobicContact CE1-CG 4.39Å; Y534-Q597 HydrophobicContact CE2-CB 4.07Å; Y534-Q597 PolarHBondContact OH-O 3.3Å
535	N	40.4	Very low	43.4	Very low	49 Å²	49	60.7 Å²	60.7	26%	0.262	33%	0.326	S	S	.	.			trans	-70.7	169.7	169.2	72.1	11.5	0	0	0	110.5	T537 G538 R539 F541	N535-T537 VanDerWaalsContact CG-OG1 3.26Å; N535-T537 PolarHBondContact ND2-OG1 3.16Å; N535-T537 PolarHBondContact O-N 3.15Å; N535-T537 WeakPolarHBondContact OD1-CA 3.1Å; N535-T537 WeakPolarHBondContact OD1-CB 3.45Å; N535-T537 PolarHBondContact OD1-N 3.2Å; N535-T537 PolarHBondContact OD1-OG1 3.17Å; N535-G538 PolarHBondContact O-N 3.35Å; N535-G538 PolarHBondContact OD1-N 2.91Å; N535-R539 PolarHBondContact N-O 3Å; N535-R539 PolarHBondContact OD1-N 3.47Å; N535-R539 VanDerWaalsContact OD1-N 3.07Å; N535-R539 PolarHBondContact OD1-O 2.92Å; N535-F541 HydrophobicContact CB-CD2 3.49Å; N535-F541 VanDerWaalsContact CB-CD2 3.49Å; N535-F541 HydrophobicContact CB-CE2 3.56Å; N535-F541 HydrophobicContact CB-CG 4.37Å; N535-F541 HydrophobicContact CB-CZ 4.5Å
536	S	40.6	Very low	43.6	Very low	133 Å²	133	59 Å²	59	93%	0.93	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-8.4	179	55.8	0	0	0	0	115.1
537	T	37.9	Very low	43.9	Very low	98 Å²	98	52.9 Å²	52.9	60%	0.601	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	8.5	174.6	66.8	0	0	0	0	113.3	N535 R539	N535-T537 VanDerWaalsContact CG-OG1 3.26Å; N535-T537 PolarHBondContact ND2-OG1 3.16Å; N535-T537 PolarHBondContact O-N 3.15Å; N535-T537 WeakPolarHBondContact OD1-CA 3.1Å; N535-T537 WeakPolarHBondContact OD1-CB 3.45Å; N535-T537 PolarHBondContact OD1-N 3.2Å; N535-T537 PolarHBondContact OD1-OG1 3.17Å; T537-R539 PolarHBondContact O-N 2.81Å
538	G	37.1	Very low	44.3	Very low	28 Å²	28	57.8 Å²	57.8	29%	0.289	31%	0.307	S	S	.	.	S	Bend	trans	68.1	23.7	-178.8	0	0	0	0	0	113.1	Y534 N535 Q597	Y534-G538 WeakPolarHBondContact CD1-O 3.39Å; N535-G538 PolarHBondContact O-N 3.35Å; N535-G538 PolarHBondContact OD1-N 2.91Å; G538-Q597 PolarHBondContact O-NE2 3.36Å; G538-Q597 VanDerWaalsContact O-NE2 3.15Å; G538-Q597 PolarHBondContact O-OE1 2.74Å
539	R	35.2	Very low	44.7	Very low	182 Å²	182	58.2 Å²	58.2	69%	0.687	31%	0.308	S	S	*	.			trans	-101.7	131.3	170.9	-66.7	-174.4	179	-173	0.4	108.8	Y534 N535 T537 F541	Y534-R539 CarbonylContact C-O 3.5Å; Y534-R539 WeakPolarHBondContact CA-O 3.31Å; N535-R539 PolarHBondContact N-O 3Å; N535-R539 PolarHBondContact OD1-N 3.47Å; N535-R539 VanDerWaalsContact OD1-N 3.07Å; N535-R539 PolarHBondContact OD1-O 2.92Å; T537-R539 PolarHBondContact O-N 2.81Å; R539-F541 PolarHBondContact O-N 2.9Å; R539-F541 VanDerWaalsContact O-N 3.17Å
540	P	39.6	Very low	45.1	Very low	24 Å²	24	57.3 Å²	57.3	16%	0.156	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-62	123.4	179.3	21.8	-24.7	0	0	0	107.2	G533 Y534 R542 N544	G533-P540 CarbonylContact O-C 3.54Å; Y534-P540 VanDerWaalsContact CD1-CA 3.41Å; Y534-P540 HydrophobicContact CD1-CB 3.81Å; Y534-P540 HydrophobicContact CD1-CG 4.16Å; Y534-P540 HydrophobicContact CE1-CB 3.48Å; Y534-P540 VanDerWaalsContact CE1-CB 3.48Å; Y534-P540 HydrophobicContact CE1-CG 3.62Å; Y534-P540 HydrophobicContact CE2-CB 4.3Å; Y534-P540 HydrophobicContact CG-CB 4.32Å; P540-R542 VanDerWaalsContact C-N 3.28Å; P540-R542 PolarHBondContact O-N 3.18Å; P540-N544 HydrophobicContact CB-CB 4.38Å; P540-N544 HydrophobicContact CG-CB 3.7Å; P540-N544 WeakPolarHBondContact CG-ND2 3.45Å; P540-N544 WeakPolarHBondContact CG-OD1 3.39Å
541	F	46.6	Very low	45.4	Very low	111 Å²	111	60.2 Å²	60.2	49%	0.487	30%	0.304	S	S	.	.	S	Bend	trans	-54.2	-48.1	-169.3	-133.5	-79.6	0	0	0	109.8	G533 N535 R539	G533-F541 VanDerWaalsContact O-CB 3.25Å; G533-F541 WeakPolarHBondContact O-CB 3.46Å; G533-F541 PolarHBondContact O-N 3.1Å; N535-F541 HydrophobicContact CB-CD2 3.49Å; N535-F541 VanDerWaalsContact CB-CD2 3.49Å; N535-F541 HydrophobicContact CB-CE2 3.56Å; N535-F541 HydrophobicContact CB-CG 4.37Å; N535-F541 HydrophobicContact CB-CZ 4.5Å; R539-F541 PolarHBondContact O-N 2.9Å; R539-F541 VanDerWaalsContact O-N 3.17Å
542	R	50.1	Low	45.7	Very low	64 Å²	64	64 Å²	64	24%	0.242	32%	0.321	C	S	.	.	S	Bend	trans	-152.4	-23	-168.6	-60.1	-179.1	-178.2	178.3	-8.1	115	D477 P540 N544 M545 V546	D477-R542 VanDerWaalsContact CG-NH1 3.26Å; D477-R542 IonicContact OD1-CZ 3.23Å; D477-R542 IonicContact OD1-NE 3.24Å; D477-R542 PolarHBondContact OD1-NE 3.24Å; D477-R542 IonicContact OD1-NH1 3.88Å; D477-R542 PolarHBondContact OD1-NH1 3.27Å; D477-R542 IonicContact OD1-NH2 2.95Å; D477-R542 PolarHBondContact OD1-NH2 3.38Å; D477-R542 VanDerWaalsContact OD1-NH2 3.16Å; D477-R542 IonicContact OD2-CZ 3.68Å; D477-R542 VanDerWaalsContact OD2-CZ 3.29Å; D477-R542 IonicContact OD2-NH1 3.19Å; D477-R542 IonicContact OD2-NH2 2.68Å; D477-R542 PolarHBondContact OD2-NH2 3.2Å; P540-R542 VanDerWaalsContact C-N 3.28Å; P540-R542 PolarHBondContact O-N 3.18Å; R542-N544 PolarHBondContact O-N 2.58Å; R542-M545 PolarHBondContact O-N 2.91Å; R542-V546 PolarHBondContact O-N 3.35Å
543	G	47.2	Very low	45.9	Very low	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-48.6	-48	173.1	0	0	0	0	0	111.5	M545 V546 C547	G543-M545 VanDerWaalsContact C-N 3.32Å; G543-M545 PolarHBondContact O-N 3.36Å; G543-V546 PolarHBondContact O-N 3.21Å; G543-C547 WeakPolarHBondContact O-CA 2.99Å; G543-C547 WeakPolarHBondContact O-CB 3.27Å; G543-C547 PolarHBondContact O-N 3.36Å; G543-C547 PolarHBondContact O-SG 2.86Å
544	N	45.6	Very low	46.4	Very low	71 Å²	71	62.4 Å²	62.4	38%	0.38	31%	0.312	S	S	.	.	H	α-helix	trans	-61.4	-29.8	176.7	-90	10.6	0	0	0	115.1	P540 R542 K548	P540-N544 HydrophobicContact CB-CB 4.38Å; P540-N544 HydrophobicContact CG-CB 3.7Å; P540-N544 WeakPolarHBondContact CG-ND2 3.45Å; P540-N544 WeakPolarHBondContact CG-OD1 3.39Å; R542-N544 PolarHBondContact O-N 2.58Å; N544-K548 WeakPolarHBondContact O-CA 3.33Å; N544-K548 WeakPolarHBondContact O-CB 3.35Å; N544-K548 PolarHBondContact O-N 3.22Å
545	M	49.4	Very low	47	Very low	88 Å²	88	60.2 Å²	60.2	43%	0.433	31%	0.306	S	S	.	.	H	α-helix	trans	-71.8	-52.1	176.5	-81.9	-179.5	170.2	0	0	110.4	R542 G543 C547 K548 W549	R542-M545 PolarHBondContact O-N 2.91Å; G543-M545 VanDerWaalsContact C-N 3.32Å; G543-M545 PolarHBondContact O-N 3.36Å; M545-C547 VanDerWaalsContact C-N 3.27Å; M545-C547 PolarHBondContact O-N 3.43Å; M545-K548 PolarHBondContact O-N 3.09Å; M545-W549 VanDerWaalsContact O-CB 3.25Å; M545-W549 WeakPolarHBondContact O-CB 3.28Å; M545-W549 PolarHBondContact O-N 2.99Å
546	V	49.9	Very low	47.5	Very low	10 Å²	10	60.7 Å²	60.7	6%	0.061	32%	0.317	C	S	.	.	H	α-helix	trans	-58	-45.4	176.1	178.7	0	0	0	0	109.8	M480 F484 L515 R542 G543 L550 L579	M480-V546 HydrophobicContact SD-CG2 4.09Å; F484-V546 HydrophobicContact CE2-CG2 4.07Å; F484-V546 HydrophobicContact CZ-CG2 4.4Å; L515-V546 HydrophobicContact CD1-CG1 4.12Å; R542-V546 PolarHBondContact O-N 3.35Å; G543-V546 PolarHBondContact O-N 3.21Å; V546-L550 HydrophobicContact CG1-CD1 4.27Å; V546-L550 WeakPolarHBondContact O-CB 3.41Å; V546-L550 VanDerWaalsContact O-CG 3.28Å; V546-L550 WeakPolarHBondContact O-CG 3.34Å; V546-L550 PolarHBondContact O-N 3.42Å; V546-L579 HydrophobicContact CG1-CD2 4.37Å
547	C	50.9	Low	47.9	Very low	6 Å²	6	55.7 Å²	55.7	4%	0.041	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-63.4	175.3	-74	0	0	0	0	111.1	G543 M545 W549 L550 K551 W604	G543-C547 WeakPolarHBondContact O-CA 2.99Å; G543-C547 WeakPolarHBondContact O-CB 3.27Å; G543-C547 PolarHBondContact O-N 3.36Å; G543-C547 PolarHBondContact O-SG 2.86Å; M545-C547 VanDerWaalsContact C-N 3.27Å; M545-C547 PolarHBondContact O-N 3.43Å; C547-W549 CarbonylContact O-C 3.5Å; C547-W549 PolarHBondContact O-N 3.41Å; C547-L550 CarbonylContact O-C 3.46Å; C547-L550 WeakPolarHBondContact O-CA 3.35Å; C547-L550 WeakPolarHBondContact O-CB 3.42Å; C547-L550 PolarHBondContact O-N 2.67Å; C547-K551 PolarHBondContact O-N 2.91Å; C547-W604 VanDerWaalsContact CA-CZ3 3.46Å; C547-W604 HydrophobicContact CB-CD2 3.78Å; C547-W604 HydrophobicContact CB-CE3 3.37Å; C547-W604 HydrophobicContact CB-CH2 3.24Å; C547-W604 HydrophobicContact CB-CZ2 3.5Å; C547-W604 HydrophobicContact CB-CZ3 3.11Å; C547-W604 WeakPolarHBondContact O-CH2 3.21Å; C547-W604 WeakPolarHBondContact O-CZ2 3.27Å; C547-W604 WeakPolarHBondContact SG-CZ3 3.2Å
548	K	52.2	Low	48.4	Very low	117 Å²	117	51.8 Å²	51.8	51%	0.509	26%	0.256	S	S	.	.	H	α-helix	trans	-49.6	-40.2	-179.8	-178.4	-178.9	173.7	-171.6	0	111.4	N544 M545 K551 E552	N544-K548 WeakPolarHBondContact O-CA 3.33Å; N544-K548 WeakPolarHBondContact O-CB 3.35Å; N544-K548 PolarHBondContact O-N 3.22Å; M545-K548 PolarHBondContact O-N 3.09Å; K548-K551 PolarHBondContact O-N 3.04Å; K548-E552 WeakPolarHBondContact CE-OE1 3.46Å; K548-E552 WeakPolarHBondContact CE-OE2 3.31Å; K548-E552 HydrophobicContact CG-CG 4.31Å; K548-E552 IonicContact NZ-OE1 2.92Å; K548-E552 WeakPolarHBondContact O-CB 3.44Å; K548-E552 WeakPolarHBondContact O-CG 3.09Å; K548-E552 PolarHBondContact O-N 3.47Å
549	W	55.3	Low	49.1	Very low	16 Å²	16	53.9 Å²	53.9	6%	0.061	26%	0.259	C	S	.	.	H	α-helix	trans	-65.1	-47.4	172.3	173.9	85.6	0	0	0	113.8	F483 F484 A508 M545 C547 K551 E552 S553	F483-W549 AromaticContact CE1-CE2 3.55Å; F483-W549 AromaticContact CE1-CZ2 3.58Å; F483-W549 HydrophobicContact CE1-CZ2 3.58Å; F483-W549 AromaticContact CE1-NE1 3.35Å; F483-W549 HydrophobicContact CZ-CZ2 4.03Å; F484-W549 HydrophobicContact CD1-CB 3.56Å; F484-W549 AromaticContact CD1-CD1 3.34Å; F484-W549 AromaticContact CD1-CD2 3.87Å; F484-W549 HydrophobicContact CD1-CD2 3.87Å; F484-W549 AromaticContact CD1-CG 3.28Å; F484-W549 HydrophobicContact CD1-CG 3.28Å; F484-W549 AromaticContact CD1-NE1 3.9Å; F484-W549 HydrophobicContact CE1-CB 3.69Å; F484-W549 AromaticContact CE1-CD1 3.6Å; F484-W549 AromaticContact CE1-CD2 3.28Å; F484-W549 HydrophobicContact CE1-CD2 3.28Å; F484-W549 AromaticContact CE1-CE2 3.72Å; F484-W549 AromaticContact CE1-CE3 3.7Å; F484-W549 HydrophobicContact CE1-CE3 3.7Å; F484-W549 AromaticContact CE1-CG 3.22Å; F484-W549 HydrophobicContact CE1-CG 3.22Å; F484-W549 HydrophobicContact CE1-CZ2 4.48Å; F484-W549 HydrophobicContact CE1-CZ3 4.44Å; F484-W549 AromaticContact CE1-NE1 3.85Å; F484-W549 HydrophobicContact CG-CB 4.41Å; F484-W549 HydrophobicContact CG-CG 4.48Å; F484-W549 HydrophobicContact CZ-CD2 4.26Å; F484-W549 HydrophobicContact CZ-CE3 4.27Å; F484-W549 HydrophobicContact CZ-CG 4.37Å; A508-W549 HydrophobicContact CB-CH2 3.68Å; A508-W549 HydrophobicContact CB-CZ2 3.57Å; M545-W549 VanDerWaalsContact O-CB 3.25Å; M545-W549 WeakPolarHBondContact O-CB 3.28Å; M545-W549 PolarHBondContact O-N 2.99Å; C547-W549 CarbonylContact O-C 3.5Å; C547-W549 PolarHBondContact O-N 3.41Å; W549-K551 PolarHBondContact O-N 3.48Å; W549-E552 PolarHBondContact O-N 2.81Å; W549-S553 PolarHBondContact NE1-OG 2.83Å; W549-S553 WeakPolarHBondContact O-CA 3.25Å; W549-S553 VanDerWaalsContact O-CB 3.22Å; W549-S553 WeakPolarHBondContact O-CB 3.39Å; W549-S553 PolarHBondContact O-N 3.49Å; W549-S553 PolarHBondContact O-OG 3.28Å
550	L	52.5	Low	49.8	Very low	16 Å²	16	49.4 Å²	49.4	8%	0.084	25%	0.252	C	S	.	.	I	π-helix	trans	-52.3	-38.6	173.3	-76.9	171.4	0	0	0	110.7	V546 C547 C554 I576 L579 W604	V546-L550 HydrophobicContact CG1-CD1 4.27Å; V546-L550 WeakPolarHBondContact O-CB 3.41Å; V546-L550 VanDerWaalsContact O-CG 3.28Å; V546-L550 WeakPolarHBondContact O-CG 3.34Å; V546-L550 PolarHBondContact O-N 3.42Å; C547-L550 CarbonylContact O-C 3.46Å; C547-L550 WeakPolarHBondContact O-CA 3.35Å; C547-L550 WeakPolarHBondContact O-CB 3.42Å; C547-L550 PolarHBondContact O-N 2.67Å; L550-C554 WeakPolarHBondContact O-CA 3.42Å; L550-C554 WeakPolarHBondContact O-CB 3.09Å; L550-C554 PolarHBondContact O-N 3.5Å; L550-C554 VanDerWaalsContact O-N 3.07Å; L550-C554 PolarHBondContact O-SG 3.16Å; L550-I576 HydrophobicContact CD2-CB 4.45Å; L550-I576 HydrophobicContact CD2-CD1 3.58Å; L550-I576 HydrophobicContact CD2-CG1 3.5Å; L550-I576 VanDerWaalsContact CD2-CG1 3.5Å; L550-I576 HydrophobicContact CD2-CG2 4.17Å; L550-L579 HydrophobicContact CD1-CD2 4.31Å; L550-W604 HydrophobicContact CB-CH2 4.15Å
551	K	52.2	Low	50.2	Low	110 Å²	110	48.8 Å²	48.8	48%	0.478	25%	0.248	S	C	.	.	I	π-helix	trans	-72.9	-53.6	175.5	-179.4	175.8	-176	172.3	0	113.2	C547 K548 W549 C555 W604	C547-K551 PolarHBondContact O-N 2.91Å; K548-K551 PolarHBondContact O-N 3.04Å; W549-K551 PolarHBondContact O-N 3.48Å; K551-C555 VanDerWaalsContact O-CB 3.23Å; K551-C555 WeakPolarHBondContact O-CB 3.38Å; K551-C555 PolarHBondContact O-N 2.78Å; K551-C555 VanDerWaalsContact O-N 3.16Å; K551-W604 HydrophobicContact CB-CH2 4.21Å; K551-W604 HydrophobicContact CB-CZ2 3.56Å; K551-W604 HydrophobicContact CD-CZ2 4.27Å
552	E	52.6	Low	50.4	Low	106 Å²	106	46.9 Å²	46.9	50%	0.495	24%	0.241	S	C	.	.	I	π-helix	trans	-68	-42.4	-174.8	-73.2	178.6	170.2	0	0	112.1	K548 W549 A556	K548-E552 WeakPolarHBondContact CE-OE1 3.46Å; K548-E552 WeakPolarHBondContact CE-OE2 3.31Å; K548-E552 HydrophobicContact CG-CG 4.31Å; K548-E552 IonicContact NZ-OE1 2.92Å; K548-E552 WeakPolarHBondContact O-CB 3.44Å; K548-E552 WeakPolarHBondContact O-CG 3.09Å; K548-E552 PolarHBondContact O-N 3.47Å; W549-E552 PolarHBondContact O-N 2.81Å; E552-A556 WeakPolarHBondContact O-CB 3.36Å
553	S	50.7	Low	50.5	Low	9 Å²	9	53.7 Å²	53.7	6%	0.063	27%	0.272	C	S	.	.	I	π-helix	trans	-81.7	-49	-179.5	-58.1	0	0	0	0	111.9	L489 W549 N557 I558	L489-S553 WeakPolarHBondContact CD1-OG 3.3Å; W549-S553 PolarHBondContact NE1-OG 2.83Å; W549-S553 WeakPolarHBondContact O-CA 3.25Å; W549-S553 VanDerWaalsContact O-CB 3.22Å; W549-S553 WeakPolarHBondContact O-CB 3.39Å; W549-S553 PolarHBondContact O-N 3.49Å; W549-S553 PolarHBondContact O-OG 3.28Å; S553-N557 WeakPolarHBondContact O-CB 3.4Å; S553-N557 PolarHBondContact O-N 2.91Å; S553-I558 PolarHBondContact O-N 3.27Å
554	C	51.3	Low	50.6	Low	5 Å²	5	55.9 Å²	55.9	3%	0.034	29%	0.288	C	S	.	.	I	π-helix	trans	-81.7	-35.9	-170.8	-48.8	0	0	0	0	113.8	L550 I558 I576 L611	L550-C554 WeakPolarHBondContact O-CA 3.42Å; L550-C554 WeakPolarHBondContact O-CB 3.09Å; L550-C554 PolarHBondContact O-N 3.5Å; L550-C554 VanDerWaalsContact O-N 3.07Å; L550-C554 PolarHBondContact O-SG 3.16Å; C554-I558 VanDerWaalsContact CA-CD1 3.5Å; C554-I558 HydrophobicContact CB-CD1 3.71Å; C554-I558 HydrophobicContact CB-CG1 4.49Å; C554-I558 WeakPolarHBondContact O-CB 3.25Å; C554-I576 HydrophobicContact CB-CD1 4.29Å; C554-I576 VanDerWaalsContact SG-CD1 3.59Å; C554-L611 HydrophobicContact CB-CD1 3.85Å
555	C	50.8	Low	51.3	Low	21 Å²	21	54.8 Å²	54.8	14%	0.142	28%	0.281	C	S	.	.	I	π-helix	trans	-81.1	-38.9	-178.6	-60.4	0	0	0	0	112.2	K551 I559 D610	K551-C555 VanDerWaalsContact O-CB 3.23Å; K551-C555 WeakPolarHBondContact O-CB 3.38Å; K551-C555 PolarHBondContact O-N 2.78Å; K551-C555 VanDerWaalsContact O-N 3.16Å; C555-I559 WeakPolarHBondContact O-CD1 3.43Å; C555-I559 WeakPolarHBondContact O-CG1 3.44Å; C555-D610 HydrophobicContact CB-CB 4.18Å
556	A	50.3	Low	51.8	Low	60 Å²	60	52 Å²	52	50%	0.496	27%	0.27	S	S	.	.	I	π-helix	trans	-87.6	-46	-174	0	0	0	0	0	113.2	E552	E552-A556 WeakPolarHBondContact O-CB 3.36Å
557	N	47.6	Very low	52.3	Low	28 Å²	28	59.6 Å²	59.6	15%	0.15	30%	0.297	C	S	.	.	I	π-helix	trans	-91.9	-38.2	-170.4	-66.6	-25	0	0	0	112.4	L489 S553 I559 T560 T561	L489-N557 WeakPolarHBondContact CD1-ND2 3.37Å; S553-N557 WeakPolarHBondContact O-CB 3.4Å; S553-N557 PolarHBondContact O-N 2.91Å; N557-I559 VanDerWaalsContact C-N 3.31Å; N557-I559 PolarHBondContact O-N 3.38Å; N557-T560 WeakPolarHBondContact O-CA 3.44Å; N557-T560 WeakPolarHBondContact O-CB 3.45Å; N557-T560 PolarHBondContact O-N 2.92Å; N557-T560 PolarHBondContact O-OG1 3.01Å; N557-T561 WeakPolarHBondContact O-CG2 3.39Å; N557-T561 PolarHBondContact O-N 3.04Å
558	I	50	Low	52.7	Low	16 Å²	16	59.9 Å²	59.9	8%	0.082	30%	0.299	C	S	.	.	H	α-helix	trans	-68.1	-31.8	-171.8	-61.7	-177.3	0	0	0	113.2	L505 S553 C554 T560 T561 Q562 F569 L572	L505-I558 HydrophobicContact CD1-CD1 3.96Å; L505-I558 HydrophobicContact CD1-CG1 4.28Å; L505-I558 HydrophobicContact CD1-CG2 4.46Å; S553-I558 PolarHBondContact O-N 3.27Å; C554-I558 VanDerWaalsContact CA-CD1 3.5Å; C554-I558 HydrophobicContact CB-CD1 3.71Å; C554-I558 HydrophobicContact CB-CG1 4.49Å; C554-I558 WeakPolarHBondContact O-CB 3.25Å; I558-T560 PolarHBondContact O-N 3.24Å; I558-T560 VanDerWaalsContact O-N 3.13Å; I558-T561 WeakPolarHBondContact CA-OG1 3.21Å; I558-T561 PolarHBondContact O-N 2.82Å; I558-T561 VanDerWaalsContact O-N 3.08Å; I558-T561 PolarHBondContact O-OG1 2.67Å; I558-Q562 PolarHBondContact O-N 2.85Å; I558-F569 HydrophobicContact CB-CE2 4.34Å; I558-F569 HydrophobicContact CG2-CD2 3.09Å; I558-F569 HydrophobicContact CG2-CE2 3.07Å; I558-F569 HydrophobicContact CG2-CG 4.17Å; I558-F569 HydrophobicContact CG2-CZ 4.13Å; I558-L572 HydrophobicContact CD1-CD2 3.36Å
559	I	50.7	Low	53	Low	71 Å²	71	54.9 Å²	54.9	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-57.5	-29.1	172.5	-60.6	-178.9	0	0	0	110.9	C555 N557 D610 F614	C555-I559 WeakPolarHBondContact O-CD1 3.43Å; C555-I559 WeakPolarHBondContact O-CG1 3.44Å; N557-I559 VanDerWaalsContact C-N 3.31Å; N557-I559 PolarHBondContact O-N 3.38Å; I559-D610 HydrophobicContact CD1-CB 4.46Å; I559-F614 HydrophobicContact CG1-CD2 4.35Å; I559-F614 HydrophobicContact CG2-CD2 4.46Å
560	T	49.4	Very low	53.4	Low	89 Å²	89	54.1 Å²	54.1	55%	0.546	28%	0.275	S	S	.	.	H	α-helix	trans	-86.9	-26.4	177.7	71.1	0	0	0	0	113.7	N557 I558	N557-T560 WeakPolarHBondContact O-CA 3.44Å; N557-T560 WeakPolarHBondContact O-CB 3.45Å; N557-T560 PolarHBondContact O-N 2.92Å; N557-T560 PolarHBondContact O-OG1 3.01Å; I558-T560 PolarHBondContact O-N 3.24Å; I558-T560 VanDerWaalsContact O-N 3.13Å
561	T	49.6	Very low	53.8	Low	10 Å²	10	55.5 Å²	55.5	6%	0.061	28%	0.284	C	S	.	.	H	α-helix	trans	-90.1	3	-175	61	0	0	0	0	114.4	N501 N557 I558 K563 S564	N501-T561 HydrophobicContact CB-CG2 3.41Å; N501-T561 VanDerWaalsContact CB-CG2 3.41Å; N501-T561 WeakPolarHBondContact ND2-CG2 2.83Å; N557-T561 WeakPolarHBondContact O-CG2 3.39Å; N557-T561 PolarHBondContact O-N 3.04Å; I558-T561 WeakPolarHBondContact CA-OG1 3.21Å; I558-T561 PolarHBondContact O-N 2.82Å; I558-T561 VanDerWaalsContact O-N 3.08Å; I558-T561 PolarHBondContact O-OG1 2.67Å; T561-K563 PolarHBondContact O-N 3.27Å; T561-S564 PolarHBondContact O-N 3.03Å; T561-S564 PolarHBondContact O-OG 3.37Å; T561-S564 VanDerWaalsContact O-OG 3.11Å
562	Q	49.6	Very low	54.2	Low	71 Å²	71	50.2 Å²	50.2	33%	0.332	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.8	-30.4	178.3	-171.5	-175.8	11	0	0	113.9	I558 F622	I558-Q562 PolarHBondContact O-N 2.85Å; Q562-F622 HydrophobicContact CG-CE2 4.3Å
563	K	51.8	Low	54.7	Low	207 Å²	207	45.3 Å²	45.3	90%	0.9	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-14.8	-175.2	-67.3	-172.4	177.5	-177.1	0	115.4	T561	T561-K563 PolarHBondContact O-N 3.27Å
564	S	51.3	Low	55.3	Low	47 Å²	47	45.8 Å²	45.8	33%	0.329	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-32	-168.3	57.2	0	0	0	0	115.6	T561	T561-S564 PolarHBondContact O-N 3.03Å; T561-S564 PolarHBondContact O-OG 3.37Å; T561-S564 VanDerWaalsContact O-OG 3.11Å
565	N	59	Low	55.9	Low	47 Å²	47	46.4 Å²	46.4	25%	0.251	24%	0.243	S	C	.	.			trans	-160	87.6	-179.5	-171.5	-13.5	0	0	0	112.1	L505 R567 S568 F569	L505-N565 HydrophobicContact CD2-CB 4.15Å; L505-N565 WeakPolarHBondContact CD2-O 3.3Å; N565-R567 PolarHBondContact O-N 3.46Å; N565-S568 PolarHBondContact ND2-OG 3.34Å; N565-S568 PolarHBondContact OD1-N 3.22Å; N565-S568 PolarHBondContact OD1-OG 2.92Å; N565-F569 PolarHBondContact O-N 2.93Å
566	T	60.1	Low	56.5	Low	31 Å²	31	45.8 Å²	45.8	19%	0.19	24%	0.239	C	C	.	.	H	α-helix	trans	-65.5	-38	-174.9	-29.6	0	0	0	0	112.8	F569 V570 F622 L633	T566-F569 WeakPolarHBondContact O-CB 3.22Å; T566-F569 PolarHBondContact O-N 3.08Å; T566-V570 WeakPolarHBondContact O-CG2 3.36Å; T566-V570 PolarHBondContact O-N 3.43Å; T566-F622 HydrophobicContact CG2-CE1 4.3Å; T566-F622 HydrophobicContact CG2-CE2 4.27Å; T566-F622 HydrophobicContact CG2-CZ 3.44Å; T566-F622 VanDerWaalsContact CG2-CZ 3.44Å; T566-L633 VanDerWaalsContact CB-CD2 3.48Å; T566-L633 HydrophobicContact CG2-CD2 3.38Å
567	R	60.9	Low	57.1	Low	169 Å²	169	43.4 Å²	43.4	64%	0.638	22%	0.218	S	C	*	.	H	α-helix	trans	-65.4	-52.5	-178.9	-170.5	177.4	-176.1	174.8	2.6	112.2	N565 F569 V570 T571 L633	N565-R567 PolarHBondContact O-N 3.46Å; R567-F569 PolarHBondContact O-N 2.92Å; R567-F569 VanDerWaalsContact O-N 3.17Å; R567-V570 PolarHBondContact O-N 3.27Å; R567-V570 VanDerWaalsContact O-N 3.1Å; R567-T571 PolarHBondContact O-N 3.18Å; R567-T571 PolarHBondContact O-OG1 3.47Å; R567-T571 VanDerWaalsContact O-OG1 3.12Å; R567-L633 HydrophobicContact CB-CD1 4.34Å; R567-L633 HydrophobicContact CG-CD1 4.49Å
568	S	57.9	Low	57.9	Low	11 Å²	11	44.9 Å²	44.9	8%	0.077	22%	0.223	C	C	.	.	H	α-helix	trans	-60.9	-28.4	177.2	-57.9	0	0	0	0	111.9	Q506 N565 L572	Q506-S568 PolarHBondContact OE1-OG 3.41Å; N565-S568 PolarHBondContact ND2-OG 3.34Å; N565-S568 PolarHBondContact OD1-N 3.22Å; N565-S568 PolarHBondContact OD1-OG 2.92Å; S568-L572 WeakPolarHBondContact O-CB 3.31Å; S568-L572 PolarHBondContact O-N 3.16Å
569	F	60.3	Low	58.5	Low	12 Å²	12	44.6 Å²	44.6	5%	0.053	22%	0.222	C	C	.	.	H	α-helix	trans	-68.5	-48.1	173.3	172.4	-116.4	0	0	0	112.5	L505 I558 N565 T566 R567 T571 L572 V573 F614 F615	L505-F569 HydrophobicContact CD2-CB 4.1Å; I558-F569 HydrophobicContact CB-CE2 4.34Å; I558-F569 HydrophobicContact CG2-CD2 3.09Å; I558-F569 HydrophobicContact CG2-CE2 3.07Å; I558-F569 HydrophobicContact CG2-CG 4.17Å; I558-F569 HydrophobicContact CG2-CZ 4.13Å; N565-F569 PolarHBondContact O-N 2.93Å; T566-F569 WeakPolarHBondContact O-CB 3.22Å; T566-F569 PolarHBondContact O-N 3.08Å; R567-F569 PolarHBondContact O-N 2.92Å; R567-F569 VanDerWaalsContact O-N 3.17Å; F569-T571 VanDerWaalsContact C-N 3.35Å; F569-T571 PolarHBondContact O-N 2.71Å; F569-L572 PolarHBondContact O-N 3.29Å; F569-V573 HydrophobicContact CD2-CG2 3.87Å; F569-V573 HydrophobicContact CE1-CG2 4.4Å; F569-V573 HydrophobicContact CE2-CG2 3.43Å; F569-V573 VanDerWaalsContact CE2-CG2 3.43Å; F569-V573 HydrophobicContact CZ-CG2 3.77Å; F569-V573 VanDerWaalsContact O-CG2 3.23Å; F569-V573 WeakPolarHBondContact O-CG2 3.41Å; F569-V573 PolarHBondContact O-N 3.38Å; F569-F614 AromaticContact CE1-CE1 3.82Å; F569-F614 HydrophobicContact CE1-CE1 3.82Å; F569-F614 HydrophobicContact CE1-CZ 4.33Å; F569-F614 HydrophobicContact CZ-CD1 4.28Å; F569-F614 AromaticContact CZ-CE1 3.7Å; F569-F614 HydrophobicContact CZ-CE1 3.7Å; F569-F614 HydrophobicContact CZ-CZ 4.36Å; F569-F615 AromaticContact CE1-CZ 3.87Å; F569-F615 HydrophobicContact CE1-CZ 3.87Å; F569-F615 HydrophobicContact CE2-CZ 4.44Å; F569-F615 AromaticContact CZ-CE2 3.88Å; F569-F615 HydrophobicContact CZ-CE2 3.88Å; F569-F615 AromaticContact CZ-CZ 3.59Å; F569-F615 HydrophobicContact CZ-CZ 3.59Å
570	V	62.3	Low	59	Low	1 Å²	1	42 Å²	42	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-61.9	-43.6	177.3	176	0	0	0	0	111.1	T566 R567 V573 T574 L633 E636 Y637	T566-V570 WeakPolarHBondContact O-CG2 3.36Å; T566-V570 PolarHBondContact O-N 3.43Å; R567-V570 PolarHBondContact O-N 3.27Å; R567-V570 VanDerWaalsContact O-N 3.1Å; V570-V573 PolarHBondContact O-N 3.01Å; V570-T574 WeakPolarHBondContact O-CB 3.46Å; V570-T574 PolarHBondContact O-N 3.36Å; V570-T574 PolarHBondContact O-OG1 2.9Å; V570-L633 HydrophobicContact CB-CD1 4Å; V570-L633 HydrophobicContact CG1-CD1 4.43Å; V570-L633 HydrophobicContact CG2-CD1 3.73Å; V570-L633 HydrophobicContact CG2-CG 4.19Å; V570-E636 HydrophobicContact CG1-CB 4.01Å; V570-E636 HydrophobicContact CG1-CG 3.63Å; V570-Y637 HydrophobicContact CG2-CD2 4.08Å
571	T	61.6	Low	59.5	Low	44 Å²	44	39.5 Å²	39.5	27%	0.27	19%	0.192	S	C	.	.	H	α-helix	trans	-60	-48	174.6	-54	0	0	0	0	111.2	R567 F569 V573 T574 N575	R567-T571 PolarHBondContact O-N 3.18Å; R567-T571 PolarHBondContact O-OG1 3.47Å; R567-T571 VanDerWaalsContact O-OG1 3.12Å; F569-T571 VanDerWaalsContact C-N 3.35Å; F569-T571 PolarHBondContact O-N 2.71Å; T571-V573 VanDerWaalsContact C-N 3.34Å; T571-V573 PolarHBondContact O-N 2.97Å; T571-T574 PolarHBondContact O-N 3.32Å; T571-N575 VanDerWaalsContact O-CB 3.24Å; T571-N575 WeakPolarHBondContact O-CB 3.23Å; T571-N575 PolarHBondContact O-N 3.47Å; T571-N575 PolarHBondContact O-OD1 2.92Å
572	L	61.5	Low	59.9	Low	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.2	-44.2	178.5	176.2	63.9	0	0	0	111.9	L505 A508 A509 S512 I558 S568 F569 N575 I576	L505-L572 HydrophobicContact CD1-CD2 3.58Å; A508-L572 HydrophobicContact CB-CD1 4.11Å; A508-L572 HydrophobicContact CB-CD2 4.12Å; A509-L572 HydrophobicContact CB-CB 4.47Å; S512-L572 VanDerWaalsContact OG-CD1 3.3Å; S512-L572 WeakPolarHBondContact OG-CD1 3.48Å; I558-L572 HydrophobicContact CD1-CD2 3.36Å; S568-L572 WeakPolarHBondContact O-CB 3.31Å; S568-L572 PolarHBondContact O-N 3.16Å; F569-L572 PolarHBondContact O-N 3.29Å; L572-N575 WeakPolarHBondContact O-CB 3.18Å; L572-N575 PolarHBondContact O-N 3.25Å; L572-I576 HydrophobicContact CD1-CD1 4.03Å; L572-I576 HydrophobicContact CD1-CG1 4.28Å; L572-I576 HydrophobicContact CG-CD1 3.87Å; L572-I576 HydrophobicContact CG-CG1 4.5Å; L572-I576 WeakPolarHBondContact O-CG1 3.4Å; L572-I576 PolarHBondContact O-N 3.49Å
573	V	62.6	Low	60.2	Low	2 Å²	2	37.1 Å²	37.1	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-67.8	-44.9	-179	174.7	0	0	0	0	111.1	F569 V570 T571 N575 I576 L577 F615 T640	F569-V573 HydrophobicContact CD2-CG2 3.87Å; F569-V573 HydrophobicContact CE1-CG2 4.4Å; F569-V573 HydrophobicContact CE2-CG2 3.43Å; F569-V573 VanDerWaalsContact CE2-CG2 3.43Å; F569-V573 HydrophobicContact CZ-CG2 3.77Å; F569-V573 VanDerWaalsContact O-CG2 3.23Å; F569-V573 WeakPolarHBondContact O-CG2 3.41Å; F569-V573 PolarHBondContact O-N 3.38Å; V570-V573 PolarHBondContact O-N 3.01Å; T571-V573 VanDerWaalsContact C-N 3.34Å; T571-V573 PolarHBondContact O-N 2.97Å; V573-N575 PolarHBondContact O-N 2.64Å; V573-I576 PolarHBondContact O-N 3.36Å; V573-I576 VanDerWaalsContact O-N 3.1Å; V573-L577 HydrophobicContact CG1-CD1 4.2Å; V573-L577 HydrophobicContact CG1-CG 4.42Å; V573-L577 WeakPolarHBondContact O-CG 3.28Å; V573-L577 PolarHBondContact O-N 3.38Å; V573-F615 HydrophobicContact CB-CE2 4.16Å; V573-F615 HydrophobicContact CB-CZ 3.77Å; V573-F615 HydrophobicContact CG1-CD2 4.23Å; V573-F615 HydrophobicContact CG1-CE1 3.88Å; V573-F615 HydrophobicContact CG1-CE2 3.51Å; V573-F615 HydrophobicContact CG1-CZ 3.35Å; V573-F615 HydrophobicContact CG2-CE2 3.63Å; V573-F615 HydrophobicContact CG2-CZ 3.4Å; V573-F615 VanDerWaalsContact CG2-CZ 3.4Å; V573-T640 HydrophobicContact CB-CG2 4.28Å; V573-T640 HydrophobicContact CG1-CG2 3.62Å
574	T	63.8	Low	60.4	Low	19 Å²	19	27.2 Å²	27.2	12%	0.117	14%	0.141	C	C	.	.	H	α-helix	trans	-56.3	-43.3	175.8	-58.5	0	0	0	0	110.1	V570 T571 I576 L577 E578 T640	V570-T574 WeakPolarHBondContact O-CB 3.46Å; V570-T574 PolarHBondContact O-N 3.36Å; V570-T574 PolarHBondContact O-OG1 2.9Å; T571-T574 PolarHBondContact O-N 3.32Å; T574-I576 PolarHBondContact O-N 3.15Å; T574-L577 PolarHBondContact O-N 3.49Å; T574-E578 PolarHBondContact O-N 2.94Å; T574-T640 PolarHBondContact OG1-OG1 3.36Å
575	N	63.4	Low	60.7	Low	18 Å²	18	29.1 Å²	29.1	10%	0.096	15%	0.146	C	C	.	.	H	α-helix	trans	-61.5	-43.7	176.1	-78.4	-2	0	0	0	112.7	T513 I516 T571 L572 V573 E578 L579	T513-N575 PolarHBondContact N-ND2 2.95Å; T513-N575 PolarHBondContact OG1-ND2 2.94Å; I516-N575 HydrophobicContact CD1-CB 3.28Å; I516-N575 WeakPolarHBondContact CD1-O 3.49Å; I516-N575 VanDerWaalsContact CD1-OD1 3.23Å; I516-N575 WeakPolarHBondContact CD1-OD1 3.07Å; T571-N575 VanDerWaalsContact O-CB 3.24Å; T571-N575 WeakPolarHBondContact O-CB 3.23Å; T571-N575 PolarHBondContact O-N 3.47Å; T571-N575 PolarHBondContact O-OD1 2.92Å; L572-N575 WeakPolarHBondContact O-CB 3.18Å; L572-N575 PolarHBondContact O-N 3.25Å; V573-N575 PolarHBondContact O-N 2.64Å; N575-E578 PolarHBondContact O-N 2.89Å; N575-L579 WeakPolarHBondContact O-CB 3.28Å; N575-L579 PolarHBondContact O-N 2.88Å
576	I	63.1	Low	60.3	Low	8 Å²	8	27.9 Å²	27.9	4%	0.041	14%	0.14	C	C	.	.	H	α-helix	trans	-62.7	-44.2	176.9	-68.8	167.6	0	0	0	110.9	L550 C554 L572 V573 T574 E578 L579 I580	L550-I576 HydrophobicContact CD2-CB 4.45Å; L550-I576 HydrophobicContact CD2-CD1 3.58Å; L550-I576 HydrophobicContact CD2-CG1 3.5Å; L550-I576 VanDerWaalsContact CD2-CG1 3.5Å; L550-I576 HydrophobicContact CD2-CG2 4.17Å; C554-I576 HydrophobicContact CB-CD1 4.29Å; C554-I576 VanDerWaalsContact SG-CD1 3.59Å; L572-I576 HydrophobicContact CD1-CD1 4.03Å; L572-I576 HydrophobicContact CD1-CG1 4.28Å; L572-I576 HydrophobicContact CG-CD1 3.87Å; L572-I576 HydrophobicContact CG-CG1 4.5Å; L572-I576 WeakPolarHBondContact O-CG1 3.4Å; L572-I576 PolarHBondContact O-N 3.49Å; V573-I576 PolarHBondContact O-N 3.36Å; V573-I576 VanDerWaalsContact O-N 3.1Å; T574-I576 PolarHBondContact O-N 3.15Å; I576-E578 VanDerWaalsContact C-N 3.34Å; I576-E578 PolarHBondContact O-N 2.96Å; I576-L579 WeakPolarHBondContact O-CB 2.98Å; I576-L579 PolarHBondContact O-N 2.96Å; I576-I580 HydrophobicContact CG2-CD1 3.78Å; I576-I580 HydrophobicContact CG2-CG1 4.34Å; I576-I580 WeakPolarHBondContact O-CG1 3.48Å; I576-I580 PolarHBondContact O-N 3.3Å
577	L	63.2	Low	59.8	Low	11 Å²	11	27.8 Å²	27.8	6%	0.058	14%	0.14	C	C	.	.	H	α-helix	trans	-63.9	-40.6	178.3	-69.9	172.4	0	0	0	111.9	V573 T574 I580 N581 T640 M644	V573-L577 HydrophobicContact CG1-CD1 4.2Å; V573-L577 HydrophobicContact CG1-CG 4.42Å; V573-L577 WeakPolarHBondContact O-CG 3.28Å; V573-L577 PolarHBondContact O-N 3.38Å; T574-L577 PolarHBondContact O-N 3.49Å; L577-I580 PolarHBondContact O-N 3.19Å; L577-N581 WeakPolarHBondContact O-CB 3.38Å; L577-N581 PolarHBondContact O-N 2.8Å; L577-T640 HydrophobicContact CD1-CG2 3.55Å; L577-T640 WeakPolarHBondContact CD1-O 3.48Å; L577-M644 HydrophobicContact CD1-CB 3.79Å; L577-M644 HydrophobicContact CD1-CG 4.43Å; L577-M644 HydrophobicContact CD2-CB 4.08Å; L577-M644 HydrophobicContact CD2-CG 3.98Å
578	E	64.7	Low	59	Low	58 Å²	58	25.7 Å²	25.7	27%	0.271	14%	0.14	S	C	.	.	H	α-helix	trans	-63.5	-43.8	175.1	-167.1	169.1	170.9	0	0	110.7	I516 K520 T574 N575 I576 I580 N581 S582	I516-E578 HydrophobicContact CD1-CB 4.23Å; I516-E578 HydrophobicContact CG1-CB 4.36Å; I516-E578 HydrophobicContact CG1-CG 4.48Å; I516-E578 VanDerWaalsContact CG2-CD 3.49Å; I516-E578 HydrophobicContact CG2-CG 4.09Å; I516-E578 WeakPolarHBondContact CG2-OE1 2.97Å; K520-E578 WeakPolarHBondContact CE-OE1 3.47Å; K520-E578 IonicContact NZ-OE1 3.29Å; T574-E578 PolarHBondContact O-N 2.94Å; N575-E578 PolarHBondContact O-N 2.89Å; I576-E578 VanDerWaalsContact C-N 3.34Å; I576-E578 PolarHBondContact O-N 2.96Å; E578-I580 PolarHBondContact O-N 3.1Å; E578-N581 PolarHBondContact O-N 2.81Å; E578-S582 WeakPolarHBondContact O-CB 3.19Å; E578-S582 PolarHBondContact O-N 3.17Å; E578-S582 PolarHBondContact O-OG 3.41Å
579	L	61.6	Low	58.1	Low	10 Å²	10	30.8 Å²	30.8	5%	0.052	17%	0.166	C	C	.	.	H	α-helix	trans	-60.5	-45.4	174.9	-165.5	80.7	0	0	0	112	L515 V546 L550 N575 I576 S582 C583	L515-L579 HydrophobicContact CB-CD1 3.79Å; V546-L579 HydrophobicContact CG1-CD2 4.37Å; L550-L579 HydrophobicContact CD1-CD2 4.31Å; N575-L579 WeakPolarHBondContact O-CB 3.28Å; N575-L579 PolarHBondContact O-N 2.88Å; I576-L579 WeakPolarHBondContact O-CB 2.98Å; I576-L579 PolarHBondContact O-N 2.96Å; L579-S582 PolarHBondContact O-N 3.13Å; L579-C583 WeakPolarHBondContact O-CB 3.45Å; L579-C583 PolarHBondContact O-N 2.93Å; L579-C583 PolarHBondContact O-SG 3.37Å
580	I	61	Low	57	Low	18 Å²	18	32 Å²	32	9%	0.092	17%	0.173	C	C	.	.	H	α-helix	trans	-59.7	-49	176.3	-68.5	166.6	0	0	0	109.6	I576 L577 E578 S582 C583 L584 L605 V647	I576-I580 HydrophobicContact CG2-CD1 3.78Å; I576-I580 HydrophobicContact CG2-CG1 4.34Å; I576-I580 WeakPolarHBondContact O-CG1 3.48Å; I576-I580 PolarHBondContact O-N 3.3Å; L577-I580 PolarHBondContact O-N 3.19Å; E578-I580 PolarHBondContact O-N 3.1Å; I580-S582 PolarHBondContact O-N 3.46Å; I580-C583 PolarHBondContact O-N 3.33Å; I580-L584 HydrophobicContact CG2-CD1 3.75Å; I580-L584 HydrophobicContact CG2-CG 4.23Å; I580-L584 VanDerWaalsContact O-CG 3.28Å; I580-L584 WeakPolarHBondContact O-CG 3.17Å; I580-L584 PolarHBondContact O-N 3.49Å; I580-L605 HydrophobicContact CB-CD2 4.42Å; I580-L605 HydrophobicContact CG1-CD2 3.74Å; I580-L605 HydrophobicContact CG2-CD2 4.4Å; I580-V647 HydrophobicContact CG2-CG1 4.27Å
581	N	61.2	Low	55.8	Low	35 Å²	35	39.4 Å²	39.4	19%	0.187	21%	0.213	C	C	.	.	H	α-helix	trans	-61.2	-45.1	-179.5	-168.1	42.1	0	0	0	111.7	L577 E578 C583 L584 L585 V647 W651	L577-N581 WeakPolarHBondContact O-CB 3.38Å; L577-N581 PolarHBondContact O-N 2.8Å; E578-N581 PolarHBondContact O-N 2.81Å; N581-C583 PolarHBondContact O-N 3.24Å; N581-L584 PolarHBondContact O-N 3.33Å; N581-L585 WeakPolarHBondContact O-CB 2.97Å; N581-L585 WeakPolarHBondContact O-CG 3.49Å; N581-L585 PolarHBondContact O-N 3.11Å; N581-V647 HydrophobicContact CB-CG2 3.8Å; N581-W651 PolarHBondContact OD1-NE1 3.35Å
582	S	57.5	Low	54.7	Low	23 Å²	23	42 Å²	42	16%	0.161	23%	0.228	C	C	.	.	H	α-helix	trans	-61.5	-41.1	174.6	-66.2	0	0	0	0	112.2	E578 L579 I580 N586	E578-S582 WeakPolarHBondContact O-CB 3.19Å; E578-S582 PolarHBondContact O-N 3.17Å; E578-S582 PolarHBondContact O-OG 3.41Å; L579-S582 PolarHBondContact O-N 3.13Å; I580-S582 PolarHBondContact O-N 3.46Å; S582-N586 WeakPolarHBondContact O-CB 3.5Å; S582-N586 PolarHBondContact O-N 3.1Å; S582-N586 VanDerWaalsContact O-N 3.09Å; S582-N586 PolarHBondContact O-ND2 2.95Å; S582-N586 VanDerWaalsContact O-ND2 3.11Å
583	C	56.4	Low	53.8	Low	8 Å²	8	51.8 Å²	51.8	5%	0.054	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-46.1	175.8	-69.9	0	0	0	0	111.6	F532 L579 I580 N581 N586 T587 L605	F532-C583 WeakPolarHBondContact CZ-SG 2.85Å; L579-C583 WeakPolarHBondContact O-CB 3.45Å; L579-C583 PolarHBondContact O-N 2.93Å; L579-C583 PolarHBondContact O-SG 3.37Å; I580-C583 PolarHBondContact O-N 3.33Å; N581-C583 PolarHBondContact O-N 3.24Å; C583-N586 PolarHBondContact O-N 3.25Å; C583-T587 PolarHBondContact O-N 3.35Å; C583-T587 PolarHBondContact O-OG1 2.95Å; C583-T587 VanDerWaalsContact O-OG1 3.1Å; C583-L605 HydrophobicContact CB-CD1 4.21Å
584	L	56.2	Low	52.9	Low	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.8	-45.9	-179.2	-69.2	173.6	0	0	0	111.9	I580 N581 N586 T587 L588 L602 L606 V647 W651	I580-L584 HydrophobicContact CG2-CD1 3.75Å; I580-L584 HydrophobicContact CG2-CG 4.23Å; I580-L584 VanDerWaalsContact O-CG 3.28Å; I580-L584 WeakPolarHBondContact O-CG 3.17Å; I580-L584 PolarHBondContact O-N 3.49Å; N581-L584 PolarHBondContact O-N 3.33Å; L584-N586 VanDerWaalsContact C-N 3.25Å; L584-N586 PolarHBondContact O-N 2.92Å; L584-T587 VanDerWaalsContact CA-OG1 3.31Å; L584-T587 WeakPolarHBondContact CA-OG1 3.18Å; L584-T587 PolarHBondContact O-N 3.24Å; L584-T587 PolarHBondContact O-OG1 3.48Å; L584-L588 PolarHBondContact O-N 3.48Å; L584-L602 HydrophobicContact CD2-CD2 3.23Å; L584-L602 HydrophobicContact CD2-CG 4.39Å; L584-L606 HydrophobicContact CD2-CD2 4.36Å; L584-V647 HydrophobicContact CD1-CG1 4.14Å; L584-W651 HydrophobicContact CB-CD2 3.91Å; L584-W651 HydrophobicContact CB-CE3 4.29Å; L584-W651 HydrophobicContact CB-CG 4.44Å; L584-W651 HydrophobicContact CB-CH2 3.92Å; L584-W651 HydrophobicContact CB-CZ2 3.57Å; L584-W651 HydrophobicContact CB-CZ3 4.25Å; L584-W651 HydrophobicContact CD1-CB 4.28Å; L584-W651 HydrophobicContact CD1-CD2 4.07Å; L584-W651 HydrophobicContact CD1-CG 3.72Å; L584-W651 HydrophobicContact CG-CD2 4.49Å; L584-W651 WeakPolarHBondContact O-CH2 3.48Å
585	L	57.2	Low	51.9	Low	86 Å²	86	60.3 Å²	60.3	45%	0.45	32%	0.322	S	S	.	.	H	α-helix	trans	-56	-42.4	174.2	-76.4	167	0	0	0	111.4	N581 W651	N581-L585 WeakPolarHBondContact O-CB 2.97Å; N581-L585 WeakPolarHBondContact O-CG 3.49Å; N581-L585 PolarHBondContact O-N 3.11Å; L585-W651 HydrophobicContact CB-CZ2 4.43Å; L585-W651 HydrophobicContact CD2-CH2 4.44Å; L585-W651 HydrophobicContact CD2-CZ2 3.86Å; L585-W651 HydrophobicContact CG-CZ2 3.9Å
586	N	50.7	Low	50.8	Low	22 Å²	22	66.1 Å²	66.1	12%	0.118	35%	0.352	C	S	.	.	H	α-helix	trans	-72.7	-34.2	-179.9	-72.8	-24.4	0	0	0	113.4	S523 S582 C583 L584 L589	S523-N586 PolarHBondContact OG-OD1 2.7Å; S582-N586 WeakPolarHBondContact O-CB 3.5Å; S582-N586 PolarHBondContact O-N 3.1Å; S582-N586 VanDerWaalsContact O-N 3.09Å; S582-N586 PolarHBondContact O-ND2 2.95Å; S582-N586 VanDerWaalsContact O-ND2 3.11Å; C583-N586 PolarHBondContact O-N 3.25Å; L584-N586 VanDerWaalsContact C-N 3.25Å; L584-N586 PolarHBondContact O-N 2.92Å; N586-L589 PolarHBondContact O-N 3.09Å
587	T	49.7	Very low	49.7	Very low	29 Å²	29	69.3 Å²	69.3	18%	0.178	37%	0.367	C	S	.	.	H	α-helix	trans	-66.5	-33.3	175.3	37.4	0	0	0	0	113.1	C583 L584 L589 L590	C583-T587 PolarHBondContact O-N 3.35Å; C583-T587 PolarHBondContact O-OG1 2.95Å; C583-T587 VanDerWaalsContact O-OG1 3.1Å; L584-T587 VanDerWaalsContact CA-OG1 3.31Å; L584-T587 WeakPolarHBondContact CA-OG1 3.18Å; L584-T587 PolarHBondContact O-N 3.24Å; L584-T587 PolarHBondContact O-OG1 3.48Å; T587-L589 VanDerWaalsContact C-N 3.28Å; T587-L589 PolarHBondContact O-N 2.91Å; T587-L590 PolarHBondContact O-N 3.27Å
588	L	43.5	Very low	48.8	Very low	125 Å²	125	71 Å²	71	65%	0.654	38%	0.375	S	S	*	.	H	α-helix	trans	-67.5	-27.3	175.7	-100.8	-178	0	0	0	113.3	L584 L590 W651	L584-L588 PolarHBondContact O-N 3.48Å; L588-L590 PolarHBondContact O-N 3.26Å; L588-W651 HydrophobicContact CB-CH2 4.28Å; L588-W651 HydrophobicContact CB-CZ3 4.45Å; L588-W651 HydrophobicContact CD1-CE3 4.33Å; L588-W651 HydrophobicContact CD1-CH2 3.38Å; L588-W651 HydrophobicContact CD1-CZ3 3.18Å; L588-W651 HydrophobicContact CG-CH2 3.92Å; L588-W651 HydrophobicContact CG-CZ3 3.63Å
589	L	38.4	Very low	47.8	Very low	118 Å²	118	71.1 Å²	71.1	62%	0.618	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-17.1	177.1	-79.3	158.2	0	0	0	112.7	N586 T587 D591	N586-L589 PolarHBondContact O-N 3.09Å; T587-L589 VanDerWaalsContact C-N 3.28Å; T587-L589 PolarHBondContact O-N 2.91Å; L589-D591 PolarHBondContact O-N 3.03Å
590	L	37.7	Very low	47	Very low	37 Å²	37	75.8 Å²	75.8	19%	0.194	40%	0.404	C	S	.	.			trans	-89.1	75.4	179.1	-70.9	162.2	0	0	0	110.2	P525 T587 L588 T592	P525-L590 HydrophobicContact CB-CD2 3.74Å; P525-L590 HydrophobicContact CB-CG 4.23Å; T587-L590 PolarHBondContact O-N 3.27Å; L588-L590 PolarHBondContact O-N 3.26Å; L590-T592 PolarHBondContact O-N 3.34Å
591	D	36.1	Very low	46.2	Very low	157 Å²	157	75.3 Å²	75.3	84%	0.84	40%	0.402	S	S	*	.			trans	-74.4	33.7	-179.4	-156.3	11.1	0	0	0	113.9	L589	L589-D591 PolarHBondContact O-N 3.03Å
592	T	38.8	Very low	45.5	Very low	97 Å²	97	75 Å²	75	60%	0.595	40%	0.4	S	S	*	.	S	Bend	trans	-135.9	94.7	-167	58.2	0	0	0	0	115.5	L590 D594	L590-T592 PolarHBondContact O-N 3.34Å; T592-D594 PolarHBondContact O-N 3.46Å
593	K	43.2	Very low	45.1	Very low	206 Å²	206	77.8 Å²	77.8	90%	0.896	41%	0.412	S	S	*	.	S	Bend	trans	61.5	-13.9	143.9	-79.9	-178.9	176.9	174.4	0	122.3	S595	K593-S595 PolarHBondContact O-N 3.44Å
594	D	42.7	Very low	44.8	Very low	120 Å²	120	80.2 Å²	80.2	64%	0.642	42%	0.42	S	S	*	.			trans	-102.5	43.4	179	-72.6	-25.8	0	0	0	113.6	T592 L596 Q597 E598	T592-D594 PolarHBondContact O-N 3.46Å; D594-L596 PolarHBondContact O-N 3.14Å; D594-Q597 PolarHBondContact O-N 2.98Å; D594-E598 PolarHBondContact O-N 3.3Å
595	S	44.1	Very low	44.4	Very low	81 Å²	81	80.9 Å²	80.9	57%	0.566	42%	0.423	S	S	*	.	H	α-helix	trans	-60.5	-18.9	-168.9	62.8	0	0	0	0	116.4	K593 T599	K593-S595 PolarHBondContact O-N 3.44Å; S595-T599 WeakPolarHBondContact O-CB 3.43Å; S595-T599 WeakPolarHBondContact O-CG2 3.34Å; S595-T599 PolarHBondContact O-N 2.87Å; S595-T599 PolarHBondContact O-OG1 2.68Å
596	L	40.2	Very low	43.9	Very low	140 Å²	140	77 Å²	77	73%	0.733	40%	0.403	S	S	*	.	H	α-helix	trans	-86.6	-22.1	-173.8	-126.6	142.6	0	0	0	113.4	D594 T599	D594-L596 PolarHBondContact O-N 3.14Å; L596-T599 VanDerWaalsContact CA-OG1 3.23Å; L596-T599 WeakPolarHBondContact CA-OG1 3.31Å; L596-T599 PolarHBondContact O-OG1 3.02Å
597	Q	40.5	Very low	43.9	Very low	75 Å²	75	78.7 Å²	78.7	35%	0.35	42%	0.416	S	S	.	.	H	α-helix	trans	-100	-31.9	176.9	-67	-170.2	-19.9	0	0	111.6	Y534 G538 D594 T599 D600 L601	Y534-Q597 HydrophobicContact CD1-CB 4.44Å; Y534-Q597 VanDerWaalsContact CD1-OE1 3.23Å; Y534-Q597 HydrophobicContact CE1-CB 3.82Å; Y534-Q597 HydrophobicContact CE1-CG 4.39Å; Y534-Q597 HydrophobicContact CE2-CB 4.07Å; Y534-Q597 PolarHBondContact OH-O 3.3Å; G538-Q597 PolarHBondContact O-NE2 3.36Å; G538-Q597 VanDerWaalsContact O-NE2 3.15Å; G538-Q597 PolarHBondContact O-OE1 2.74Å; D594-Q597 PolarHBondContact O-N 2.98Å; Q597-T599 PolarHBondContact O-N 2.95Å; Q597-D600 PolarHBondContact O-N 3.41Å; Q597-D600 VanDerWaalsContact O-N 3.09Å; Q597-L601 PolarHBondContact O-N 3.14Å
598	E	43.2	Very low	43.8	Very low	46 Å²	46	78.4 Å²	78.4	22%	0.215	42%	0.415	C	S	.	.	H	α-helix	trans	-61.8	-36.4	167.4	-71.6	177.4	163.5	0	0	111.4	D594 D600 L601 L602	D594-E598 PolarHBondContact O-N 3.3Å; E598-D600 VanDerWaalsContact C-N 3.34Å; E598-D600 PolarHBondContact O-N 3.15Å; E598-L601 PolarHBondContact O-N 2.99Å; E598-L602 VanDerWaalsContact O-CB 3.31Å; E598-L602 WeakPolarHBondContact O-CB 3.23Å; E598-L602 PolarHBondContact O-N 2.81Å
599	T	44.3	Very low	44.2	Very low	61 Å²	61	73.8 Å²	73.8	37%	0.374	40%	0.398	S	S	.	.	H	α-helix	trans	-58.9	-43.1	169.5	32	0	0	0	0	111	S595 L596 Q597 L601 L602 M603	S595-T599 WeakPolarHBondContact O-CB 3.43Å; S595-T599 WeakPolarHBondContact O-CG2 3.34Å; S595-T599 PolarHBondContact O-N 2.87Å; S595-T599 PolarHBondContact O-OG1 2.68Å; L596-T599 VanDerWaalsContact CA-OG1 3.23Å; L596-T599 WeakPolarHBondContact CA-OG1 3.31Å; L596-T599 PolarHBondContact O-OG1 3.02Å; Q597-T599 PolarHBondContact O-N 2.95Å; T599-L601 PolarHBondContact O-N 3.21Å; T599-L602 CarbonylContact O-C 3.5Å; T599-L602 PolarHBondContact O-N 2.81Å; T599-M603 WeakPolarHBondContact O-CA 3.31Å; T599-M603 WeakPolarHBondContact O-CB 3.39Å; T599-M603 WeakPolarHBondContact O-CG 3.31Å; T599-M603 PolarHBondContact O-N 3.35Å
600	D	43.6	Very low	44.8	Very low	107 Å²	107	72.6 Å²	72.6	57%	0.572	39%	0.392	S	S	*	.	H	α-helix	trans	-61.1	-41.4	177.8	-78.3	-22.4	0	0	0	113.2	Q597 E598 W604	Q597-D600 PolarHBondContact O-N 3.41Å; Q597-D600 VanDerWaalsContact O-N 3.09Å; E598-D600 VanDerWaalsContact C-N 3.34Å; E598-D600 PolarHBondContact O-N 3.15Å; D600-W604 WeakPolarHBondContact O-CB 3.4Å; D600-W604 PolarHBondContact O-N 3.4Å
601	L	46	Very low	45.6	Very low	9 Å²	9	71.7 Å²	71.7	5%	0.047	39%	0.387	C	S	.	.	H	α-helix	trans	-66.4	-43	176	-166.5	88.4	0	0	0	111.3	Q597 E598 T599 W604 L605	Q597-L601 PolarHBondContact O-N 3.14Å; E598-L601 PolarHBondContact O-N 2.99Å; T599-L601 PolarHBondContact O-N 3.21Å; L601-W604 PolarHBondContact O-N 2.91Å; L601-L605 HydrophobicContact CD2-CD1 4.17Å; L601-L605 HydrophobicContact CG-CD1 4.13Å; L601-L605 VanDerWaalsContact O-CB 3.31Å; L601-L605 WeakPolarHBondContact O-CB 3.31Å; L601-L605 WeakPolarHBondContact O-CG 3.2Å; L601-L605 PolarHBondContact O-N 3.48Å
602	L	46.5	Very low	46.5	Very low	28 Å²	28	64.8 Å²	64.8	15%	0.147	35%	0.35	C	S	.	.	H	α-helix	trans	-59.7	-64.9	171.9	-90.6	153.6	0	0	0	109.8	L584 E598 T599 W604 L605 L606 V654	L584-L602 HydrophobicContact CD2-CD2 3.23Å; L584-L602 HydrophobicContact CD2-CG 4.39Å; E598-L602 VanDerWaalsContact O-CB 3.31Å; E598-L602 WeakPolarHBondContact O-CB 3.23Å; E598-L602 PolarHBondContact O-N 2.81Å; T599-L602 CarbonylContact O-C 3.5Å; T599-L602 PolarHBondContact O-N 2.81Å; L602-W604 CarbonylContact O-C 3.56Å; L602-W604 PolarHBondContact O-N 2.93Å; L602-L605 CarbonylContact O-C 3.56Å; L602-L605 WeakPolarHBondContact O-CA 3.34Å; L602-L605 PolarHBondContact O-N 3.31Å; L602-L606 HydrophobicContact CB-CD1 4.06Å; L602-L606 HydrophobicContact CD2-CD1 4.13Å; L602-L606 HydrophobicContact CD2-CD2 4.4Å; L602-L606 HydrophobicContact CD2-CG 4.45Å; L602-L606 VanDerWaalsContact O-CB 3.27Å; L602-L606 WeakPolarHBondContact O-CB 3.46Å; L602-L606 WeakPolarHBondContact O-CD1 3.46Å; L602-L606 WeakPolarHBondContact O-CG 3.44Å; L602-L606 PolarHBondContact O-N 2.76Å; L602-V654 HydrophobicContact CD2-CG1 3.83Å
603	M	48.1	Very low	47.2	Very low	82 Å²	82	65.9 Å²	65.9	40%	0.404	35%	0.347	S	S	.	.	H	α-helix	trans	-44	-37.5	175.2	-59.8	-88.3	-48.7	0	0	112.4	T599 S607 N658	T599-M603 WeakPolarHBondContact O-CA 3.31Å; T599-M603 WeakPolarHBondContact O-CB 3.39Å; T599-M603 WeakPolarHBondContact O-CG 3.31Å; T599-M603 PolarHBondContact O-N 3.35Å; M603-S607 WeakPolarHBondContact O-CB 3.35Å; M603-S607 PolarHBondContact O-N 2.85Å; M603-S607 VanDerWaalsContact O-N 3.1Å; M603-N658 WeakPolarHBondContact CE-OD1 3.49Å; M603-N658 PolarHBondContact SD-ND2 3.12Å; M603-N658 PolarHBondContact SD-OD1 3.11Å
604	W	49.9	Very low	47.8	Very low	59 Å²	59	57 Å²	57	22%	0.223	31%	0.308	C	S	.	.	H	α-helix	trans	-73.3	-49.9	175.4	-173.9	98.9	0	0	0	113.1	C547 L550 K551 D600 L601 L602 L606 S607	C547-W604 VanDerWaalsContact CA-CZ3 3.46Å; C547-W604 HydrophobicContact CB-CD2 3.78Å; C547-W604 HydrophobicContact CB-CE3 3.37Å; C547-W604 HydrophobicContact CB-CH2 3.24Å; C547-W604 HydrophobicContact CB-CZ2 3.5Å; C547-W604 HydrophobicContact CB-CZ3 3.11Å; C547-W604 WeakPolarHBondContact O-CH2 3.21Å; C547-W604 WeakPolarHBondContact O-CZ2 3.27Å; C547-W604 WeakPolarHBondContact SG-CZ3 3.2Å; L550-W604 HydrophobicContact CB-CH2 4.15Å; K551-W604 HydrophobicContact CB-CH2 4.21Å; K551-W604 HydrophobicContact CB-CZ2 3.56Å; K551-W604 HydrophobicContact CD-CZ2 4.27Å; D600-W604 WeakPolarHBondContact O-CB 3.4Å; D600-W604 PolarHBondContact O-N 3.4Å; L601-W604 PolarHBondContact O-N 2.91Å; L602-W604 CarbonylContact O-C 3.56Å; L602-W604 PolarHBondContact O-N 2.93Å; W604-L606 PolarHBondContact O-N 2.84Å; W604-S607 PolarHBondContact O-N 3.06Å; W604-S607 PolarHBondContact O-OG 3.3Å
605	L	47.5	Very low	48.4	Very low	13 Å²	13	51.3 Å²	51.3	7%	0.068	28%	0.278	C	S	.	.	H	α-helix	trans	-60.2	-28.9	172.3	-82.9	161.6	0	0	0	112.2	I580 C583 L601 L602 P608	I580-L605 HydrophobicContact CB-CD2 4.42Å; I580-L605 HydrophobicContact CG1-CD2 3.74Å; I580-L605 HydrophobicContact CG2-CD2 4.4Å; C583-L605 HydrophobicContact CB-CD1 4.21Å; L601-L605 HydrophobicContact CD2-CD1 4.17Å; L601-L605 HydrophobicContact CG-CD1 4.13Å; L601-L605 VanDerWaalsContact O-CB 3.31Å; L601-L605 WeakPolarHBondContact O-CB 3.31Å; L601-L605 WeakPolarHBondContact O-CG 3.2Å; L601-L605 PolarHBondContact O-N 3.48Å; L602-L605 CarbonylContact O-C 3.56Å; L602-L605 WeakPolarHBondContact O-CA 3.34Å; L602-L605 PolarHBondContact O-N 3.31Å; L605-P608 VanDerWaalsContact O-CD 3.22Å; L605-P608 WeakPolarHBondContact O-CD 3.27Å; L605-P608 WeakPolarHBondContact O-CG 3.44Å
606	L	48.3	Very low	49	Very low	5 Å²	5	47.7 Å²	47.7	3%	0.026	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-3.2	179.1	-52	165.2	0	0	0	112.1	L584 L602 W604 P608 V654 F655 N658	L584-L606 HydrophobicContact CD2-CD2 4.36Å; L602-L606 HydrophobicContact CB-CD1 4.06Å; L602-L606 HydrophobicContact CD2-CD1 4.13Å; L602-L606 HydrophobicContact CD2-CD2 4.4Å; L602-L606 HydrophobicContact CD2-CG 4.45Å; L602-L606 VanDerWaalsContact O-CB 3.27Å; L602-L606 WeakPolarHBondContact O-CB 3.46Å; L602-L606 WeakPolarHBondContact O-CD1 3.46Å; L602-L606 WeakPolarHBondContact O-CG 3.44Å; L602-L606 PolarHBondContact O-N 2.76Å; W604-L606 PolarHBondContact O-N 2.84Å; L606-P608 VanDerWaalsContact O-CD 3.25Å; L606-P608 WeakPolarHBondContact O-CD 3.36Å; L606-V654 HydrophobicContact CD1-CG1 4.04Å; L606-F655 HydrophobicContact CB-CD1 3.68Å; L606-F655 HydrophobicContact CB-CE1 3.71Å; L606-F655 HydrophobicContact CD1-CD1 4.49Å; L606-F655 HydrophobicContact CD2-CD1 3.2Å; L606-F655 HydrophobicContact CD2-CD2 4.1Å; L606-F655 HydrophobicContact CD2-CE1 2.97Å; L606-F655 HydrophobicContact CD2-CE2 3.88Å; L606-F655 HydrophobicContact CD2-CG 3.75Å; L606-F655 HydrophobicContact CD2-CZ 3.29Å; L606-F655 HydrophobicContact CG-CD1 3.85Å; L606-F655 HydrophobicContact CG-CE1 3.8Å; L606-N658 HydrophobicContact CB-CB 4.5Å
607	S	49.1	Very low	49.9	Very low	57 Å²	57	42.3 Å²	42.3	40%	0.399	23%	0.231	S	C	.	.			trans	-99.5	38.7	168.2	78.5	0	0	0	0	116.4	M603 W604 G609	M603-S607 WeakPolarHBondContact O-CB 3.35Å; M603-S607 PolarHBondContact O-N 2.85Å; M603-S607 VanDerWaalsContact O-N 3.1Å; W604-S607 PolarHBondContact O-N 3.06Å; W604-S607 PolarHBondContact O-OG 3.3Å; S607-G609 PolarHBondContact O-N 3.03Å
608	P	49.4	Very low	50.9	Low	23 Å²	23	43.2 Å²	43.2	15%	0.149	24%	0.238	C	C	.	.			trans	-69.5	26	172.9	-3.7	18	0	0	0	113.1	L605 L606 D610 L611 L612	L605-P608 VanDerWaalsContact O-CD 3.22Å; L605-P608 WeakPolarHBondContact O-CD 3.27Å; L605-P608 WeakPolarHBondContact O-CG 3.44Å; L606-P608 VanDerWaalsContact O-CD 3.25Å; L606-P608 WeakPolarHBondContact O-CD 3.36Å; P608-D610 VanDerWaalsContact C-N 3.26Å; P608-D610 CarbonylContact O-C 3.47Å; P608-D610 PolarHBondContact O-N 3.19Å; P608-L611 HydrophobicContact CB-CB 4.23Å; P608-L611 WeakPolarHBondContact O-CA 3.33Å; P608-L611 PolarHBondContact O-N 2.99Å; P608-L612 HydrophobicContact CB-CB 4.32Å; P608-L612 HydrophobicContact CB-CD1 3.94Å; P608-L612 HydrophobicContact CB-CG 3.85Å; P608-L612 HydrophobicContact CG-CD1 3.53Å; P608-L612 HydrophobicContact CG-CG 3.91Å; P608-L612 PolarHBondContact O-N 2.81Å
609	G	50.8	Low	51.8	Low	29 Å²	29	41.2 Å²	41.2	30%	0.299	23%	0.229	S	C	.	.	H	α-helix	trans	-27.2	-58.8	-169.1	0	0	0	0	0	113.7	S607 K613	S607-G609 PolarHBondContact O-N 3.03Å; G609-K613 WeakPolarHBondContact O-CA 3.48Å; G609-K613 WeakPolarHBondContact O-CB 3.05Å; G609-K613 PolarHBondContact O-N 3.2Å
610	D	52.1	Low	52.6	Low	93 Å²	93	40 Å²	40	50%	0.497	22%	0.22	S	C	.	.	H	α-helix	trans	-74.1	-37.8	-178.2	-63.1	-39.8	0	0	0	114.7	C555 I559 P608 K613 F614	C555-D610 HydrophobicContact CB-CB 4.18Å; I559-D610 HydrophobicContact CD1-CB 4.46Å; P608-D610 VanDerWaalsContact C-N 3.26Å; P608-D610 CarbonylContact O-C 3.47Å; P608-D610 PolarHBondContact O-N 3.19Å; D610-K613 PolarHBondContact O-N 2.78Å; D610-F614 VanDerWaalsContact O-CB 3.3Å; D610-F614 WeakPolarHBondContact O-CB 3.44Å; D610-F614 PolarHBondContact O-N 2.86Å
611	L	53	Low	53.7	Low	17 Å²	17	38.3 Å²	38.3	9%	0.089	22%	0.217	C	C	.	.	H	α-helix	trans	-67.4	-53.5	176.8	-167.9	141.2	0	0	0	110.6	C554 P608 K613 F614 F615	C554-L611 HydrophobicContact CB-CD1 3.85Å; P608-L611 HydrophobicContact CB-CB 4.23Å; P608-L611 WeakPolarHBondContact O-CA 3.33Å; P608-L611 PolarHBondContact O-N 2.99Å; L611-K613 VanDerWaalsContact C-N 3.3Å; L611-K613 PolarHBondContact O-N 2.97Å; L611-F614 WeakPolarHBondContact O-CB 3.47Å; L611-F614 PolarHBondContact O-N 2.85Å; L611-F614 VanDerWaalsContact O-N 3.15Å; L611-F615 HydrophobicContact CD2-CD2 3.96Å; L611-F615 HydrophobicContact CD2-CE2 4.19Å; L611-F615 HydrophobicContact CG-CD2 4.28Å; L611-F615 HydrophobicContact CG-CE2 4.32Å; L611-F615 VanDerWaalsContact O-CD2 3.25Å; L611-F615 WeakPolarHBondContact O-CD2 3.48Å; L611-F615 PolarHBondContact O-N 3.07Å
612	L	54.6	Low	54.6	Low	13 Å²	13	38.6 Å²	38.6	7%	0.068	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-33	174.8	-84.1	173.7	0	0	0	111.4	P608 F614 F615 A616 M644 M663 L667	P608-L612 HydrophobicContact CB-CB 4.32Å; P608-L612 HydrophobicContact CB-CD1 3.94Å; P608-L612 HydrophobicContact CB-CG 3.85Å; P608-L612 HydrophobicContact CG-CD1 3.53Å; P608-L612 HydrophobicContact CG-CG 3.91Å; P608-L612 PolarHBondContact O-N 2.81Å; L612-F614 VanDerWaalsContact C-N 3.34Å; L612-F615 CarbonylContact O-C 3.46Å; L612-F615 PolarHBondContact O-N 3.2Å; L612-A616 WeakPolarHBondContact O-CA 3.33Å; L612-A616 WeakPolarHBondContact O-CB 3.36Å; L612-A616 PolarHBondContact O-N 3.15Å; L612-M644 HydrophobicContact CD2-CE 4.26Å; L612-M644 HydrophobicContact CD2-CG 3.49Å; L612-M644 VanDerWaalsContact CD2-CG 3.49Å; L612-M644 HydrophobicContact CD2-SD 3.41Å; L612-M644 WeakPolarHBondContact CD2-SD 3.34Å; L612-M663 HydrophobicContact CB-CE 2.9Å; L612-M663 HydrophobicContact CD1-CE 3.38Å; L612-M663 HydrophobicContact CG-CE 3.76Å; L612-L667 HydrophobicContact CD2-CD2 4.34Å
613	K	54.4	Low	55.4	Low	120 Å²	120	37.5 Å²	37.5	52%	0.522	21%	0.212	S	C	.	.	H	α-helix	trans	-67.3	-34.7	172.8	179.4	-179.1	-179.7	-175	0	111.9	G609 D610 L611 G617	G609-K613 WeakPolarHBondContact O-CA 3.48Å; G609-K613 WeakPolarHBondContact O-CB 3.05Å; G609-K613 PolarHBondContact O-N 3.2Å; D610-K613 PolarHBondContact O-N 2.78Å; L611-K613 VanDerWaalsContact C-N 3.3Å; L611-K613 PolarHBondContact O-N 2.97Å; K613-G617 VanDerWaalsContact O-CA 3.23Å; K613-G617 WeakPolarHBondContact O-CA 3.34Å; K613-G617 PolarHBondContact O-N 3.02Å
614	F	55.4	Low	56.3	Low	19 Å²	19	36.1 Å²	36.1	8%	0.083	21%	0.206	C	C	.	.	H	α-helix	trans	-63.5	-50.4	171.7	176.9	-91	0	0	0	110.5	I559 F569 D610 L611 L612 A616 N618 W619	I559-F614 HydrophobicContact CG1-CD2 4.35Å; I559-F614 HydrophobicContact CG2-CD2 4.46Å; F569-F614 AromaticContact CE1-CE1 3.82Å; F569-F614 HydrophobicContact CE1-CE1 3.82Å; F569-F614 HydrophobicContact CE1-CZ 4.33Å; F569-F614 HydrophobicContact CZ-CD1 4.28Å; F569-F614 AromaticContact CZ-CE1 3.7Å; F569-F614 HydrophobicContact CZ-CE1 3.7Å; F569-F614 HydrophobicContact CZ-CZ 4.36Å; D610-F614 VanDerWaalsContact O-CB 3.3Å; D610-F614 WeakPolarHBondContact O-CB 3.44Å; D610-F614 PolarHBondContact O-N 2.86Å; L611-F614 WeakPolarHBondContact O-CB 3.47Å; L611-F614 PolarHBondContact O-N 2.85Å; L611-F614 VanDerWaalsContact O-N 3.15Å; L612-F614 VanDerWaalsContact C-N 3.34Å; F614-A616 PolarHBondContact O-N 3.14Å; F614-N618 PolarHBondContact O-N 2.6Å; F614-W619 PolarHBondContact O-N 2.92Å
615	F	56.3	Low	57.1	Low	1 Å²	1	35.9 Å²	35.9	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-74.5	-20.8	-179.6	-80.6	-81.6	0	0	0	115.1	F569 V573 L611 L612 W619 Y637 T640 V641 M644	F569-F615 AromaticContact CE1-CZ 3.87Å; F569-F615 HydrophobicContact CE1-CZ 3.87Å; F569-F615 HydrophobicContact CE2-CZ 4.44Å; F569-F615 AromaticContact CZ-CE2 3.88Å; F569-F615 HydrophobicContact CZ-CE2 3.88Å; F569-F615 AromaticContact CZ-CZ 3.59Å; F569-F615 HydrophobicContact CZ-CZ 3.59Å; V573-F615 HydrophobicContact CB-CE2 4.16Å; V573-F615 HydrophobicContact CB-CZ 3.77Å; V573-F615 HydrophobicContact CG1-CD2 4.23Å; V573-F615 HydrophobicContact CG1-CE1 3.88Å; V573-F615 HydrophobicContact CG1-CE2 3.51Å; V573-F615 HydrophobicContact CG1-CZ 3.35Å; V573-F615 HydrophobicContact CG2-CE2 3.63Å; V573-F615 HydrophobicContact CG2-CZ 3.4Å; V573-F615 VanDerWaalsContact CG2-CZ 3.4Å; L611-F615 HydrophobicContact CD2-CD2 3.96Å; L611-F615 HydrophobicContact CD2-CE2 4.19Å; L611-F615 HydrophobicContact CG-CD2 4.28Å; L611-F615 HydrophobicContact CG-CE2 4.32Å; L611-F615 VanDerWaalsContact O-CD2 3.25Å; L611-F615 WeakPolarHBondContact O-CD2 3.48Å; L611-F615 PolarHBondContact O-N 3.07Å; L612-F615 CarbonylContact O-C 3.46Å; L612-F615 PolarHBondContact O-N 3.2Å; F615-W619 WeakPolarHBondContact O-CB 3.38Å; F615-Y637 AromaticContact CD1-CE2 3.79Å; F615-Y637 HydrophobicContact CD1-CE2 3.79Å; F615-Y637 AromaticContact CD1-CZ 3.79Å; F615-Y637 WeakPolarHBondContact CD1-OH 3.09Å; F615-Y637 HydrophobicContact CE1-CD2 4.01Å; F615-Y637 AromaticContact CE1-CE2 3.2Å; F615-Y637 HydrophobicContact CE1-CE2 3.2Å; F615-Y637 AromaticContact CE1-CZ 3.72Å; F615-Y637 HydrophobicContact CZ-CE2 4.08Å; F615-T640 HydrophobicContact CE1-CG2 4.43Å; F615-V641 HydrophobicContact CD1-CG2 4.44Å; F615-M644 HydrophobicContact CB-CE 3.72Å; F615-M644 HydrophobicContact CB-SD 3.42Å; F615-M644 WeakPolarHBondContact CB-SD 3.5Å; F615-M644 HydrophobicContact CG-SD 4.1Å
616	A	57	Low	57.9	Low	4 Å²	4	35.8 Å²	35.8	3%	0.033	21%	0.213	C	C	.	.	H	α-helix	trans	-102	-25.4	178.6	0	0	0	0	0	111.5	L612 F614 W619 M644 Y666 L667	L612-A616 WeakPolarHBondContact O-CA 3.33Å; L612-A616 WeakPolarHBondContact O-CB 3.36Å; L612-A616 PolarHBondContact O-N 3.15Å; F614-A616 PolarHBondContact O-N 3.14Å; A616-W619 VanDerWaalsContact C-CD1 3.44Å; A616-W619 VanDerWaalsContact O-CD1 3.23Å; A616-W619 PolarHBondContact O-NE1 2.75Å; A616-M644 HydrophobicContact CB-CE 4.46Å; A616-Y666 HydrophobicContact CB-CG 4.34Å; A616-L667 HydrophobicContact CB-CD2 4.25Å
617	G	57.2	Low	58.6	Low	28 Å²	28	36.4 Å²	36.4	29%	0.289	22%	0.216	S	C	.	.	H	α-helix	trans	-94.9	-41.1	-178.8	0	0	0	0	0	115.2	K613	K613-G617 VanDerWaalsContact O-CA 3.23Å; K613-G617 WeakPolarHBondContact O-CA 3.34Å; K613-G617 PolarHBondContact O-N 3.02Å
618	N	61.7	Low	59.2	Low	93 Å²	93	39.3 Å²	39.3	50%	0.497	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-8.6	-173.1	-76	-8.3	0	0	0	114.5	F614 I620 S621 F622	F614-N618 PolarHBondContact O-N 2.6Å; N618-I620 PolarHBondContact O-N 3.44Å; N618-I620 VanDerWaalsContact O-N 3.11Å; N618-S621 PolarHBondContact O-N 3.22Å; N618-S621 PolarHBondContact O-OG 3.47Å; N618-F622 PolarHBondContact O-N 2.87Å
619	W	62.2	Low	59.8	Low	5 Å²	5	43.5 Å²	43.5	2%	0.019	25%	0.252	C	S	.	.	H	α-helix	trans	-55	-34.3	-176	72.5	-83.4	0	0	0	113.6	F614 F615 A616 F622 V623 Y637 V641 E673 L674	F614-W619 PolarHBondContact O-N 2.92Å; F615-W619 WeakPolarHBondContact O-CB 3.38Å; A616-W619 VanDerWaalsContact C-CD1 3.44Å; A616-W619 VanDerWaalsContact O-CD1 3.23Å; A616-W619 PolarHBondContact O-NE1 2.75Å; W619-F622 WeakPolarHBondContact O-CB 3.33Å; W619-F622 PolarHBondContact O-N 3.17Å; W619-F622 VanDerWaalsContact O-N 3.17Å; W619-V623 HydrophobicContact CE3-CG2 3.86Å; W619-V623 HydrophobicContact CZ3-CG2 4.26Å; W619-V623 WeakPolarHBondContact O-CB 3.49Å; W619-V623 WeakPolarHBondContact O-CG2 3.45Å; W619-V623 PolarHBondContact O-N 3.44Å; W619-Y637 WeakPolarHBondContact CA-OH 3.28Å; W619-Y637 HydrophobicContact CB-CE1 3.67Å; W619-Y637 VanDerWaalsContact CB-OH 3.27Å; W619-Y637 WeakPolarHBondContact CB-OH 3.06Å; W619-V641 HydrophobicContact CB-CG2 4.24Å; W619-V641 HydrophobicContact CD2-CG1 4.29Å; W619-V641 HydrophobicContact CD2-CG2 4.43Å; W619-V641 HydrophobicContact CE3-CG1 4.33Å; W619-V641 HydrophobicContact CE3-CG2 4.33Å; W619-V641 HydrophobicContact CG-CG2 4.45Å; W619-E673 HydrophobicContact CH2-CB 4.36Å; W619-E673 HydrophobicContact CZ2-CB 3.92Å; W619-L674 HydrophobicContact CH2-CD2 3.62Å; W619-L674 HydrophobicContact CH2-CG 3.84Å; W619-L674 HydrophobicContact CZ3-CD2 3.75Å; W619-L674 HydrophobicContact CZ3-CG 4.44Å
620	I	62.4	Low	60.6	Low	34 Å²	34	45.4 Å²	45.4	17%	0.174	25%	0.254	C	S	.	.	H	α-helix	trans	-59.3	-50.2	176.8	-68.8	165.9	0	0	0	111.2	N618 F622 V623 D624 E673 R677	N618-I620 PolarHBondContact O-N 3.44Å; N618-I620 VanDerWaalsContact O-N 3.11Å; I620-F622 PolarHBondContact O-N 2.61Å; I620-V623 PolarHBondContact O-N 3.2Å; I620-D624 WeakPolarHBondContact O-CB 3.42Å; I620-D624 VanDerWaalsContact O-CG 3.3Å; I620-D624 PolarHBondContact O-N 2.69Å; I620-E673 HydrophobicContact CD1-CB 4.43Å; I620-E673 HydrophobicContact CD1-CG 4.31Å; I620-R677 VanDerWaalsContact CG2-NH2 3.31Å
621	S	65.5	Low	61.4	Low	73 Å²	73	41.6 Å²	41.6	51%	0.51	23%	0.234	S	C	.	.	H	α-helix	trans	-63.7	-29.6	179.6	66.8	0	0	0	0	111.8	N618 S625	N618-S621 PolarHBondContact O-N 3.22Å; N618-S621 PolarHBondContact O-OG 3.47Å; S621-S625 PolarHBondContact O-N 3.2Å; S621-S625 VanDerWaalsContact O-N 3.15Å
622	F	64.4	Low	62	Low	14 Å²	14	42 Å²	42	6%	0.061	24%	0.238	C	C	.	.	H	α-helix	trans	-77.8	-47.1	-179.4	-166.2	-113.5	0	0	0	112	Q562 T566 N618 W619 I620 D624 S625 L626 Y637	Q562-F622 HydrophobicContact CG-CE2 4.3Å; T566-F622 HydrophobicContact CG2-CE1 4.3Å; T566-F622 HydrophobicContact CG2-CE2 4.27Å; T566-F622 HydrophobicContact CG2-CZ 3.44Å; T566-F622 VanDerWaalsContact CG2-CZ 3.44Å; N618-F622 PolarHBondContact O-N 2.87Å; W619-F622 WeakPolarHBondContact O-CB 3.33Å; W619-F622 PolarHBondContact O-N 3.17Å; W619-F622 VanDerWaalsContact O-N 3.17Å; I620-F622 PolarHBondContact O-N 2.61Å; F622-D624 VanDerWaalsContact C-N 3.29Å; F622-D624 PolarHBondContact O-N 2.94Å; F622-S625 PolarHBondContact O-N 3.16Å; F622-S625 PolarHBondContact O-OG 3.19Å; F622-L626 HydrophobicContact CD1-CD1 3.6Å; F622-L626 HydrophobicContact CD1-CG 4.24Å; F622-L626 HydrophobicContact CE1-CD1 3.31Å; F622-L626 HydrophobicContact CE1-CG 4.08Å; F622-L626 HydrophobicContact CG-CD1 4.41Å; F622-L626 HydrophobicContact CZ-CD1 3.87Å; F622-L626 HydrophobicContact CZ-CD2 4.38Å; F622-L626 HydrophobicContact CZ-CG 4.25Å; F622-L626 WeakPolarHBondContact O-CG 3.32Å; F622-L626 PolarHBondContact O-N 2.86Å; F622-Y637 HydrophobicContact CB-CE1 4.39Å; F622-Y637 AromaticContact CD1-CD1 3.95Å; F622-Y637 HydrophobicContact CD1-CD1 3.95Å; F622-Y637 AromaticContact CD1-CD2 3.8Å; F622-Y637 HydrophobicContact CD1-CD2 3.8Å; F622-Y637 AromaticContact CD1-CE1 3.68Å; F622-Y637 HydrophobicContact CD1-CE1 3.68Å; F622-Y637 AromaticContact CD1-CE2 3.51Å; F622-Y637 HydrophobicContact CD1-CE2 3.51Å; F622-Y637 HydrophobicContact CD1-CG 4Å; F622-Y637 AromaticContact CD1-CZ 3.5Å; F622-Y637 VanDerWaalsContact CD1-CZ 3.5Å; F622-Y637 AromaticContact CE1-CD2 3.69Å; F622-Y637 HydrophobicContact CE1-CD2 3.69Å; F622-Y637 AromaticContact CE1-CE2 3.67Å; F622-Y637 HydrophobicContact CE1-CE2 3.67Å; F622-Y637 HydrophobicContact CE1-CG 4.16Å
623	V	64.3	Low	62.6	Low	6 Å²	6	41.8 Å²	41.8	4%	0.036	24%	0.237	C	C	.	.	H	α-helix	trans	-53	-50	169.7	165.6	0	0	0	0	109.8	W619 I620 S625 L626 I627 Y637 I638	W619-V623 HydrophobicContact CE3-CG2 3.86Å; W619-V623 HydrophobicContact CZ3-CG2 4.26Å; W619-V623 WeakPolarHBondContact O-CB 3.49Å; W619-V623 WeakPolarHBondContact O-CG2 3.45Å; W619-V623 PolarHBondContact O-N 3.44Å; I620-V623 PolarHBondContact O-N 3.2Å; V623-S625 PolarHBondContact O-N 3.26Å; V623-L626 PolarHBondContact O-N 3.39Å; V623-I627 HydrophobicContact CG1-CD1 3.72Å; V623-I627 HydrophobicContact CG1-CG1 4.16Å; V623-I627 VanDerWaalsContact O-CG1 3.23Å; V623-I627 WeakPolarHBondContact O-CG1 3.26Å; V623-I627 PolarHBondContact O-N 3.33Å; V623-Y637 HydrophobicContact CG2-CD1 3.69Å; V623-Y637 HydrophobicContact CG2-CE1 3.95Å; V623-I638 HydrophobicContact CG1-CD1 4.38Å; V623-I638 HydrophobicContact CG2-CG1 4Å
624	D	66.7	Low	63.4	Low	52 Å²	52	36.1 Å²	36.1	28%	0.278	21%	0.212	S	C	.	.	H	α-helix	trans	-58.3	-33.9	178.3	-76	-18.3	0	0	0	112.9	I620 F622 K680	I620-D624 WeakPolarHBondContact O-CB 3.42Å; I620-D624 VanDerWaalsContact O-CG 3.3Å; I620-D624 PolarHBondContact O-N 2.69Å; F622-D624 VanDerWaalsContact C-N 3.29Å; F622-D624 PolarHBondContact O-N 2.94Å; D624-K680 VanDerWaalsContact OD1-CD 3.32Å; D624-K680 WeakPolarHBondContact OD1-CD 3.43Å; D624-K680 IonicContact OD1-NZ 3.41Å; D624-K680 PolarHBondContact OD1-NZ 3.4Å; D624-K680 IonicContact OD2-NZ 3.97Å; D624-K680 PolarHBondContact OD2-NZ 3.08Å
625	S	66.3	Low	64.4	Low	55 Å²	55	35.2 Å²	35.2	39%	0.385	21%	0.208	S	C	.	.	H	α-helix	trans	-78.1	-31.5	176.2	74.1	0	0	0	0	114	S621 F622 V623 N629	S621-S625 PolarHBondContact O-N 3.2Å; S621-S625 VanDerWaalsContact O-N 3.15Å; F622-S625 PolarHBondContact O-N 3.16Å; F622-S625 PolarHBondContact O-OG 3.19Å; V623-S625 PolarHBondContact O-N 3.26Å; S625-N629 PolarHBondContact O-ND2 3.1Å
626	L	65.1	Low	65.1	Low	10 Å²	10	36.9 Å²	36.9	5%	0.052	22%	0.216	C	C	.	.	H	α-helix	trans	-82.3	-34	-177.7	-72.6	-179.6	0	0	0	112.4	F622 V623 V628 N629 E630 L633 C634	F622-L626 HydrophobicContact CD1-CD1 3.6Å; F622-L626 HydrophobicContact CD1-CG 4.24Å; F622-L626 HydrophobicContact CE1-CD1 3.31Å; F622-L626 HydrophobicContact CE1-CG 4.08Å; F622-L626 HydrophobicContact CG-CD1 4.41Å; F622-L626 HydrophobicContact CZ-CD1 3.87Å; F622-L626 HydrophobicContact CZ-CD2 4.38Å; F622-L626 HydrophobicContact CZ-CG 4.25Å; F622-L626 WeakPolarHBondContact O-CG 3.32Å; F622-L626 PolarHBondContact O-N 2.86Å; V623-L626 PolarHBondContact O-N 3.39Å; L626-V628 PolarHBondContact O-N 3.34Å; L626-N629 PolarHBondContact O-N 2.95Å; L626-E630 HydrophobicContact CD2-CB 4.32Å; L626-E630 CarbonylContact O-C 3.59Å; L626-E630 PolarHBondContact O-N 3.31Å; L626-L633 HydrophobicContact CD1-CD2 4.27Å; L626-L633 HydrophobicContact CD1-CG 4.33Å; L626-L633 HydrophobicContact CD2-CD2 3.98Å; L626-C634 HydrophobicContact CB-CB 3.7Å
627	I	63.8	Low	65.8	Low	18 Å²	18	36.8 Å²	36.8	9%	0.092	22%	0.215	C	C	.	.	H	α-helix	trans	-50.3	-36.5	178.3	-71.8	167.5	0	0	0	111.6	V623 K680 L684	V623-I627 HydrophobicContact CG1-CD1 3.72Å; V623-I627 HydrophobicContact CG1-CG1 4.16Å; V623-I627 VanDerWaalsContact O-CG1 3.23Å; V623-I627 WeakPolarHBondContact O-CG1 3.26Å; V623-I627 PolarHBondContact O-N 3.33Å; I627-K680 HydrophobicContact CD1-CB 4.14Å; I627-L684 HydrophobicContact CB-CD1 4.45Å; I627-L684 HydrophobicContact CG1-CB 4.14Å; I627-L684 HydrophobicContact CG1-CD1 4.07Å; I627-L684 HydrophobicContact CG1-CD2 4.37Å; I627-L684 HydrophobicContact CG1-CG 4.42Å; I627-L684 HydrophobicContact CG2-CB 4.36Å; I627-L684 HydrophobicContact CG2-CD1 4.47Å
628	V	60	Low	66.8	Low	119 Å²	119	35.5 Å²	35.5	72%	0.721	20%	0.202	S	C	*	.	H	α-helix	trans	-82	-32.1	-176.9	-176.4	0	0	0	0	112.8	L626	L626-V628 PolarHBondContact O-N 3.34Å
629	N	63.1	Low	67.6	Low	110 Å²	110	31.4 Å²	31.4	59%	0.588	18%	0.18	S	C	*	.	H	α-helix	trans	-110.9	-35.4	-166	-60.9	-52.9	0	0	0	113.7	S625 L626	S625-N629 PolarHBondContact O-ND2 3.1Å; L626-N629 PolarHBondContact O-N 2.95Å
630	E	68.2	Low	68	Low	69 Å²	69	31.2 Å²	31.2	32%	0.322	18%	0.18	S	C	.	.			trans	-147.6	79.4	-173	-64.9	-177.7	176.6	0	0	110.1	L626 S632 L633 C634	L626-E630 HydrophobicContact CD2-CB 4.32Å; L626-E630 CarbonylContact O-C 3.59Å; L626-E630 PolarHBondContact O-N 3.31Å; E630-S632 PolarHBondContact O-N 2.91Å; E630-L633 HydrophobicContact CB-CB 3.92Å; E630-L633 PolarHBondContact O-N 2.91Å; E630-L633 WeakPolarHBondContact OE2-CD2 3.27Å; E630-C634 PolarHBondContact O-N 2.57Å
631	P	67.3	Low	68.6	Low	13 Å²	13	29.6 Å²	29.6	8%	0.084	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-44.8	-175	-19.9	29.5	0	0	0	113.1	L633 C634 I635 L684 V687 A688 D691	P631-L633 PolarHBondContact O-N 2.83Å; P631-C634 WeakPolarHBondContact O-CA 3.48Å; P631-C634 VanDerWaalsContact O-CB 3.26Å; P631-C634 WeakPolarHBondContact O-CB 3.31Å; P631-C634 PolarHBondContact O-N 3.38Å; P631-C634 VanDerWaalsContact O-N 3.15Å; P631-I635 WeakPolarHBondContact O-CG1 3.3Å; P631-I635 PolarHBondContact O-N 3.11Å; P631-L684 HydrophobicContact CB-CD1 3.83Å; P631-V687 HydrophobicContact CB-CG1 4.29Å; P631-V687 HydrophobicContact CG-CG1 3.66Å; P631-A688 HydrophobicContact CB-CB 4.37Å; P631-D691 HydrophobicContact CB-CB 4.47Å; P631-D691 WeakPolarHBondContact CD-OD2 3.42Å; P631-D691 HydrophobicContact CG-CB 4.22Å; P631-D691 WeakPolarHBondContact CG-OD2 3.19Å
632	S	66.3	Low	69.2	Low	26 Å²	26	26.1 Å²	26.1	18%	0.182	15%	0.147	C	C	.	.	H	α-helix	trans	-60.8	-43.9	177.9	45.9	0	0	0	0	112.8	E630 C634 I635 E636 S693	E630-S632 PolarHBondContact O-N 2.91Å; S632-C634 VanDerWaalsContact C-N 3.3Å; S632-C634 PolarHBondContact O-N 3.47Å; S632-I635 PolarHBondContact O-N 3.46Å; S632-E636 PolarHBondContact O-N 2.89Å; S632-S693 WeakPolarHBondContact CB-OG 3.48Å; S632-S693 PolarHBondContact OG-OG 3.33Å
633	L	67.5	Low	69.7	Low	9 Å²	9	28.9 Å²	28.9	5%	0.047	16%	0.159	C	C	.	.	H	α-helix	trans	-65.9	-36.5	175	-168.8	71.4	0	0	0	111.5	T566 R567 V570 L626 E630 P631 I635 E636 Y637	T566-L633 VanDerWaalsContact CB-CD2 3.48Å; T566-L633 HydrophobicContact CG2-CD2 3.38Å; R567-L633 HydrophobicContact CB-CD1 4.34Å; R567-L633 HydrophobicContact CG-CD1 4.49Å; V570-L633 HydrophobicContact CB-CD1 4Å; V570-L633 HydrophobicContact CG1-CD1 4.43Å; V570-L633 HydrophobicContact CG2-CD1 3.73Å; V570-L633 HydrophobicContact CG2-CG 4.19Å; L626-L633 HydrophobicContact CD1-CD2 4.27Å; L626-L633 HydrophobicContact CD1-CG 4.33Å; L626-L633 HydrophobicContact CD2-CD2 3.98Å; E630-L633 HydrophobicContact CB-CB 3.92Å; E630-L633 PolarHBondContact O-N 2.91Å; E630-L633 WeakPolarHBondContact OE2-CD2 3.27Å; P631-L633 PolarHBondContact O-N 2.83Å; L633-I635 VanDerWaalsContact C-N 3.3Å; L633-I635 PolarHBondContact O-N 2.86Å; L633-E636 PolarHBondContact O-N 3.01Å; L633-Y637 VanDerWaalsContact O-CB 3.28Å; L633-Y637 WeakPolarHBondContact O-CB 3.47Å; L633-Y637 PolarHBondContact O-N 3.28Å
634	C	71.7	Confident	70.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.7	-43.1	173.4	-166.9	0	0	0	0	111.4	L626 E630 P631 S632 Y637 I638 L684	L626-C634 HydrophobicContact CB-CB 3.7Å; E630-C634 PolarHBondContact O-N 2.57Å; P631-C634 WeakPolarHBondContact O-CA 3.48Å; P631-C634 VanDerWaalsContact O-CB 3.26Å; P631-C634 WeakPolarHBondContact O-CB 3.31Å; P631-C634 PolarHBondContact O-N 3.38Å; P631-C634 VanDerWaalsContact O-N 3.15Å; S632-C634 VanDerWaalsContact C-N 3.3Å; S632-C634 PolarHBondContact O-N 3.47Å; C634-Y637 PolarHBondContact O-N 2.81Å; C634-I638 VanDerWaalsContact O-CG1 3.25Å; C634-I638 WeakPolarHBondContact O-CG1 3.18Å; C634-I638 PolarHBondContact O-N 3.22Å; C634-L684 HydrophobicContact CB-CD1 3.89Å; C634-L684 HydrophobicContact CB-CD2 4.11Å
635	I	74.5	Confident	70.6	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.9	-45.9	177.3	-66.6	165.2	0	0	0	110.9	P631 S632 L633 Y637 I638 C639 L684 A688 A694 H697 L698 L701	P631-I635 WeakPolarHBondContact O-CG1 3.3Å; P631-I635 PolarHBondContact O-N 3.11Å; S632-I635 PolarHBondContact O-N 3.46Å; L633-I635 VanDerWaalsContact C-N 3.3Å; L633-I635 PolarHBondContact O-N 2.86Å; I635-Y637 VanDerWaalsContact C-N 3.27Å; I635-Y637 PolarHBondContact O-N 3.45Å; I635-I638 PolarHBondContact O-N 3Å; I635-C639 WeakPolarHBondContact O-CB 3.48Å; I635-C639 PolarHBondContact O-N 3.26Å; I635-L684 HydrophobicContact CG1-CD2 3.92Å; I635-L684 HydrophobicContact CG1-CG 4.24Å; I635-A688 HydrophobicContact CD1-CB 3.72Å; I635-A694 HydrophobicContact CD1-CB 3.52Å; I635-H697 HydrophobicContact CB-CB 3.97Å; I635-H697 VanDerWaalsContact CG2-C 3.48Å; I635-H697 HydrophobicContact CG2-CB 3.55Å; I635-H697 WeakPolarHBondContact CG2-O 2.86Å; I635-L698 HydrophobicContact CD1-CD2 4.01Å; I635-L698 HydrophobicContact CD1-CG 4.11Å; I635-L701 HydrophobicContact CG2-CB 3.92Å; I635-L701 HydrophobicContact CG2-CD1 4.35Å; I635-L701 HydrophobicContact CG2-CD2 3.97Å; I635-L701 HydrophobicContact CG2-CG 4.28Å
636	E	71.8	Confident	71	Confident	37 Å²	37	24 Å²	24	17%	0.173	13%	0.128	C	C	.	.	H	α-helix	trans	-58.7	-43.3	176.7	-161.4	-178.1	164.8	0	0	110.8	V570 S632 L633 C639 T640 H697	V570-E636 HydrophobicContact CG1-CB 4.01Å; V570-E636 HydrophobicContact CG1-CG 3.63Å; S632-E636 PolarHBondContact O-N 2.89Å; L633-E636 PolarHBondContact O-N 3.01Å; E636-C639 WeakPolarHBondContact O-CB 3.4Å; E636-C639 PolarHBondContact O-N 3.15Å; E636-T640 PolarHBondContact O-N 3.17Å; E636-T640 PolarHBondContact O-OG1 3.33Å; E636-H697 IonicContact OE2-CE1 2.81Å; E636-H697 PolarHBondContact OE2-CE1 2.72Å; E636-H697 IonicContact OE2-ND1 2.7Å
637	Y	72.4	Confident	71.2	Confident	1 Å²	1	24 Å²	24	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-64.5	-42.4	177.2	-172.8	-97.8	0	0	0	112.9	V570 F615 W619 F622 V623 L633 C634 I635 C639 T640 V641	V570-Y637 HydrophobicContact CG2-CD2 4.08Å; F615-Y637 AromaticContact CD1-CE2 3.79Å; F615-Y637 HydrophobicContact CD1-CE2 3.79Å; F615-Y637 AromaticContact CD1-CZ 3.79Å; F615-Y637 WeakPolarHBondContact CD1-OH 3.09Å; F615-Y637 HydrophobicContact CE1-CD2 4.01Å; F615-Y637 AromaticContact CE1-CE2 3.2Å; F615-Y637 HydrophobicContact CE1-CE2 3.2Å; F615-Y637 AromaticContact CE1-CZ 3.72Å; F615-Y637 HydrophobicContact CZ-CE2 4.08Å; W619-Y637 WeakPolarHBondContact CA-OH 3.28Å; W619-Y637 HydrophobicContact CB-CE1 3.67Å; W619-Y637 VanDerWaalsContact CB-OH 3.27Å; W619-Y637 WeakPolarHBondContact CB-OH 3.06Å; F622-Y637 HydrophobicContact CB-CE1 4.39Å; F622-Y637 AromaticContact CD1-CD1 3.95Å; F622-Y637 HydrophobicContact CD1-CD1 3.95Å; F622-Y637 AromaticContact CD1-CD2 3.8Å; F622-Y637 HydrophobicContact CD1-CD2 3.8Å; F622-Y637 AromaticContact CD1-CE1 3.68Å; F622-Y637 HydrophobicContact CD1-CE1 3.68Å; F622-Y637 AromaticContact CD1-CE2 3.51Å; F622-Y637 HydrophobicContact CD1-CE2 3.51Å; F622-Y637 HydrophobicContact CD1-CG 4Å; F622-Y637 AromaticContact CD1-CZ 3.5Å; F622-Y637 VanDerWaalsContact CD1-CZ 3.5Å; F622-Y637 AromaticContact CE1-CD2 3.69Å; F622-Y637 HydrophobicContact CE1-CD2 3.69Å; F622-Y637 AromaticContact CE1-CE2 3.67Å; F622-Y637 HydrophobicContact CE1-CE2 3.67Å; F622-Y637 HydrophobicContact CE1-CG 4.16Å; V623-Y637 HydrophobicContact CG2-CD1 3.69Å; V623-Y637 HydrophobicContact CG2-CE1 3.95Å; L633-Y637 VanDerWaalsContact O-CB 3.28Å; L633-Y637 WeakPolarHBondContact O-CB 3.47Å; L633-Y637 PolarHBondContact O-N 3.28Å; C634-Y637 PolarHBondContact O-N 2.81Å; I635-Y637 VanDerWaalsContact C-N 3.27Å; I635-Y637 PolarHBondContact O-N 3.45Å; Y637-C639 VanDerWaalsContact C-N 3.32Å; Y637-C639 PolarHBondContact O-N 3.32Å; Y637-T640 WeakPolarHBondContact O-CB 3.5Å; Y637-T640 PolarHBondContact O-N 2.91Å; Y637-V641 HydrophobicContact CD1-CG2 4.24Å; Y637-V641 HydrophobicContact CE1-CG2 3.98Å; Y637-V641 WeakPolarHBondContact O-CG2 3.5Å; Y637-V641 PolarHBondContact O-N 3.24Å
638	I	77.5	Confident	71.5	Confident	2 Å²	2	24.5 Å²	24.5	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-62.1	-42.9	174	-66.3	165.6	0	0	0	109.9	V623 C634 I635 T640 V641 I642 L674 L684 L701 F705	V623-I638 HydrophobicContact CG1-CD1 4.38Å; V623-I638 HydrophobicContact CG2-CG1 4Å; C634-I638 VanDerWaalsContact O-CG1 3.25Å; C634-I638 WeakPolarHBondContact O-CG1 3.18Å; C634-I638 PolarHBondContact O-N 3.22Å; I635-I638 PolarHBondContact O-N 3Å; I638-T640 VanDerWaalsContact C-N 3.31Å; I638-T640 PolarHBondContact O-N 3.37Å; I638-V641 PolarHBondContact O-N 2.91Å; I638-V641 VanDerWaalsContact O-N 3.13Å; I638-I642 HydrophobicContact CG2-CD1 3.83Å; I638-I642 HydrophobicContact CG2-CG1 4.41Å; I638-I642 WeakPolarHBondContact O-CG1 3.12Å; I638-I642 PolarHBondContact O-N 3.45Å; I638-L674 HydrophobicContact CG2-CD2 4.34Å; I638-L684 HydrophobicContact CD1-CD2 3.57Å; I638-L701 HydrophobicContact CB-CD1 4.03Å; I638-L701 HydrophobicContact CG2-CD1 3.69Å; I638-F705 HydrophobicContact CG2-CZ 4.4Å
639	C	78.2	Confident	72.1	Confident	7 Å²	7	23.2 Å²	23.2	5%	0.047	11%	0.112	C	C	.	.	H	α-helix	trans	-57.7	-43.8	174.4	-175.8	0	0	0	0	111.2	I635 E636 Y637 V641 I642 K643 N700 L701	I635-C639 WeakPolarHBondContact O-CB 3.48Å; I635-C639 PolarHBondContact O-N 3.26Å; E636-C639 WeakPolarHBondContact O-CB 3.4Å; E636-C639 PolarHBondContact O-N 3.15Å; Y637-C639 VanDerWaalsContact C-N 3.32Å; Y637-C639 PolarHBondContact O-N 3.32Å; C639-V641 PolarHBondContact O-N 3.02Å; C639-I642 PolarHBondContact O-N 2.99Å; C639-K643 WeakPolarHBondContact O-CB 3.19Å; C639-K643 WeakPolarHBondContact O-CG 3.34Å; C639-K643 PolarHBondContact O-N 2.76Å; C639-N700 PolarHBondContact SG-O 3.09Å; C639-L701 HydrophobicContact CB-CD1 3.96Å
640	T	72	Confident	72.4	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-59.3	-44.3	173.8	-49.7	0	0	0	0	112	V573 T574 L577 F615 E636 Y637 I638 I642 K643 M644	V573-T640 HydrophobicContact CB-CG2 4.28Å; V573-T640 HydrophobicContact CG1-CG2 3.62Å; T574-T640 PolarHBondContact OG1-OG1 3.36Å; L577-T640 HydrophobicContact CD1-CG2 3.55Å; L577-T640 WeakPolarHBondContact CD1-O 3.48Å; F615-T640 HydrophobicContact CE1-CG2 4.43Å; E636-T640 PolarHBondContact O-N 3.17Å; E636-T640 PolarHBondContact O-OG1 3.33Å; Y637-T640 WeakPolarHBondContact O-CB 3.5Å; Y637-T640 PolarHBondContact O-N 2.91Å; I638-T640 VanDerWaalsContact C-N 3.31Å; I638-T640 PolarHBondContact O-N 3.37Å; T640-I642 VanDerWaalsContact C-N 3.35Å; T640-I642 PolarHBondContact O-N 2.74Å; T640-K643 PolarHBondContact O-N 2.7Å; T640-M644 WeakPolarHBondContact O-CB 3.25Å; T640-M644 PolarHBondContact O-N 2.81Å
641	V	74.6	Confident	72.2	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.9	-40.2	177.6	172	0	0	0	0	111.5	F615 W619 Y637 I638 C639 M644 W645 I670	F615-V641 HydrophobicContact CD1-CG2 4.44Å; W619-V641 HydrophobicContact CB-CG2 4.24Å; W619-V641 HydrophobicContact CD2-CG1 4.29Å; W619-V641 HydrophobicContact CD2-CG2 4.43Å; W619-V641 HydrophobicContact CE3-CG1 4.33Å; W619-V641 HydrophobicContact CE3-CG2 4.33Å; W619-V641 HydrophobicContact CG-CG2 4.45Å; Y637-V641 HydrophobicContact CD1-CG2 4.24Å; Y637-V641 HydrophobicContact CE1-CG2 3.98Å; Y637-V641 WeakPolarHBondContact O-CG2 3.5Å; Y637-V641 PolarHBondContact O-N 3.24Å; I638-V641 PolarHBondContact O-N 2.91Å; I638-V641 VanDerWaalsContact O-N 3.13Å; C639-V641 PolarHBondContact O-N 3.02Å; V641-M644 WeakPolarHBondContact O-CB 3.34Å; V641-M644 PolarHBondContact O-N 3.11Å; V641-W645 PolarHBondContact O-N 3.48Å; V641-I670 HydrophobicContact CG1-CD1 4.07Å; V641-I670 HydrophobicContact CG1-CG2 4.1Å
642	I	77.9	Confident	72.1	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-68.7	-45.5	176.9	-63.3	159.4	0	0	0	110.7	I638 C639 T640 M644 W645 I646 L674 L701 A704 F705 A708	I638-I642 HydrophobicContact CG2-CD1 3.83Å; I638-I642 HydrophobicContact CG2-CG1 4.41Å; I638-I642 WeakPolarHBondContact O-CG1 3.12Å; I638-I642 PolarHBondContact O-N 3.45Å; C639-I642 PolarHBondContact O-N 2.99Å; T640-I642 VanDerWaalsContact C-N 3.35Å; T640-I642 PolarHBondContact O-N 2.74Å; I642-M644 PolarHBondContact O-N 2.96Å; I642-W645 CarbonylContact O-C 3.55Å; I642-W645 WeakPolarHBondContact O-CA 3.36Å; I642-W645 WeakPolarHBondContact O-CB 3.24Å; I642-W645 PolarHBondContact O-N 2.96Å; I642-I646 HydrophobicContact CG2-CD1 3.95Å; I642-I646 HydrophobicContact CG2-CG1 4.35Å; I642-I646 WeakPolarHBondContact O-CG1 3.34Å; I642-I646 PolarHBondContact O-N 3.24Å; I642-L674 HydrophobicContact CG1-CD1 4.33Å; I642-L701 HydrophobicContact CD1-CD1 3.82Å; I642-A704 HydrophobicContact CB-CB 4.34Å; I642-A704 HydrophobicContact CG2-CB 3.95Å; I642-F705 HydrophobicContact CD1-CD1 3.78Å; I642-F705 HydrophobicContact CD1-CD2 3.67Å; I642-F705 HydrophobicContact CD1-CE1 3.44Å; I642-F705 VanDerWaalsContact CD1-CE1 3.44Å; I642-F705 HydrophobicContact CD1-CE2 3.34Å; I642-F705 HydrophobicContact CD1-CG 3.89Å; I642-F705 HydrophobicContact CD1-CZ 3.21Å; I642-F705 HydrophobicContact CG1-CE1 4.11Å; I642-F705 HydrophobicContact CG1-CZ 4.21Å; I642-A708 HydrophobicContact CG2-CB 3.79Å
643	K	75.2	Confident	71.8	Confident	72 Å²	72	28 Å²	28	31%	0.313	13%	0.129	S	C	.	.	H	α-helix	trans	-57.4	-40.6	174.6	-75.7	-178.6	176.3	-177.3	0	111.5	C639 T640 I646 V647 A704	C639-K643 WeakPolarHBondContact O-CB 3.19Å; C639-K643 WeakPolarHBondContact O-CG 3.34Å; C639-K643 PolarHBondContact O-N 2.76Å; T640-K643 PolarHBondContact O-N 2.7Å; K643-I646 PolarHBondContact O-N 3.38Å; K643-V647 VanDerWaalsContact O-CG2 3.32Å; K643-V647 WeakPolarHBondContact O-CG2 3.29Å; K643-V647 PolarHBondContact O-N 3.19Å; K643-A704 HydrophobicContact CG-CB 4.49Å
644	M	71.4	Confident	71.4	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.015	14%	0.144	C	C	.	.	H	α-helix	trans	-61.6	-42.8	174	-173.3	-178.6	80.7	0	0	112	L577 L612 F615 A616 T640 V641 I642 Y648 L667 I670	L577-M644 HydrophobicContact CD1-CB 3.79Å; L577-M644 HydrophobicContact CD1-CG 4.43Å; L577-M644 HydrophobicContact CD2-CB 4.08Å; L577-M644 HydrophobicContact CD2-CG 3.98Å; L612-M644 HydrophobicContact CD2-CE 4.26Å; L612-M644 HydrophobicContact CD2-CG 3.49Å; L612-M644 VanDerWaalsContact CD2-CG 3.49Å; L612-M644 HydrophobicContact CD2-SD 3.41Å; L612-M644 WeakPolarHBondContact CD2-SD 3.34Å; F615-M644 HydrophobicContact CB-CE 3.72Å; F615-M644 HydrophobicContact CB-SD 3.42Å; F615-M644 WeakPolarHBondContact CB-SD 3.5Å; F615-M644 HydrophobicContact CG-SD 4.1Å; A616-M644 HydrophobicContact CB-CE 4.46Å; T640-M644 WeakPolarHBondContact O-CB 3.25Å; T640-M644 PolarHBondContact O-N 2.81Å; V641-M644 WeakPolarHBondContact O-CB 3.34Å; V641-M644 PolarHBondContact O-N 3.11Å; I642-M644 PolarHBondContact O-N 2.96Å; M644-Y648 WeakPolarHBondContact O-CB 3.48Å; M644-Y648 PolarHBondContact O-N 3.48Å; M644-L667 HydrophobicContact CE-CD2 3.7Å; M644-I670 HydrophobicContact CE-CD1 3.98Å
645	W	77.6	Confident	70.6	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-63.9	-43.1	174.4	-179.6	89.3	0	0	0	112	V641 I642 V647 Y648 Y649 L667 I670 P671 A708 L711 D712 F715	V641-W645 PolarHBondContact O-N 3.48Å; I642-W645 CarbonylContact O-C 3.55Å; I642-W645 WeakPolarHBondContact O-CA 3.36Å; I642-W645 WeakPolarHBondContact O-CB 3.24Å; I642-W645 PolarHBondContact O-N 2.96Å; W645-V647 PolarHBondContact O-N 3.03Å; W645-Y648 CarbonylContact O-C 3.6Å; W645-Y648 PolarHBondContact O-N 3.34Å; W645-Y649 HydrophobicContact CH2-CD1 4.2Å; W645-Y649 AromaticContact CH2-CD2 3.72Å; W645-Y649 HydrophobicContact CH2-CD2 3.72Å; W645-Y649 HydrophobicContact CH2-CE2 4.25Å; W645-Y649 AromaticContact CH2-CG 3.67Å; W645-Y649 HydrophobicContact CH2-CG 3.67Å; W645-Y649 AromaticContact CZ2-CD2 3.47Å; W645-Y649 HydrophobicContact CZ2-CD2 3.47Å; W645-Y649 VanDerWaalsContact CZ2-CD2 3.47Å; W645-Y649 HydrophobicContact CZ2-CE2 4.1Å; W645-Y649 AromaticContact CZ2-CG 3.83Å; W645-Y649 HydrophobicContact CZ2-CG 3.83Å; W645-Y649 HydrophobicContact CZ3-CG 4.31Å; W645-Y649 WeakPolarHBondContact O-CB 3.38Å; W645-Y649 PolarHBondContact O-N 2.92Å; W645-L667 PolarHBondContact NE1-O 3.22Å; W645-I670 HydrophobicContact CB-CD1 4.13Å; W645-I670 HydrophobicContact CB-CG2 4.4Å; W645-I670 HydrophobicContact CG-CG2 4.49Å; W645-P671 HydrophobicContact CZ2-CG 4.41Å; W645-A708 HydrophobicContact CE3-CB 4.06Å; W645-A708 HydrophobicContact CZ3-CB 3.89Å; W645-L711 HydrophobicContact CH2-CB 4.09Å; W645-L711 HydrophobicContact CZ3-CB 4.08Å; W645-L711 HydrophobicContact CZ3-CD1 4.36Å; W645-D712 HydrophobicContact CH2-CB 3.37Å; W645-D712 HydrophobicContact CZ2-CB 3.71Å; W645-D712 HydrophobicContact CZ3-CB 4.48Å; W645-F715 AromaticContact CD2-CE2 3.52Å; W645-F715 HydrophobicContact CD2-CE2 3.52Å; W645-F715 AromaticContact CD2-CZ 3.82Å; W645-F715 HydrophobicContact CD2-CZ 3.82Å; W645-F715 AromaticContact CE2-CE2 3.59Å; W645-F715 HydrophobicContact CE3-CD2 4.3Å; W645-F715 AromaticContact CE3-CE2 3.45Å; W645-F715 HydrophobicContact CE3-CE2 3.45Å; W645-F715 VanDerWaalsContact CE3-CE2 3.45Å; W645-F715 AromaticContact CE3-CZ 3.94Å; W645-F715 HydrophobicContact CE3-CZ 3.94Å; W645-F715 HydrophobicContact CG-CE2 4.32Å; W645-F715 HydrophobicContact CG-CZ 4.17Å; W645-F715 HydrophobicContact CH2-CD2 4.04Å; W645-F715 AromaticContact CH2-CE2 3.66Å; W645-F715 HydrophobicContact CH2-CE2 3.66Å; W645-F715 HydrophobicContact CZ2-CD2 4.37Å; W645-F715 AromaticContact CZ2-CE2 3.67Å; W645-F715 HydrophobicContact CZ2-CE2 3.67Å; W645-F715 AromaticContact CZ3-CD2 3.98Å; W645-F715 HydrophobicContact CZ3-CD2 3.98Å; W645-F715 AromaticContact CZ3-CE2 3.53Å; W645-F715 HydrophobicContact CZ3-CE2 3.53Å; W645-F715 HydrophobicContact CZ3-CZ 4.44Å
646	I	74.4	Confident	69.6	Low	4 Å²	4	33.3 Å²	33.3	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-58.6	-48.9	176.9	-71	166.5	0	0	0	110.4	I642 K643 Y649 K650 A704 E707 A708 L711	I642-I646 HydrophobicContact CG2-CD1 3.95Å; I642-I646 HydrophobicContact CG2-CG1 4.35Å; I642-I646 WeakPolarHBondContact O-CG1 3.34Å; I642-I646 PolarHBondContact O-N 3.24Å; K643-I646 PolarHBondContact O-N 3.38Å; I646-Y649 PolarHBondContact O-N 3.45Å; I646-K650 HydrophobicContact CG2-CD 3.91Å; I646-K650 HydrophobicContact CG2-CG 4.34Å; I646-K650 WeakPolarHBondContact O-CB 3.25Å; I646-K650 WeakPolarHBondContact O-CG 3.45Å; I646-K650 PolarHBondContact O-N 2.89Å; I646-A704 WeakPolarHBondContact CD1-O 3.32Å; I646-E707 HydrophobicContact CD1-CB 3.97Å; I646-E707 HydrophobicContact CD1-CG 3.98Å; I646-E707 HydrophobicContact CG2-CG 4.34Å; I646-E707 WeakPolarHBondContact CG2-OE1 2.87Å; I646-A708 HydrophobicContact CD1-CB 4.2Å; I646-A708 HydrophobicContact CG1-CB 4.06Å; I646-L711 HydrophobicContact CB-CD1 4.37Å; I646-L711 HydrophobicContact CG1-CD1 4.26Å; I646-L711 HydrophobicContact CG2-CD1 3.86Å
647	V	69	Low	68.7	Low	10 Å²	10	40.1 Å²	40.1	6%	0.061	19%	0.193	C	C	.	.	H	α-helix	trans	-59.5	-48.9	176	174	0	0	0	0	109.6	I580 N581 L584 K643 W645 Y649 W651	I580-V647 HydrophobicContact CG2-CG1 4.27Å; N581-V647 HydrophobicContact CB-CG2 3.8Å; L584-V647 HydrophobicContact CD1-CG1 4.14Å; K643-V647 VanDerWaalsContact O-CG2 3.32Å; K643-V647 WeakPolarHBondContact O-CG2 3.29Å; K643-V647 PolarHBondContact O-N 3.19Å; W645-V647 PolarHBondContact O-N 3.03Å; V647-Y649 VanDerWaalsContact C-N 3.34Å; V647-Y649 PolarHBondContact O-N 3.29Å; V647-W651 WeakPolarHBondContact O-CB 3.37Å; V647-W651 PolarHBondContact O-N 3.16Å
648	Y	71.1	Confident	67.7	Low	30 Å²	30	42.5 Å²	42.5	12%	0.118	21%	0.206	C	C	.	.	H	α-helix	trans	-58	-45	177.1	172.7	-104.2	0	0	0	112.8	M644 W645 W651 S652 F655 V659 K664 L667	M644-Y648 WeakPolarHBondContact O-CB 3.48Å; M644-Y648 PolarHBondContact O-N 3.48Å; W645-Y648 CarbonylContact O-C 3.6Å; W645-Y648 PolarHBondContact O-N 3.34Å; Y648-W651 CarbonylContact O-C 3.21Å; Y648-W651 PolarHBondContact O-N 3.28Å; Y648-S652 WeakPolarHBondContact O-CA 3.43Å; Y648-S652 VanDerWaalsContact O-CB 3.23Å; Y648-S652 WeakPolarHBondContact O-CB 3.29Å; Y648-S652 PolarHBondContact O-N 3.42Å; Y648-F655 HydrophobicContact CD2-CB 4.41Å; Y648-F655 AromaticContact CD2-CD2 3.92Å; Y648-F655 HydrophobicContact CD2-CD2 3.92Å; Y648-F655 HydrophobicContact CD2-CE2 4.34Å; Y648-F655 HydrophobicContact CD2-CG 4.13Å; Y648-F655 HydrophobicContact CE2-CB 4.19Å; Y648-F655 HydrophobicContact CE2-CG 4.38Å; Y648-V659 HydrophobicContact CE2-CG2 4.44Å; Y648-K664 WeakPolarHBondContact OH-CG 3.48Å; Y648-L667 HydrophobicContact CD1-CB 3.66Å; Y648-L667 HydrophobicContact CD1-CD1 4.09Å; Y648-L667 HydrophobicContact CD1-CG 4.4Å; Y648-L667 HydrophobicContact CD2-CB 4.47Å; Y648-L667 HydrophobicContact CD2-CD1 3.37Å; Y648-L667 HydrophobicContact CD2-CG 4.48Å; Y648-L667 HydrophobicContact CE1-CB 3.72Å; Y648-L667 HydrophobicContact CE1-CD1 4.36Å; Y648-L667 HydrophobicContact CE2-CD1 3.69Å; Y648-L667 HydrophobicContact CG-CB 4.04Å; Y648-L667 HydrophobicContact CG-CD1 3.57Å; Y648-L667 HydrophobicContact CG-CG 4.28Å
649	Y	72.9	Confident	66.7	Low	92 Å²	92	42.7 Å²	42.7	36%	0.361	21%	0.207	S	C	.	.	H	α-helix	trans	-67.6	-51	-176.6	-172.6	-92.9	0	0	0	111.7	W645 I646 V647 W651 S652 L711	W645-Y649 HydrophobicContact CH2-CD1 4.2Å; W645-Y649 AromaticContact CH2-CD2 3.72Å; W645-Y649 HydrophobicContact CH2-CD2 3.72Å; W645-Y649 HydrophobicContact CH2-CE2 4.25Å; W645-Y649 AromaticContact CH2-CG 3.67Å; W645-Y649 HydrophobicContact CH2-CG 3.67Å; W645-Y649 AromaticContact CZ2-CD2 3.47Å; W645-Y649 HydrophobicContact CZ2-CD2 3.47Å; W645-Y649 VanDerWaalsContact CZ2-CD2 3.47Å; W645-Y649 HydrophobicContact CZ2-CE2 4.1Å; W645-Y649 AromaticContact CZ2-CG 3.83Å; W645-Y649 HydrophobicContact CZ2-CG 3.83Å; W645-Y649 HydrophobicContact CZ3-CG 4.31Å; W645-Y649 WeakPolarHBondContact O-CB 3.38Å; W645-Y649 PolarHBondContact O-N 2.92Å; I646-Y649 PolarHBondContact O-N 3.45Å; V647-Y649 VanDerWaalsContact C-N 3.34Å; V647-Y649 PolarHBondContact O-N 3.29Å; Y649-W651 PolarHBondContact O-N 2.84Å; Y649-W651 VanDerWaalsContact O-N 3.16Å; Y649-S652 WeakPolarHBondContact O-CB 3.44Å; Y649-S652 PolarHBondContact O-N 3.07Å; Y649-S652 VanDerWaalsContact O-N 3.15Å; Y649-S652 PolarHBondContact O-OG 3.18Å; Y649-L711 HydrophobicContact CD1-CB 3.73Å; Y649-L711 HydrophobicContact CD1-CD1 4.19Å; Y649-L711 HydrophobicContact CD1-CD2 4.15Å; Y649-L711 HydrophobicContact CD1-CG 4.24Å; Y649-L711 HydrophobicContact CE1-CB 3.73Å; Y649-L711 HydrophobicContact CE1-CD2 4.22Å; Y649-L711 HydrophobicContact CE1-CG 4.48Å; Y649-L711 WeakPolarHBondContact CE1-O 3.31Å; Y649-L711 VanDerWaalsContact CZ-O 3.29Å; Y649-L711 PolarHBondContact OH-O 2.92Å
650	K	69.2	Low	65.9	Low	92 Å²	92	45.8 Å²	45.8	40%	0.4	23%	0.228	S	C	.	.	H	α-helix	trans	-54.2	-35.6	177.8	-80.1	-177.3	167.6	177.2	0	112.3	I646 E707 L711	I646-K650 HydrophobicContact CG2-CD 3.91Å; I646-K650 HydrophobicContact CG2-CG 4.34Å; I646-K650 WeakPolarHBondContact O-CB 3.25Å; I646-K650 WeakPolarHBondContact O-CG 3.45Å; I646-K650 PolarHBondContact O-N 2.89Å; K650-E707 WeakPolarHBondContact CE-OE1 3.44Å; K650-E707 IonicContact NZ-OE1 2.94Å; K650-E707 PolarHBondContact NZ-OE1 2.69Å; K650-L711 HydrophobicContact CG-CD1 3.98Å; K650-L711 HydrophobicContact CG-CD2 4.37Å
651	W	64.4	Low	65.6	Low	17 Å²	17	51.9 Å²	51.9	6%	0.064	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	12.2	-173.9	-57.1	110.3	0	0	0	112.6	N581 L584 L585 L588 V647 Y648 Y649 E653 V654 F655	N581-W651 PolarHBondContact OD1-NE1 3.35Å; L584-W651 HydrophobicContact CB-CD2 3.91Å; L584-W651 HydrophobicContact CB-CE3 4.29Å; L584-W651 HydrophobicContact CB-CG 4.44Å; L584-W651 HydrophobicContact CB-CH2 3.92Å; L584-W651 HydrophobicContact CB-CZ2 3.57Å; L584-W651 HydrophobicContact CB-CZ3 4.25Å; L584-W651 HydrophobicContact CD1-CB 4.28Å; L584-W651 HydrophobicContact CD1-CD2 4.07Å; L584-W651 HydrophobicContact CD1-CG 3.72Å; L584-W651 HydrophobicContact CG-CD2 4.49Å; L584-W651 WeakPolarHBondContact O-CH2 3.48Å; L585-W651 HydrophobicContact CB-CZ2 4.43Å; L585-W651 HydrophobicContact CD2-CH2 4.44Å; L585-W651 HydrophobicContact CD2-CZ2 3.86Å; L585-W651 HydrophobicContact CG-CZ2 3.9Å; L588-W651 HydrophobicContact CB-CH2 4.28Å; L588-W651 HydrophobicContact CB-CZ3 4.45Å; L588-W651 HydrophobicContact CD1-CE3 4.33Å; L588-W651 HydrophobicContact CD1-CH2 3.38Å; L588-W651 HydrophobicContact CD1-CZ3 3.18Å; L588-W651 HydrophobicContact CG-CH2 3.92Å; L588-W651 HydrophobicContact CG-CZ3 3.63Å; V647-W651 WeakPolarHBondContact O-CB 3.37Å; V647-W651 PolarHBondContact O-N 3.16Å; Y648-W651 CarbonylContact O-C 3.21Å; Y648-W651 PolarHBondContact O-N 3.28Å; Y649-W651 PolarHBondContact O-N 2.84Å; Y649-W651 VanDerWaalsContact O-N 3.16Å; W651-E653 VanDerWaalsContact C-N 3.25Å; W651-E653 PolarHBondContact O-N 3.27Å; W651-V654 HydrophobicContact CE3-CG2 4.22Å; W651-V654 WeakPolarHBondContact O-CA 3.12Å; W651-V654 WeakPolarHBondContact O-CB 3.35Å; W651-V654 PolarHBondContact O-N 3.16Å; W651-F655 VanDerWaalsContact C-CD2 3.42Å; W651-F655 HydrophobicContact CB-CD2 3.7Å; W651-F655 HydrophobicContact CB-CE2 3.48Å; W651-F655 VanDerWaalsContact CB-CE2 3.48Å; W651-F655 HydrophobicContact CG-CE2 4.49Å; W651-F655 WeakPolarHBondContact O-CD2 3.44Å; W651-F655 PolarHBondContact O-N 2.73Å
652	S	64.7	Low	65.1	Low	41 Å²	41	57.2 Å²	57.2	29%	0.287	29%	0.285	S	S	.	.	H	α-helix	trans	-59.4	-34.8	-170.2	57	0	0	0	0	113	Y648 Y649 V654 F655 S656	Y648-S652 WeakPolarHBondContact O-CA 3.43Å; Y648-S652 VanDerWaalsContact O-CB 3.23Å; Y648-S652 WeakPolarHBondContact O-CB 3.29Å; Y648-S652 PolarHBondContact O-N 3.42Å; Y649-S652 WeakPolarHBondContact O-CB 3.44Å; Y649-S652 PolarHBondContact O-N 3.07Å; Y649-S652 VanDerWaalsContact O-N 3.15Å; Y649-S652 PolarHBondContact O-OG 3.18Å; S652-V654 VanDerWaalsContact C-N 3.32Å; S652-V654 PolarHBondContact O-N 3.19Å; S652-F655 CarbonylContact O-C 3.54Å; S652-F655 PolarHBondContact O-N 3.15Å; S652-S656 PolarHBondContact O-N 3.24Å
653	E	60.4	Low	64.4	Low	167 Å²	167	57.9 Å²	57.9	78%	0.78	29%	0.289	S	S	*	.	H	α-helix	trans	-61.9	-40.4	174.6	-63.5	-169.9	165.3	0	0	111.6	W651 S656	W651-E653 VanDerWaalsContact C-N 3.25Å; W651-E653 PolarHBondContact O-N 3.27Å; E653-S656 WeakPolarHBondContact O-CB 3.4Å; E653-S656 PolarHBondContact O-N 3.4Å; E653-S656 PolarHBondContact O-OG 3.15Å
654	V	58.1	Low	64	Low	59 Å²	59	57 Å²	57	36%	0.358	29%	0.285	S	S	.	.	H	α-helix	trans	-72.4	-37.3	175.6	-168.8	0	0	0	0	110.9	L602 L606 W651 S652 S656	L602-V654 HydrophobicContact CD2-CG1 3.83Å; L606-V654 HydrophobicContact CD1-CG1 4.04Å; W651-V654 HydrophobicContact CE3-CG2 4.22Å; W651-V654 WeakPolarHBondContact O-CA 3.12Å; W651-V654 WeakPolarHBondContact O-CB 3.35Å; W651-V654 PolarHBondContact O-N 3.16Å; S652-V654 VanDerWaalsContact C-N 3.32Å; S652-V654 PolarHBondContact O-N 3.19Å; V654-S656 VanDerWaalsContact C-N 3.28Å; V654-S656 PolarHBondContact O-N 3.33Å
655	F	54.5	Low	64	Low	10 Å²	10	63 Å²	63	4%	0.044	31%	0.311	C	S	.	.	H	α-helix	trans	-69.9	-19.1	175.8	-77.5	-73.1	0	0	0	114.3	L606 Y648 W651 S652 F657 N658 V659	L606-F655 HydrophobicContact CB-CD1 3.68Å; L606-F655 HydrophobicContact CB-CE1 3.71Å; L606-F655 HydrophobicContact CD1-CD1 4.49Å; L606-F655 HydrophobicContact CD2-CD1 3.2Å; L606-F655 HydrophobicContact CD2-CD2 4.1Å; L606-F655 HydrophobicContact CD2-CE1 2.97Å; L606-F655 HydrophobicContact CD2-CE2 3.88Å; L606-F655 HydrophobicContact CD2-CG 3.75Å; L606-F655 HydrophobicContact CD2-CZ 3.29Å; L606-F655 HydrophobicContact CG-CD1 3.85Å; L606-F655 HydrophobicContact CG-CE1 3.8Å; Y648-F655 HydrophobicContact CD2-CB 4.41Å; Y648-F655 AromaticContact CD2-CD2 3.92Å; Y648-F655 HydrophobicContact CD2-CD2 3.92Å; Y648-F655 HydrophobicContact CD2-CE2 4.34Å; Y648-F655 HydrophobicContact CD2-CG 4.13Å; Y648-F655 HydrophobicContact CE2-CB 4.19Å; Y648-F655 HydrophobicContact CE2-CG 4.38Å; W651-F655 VanDerWaalsContact C-CD2 3.42Å; W651-F655 HydrophobicContact CB-CD2 3.7Å; W651-F655 HydrophobicContact CB-CE2 3.48Å; W651-F655 VanDerWaalsContact CB-CE2 3.48Å; W651-F655 HydrophobicContact CG-CE2 4.49Å; W651-F655 WeakPolarHBondContact O-CD2 3.44Å; W651-F655 PolarHBondContact O-N 2.73Å; S652-F655 CarbonylContact O-C 3.54Å; S652-F655 PolarHBondContact O-N 3.15Å; F655-F657 PolarHBondContact O-N 2.86Å; F655-N658 PolarHBondContact O-N 3.08Å; F655-V659 HydrophobicContact CB-CG2 3.9Å; F655-V659 HydrophobicContact CD1-CG2 3.62Å; F655-V659 HydrophobicContact CG-CG2 4.16Å; F655-V659 PolarHBondContact O-N 2.98Å
656	S	55.1	Low	63.6	Low	52 Å²	52	67.1 Å²	67.1	36%	0.364	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.5	-170.1	67.1	0	0	0	0	113.8	S652 E653 V654 K664	S652-S656 PolarHBondContact O-N 3.24Å; E653-S656 WeakPolarHBondContact O-CB 3.4Å; E653-S656 PolarHBondContact O-N 3.4Å; E653-S656 PolarHBondContact O-OG 3.15Å; V654-S656 VanDerWaalsContact C-N 3.28Å; V654-S656 PolarHBondContact O-N 3.33Å; S656-K664 PolarHBondContact O-NZ 3.08Å
657	F	51.6	Low	63.4	Low	180 Å²	180	66.9 Å²	66.9	79%	0.789	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-19.9	179.9	-72.3	-82.9	0	0	0	115.1	F655	F655-F657 PolarHBondContact O-N 2.86Å
658	N	52.2	Low	63.7	Low	51 Å²	51	68.5 Å²	68.5	27%	0.273	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-23.4	-162.5	-64.7	-29	0	0	0	116.6	M603 L606 F655	M603-N658 WeakPolarHBondContact CE-OD1 3.49Å; M603-N658 PolarHBondContact SD-ND2 3.12Å; M603-N658 PolarHBondContact SD-OD1 3.11Å; L606-N658 HydrophobicContact CB-CB 4.5Å; F655-N658 PolarHBondContact O-N 3.08Å
659	V	55.8	Low	64	Low	7 Å²	7	69.4 Å²	69.4	4%	0.042	35%	0.345	C	S	.	.	S	Bend	trans	-82.2	123.1	-179	-176	0	0	0	0	108.4	Y648 F655 M663 K664	Y648-V659 HydrophobicContact CE2-CG2 4.44Å; F655-V659 HydrophobicContact CB-CG2 3.9Å; F655-V659 HydrophobicContact CD1-CG2 3.62Å; F655-V659 HydrophobicContact CG-CG2 4.16Å; F655-V659 PolarHBondContact O-N 2.98Å; V659-M663 HydrophobicContact CG1-CB 3.63Å; V659-M663 HydrophobicContact CG1-CG 3.59Å; V659-M663 HydrophobicContact CG1-SD 3.84Å; V659-K664 HydrophobicContact CB-CG 3.84Å; V659-K664 HydrophobicContact CG1-CG 3.71Å; V659-K664 WeakPolarHBondContact O-CE 3.19Å
660	C	60.7	Low	64.3	Low	71 Å²	71	65.1 Å²	65.1	48%	0.48	33%	0.328	S	S	.	.			trans	-59.3	146.8	177.2	75.1	0	0	0	0	110.6	Q662 M663 K664	C660-Q662 PolarHBondContact O-N 3.34Å; C660-M663 WeakPolarHBondContact O-CA 3.38Å; C660-M663 WeakPolarHBondContact O-CB 3.49Å; C660-M663 PolarHBondContact O-N 2.93Å; C660-M663 VanDerWaalsContact SG-CB 3.53Å; C660-K664 PolarHBondContact O-N 3.11Å
661	D	66.9	Low	64.8	Low	129 Å²	129	60.7 Å²	60.7	69%	0.69	31%	0.309	S	S	*	.	H	α-helix	trans	-55.9	-32.9	-173.4	-65.1	-31.5	0	0	0	113.2	M663 K665	D661-M663 VanDerWaalsContact C-N 3.26Å; D661-M663 PolarHBondContact O-N 3.49Å; D661-K665 WeakPolarHBondContact O-CB 3.24Å; D661-K665 PolarHBondContact O-N 3.32Å
662	Q	64.2	Low	65.6	Low	112 Å²	112	62.7 Å²	62.7	52%	0.523	32%	0.32	S	S	.	.	H	α-helix	trans	-61.9	-35.9	176.4	-169.8	-179.8	-2.4	0	0	112.4	C660 K665 Y666	C660-Q662 PolarHBondContact O-N 3.34Å; Q662-K665 WeakPolarHBondContact O-CB 3.23Å; Q662-Y666 HydrophobicContact CG-CD2 4.17Å; Q662-Y666 HydrophobicContact CG-CE2 3.55Å; Q662-Y666 PolarHBondContact NE2-OH 3.25Å; Q662-Y666 WeakPolarHBondContact O-CD2 3.48Å; Q662-Y666 PolarHBondContact O-N 3.02Å
663	M	62.5	Low	66.3	Low	15 Å²	15	62.6 Å²	62.6	7%	0.074	32%	0.316	C	S	.	.	H	α-helix	trans	-86.3	-35.4	-176.3	-174.1	175.6	-172.5	0	0	112	L612 V659 C660 D661 K665 Y666 L667	L612-M663 HydrophobicContact CB-CE 2.9Å; L612-M663 HydrophobicContact CD1-CE 3.38Å; L612-M663 HydrophobicContact CG-CE 3.76Å; V659-M663 HydrophobicContact CG1-CB 3.63Å; V659-M663 HydrophobicContact CG1-CG 3.59Å; V659-M663 HydrophobicContact CG1-SD 3.84Å; C660-M663 WeakPolarHBondContact O-CA 3.38Å; C660-M663 WeakPolarHBondContact O-CB 3.49Å; C660-M663 PolarHBondContact O-N 2.93Å; C660-M663 VanDerWaalsContact SG-CB 3.53Å; D661-M663 VanDerWaalsContact C-N 3.26Å; D661-M663 PolarHBondContact O-N 3.49Å; M663-K665 PolarHBondContact O-N 3.23Å; M663-Y666 PolarHBondContact O-N 3.09Å; M663-L667 WeakPolarHBondContact O-CG 3.46Å; M663-L667 PolarHBondContact O-N 3.46Å
664	K	67	Low	67.1	Low	53 Å²	53	54.8 Å²	54.8	23%	0.23	28%	0.279	C	S	.	.	H	α-helix	trans	-54.7	-43.7	164.5	-68.7	-176.8	176.3	160.8	0	110.3	Y648 S656 V659 C660 L667 S668	Y648-K664 WeakPolarHBondContact OH-CG 3.48Å; S656-K664 PolarHBondContact O-NZ 3.08Å; V659-K664 HydrophobicContact CB-CG 3.84Å; V659-K664 HydrophobicContact CG1-CG 3.71Å; V659-K664 WeakPolarHBondContact O-CE 3.19Å; C660-K664 PolarHBondContact O-N 3.11Å; K664-L667 PolarHBondContact O-N 2.94Å; K664-S668 VanDerWaalsContact O-CB 3.27Å; K664-S668 WeakPolarHBondContact O-CB 3.4Å; K664-S668 PolarHBondContact O-N 3.2Å; K664-S668 PolarHBondContact O-OG 3.04Å; K664-S668 VanDerWaalsContact O-OG 3.11Å
665	K	71.2	Confident	68.1	Low	130 Å²	130	54.3 Å²	54.3	57%	0.565	27%	0.274	S	S	*	.	H	α-helix	trans	-62.3	-50.2	175	-174.4	178.2	-180	-176.7	0	112.1	D661 Q662 M663 L667 S668 D669	D661-K665 WeakPolarHBondContact O-CB 3.24Å; D661-K665 PolarHBondContact O-N 3.32Å; Q662-K665 WeakPolarHBondContact O-CB 3.23Å; M663-K665 PolarHBondContact O-N 3.23Å; K665-L667 VanDerWaalsContact C-N 3.28Å; K665-L667 PolarHBondContact O-N 3.3Å; K665-S668 WeakPolarHBondContact CA-OG 3.4Å; K665-S668 PolarHBondContact O-N 3.11Å; K665-S668 PolarHBondContact O-OG 2.8Å; K665-D669 WeakPolarHBondContact CE-OD2 3.48Å; K665-D669 WeakPolarHBondContact CG-OD2 3.4Å; K665-D669 VanDerWaalsContact O-CB 3.23Å; K665-D669 WeakPolarHBondContact O-CB 3.47Å; K665-D669 PolarHBondContact O-N 2.61Å
666	Y	69.7	Low	69.3	Low	87 Å²	87	60.8 Å²	60.8	34%	0.341	30%	0.302	S	S	.	.	H	α-helix	trans	-58.2	-41.5	178.3	-71.1	-55.8	0	0	0	112.7	A616 Q662 M663 I670	A616-Y666 HydrophobicContact CB-CG 4.34Å; Q662-Y666 HydrophobicContact CG-CD2 4.17Å; Q662-Y666 HydrophobicContact CG-CE2 3.55Å; Q662-Y666 PolarHBondContact NE2-OH 3.25Å; Q662-Y666 WeakPolarHBondContact O-CD2 3.48Å; Q662-Y666 PolarHBondContact O-N 3.02Å; M663-Y666 PolarHBondContact O-N 3.09Å; Y666-I670 WeakPolarHBondContact O-CG1 3.3Å; Y666-I670 PolarHBondContact O-N 3.34Å
667	L	71	Confident	70.3	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-71.1	-41.6	178	-66.9	169	0	0	0	111.9	L612 A616 M644 W645 Y648 M663 K664 K665 D669 I670	L612-L667 HydrophobicContact CD2-CD2 4.34Å; A616-L667 HydrophobicContact CB-CD2 4.25Å; M644-L667 HydrophobicContact CE-CD2 3.7Å; W645-L667 PolarHBondContact NE1-O 3.22Å; Y648-L667 HydrophobicContact CD1-CB 3.66Å; Y648-L667 HydrophobicContact CD1-CD1 4.09Å; Y648-L667 HydrophobicContact CD1-CG 4.4Å; Y648-L667 HydrophobicContact CD2-CB 4.47Å; Y648-L667 HydrophobicContact CD2-CD1 3.37Å; Y648-L667 HydrophobicContact CD2-CG 4.48Å; Y648-L667 HydrophobicContact CE1-CB 3.72Å; Y648-L667 HydrophobicContact CE1-CD1 4.36Å; Y648-L667 HydrophobicContact CE2-CD1 3.69Å; Y648-L667 HydrophobicContact CG-CB 4.04Å; Y648-L667 HydrophobicContact CG-CD1 3.57Å; Y648-L667 HydrophobicContact CG-CG 4.28Å; M663-L667 WeakPolarHBondContact O-CG 3.46Å; M663-L667 PolarHBondContact O-N 3.46Å; K664-L667 PolarHBondContact O-N 2.94Å; K665-L667 VanDerWaalsContact C-N 3.28Å; K665-L667 PolarHBondContact O-N 3.3Å; L667-D669 PolarHBondContact O-N 3.23Å; L667-I670 HydrophobicContact CD2-CD1 3.83Å; L667-I670 PolarHBondContact O-N 3.01Å
668	S	74.4	Confident	71.4	Confident	44 Å²	44	54 Å²	54	31%	0.308	27%	0.266	S	S	.	.	H	α-helix	trans	-65.2	-28	177.8	64.4	0	0	0	0	113.5	K664 K665 P671 R714	K664-S668 VanDerWaalsContact O-CB 3.27Å; K664-S668 WeakPolarHBondContact O-CB 3.4Å; K664-S668 PolarHBondContact O-N 3.2Å; K664-S668 PolarHBondContact O-OG 3.04Å; K664-S668 VanDerWaalsContact O-OG 3.11Å; K665-S668 WeakPolarHBondContact CA-OG 3.4Å; K665-S668 PolarHBondContact O-N 3.11Å; K665-S668 PolarHBondContact O-OG 2.8Å; S668-P671 WeakPolarHBondContact O-CD 3.1Å; S668-R714 PolarHBondContact O-NH1 2.78Å
669	D	78.2	Confident	72.4	Confident	49 Å²	49	57.4 Å²	57.4	26%	0.262	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-9.5	-177.4	-63.9	0.5	0	0	0	112.1	K665 L667 P671 D672 E673	K665-D669 WeakPolarHBondContact CE-OD2 3.48Å; K665-D669 WeakPolarHBondContact CG-OD2 3.4Å; K665-D669 VanDerWaalsContact O-CB 3.23Å; K665-D669 WeakPolarHBondContact O-CB 3.47Å; K665-D669 PolarHBondContact O-N 2.61Å; L667-D669 PolarHBondContact O-N 3.23Å; D669-P671 VanDerWaalsContact C-CD 3.43Å; D669-D672 PolarHBondContact O-N 2.87Å; D669-D672 VanDerWaalsContact O-N 3.09Å; D669-E673 HydrophobicContact CB-CG 4.5Å; D669-E673 WeakPolarHBondContact O-CB 3.47Å; D669-E673 WeakPolarHBondContact O-CG 3.26Å; D669-E673 PolarHBondContact O-N 3.42Å
670	I	79.4	Confident	73.4	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-50.1	-49.1	177.3	-72.9	173.2	0	0	0	112.6	V641 M644 W645 Y666 L667 D672 E673 L674 F715	V641-I670 HydrophobicContact CG1-CD1 4.07Å; V641-I670 HydrophobicContact CG1-CG2 4.1Å; M644-I670 HydrophobicContact CE-CD1 3.98Å; W645-I670 HydrophobicContact CB-CD1 4.13Å; W645-I670 HydrophobicContact CB-CG2 4.4Å; W645-I670 HydrophobicContact CG-CG2 4.49Å; Y666-I670 WeakPolarHBondContact O-CG1 3.3Å; Y666-I670 PolarHBondContact O-N 3.34Å; L667-I670 HydrophobicContact CD2-CD1 3.83Å; L667-I670 PolarHBondContact O-N 3.01Å; I670-D672 VanDerWaalsContact C-N 3.3Å; I670-D672 PolarHBondContact O-N 3.22Å; I670-E673 PolarHBondContact O-N 3.07Å; I670-L674 HydrophobicContact CG2-CD1 3.82Å; I670-L674 HydrophobicContact CG2-CG 4.36Å; I670-L674 WeakPolarHBondContact O-CB 3.2Å; I670-L674 WeakPolarHBondContact O-CG 3.26Å; I670-L674 PolarHBondContact O-N 2.7Å; I670-F715 HydrophobicContact CG2-CZ 4.39Å
671	P	78.8	Confident	74	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.7	-43.5	179.5	-18.3	30.4	0	0	0	111.3	W645 S668 D669 L674 L675 R714 F715	W645-P671 HydrophobicContact CZ2-CG 4.41Å; S668-P671 WeakPolarHBondContact O-CD 3.1Å; D669-P671 VanDerWaalsContact C-CD 3.43Å; P671-L674 PolarHBondContact O-N 2.79Å; P671-L675 WeakPolarHBondContact O-CB 3.44Å; P671-L675 WeakPolarHBondContact O-CG 3.42Å; P671-L675 PolarHBondContact O-N 3.45Å; P671-R714 HydrophobicContact CB-CB 3.87Å; P671-F715 HydrophobicContact CB-CD2 4.35Å; P671-F715 HydrophobicContact CB-CE1 4.39Å; P671-F715 HydrophobicContact CB-CE2 3.89Å; P671-F715 HydrophobicContact CB-CZ 3.92Å; P671-F715 HydrophobicContact CG-CD2 4.33Å; P671-F715 HydrophobicContact CG-CE2 3.51Å; P671-F715 HydrophobicContact CG-CZ 3.66Å
672	D	80.4	Confident	74.3	Confident	58 Å²	58	54.8 Å²	54.8	31%	0.31	26%	0.261	S	S	.	.	H	α-helix	trans	-70.2	-35.7	-178.5	-58.5	-37.8	0	0	0	111.8	D669 I670 K676 R714	D669-D672 PolarHBondContact O-N 2.87Å; D669-D672 VanDerWaalsContact O-N 3.09Å; I670-D672 VanDerWaalsContact C-N 3.3Å; I670-D672 PolarHBondContact O-N 3.22Å; D672-K676 VanDerWaalsContact O-CG 3.26Å; D672-K676 WeakPolarHBondContact O-CG 3.16Å; D672-K676 PolarHBondContact O-N 2.92Å; D672-R714 IonicContact OD1-NH1 2.66Å; D672-R714 IonicContact OD2-NH1 3.19Å; D672-R714 PolarHBondContact OD2-NH1 3.38Å
673	E	80.2	Confident	74.8	Confident	40 Å²	40	51.9 Å²	51.9	19%	0.187	25%	0.253	C	S	.	.	H	α-helix	trans	-73.3	-32.6	176.7	-72.8	-61.7	130.4	0	0	112.8	W619 I620 D669 I670 K676 R677	W619-E673 HydrophobicContact CH2-CB 4.36Å; W619-E673 HydrophobicContact CZ2-CB 3.92Å; I620-E673 HydrophobicContact CD1-CB 4.43Å; I620-E673 HydrophobicContact CD1-CG 4.31Å; D669-E673 HydrophobicContact CB-CG 4.5Å; D669-E673 WeakPolarHBondContact O-CB 3.47Å; D669-E673 WeakPolarHBondContact O-CG 3.26Å; D669-E673 PolarHBondContact O-N 3.42Å; I670-E673 PolarHBondContact O-N 3.07Å; E673-K676 IonicContact OE1-NZ 2.58Å; E673-K676 PolarHBondContact OE1-NZ 2.94Å; E673-R677 PolarHBondContact O-NH1 2.84Å; E673-R677 IonicContact OE2-CZ 2.89Å; E673-R677 IonicContact OE2-NH1 3.39Å; E673-R677 PolarHBondContact OE2-NH1 3.21Å; E673-R677 IonicContact OE2-NH2 2.72Å; E673-R677 PolarHBondContact OE2-NH2 2.91Å
674	L	78.3	Confident	75.3	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-68.3	-44.9	169.9	-73.2	169.9	0	0	0	110.7	W619 I638 I642 I670 P671 K676 R677 I678 I681 F705 F715 I718	W619-L674 HydrophobicContact CH2-CD2 3.62Å; W619-L674 HydrophobicContact CH2-CG 3.84Å; W619-L674 HydrophobicContact CZ3-CD2 3.75Å; W619-L674 HydrophobicContact CZ3-CG 4.44Å; I638-L674 HydrophobicContact CG2-CD2 4.34Å; I642-L674 HydrophobicContact CG1-CD1 4.33Å; I670-L674 HydrophobicContact CG2-CD1 3.82Å; I670-L674 HydrophobicContact CG2-CG 4.36Å; I670-L674 WeakPolarHBondContact O-CB 3.2Å; I670-L674 WeakPolarHBondContact O-CG 3.26Å; I670-L674 PolarHBondContact O-N 2.7Å; P671-L674 PolarHBondContact O-N 2.79Å; L674-K676 PolarHBondContact O-N 3.34Å; L674-R677 CarbonylContact O-C 3.59Å; L674-R677 WeakPolarHBondContact O-CA 3.19Å; L674-R677 PolarHBondContact O-N 2.88Å; L674-I678 PolarHBondContact O-N 3.48Å; L674-I678 VanDerWaalsContact O-N 3.1Å; L674-I681 HydrophobicContact CB-CD1 4.25Å; L674-I681 HydrophobicContact CD2-CD1 3.75Å; L674-F705 HydrophobicContact CD1-CE1 4.31Å; L674-F715 HydrophobicContact CD1-CE1 3.78Å; L674-I718 HydrophobicContact CB-CD1 3.77Å
675	L	77.5	Confident	75.7	Confident	49 Å²	49	48.7 Å²	48.7	26%	0.257	24%	0.238	S	C	.	.	H	α-helix	trans	-58.5	-44.4	175.5	-81.2	164	0	0	0	112.3	P671 R677 I678 I718	P671-L675 WeakPolarHBondContact O-CB 3.44Å; P671-L675 WeakPolarHBondContact O-CG 3.42Å; P671-L675 PolarHBondContact O-N 3.45Å; L675-R677 PolarHBondContact O-N 3.32Å; L675-R677 VanDerWaalsContact O-N 3.07Å; L675-I678 WeakPolarHBondContact O-CB 3.44Å; L675-I678 WeakPolarHBondContact O-CG2 3.46Å; L675-I678 PolarHBondContact O-N 3.38Å; L675-I678 VanDerWaalsContact O-N 3.13Å; L675-I718 HydrophobicContact CD2-CD1 4.11Å; L675-I718 HydrophobicContact CD2-CG1 4.02Å; L675-I718 HydrophobicContact CG-CD1 3.97Å; L675-I718 HydrophobicContact CG-CG1 4.44Å
676	K	79.5	Confident	75.7	Confident	145 Å²	145	48.4 Å²	48.4	63%	0.63	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.5	175.5	-76.2	172.9	-163.8	167.8	0	113.9	D672 E673 L674	D672-K676 VanDerWaalsContact O-CG 3.26Å; D672-K676 WeakPolarHBondContact O-CG 3.16Å; D672-K676 PolarHBondContact O-N 2.92Å; E673-K676 IonicContact OE1-NZ 2.58Å; E673-K676 PolarHBondContact OE1-NZ 2.94Å; L674-K676 PolarHBondContact O-N 3.34Å
677	R	76	Confident	75.5	Confident	50 Å²	50	46.8 Å²	46.8	19%	0.189	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	17	-178.4	-71.9	177.1	-172.2	72.1	2.1	112	I620 E673 L674 L675 D679 K680 I681	I620-R677 VanDerWaalsContact CG2-NH2 3.31Å; E673-R677 PolarHBondContact O-NH1 2.84Å; E673-R677 IonicContact OE2-CZ 2.89Å; E673-R677 IonicContact OE2-NH1 3.39Å; E673-R677 PolarHBondContact OE2-NH1 3.21Å; E673-R677 IonicContact OE2-NH2 2.72Å; E673-R677 PolarHBondContact OE2-NH2 2.91Å; L674-R677 CarbonylContact O-C 3.59Å; L674-R677 WeakPolarHBondContact O-CA 3.19Å; L674-R677 PolarHBondContact O-N 2.88Å; L675-R677 PolarHBondContact O-N 3.32Å; L675-R677 VanDerWaalsContact O-N 3.07Å; R677-D679 PolarHBondContact O-N 2.99Å; R677-D679 VanDerWaalsContact O-N 3.09Å; R677-K680 HydrophobicContact CB-CB 4.36Å; R677-K680 HydrophobicContact CG-CD 4.29Å; R677-K680 WeakPolarHBondContact O-CA 3.43Å; R677-K680 WeakPolarHBondContact O-CB 3.41Å; R677-K680 PolarHBondContact O-N 2.89Å; R677-I681 PolarHBondContact O-N 2.85Å
678	I	74.5	Confident	75.3	Confident	39 Å²	39	47 Å²	47	20%	0.2	24%	0.24	C	C	.	.	H	α-helix	trans	-53.5	-35.6	179.6	-157.7	161.9	0	0	0	111.2	L674 L675 K680 I681 L682 I718 L721	L674-I678 PolarHBondContact O-N 3.48Å; L674-I678 VanDerWaalsContact O-N 3.1Å; L675-I678 WeakPolarHBondContact O-CB 3.44Å; L675-I678 WeakPolarHBondContact O-CG2 3.46Å; L675-I678 PolarHBondContact O-N 3.38Å; L675-I678 VanDerWaalsContact O-N 3.13Å; I678-K680 PolarHBondContact O-N 2.93Å; I678-I681 PolarHBondContact O-N 2.79Å; I678-L682 VanDerWaalsContact O-CB 3.26Å; I678-L682 WeakPolarHBondContact O-CB 3.22Å; I678-L682 VanDerWaalsContact O-CG 3.31Å; I678-L682 WeakPolarHBondContact O-CG 3.29Å; I678-L682 PolarHBondContact O-N 2.72Å; I678-I718 HydrophobicContact CD1-CG1 4.12Å; I678-L721 HydrophobicContact CD1-CD1 4.07Å; I678-L721 HydrophobicContact CG1-CD1 4.23Å
679	D	74.8	Confident	74.7	Confident	123 Å²	123	47.4 Å²	47.4	66%	0.658	24%	0.243	S	C	*	.	H	α-helix	trans	-63.4	-37.7	174.7	-60.4	-26.5	0	0	0	113.3	R677 S683	R677-D679 PolarHBondContact O-N 2.99Å; R677-D679 VanDerWaalsContact O-N 3.09Å; D679-S683 WeakPolarHBondContact O-CB 3.46Å; D679-S683 PolarHBondContact O-N 2.95Å
680	K	75.6	Confident	73.9	Confident	91 Å²	91	51.4 Å²	51.4	40%	0.396	26%	0.263	S	S	.	.	H	α-helix	trans	-74.9	-36.6	176	-70.6	-175.4	172.5	-175.4	0	111.7	D624 I627 R677 I678 L682 S683 L684	D624-K680 VanDerWaalsContact OD1-CD 3.32Å; D624-K680 WeakPolarHBondContact OD1-CD 3.43Å; D624-K680 IonicContact OD1-NZ 3.41Å; D624-K680 PolarHBondContact OD1-NZ 3.4Å; D624-K680 IonicContact OD2-NZ 3.97Å; D624-K680 PolarHBondContact OD2-NZ 3.08Å; I627-K680 HydrophobicContact CD1-CB 4.14Å; R677-K680 HydrophobicContact CB-CB 4.36Å; R677-K680 HydrophobicContact CG-CD 4.29Å; R677-K680 WeakPolarHBondContact O-CA 3.43Å; R677-K680 WeakPolarHBondContact O-CB 3.41Å; R677-K680 PolarHBondContact O-N 2.89Å; I678-K680 PolarHBondContact O-N 2.93Å; K680-L682 VanDerWaalsContact C-N 3.31Å; K680-S683 PolarHBondContact O-N 3.47Å; K680-L684 WeakPolarHBondContact O-CB 3.49Å; K680-L684 PolarHBondContact O-N 3.05Å
681	I	73.2	Confident	72.7	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-66.3	-39.1	174.1	-65.2	171	0	0	0	109.5	L674 R677 I678 L684 F685	L674-I681 HydrophobicContact CB-CD1 4.25Å; L674-I681 HydrophobicContact CD2-CD1 3.75Å; R677-I681 PolarHBondContact O-N 2.85Å; I678-I681 PolarHBondContact O-N 2.79Å; I681-L684 CarbonylContact O-C 3.57Å; I681-L684 WeakPolarHBondContact O-CB 3.45Å; I681-L684 PolarHBondContact O-N 2.86Å; I681-F685 HydrophobicContact CG2-CD2 4.04Å; I681-F685 HydrophobicContact CG2-CE1 4.11Å; I681-F685 HydrophobicContact CG2-CE2 3.36Å; I681-F685 HydrophobicContact CG2-CZ 3.38Å; I681-F685 WeakPolarHBondContact O-CD2 3.42Å; I681-F685 VanDerWaalsContact O-CG 3.22Å; I681-F685 WeakPolarHBondContact O-CG 3.44Å; I681-F685 PolarHBondContact O-N 3.42Å
682	L	74.6	Confident	71.4	Confident	58 Å²	58	59.1 Å²	59.1	30%	0.304	30%	0.297	S	S	.	.	H	α-helix	trans	-63.2	-47.4	171.4	-84.1	168.1	0	0	0	111.4	I678 K680 L684 F685 E686 L721	I678-L682 VanDerWaalsContact O-CB 3.26Å; I678-L682 WeakPolarHBondContact O-CB 3.22Å; I678-L682 VanDerWaalsContact O-CG 3.31Å; I678-L682 WeakPolarHBondContact O-CG 3.29Å; I678-L682 PolarHBondContact O-N 2.72Å; K680-L682 VanDerWaalsContact C-N 3.31Å; L682-L684 VanDerWaalsContact C-N 3.25Å; L682-L684 PolarHBondContact O-N 3.28Å; L682-F685 CarbonylContact O-C 3.57Å; L682-F685 WeakPolarHBondContact O-CA 3.44Å; L682-F685 PolarHBondContact O-N 2.99Å; L682-E686 WeakPolarHBondContact O-CG 3.18Å; L682-E686 PolarHBondContact O-N 2.99Å; L682-L721 HydrophobicContact CD1-CD1 4.19Å; L682-L721 HydrophobicContact CD2-CD1 3.94Å; L682-L721 HydrophobicContact CD2-CD2 3.7Å; L682-L721 HydrophobicContact CD2-CG 4.13Å; L682-L721 HydrophobicContact CG-CD1 4.19Å; L682-L721 HydrophobicContact CG-CD2 4.13Å
683	S	73.7	Confident	70	Confident	51 Å²	51	57.1 Å²	57.1	36%	0.357	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-36.9	174	179.7	0	0	0	0	111.5	D679 K680 F685 E686 V687	D679-S683 WeakPolarHBondContact O-CB 3.46Å; D679-S683 PolarHBondContact O-N 2.95Å; K680-S683 PolarHBondContact O-N 3.47Å; S683-F685 VanDerWaalsContact C-N 3.34Å; S683-E686 PolarHBondContact O-N 2.92Å; S683-V687 WeakPolarHBondContact O-CB 3.31Å; S683-V687 WeakPolarHBondContact O-CG2 3.49Å; S683-V687 PolarHBondContact O-N 3.18Å
684	L	73.8	Confident	68.8	Low	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-42.2	171.6	173.3	66.9	0	0	0	110.7	I627 P631 C634 I635 I638 K680 I681 L682 V687 A688	I627-L684 HydrophobicContact CB-CD1 4.45Å; I627-L684 HydrophobicContact CG1-CB 4.14Å; I627-L684 HydrophobicContact CG1-CD1 4.07Å; I627-L684 HydrophobicContact CG1-CD2 4.37Å; I627-L684 HydrophobicContact CG1-CG 4.42Å; I627-L684 HydrophobicContact CG2-CB 4.36Å; I627-L684 HydrophobicContact CG2-CD1 4.47Å; P631-L684 HydrophobicContact CB-CD1 3.83Å; C634-L684 HydrophobicContact CB-CD1 3.89Å; C634-L684 HydrophobicContact CB-CD2 4.11Å; I635-L684 HydrophobicContact CG1-CD2 3.92Å; I635-L684 HydrophobicContact CG1-CG 4.24Å; I638-L684 HydrophobicContact CD1-CD2 3.57Å; K680-L684 WeakPolarHBondContact O-CB 3.49Å; K680-L684 PolarHBondContact O-N 3.05Å; I681-L684 CarbonylContact O-C 3.57Å; I681-L684 WeakPolarHBondContact O-CB 3.45Å; I681-L684 PolarHBondContact O-N 2.86Å; L682-L684 VanDerWaalsContact C-N 3.25Å; L682-L684 PolarHBondContact O-N 3.28Å; L684-V687 PolarHBondContact O-N 2.93Å; L684-A688 WeakPolarHBondContact O-CA 3.08Å; L684-A688 WeakPolarHBondContact O-CB 3.48Å; L684-A688 PolarHBondContact O-N 2.92Å
685	F	74.4	Confident	67.9	Low	1 Å²	1	56.7 Å²	56.7	0%	0.004	29%	0.294	C	S	.	.	H	α-helix	trans	-67.9	-37.3	175.3	-63.1	-27.5	0	0	0	112.1	I681 L682 S683 A688 S689 L698 L701 L721 V722 F725	I681-F685 HydrophobicContact CG2-CD2 4.04Å; I681-F685 HydrophobicContact CG2-CE1 4.11Å; I681-F685 HydrophobicContact CG2-CE2 3.36Å; I681-F685 HydrophobicContact CG2-CZ 3.38Å; I681-F685 WeakPolarHBondContact O-CD2 3.42Å; I681-F685 VanDerWaalsContact O-CG 3.22Å; I681-F685 WeakPolarHBondContact O-CG 3.44Å; I681-F685 PolarHBondContact O-N 3.42Å; L682-F685 CarbonylContact O-C 3.57Å; L682-F685 WeakPolarHBondContact O-CA 3.44Å; L682-F685 PolarHBondContact O-N 2.99Å; S683-F685 VanDerWaalsContact C-N 3.34Å; F685-A688 CarbonylContact O-C 3.52Å; F685-A688 PolarHBondContact O-N 3.05Å; F685-S689 WeakPolarHBondContact O-CA 3.49Å; F685-S689 VanDerWaalsContact O-CB 3.28Å; F685-S689 WeakPolarHBondContact O-CB 3.46Å; F685-S689 PolarHBondContact O-N 3.28Å; F685-L698 HydrophobicContact CD1-CD2 3.65Å; F685-L698 HydrophobicContact CE1-CD2 3.57Å; F685-L698 HydrophobicContact CZ-CD2 4.46Å; F685-L701 HydrophobicContact CE1-CD2 3.57Å; F685-L701 HydrophobicContact CZ-CD2 3.57Å; F685-L721 HydrophobicContact CD2-CD2 3.99Å; F685-L721 HydrophobicContact CE2-CD2 3.85Å; F685-V722 HydrophobicContact CE2-CG2 3.62Å; F685-V722 HydrophobicContact CZ-CG2 3.61Å; F685-F725 HydrophobicContact CB-CD1 4.37Å; F685-F725 HydrophobicContact CB-CD2 4.01Å; F685-F725 HydrophobicContact CB-CE1 4.12Å; F685-F725 HydrophobicContact CB-CE2 3.75Å; F685-F725 HydrophobicContact CB-CG 4.31Å; F685-F725 HydrophobicContact CB-CZ 3.81Å; F685-F725 WeakPolarHBondContact O-CZ 3.35Å
686	E	71	Confident	66.9	Low	123 Å²	123	60.5 Å²	60.5	58%	0.575	31%	0.306	S	S	*	.	H	α-helix	trans	-64	-44.1	172.1	-71.6	176.9	173.4	0	0	111.1	L682 S683 S689 L690	L682-E686 WeakPolarHBondContact O-CG 3.18Å; L682-E686 PolarHBondContact O-N 2.99Å; S683-E686 PolarHBondContact O-N 2.92Å; E686-S689 WeakPolarHBondContact O-CB 3.49Å; E686-S689 PolarHBondContact O-N 2.93Å; E686-S689 PolarHBondContact O-OG 2.9Å; E686-L690 WeakPolarHBondContact O-CG 3.22Å; E686-L690 PolarHBondContact O-N 3.47Å
687	V	66.9	Low	66.2	Low	53 Å²	53	55 Å²	55	32%	0.321	28%	0.283	S	S	.	.	H	α-helix	trans	-67.4	-40.5	175.4	174.3	0	0	0	0	110.8	P631 S683 L684 S689 L690 D691	P631-V687 HydrophobicContact CB-CG1 4.29Å; P631-V687 HydrophobicContact CG-CG1 3.66Å; S683-V687 WeakPolarHBondContact O-CB 3.31Å; S683-V687 WeakPolarHBondContact O-CG2 3.49Å; S683-V687 PolarHBondContact O-N 3.18Å; L684-V687 PolarHBondContact O-N 2.93Å; V687-S689 VanDerWaalsContact C-N 3.27Å; V687-S689 PolarHBondContact O-N 2.93Å; V687-L690 CarbonylContact O-C 3.6Å; V687-L690 WeakPolarHBondContact O-CA 3.49Å; V687-L690 VanDerWaalsContact O-CB 3.3Å; V687-L690 WeakPolarHBondContact O-CB 3.41Å; V687-L690 PolarHBondContact O-N 3.46Å; V687-D691 PolarHBondContact O-N 2.8Å
688	A	65.3	Low	65.9	Low	4 Å²	4	53.9 Å²	53.9	3%	0.033	28%	0.28	C	S	.	.	H	α-helix	trans	-70.5	-21.2	174.6	0	0	0	0	0	112.9	P631 I635 L684 F685 L690 D691 A694	P631-A688 HydrophobicContact CB-CB 4.37Å; I635-A688 HydrophobicContact CD1-CB 3.72Å; L684-A688 WeakPolarHBondContact O-CA 3.08Å; L684-A688 WeakPolarHBondContact O-CB 3.48Å; L684-A688 PolarHBondContact O-N 2.92Å; F685-A688 CarbonylContact O-C 3.52Å; F685-A688 PolarHBondContact O-N 3.05Å; A688-L690 PolarHBondContact O-N 3.47Å; A688-D691 CarbonylContact O-C 3.56Å; A688-D691 PolarHBondContact O-N 3.29Å; A688-A694 HydrophobicContact CB-CB 3.54Å
689	S	63.1	Low	65.6	Low	53 Å²	53	54 Å²	54	37%	0.371	28%	0.284	S	S	.	.	H	α-helix	trans	-69	-25.9	170	84.1	0	0	0	0	111	F685 E686 V687	F685-S689 WeakPolarHBondContact O-CA 3.49Å; F685-S689 VanDerWaalsContact O-CB 3.28Å; F685-S689 WeakPolarHBondContact O-CB 3.46Å; F685-S689 PolarHBondContact O-N 3.28Å; E686-S689 WeakPolarHBondContact O-CB 3.49Å; E686-S689 PolarHBondContact O-N 2.93Å; E686-S689 PolarHBondContact O-OG 2.9Å; V687-S689 VanDerWaalsContact C-N 3.27Å; V687-S689 PolarHBondContact O-N 2.93Å
690	L	60.3	Low	65.3	Low	134 Å²	134	50.4 Å²	50.4	70%	0.702	27%	0.265	S	S	*	.	H	α-helix	trans	-88	-30.3	172.8	-54.8	169.2	0	0	0	111.1	E686 V687 A688	E686-L690 WeakPolarHBondContact O-CG 3.22Å; E686-L690 PolarHBondContact O-N 3.47Å; V687-L690 CarbonylContact O-C 3.6Å; V687-L690 WeakPolarHBondContact O-CA 3.49Å; V687-L690 VanDerWaalsContact O-CB 3.3Å; V687-L690 WeakPolarHBondContact O-CB 3.41Å; V687-L690 PolarHBondContact O-N 3.46Å; A688-L690 PolarHBondContact O-N 3.47Å
691	D	55.7	Low	65.4	Low	43 Å²	43	46 Å²	46	23%	0.23	25%	0.246	C	C	.	.			trans	-96.5	87.4	175.2	178.5	5.6	0	0	0	111.3	P631 V687 A688 S693 A694	P631-D691 HydrophobicContact CB-CB 4.47Å; P631-D691 WeakPolarHBondContact CD-OD2 3.42Å; P631-D691 HydrophobicContact CG-CB 4.22Å; P631-D691 WeakPolarHBondContact CG-OD2 3.19Å; V687-D691 PolarHBondContact O-N 2.8Å; A688-D691 CarbonylContact O-C 3.56Å; A688-D691 PolarHBondContact O-N 3.29Å; D691-S693 VanDerWaalsContact CG-OG 3.22Å; D691-S693 PolarHBondContact O-N 2.95Å; D691-S693 VanDerWaalsContact OD1-CB 3.25Å; D691-S693 WeakPolarHBondContact OD1-CB 3.33Å; D691-S693 PolarHBondContact OD1-N 2.93Å; D691-S693 PolarHBondContact OD1-OG 3.37Å; D691-S693 PolarHBondContact OD2-OG 3.28Å; D691-A694 VanDerWaalsContact O-CB 3.28Å; D691-A694 WeakPolarHBondContact O-CB 3.32Å; D691-A694 PolarHBondContact O-N 2.87Å
692	Y	49.8	Very low	65.6	Low	120 Å²	120	51 Å²	51	47%	0.471	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-12.9	-177.1	-68.1	-76.5	0	0	0	114.4	T191 D193 A694 G695	T191-Y692 WeakPolarHBondContact CB-O 3.32Å; T191-Y692 WeakPolarHBondContact CG2-O 3.15Å; T191-Y692 PolarHBondContact OG1-O 3.48Å; D193-Y692 HydrophobicContact CB-CD1 4.35Å; Y692-A694 PolarHBondContact O-N 2.99Å; Y692-G695 PolarHBondContact O-N 3.23Å
693	S	51.1	Low	65.7	Low	15 Å²	15	52 Å²	52	11%	0.105	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.5	172.7	75.1	0	0	0	0	112.8	T191 S632 D691 G695 H697	T191-S693 VanDerWaalsContact OG1-CA 3.26Å; T191-S693 WeakPolarHBondContact OG1-CA 3.38Å; T191-S693 PolarHBondContact OG1-N 3.07Å; T191-S693 VanDerWaalsContact OG1-N 3.11Å; S632-S693 WeakPolarHBondContact CB-OG 3.48Å; S632-S693 PolarHBondContact OG-OG 3.33Å; D691-S693 VanDerWaalsContact CG-OG 3.22Å; D691-S693 PolarHBondContact O-N 2.95Å; D691-S693 VanDerWaalsContact OD1-CB 3.25Å; D691-S693 WeakPolarHBondContact OD1-CB 3.33Å; D691-S693 PolarHBondContact OD1-N 2.93Å; D691-S693 PolarHBondContact OD1-OG 3.37Å; D691-S693 PolarHBondContact OD2-OG 3.28Å; S693-G695 PolarHBondContact O-N 3.43Å; S693-H697 PolarHBondContact O-CD2 3.47Å
694	A	55.8	Low	65.9	Low	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-70.5	-21.3	-175.3	0	0	0	0	0	115.1	I635 A688 D691 Y692 Y696 H697 L698	I635-A694 HydrophobicContact CD1-CB 3.52Å; A688-A694 HydrophobicContact CB-CB 3.54Å; D691-A694 VanDerWaalsContact O-CB 3.28Å; D691-A694 WeakPolarHBondContact O-CB 3.32Å; D691-A694 PolarHBondContact O-N 2.87Å; Y692-A694 PolarHBondContact O-N 2.99Å; A694-Y696 VanDerWaalsContact C-N 3.34Å; A694-Y696 PolarHBondContact O-N 3.44Å; A694-H697 CarbonylContact O-C 3.48Å; A694-H697 WeakPolarHBondContact O-CA 3.12Å; A694-H697 WeakPolarHBondContact O-CB 3.44Å; A694-H697 PolarHBondContact O-N 2.88Å; A694-L698 HydrophobicContact CB-CD1 4.24Å; A694-L698 HydrophobicContact CB-CG 4.44Å; A694-L698 WeakPolarHBondContact O-CB 3.35Å; A694-L698 WeakPolarHBondContact O-CG 3.41Å; A694-L698 PolarHBondContact O-N 3.17Å
695	G	58.6	Low	66.3	Low	35 Å²	35	49.8 Å²	49.8	36%	0.361	26%	0.255	S	S	.	.	H	α-helix	trans	-54	-42.1	-171.3	0	0	0	0	0	114.9	Y692 S693 L698 S699	Y692-G695 PolarHBondContact O-N 3.23Å; S693-G695 PolarHBondContact O-N 3.43Å; G695-L698 WeakPolarHBondContact O-CB 3.37Å; G695-L698 PolarHBondContact O-N 2.82Å; G695-S699 PolarHBondContact O-N 2.79Å
696	Y	58	Low	66.7	Low	128 Å²	128	52.2 Å²	52.2	50%	0.502	27%	0.27	S	S	.	.	H	α-helix	trans	-72.1	-40.4	174.9	173.9	-101.4	0	0	0	112.6	A694 L698 S699 N700	A694-Y696 VanDerWaalsContact C-N 3.34Å; A694-Y696 PolarHBondContact O-N 3.44Å; Y696-L698 PolarHBondContact O-N 2.96Å; Y696-S699 PolarHBondContact O-N 3.29Å; Y696-S699 PolarHBondContact O-OG 3.04Å; Y696-N700 WeakPolarHBondContact CE1-ND2 3.43Å; Y696-N700 PolarHBondContact O-N 3.42Å; Y696-N700 PolarHBondContact OH-ND2 2.92Å
697	H	64.9	Low	67.2	Low	30 Å²	30	49.9 Å²	49.9	14%	0.139	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-32.7	176.5	-62.8	-75.2	0	0	0	110.6	I635 E636 S693 A694 L701	I635-H697 HydrophobicContact CB-CB 3.97Å; I635-H697 VanDerWaalsContact CG2-C 3.48Å; I635-H697 HydrophobicContact CG2-CB 3.55Å; I635-H697 WeakPolarHBondContact CG2-O 2.86Å; E636-H697 IonicContact OE2-CE1 2.81Å; E636-H697 PolarHBondContact OE2-CE1 2.72Å; E636-H697 IonicContact OE2-ND1 2.7Å; S693-H697 PolarHBondContact O-CD2 3.47Å; A694-H697 CarbonylContact O-C 3.48Å; A694-H697 WeakPolarHBondContact O-CA 3.12Å; A694-H697 WeakPolarHBondContact O-CB 3.44Å; A694-H697 PolarHBondContact O-N 2.88Å; H697-L701 WeakPolarHBondContact O-CB 3.33Å; H697-L701 PolarHBondContact O-N 3.25Å
698	L	69.4	Low	67.9	Low	26 Å²	26	47.3 Å²	47.3	14%	0.136	24%	0.244	C	C	.	.	H	α-helix	trans	-66.8	-39.6	173.7	-73.4	167.6	0	0	0	112.4	I635 F685 A694 G695 Y696 L701 R702 F725	I635-L698 HydrophobicContact CD1-CD2 4.01Å; I635-L698 HydrophobicContact CD1-CG 4.11Å; F685-L698 HydrophobicContact CD1-CD2 3.65Å; F685-L698 HydrophobicContact CE1-CD2 3.57Å; F685-L698 HydrophobicContact CZ-CD2 4.46Å; A694-L698 HydrophobicContact CB-CD1 4.24Å; A694-L698 HydrophobicContact CB-CG 4.44Å; A694-L698 WeakPolarHBondContact O-CB 3.35Å; A694-L698 WeakPolarHBondContact O-CG 3.41Å; A694-L698 PolarHBondContact O-N 3.17Å; G695-L698 WeakPolarHBondContact O-CB 3.37Å; G695-L698 PolarHBondContact O-N 2.82Å; Y696-L698 PolarHBondContact O-N 2.96Å; L698-L701 HydrophobicContact CD2-CD2 4.28Å; L698-L701 WeakPolarHBondContact O-CB 3.1Å; L698-L701 PolarHBondContact O-N 3.31Å; L698-R702 VanDerWaalsContact O-CB 3.29Å; L698-R702 WeakPolarHBondContact O-CB 3.36Å; L698-R702 PolarHBondContact O-N 3.23Å; L698-F725 HydrophobicContact CD1-CD1 4.22Å; L698-F725 HydrophobicContact CD1-CE1 3.76Å
699	S	68.3	Low	68.8	Low	41 Å²	41	48.1 Å²	48.1	29%	0.287	25%	0.25	S	S	.	.	H	α-helix	trans	-65	-44.4	175.3	66.4	0	0	0	0	111.7	G695 Y696 L701 R702 D703	G695-S699 PolarHBondContact O-N 2.79Å; Y696-S699 PolarHBondContact O-N 3.29Å; Y696-S699 PolarHBondContact O-OG 3.04Å; S699-L701 VanDerWaalsContact C-N 3.29Å; S699-L701 PolarHBondContact O-N 2.86Å; S699-R702 WeakPolarHBondContact O-CB 3.39Å; S699-R702 PolarHBondContact O-N 2.94Å; S699-D703 VanDerWaalsContact O-CG 3.23Å; S699-D703 PolarHBondContact O-N 2.85Å
700	N	68.5	Low	69.8	Low	48 Å²	48	52 Å²	52	26%	0.257	27%	0.267	S	S	.	.	H	α-helix	trans	-63.3	-37.2	174.9	-74.8	-14.6	0	0	0	112	C639 Y696 A704	C639-N700 PolarHBondContact SG-O 3.09Å; Y696-N700 WeakPolarHBondContact CE1-ND2 3.43Å; Y696-N700 PolarHBondContact O-N 3.42Å; Y696-N700 PolarHBondContact OH-ND2 2.92Å; N700-A704 WeakPolarHBondContact O-CB 3.29Å; N700-A704 PolarHBondContact O-N 3.33Å
701	L	76.2	Confident	70.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.4	-45	175.1	-173.1	76.9	0	0	0	111	I635 I638 C639 I642 F685 H697 L698 S699 A704 F705 V722	I635-L701 HydrophobicContact CG2-CB 3.92Å; I635-L701 HydrophobicContact CG2-CD1 4.35Å; I635-L701 HydrophobicContact CG2-CD2 3.97Å; I635-L701 HydrophobicContact CG2-CG 4.28Å; I638-L701 HydrophobicContact CB-CD1 4.03Å; I638-L701 HydrophobicContact CG2-CD1 3.69Å; C639-L701 HydrophobicContact CB-CD1 3.96Å; I642-L701 HydrophobicContact CD1-CD1 3.82Å; F685-L701 HydrophobicContact CE1-CD2 3.57Å; F685-L701 HydrophobicContact CZ-CD2 3.57Å; H697-L701 WeakPolarHBondContact O-CB 3.33Å; H697-L701 PolarHBondContact O-N 3.25Å; L698-L701 HydrophobicContact CD2-CD2 4.28Å; L698-L701 WeakPolarHBondContact O-CB 3.1Å; L698-L701 PolarHBondContact O-N 3.31Å; S699-L701 VanDerWaalsContact C-N 3.29Å; S699-L701 PolarHBondContact O-N 2.86Å; L701-A704 PolarHBondContact O-N 3.45Å; L701-F705 HydrophobicContact CD1-CD2 4.1Å; L701-F705 HydrophobicContact CD1-CE2 3.69Å; L701-F705 HydrophobicContact CD2-CD2 4.23Å; L701-F705 HydrophobicContact CD2-CE2 3.85Å; L701-F705 HydrophobicContact CG-CD2 3.69Å; L701-F705 HydrophobicContact CG-CE2 3.6Å; L701-F705 VanDerWaalsContact O-CD2 3.3Å; L701-F705 WeakPolarHBondContact O-CD2 3.09Å; L701-F705 PolarHBondContact O-N 2.74Å; L701-V722 HydrophobicContact CD2-CG1 4.23Å; L701-V722 HydrophobicContact CD2-CG2 4.38Å
702	R	77.8	Confident	72.1	Confident	108 Å²	108	46.9 Å²	46.9	41%	0.408	24%	0.24	S	C	.	.	H	α-helix	trans	-57.4	-52	176.7	-176.3	-163.5	70.1	-175.4	0.7	110.3	L698 S699 A704 F705 T706 V722	L698-R702 VanDerWaalsContact O-CB 3.29Å; L698-R702 WeakPolarHBondContact O-CB 3.36Å; L698-R702 PolarHBondContact O-N 3.23Å; S699-R702 WeakPolarHBondContact O-CB 3.39Å; S699-R702 PolarHBondContact O-N 2.94Å; R702-A704 VanDerWaalsContact C-N 3.3Å; R702-A704 PolarHBondContact O-N 3.36Å; R702-F705 PolarHBondContact O-N 3.36Å; R702-F705 VanDerWaalsContact O-N 3.13Å; R702-T706 WeakPolarHBondContact O-CB 3.28Å; R702-T706 PolarHBondContact O-N 3.49Å; R702-T706 PolarHBondContact O-OG1 2.85Å; R702-V722 HydrophobicContact CB-CG1 3.88Å; R702-V722 HydrophobicContact CG-CG1 4.37Å
703	D	76.4	Confident	73.7	Confident	79 Å²	79	46.7 Å²	46.7	42%	0.422	25%	0.252	S	S	.	.	H	α-helix	trans	-62.5	-40.2	-178.3	-61.8	-12.9	0	0	0	110.9	S699 T706 E707	S699-D703 VanDerWaalsContact O-CG 3.23Å; S699-D703 PolarHBondContact O-N 2.85Å; D703-T706 PolarHBondContact O-N 3.11Å; D703-E707 WeakPolarHBondContact O-CB 3.43Å; D703-E707 PolarHBondContact O-N 3.35Å
704	A	78.6	Confident	75.2	Confident	4 Å²	4	49.9 Å²	49.9	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-63.2	-43.2	173.5	0	0	0	0	0	112.4	I642 K643 I646 N700 L701 R702 E707 A708	I642-A704 HydrophobicContact CB-CB 4.34Å; I642-A704 HydrophobicContact CG2-CB 3.95Å; K643-A704 HydrophobicContact CG-CB 4.49Å; I646-A704 WeakPolarHBondContact CD1-O 3.32Å; N700-A704 WeakPolarHBondContact O-CB 3.29Å; N700-A704 PolarHBondContact O-N 3.33Å; L701-A704 PolarHBondContact O-N 3.45Å; R702-A704 VanDerWaalsContact C-N 3.3Å; R702-A704 PolarHBondContact O-N 3.36Å; A704-E707 PolarHBondContact O-N 2.85Å; A704-A708 VanDerWaalsContact O-CB 3.31Å; A704-A708 WeakPolarHBondContact O-CB 3.28Å; A704-A708 PolarHBondContact O-N 3.45Å
705	F	82.5	Confident	76.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.9	-36.8	176.1	-87.6	-63.6	0	0	0	112.8	I638 I642 L674 L701 R702 A708 A709 F715 I718 V722	I638-F705 HydrophobicContact CG2-CZ 4.4Å; I642-F705 HydrophobicContact CD1-CD1 3.78Å; I642-F705 HydrophobicContact CD1-CD2 3.67Å; I642-F705 HydrophobicContact CD1-CE1 3.44Å; I642-F705 VanDerWaalsContact CD1-CE1 3.44Å; I642-F705 HydrophobicContact CD1-CE2 3.34Å; I642-F705 HydrophobicContact CD1-CG 3.89Å; I642-F705 HydrophobicContact CD1-CZ 3.21Å; I642-F705 HydrophobicContact CG1-CE1 4.11Å; I642-F705 HydrophobicContact CG1-CZ 4.21Å; L674-F705 HydrophobicContact CD1-CE1 4.31Å; L701-F705 HydrophobicContact CD1-CD2 4.1Å; L701-F705 HydrophobicContact CD1-CE2 3.69Å; L701-F705 HydrophobicContact CD2-CD2 4.23Å; L701-F705 HydrophobicContact CD2-CE2 3.85Å; L701-F705 HydrophobicContact CG-CD2 3.69Å; L701-F705 HydrophobicContact CG-CE2 3.6Å; L701-F705 VanDerWaalsContact O-CD2 3.3Å; L701-F705 WeakPolarHBondContact O-CD2 3.09Å; L701-F705 PolarHBondContact O-N 2.74Å; R702-F705 PolarHBondContact O-N 3.36Å; R702-F705 VanDerWaalsContact O-N 3.13Å; F705-A708 PolarHBondContact O-N 2.84Å; F705-A709 WeakPolarHBondContact O-CB 3.41Å; F705-A709 PolarHBondContact O-N 3.16Å; F705-F715 AromaticContact CD1-CD1 3.69Å; F705-F715 HydrophobicContact CD1-CD1 3.69Å; F705-F715 HydrophobicContact CD1-CE1 4.32Å; F705-F715 AromaticContact CE1-CD1 3.71Å; F705-F715 HydrophobicContact CE1-CD1 3.71Å; F705-F715 HydrophobicContact CE1-CE1 4.03Å; F705-I718 HydrophobicContact CD1-CB 4.28Å; F705-I718 HydrophobicContact CD1-CG2 3.9Å; F705-I718 HydrophobicContact CD2-CG2 4.38Å; F705-I718 HydrophobicContact CE1-CB 3.97Å; F705-I718 HydrophobicContact CE1-CD1 4.38Å; F705-I718 HydrophobicContact CE1-CG2 3.36Å; F705-I718 HydrophobicContact CE2-CG2 3.9Å; F705-I718 HydrophobicContact CG-CG2 4.39Å; F705-I718 HydrophobicContact CZ-CB 4.43Å; F705-I718 HydrophobicContact CZ-CG2 3.35Å; F705-V722 HydrophobicContact CD2-CB 4.3Å; F705-V722 HydrophobicContact CD2-CG1 4.24Å; F705-V722 HydrophobicContact CD2-CG2 3.71Å; F705-V722 HydrophobicContact CE2-CG2 3.81Å
706	T	81.7	Confident	77.7	Confident	52 Å²	52	50.8 Å²	50.8	32%	0.319	26%	0.262	S	S	.	.	H	α-helix	trans	-64.4	-45.3	175.8	-61.8	0	0	0	0	110.4	R702 D703 A708 A709 N710	R702-T706 WeakPolarHBondContact O-CB 3.28Å; R702-T706 PolarHBondContact O-N 3.49Å; R702-T706 PolarHBondContact O-OG1 2.85Å; D703-T706 PolarHBondContact O-N 3.11Å; T706-A708 PolarHBondContact O-N 3.2Å; T706-A709 PolarHBondContact O-N 2.81Å; T706-N710 VanDerWaalsContact O-CG 3.22Å; T706-N710 PolarHBondContact O-N 2.87Å; T706-N710 PolarHBondContact O-ND2 3.24Å
707	E	81.4	Confident	78.6	Confident	74 Å²	74	50 Å²	50	35%	0.346	27%	0.267	S	S	.	.	H	α-helix	trans	-61.3	-43.9	173.4	-173.3	179.3	179.3	0	0	111.6	I646 K650 D703 A704 A709 N710 L711	I646-E707 HydrophobicContact CD1-CB 3.97Å; I646-E707 HydrophobicContact CD1-CG 3.98Å; I646-E707 HydrophobicContact CG2-CG 4.34Å; I646-E707 WeakPolarHBondContact CG2-OE1 2.87Å; K650-E707 WeakPolarHBondContact CE-OE1 3.44Å; K650-E707 IonicContact NZ-OE1 2.94Å; K650-E707 PolarHBondContact NZ-OE1 2.69Å; D703-E707 WeakPolarHBondContact O-CB 3.43Å; D703-E707 PolarHBondContact O-N 3.35Å; A704-E707 PolarHBondContact O-N 2.85Å; E707-A709 PolarHBondContact O-N 3.47Å; E707-N710 PolarHBondContact O-N 3.34Å; E707-L711 WeakPolarHBondContact O-CG 3.5Å; E707-L711 PolarHBondContact O-N 3.48Å
708	A	83.3	Confident	79.2	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.3	-39.3	177.3	0	0	0	0	0	112.6	I642 W645 I646 A704 F705 T706 N710 L711 D712 F715	I642-A708 HydrophobicContact CG2-CB 3.79Å; W645-A708 HydrophobicContact CE3-CB 4.06Å; W645-A708 HydrophobicContact CZ3-CB 3.89Å; I646-A708 HydrophobicContact CD1-CB 4.2Å; I646-A708 HydrophobicContact CG1-CB 4.06Å; A704-A708 VanDerWaalsContact O-CB 3.31Å; A704-A708 WeakPolarHBondContact O-CB 3.28Å; A704-A708 PolarHBondContact O-N 3.45Å; F705-A708 PolarHBondContact O-N 2.84Å; T706-A708 PolarHBondContact O-N 3.2Å; A708-N710 VanDerWaalsContact C-N 3.32Å; A708-N710 PolarHBondContact O-N 2.82Å; A708-L711 WeakPolarHBondContact O-CB 3.13Å; A708-L711 PolarHBondContact O-N 3.01Å; A708-D712 PolarHBondContact O-N 2.81Å; A708-F715 HydrophobicContact CB-CB 4.21Å; A708-F715 HydrophobicContact CB-CD1 4.17Å; A708-F715 HydrophobicContact CB-CD2 3.74Å; A708-F715 HydrophobicContact CB-CE1 4.44Å; A708-F715 HydrophobicContact CB-CE2 4.05Å; A708-F715 HydrophobicContact CB-CG 3.78Å; A708-F715 HydrophobicContact CB-CZ 4.39Å
709	A	84.3	Confident	79.7	Confident	20 Å²	20	48 Å²	48	17%	0.165	26%	0.258	C	S	.	.	H	α-helix	trans	-67.5	-31.3	177.1	0	0	0	0	0	112.8	F705 T706 E707 L711 F715	F705-A709 WeakPolarHBondContact O-CB 3.41Å; F705-A709 PolarHBondContact O-N 3.16Å; T706-A709 PolarHBondContact O-N 2.81Å; E707-A709 PolarHBondContact O-N 3.47Å; A709-L711 PolarHBondContact O-N 3.32Å; A709-F715 HydrophobicContact CB-CB 4.06Å
710	N	83.2	Confident	80.2	Confident	134 Å²	134	48.3 Å²	48.3	72%	0.717	26%	0.258	S	S	*	.	H	α-helix	trans	-68.4	-23.2	171.6	-69.8	-21.1	0	0	0	112.4	T706 E707 A708	T706-N710 VanDerWaalsContact O-CG 3.22Å; T706-N710 PolarHBondContact O-N 2.87Å; T706-N710 PolarHBondContact O-ND2 3.24Å; E707-N710 PolarHBondContact O-N 3.34Å; A708-N710 VanDerWaalsContact C-N 3.32Å; A708-N710 PolarHBondContact O-N 2.82Å
711	L	82.4	Confident	80.5	Confident	49 Å²	49	48.2 Å²	48.2	26%	0.257	26%	0.257	S	S	.	.	H	α-helix	trans	-93.6	-39	179.3	-68	173.5	0	0	0	113.1	W645 I646 Y649 K650 E707 A708 A709	W645-L711 HydrophobicContact CH2-CB 4.09Å; W645-L711 HydrophobicContact CZ3-CB 4.08Å; W645-L711 HydrophobicContact CZ3-CD1 4.36Å; I646-L711 HydrophobicContact CB-CD1 4.37Å; I646-L711 HydrophobicContact CG1-CD1 4.26Å; I646-L711 HydrophobicContact CG2-CD1 3.86Å; Y649-L711 HydrophobicContact CD1-CB 3.73Å; Y649-L711 HydrophobicContact CD1-CD1 4.19Å; Y649-L711 HydrophobicContact CD1-CD2 4.15Å; Y649-L711 HydrophobicContact CD1-CG 4.24Å; Y649-L711 HydrophobicContact CE1-CB 3.73Å; Y649-L711 HydrophobicContact CE1-CD2 4.22Å; Y649-L711 HydrophobicContact CE1-CG 4.48Å; Y649-L711 WeakPolarHBondContact CE1-O 3.31Å; Y649-L711 VanDerWaalsContact CZ-O 3.29Å; Y649-L711 PolarHBondContact OH-O 2.92Å; K650-L711 HydrophobicContact CG-CD1 3.98Å; K650-L711 HydrophobicContact CG-CD2 4.37Å; E707-L711 WeakPolarHBondContact O-CG 3.5Å; E707-L711 PolarHBondContact O-N 3.48Å; A708-L711 WeakPolarHBondContact O-CB 3.13Å; A708-L711 PolarHBondContact O-N 3.01Å; A709-L711 PolarHBondContact O-N 3.32Å
712	D	82.1	Confident	80.4	Confident	22 Å²	22	48.4 Å²	48.4	12%	0.118	26%	0.259	C	S	.	.			trans	-144.4	123.1	179.6	-173.9	-27.9	0	0	0	110.8	W645 A708 R714 F715	W645-D712 HydrophobicContact CH2-CB 3.37Å; W645-D712 HydrophobicContact CZ2-CB 3.71Å; W645-D712 HydrophobicContact CZ3-CB 4.48Å; A708-D712 PolarHBondContact O-N 2.81Å; D712-R714 PolarHBondContact O-N 3.47Å; D712-R714 VanDerWaalsContact O-N 3.09Å; D712-R714 VanDerWaalsContact OD1-CB 3.31Å; D712-R714 WeakPolarHBondContact OD1-CB 3.26Å; D712-R714 VanDerWaalsContact OD1-CG 3.31Å; D712-R714 WeakPolarHBondContact OD1-CG 3.2Å; D712-R714 PolarHBondContact OD1-N 3.36Å; D712-R714 IonicContact OD1-NE 3.92Å; D712-R714 PolarHBondContact OD1-NE 3.32Å; D712-R714 IonicContact OD2-CZ 2.72Å; D712-R714 VanDerWaalsContact OD2-CZ 3.23Å; D712-R714 IonicContact OD2-NE 3.4Å; D712-R714 PolarHBondContact OD2-NE 3.23Å; D712-R714 IonicContact OD2-NH2 3.88Å; D712-R714 PolarHBondContact OD2-NH2 3.12Å; D712-F715 HydrophobicContact CB-CD2 4.34Å; D712-F715 PolarHBondContact O-N 2.9Å; D712-F715 VanDerWaalsContact O-N 3.11Å
713	T	83.5	Confident	80.3	Confident	116 Å²	116	50.3 Å²	50.3	71%	0.712	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-64.3	-16.7	-175.8	56.6	0	0	0	0	113.7	F715 S716	T713-F715 PolarHBondContact O-N 3.24Å; T713-S716 WeakPolarHBondContact O-CB 3.3Å; T713-S716 PolarHBondContact O-N 3.32Å
714	R	83.4	Confident	80.1	Confident	82 Å²	82	52.1 Å²	52.1	31%	0.309	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-60.3	-23.1	173.1	-67.8	-178.6	-69.6	163.3	-0.7	113	S668 P671 D672 D712	S668-R714 PolarHBondContact O-NH1 2.78Å; P671-R714 HydrophobicContact CB-CB 3.87Å; D672-R714 IonicContact OD1-NH1 2.66Å; D672-R714 IonicContact OD2-NH1 3.19Å; D672-R714 PolarHBondContact OD2-NH1 3.38Å; D712-R714 PolarHBondContact O-N 3.47Å; D712-R714 VanDerWaalsContact O-N 3.09Å; D712-R714 VanDerWaalsContact OD1-CB 3.31Å; D712-R714 WeakPolarHBondContact OD1-CB 3.26Å; D712-R714 VanDerWaalsContact OD1-CG 3.31Å; D712-R714 WeakPolarHBondContact OD1-CG 3.2Å; D712-R714 PolarHBondContact OD1-N 3.36Å; D712-R714 IonicContact OD1-NE 3.92Å; D712-R714 PolarHBondContact OD1-NE 3.32Å; D712-R714 IonicContact OD2-CZ 2.72Å; D712-R714 VanDerWaalsContact OD2-CZ 3.23Å; D712-R714 IonicContact OD2-NE 3.4Å; D712-R714 PolarHBondContact OD2-NE 3.23Å; D712-R714 IonicContact OD2-NH2 3.88Å; D712-R714 PolarHBondContact OD2-NH2 3.12Å
715	F	83.8	Confident	79.4	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-84	-9.3	172.9	-74.1	-77.5	0	0	0	114	W645 I670 P671 L674 F705 A708 A709 D712 T713 D717 I718 S719	W645-F715 AromaticContact CD2-CE2 3.52Å; W645-F715 HydrophobicContact CD2-CE2 3.52Å; W645-F715 AromaticContact CD2-CZ 3.82Å; W645-F715 HydrophobicContact CD2-CZ 3.82Å; W645-F715 AromaticContact CE2-CE2 3.59Å; W645-F715 HydrophobicContact CE3-CD2 4.3Å; W645-F715 AromaticContact CE3-CE2 3.45Å; W645-F715 HydrophobicContact CE3-CE2 3.45Å; W645-F715 VanDerWaalsContact CE3-CE2 3.45Å; W645-F715 AromaticContact CE3-CZ 3.94Å; W645-F715 HydrophobicContact CE3-CZ 3.94Å; W645-F715 HydrophobicContact CG-CE2 4.32Å; W645-F715 HydrophobicContact CG-CZ 4.17Å; W645-F715 HydrophobicContact CH2-CD2 4.04Å; W645-F715 AromaticContact CH2-CE2 3.66Å; W645-F715 HydrophobicContact CH2-CE2 3.66Å; W645-F715 HydrophobicContact CZ2-CD2 4.37Å; W645-F715 AromaticContact CZ2-CE2 3.67Å; W645-F715 HydrophobicContact CZ2-CE2 3.67Å; W645-F715 AromaticContact CZ3-CD2 3.98Å; W645-F715 HydrophobicContact CZ3-CD2 3.98Å; W645-F715 AromaticContact CZ3-CE2 3.53Å; W645-F715 HydrophobicContact CZ3-CE2 3.53Å; W645-F715 HydrophobicContact CZ3-CZ 4.44Å; I670-F715 HydrophobicContact CG2-CZ 4.39Å; P671-F715 HydrophobicContact CB-CD2 4.35Å; P671-F715 HydrophobicContact CB-CE1 4.39Å; P671-F715 HydrophobicContact CB-CE2 3.89Å; P671-F715 HydrophobicContact CB-CZ 3.92Å; P671-F715 HydrophobicContact CG-CD2 4.33Å; P671-F715 HydrophobicContact CG-CE2 3.51Å; P671-F715 HydrophobicContact CG-CZ 3.66Å; L674-F715 HydrophobicContact CD1-CE1 3.78Å; F705-F715 AromaticContact CD1-CD1 3.69Å; F705-F715 HydrophobicContact CD1-CD1 3.69Å; F705-F715 HydrophobicContact CD1-CE1 4.32Å; F705-F715 AromaticContact CE1-CD1 3.71Å; F705-F715 HydrophobicContact CE1-CD1 3.71Å; F705-F715 HydrophobicContact CE1-CE1 4.03Å; A708-F715 HydrophobicContact CB-CB 4.21Å; A708-F715 HydrophobicContact CB-CD1 4.17Å; A708-F715 HydrophobicContact CB-CD2 3.74Å; A708-F715 HydrophobicContact CB-CE1 4.44Å; A708-F715 HydrophobicContact CB-CE2 4.05Å; A708-F715 HydrophobicContact CB-CG 3.78Å; A708-F715 HydrophobicContact CB-CZ 4.39Å; A709-F715 HydrophobicContact CB-CB 4.06Å; D712-F715 HydrophobicContact CB-CD2 4.34Å; D712-F715 PolarHBondContact O-N 2.9Å; D712-F715 VanDerWaalsContact O-N 3.11Å; T713-F715 PolarHBondContact O-N 3.24Å; F715-D717 PolarHBondContact O-N 2.98Å; F715-I718 PolarHBondContact O-N 2.9Å; F715-S719 VanDerWaalsContact O-CB 3.29Å; F715-S719 WeakPolarHBondContact O-CB 3.34Å; F715-S719 PolarHBondContact O-N 2.88Å
716	S	82	Confident	79.2	Confident	54 Å²	54	60.3 Å²	60.3	38%	0.378	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-40.8	-172	-171.2	0	0	0	0	112.7	T713 S719 T720	T713-S716 WeakPolarHBondContact O-CB 3.3Å; T713-S716 PolarHBondContact O-N 3.32Å; S716-S719 PolarHBondContact O-N 3.15Å; S716-T720 WeakPolarHBondContact O-CB 3.32Å; S716-T720 PolarHBondContact O-N 3.06Å; S716-T720 PolarHBondContact O-OG1 2.66Å
717	D	77.7	Confident	79.1	Confident	112 Å²	112	60.7 Å²	60.7	60%	0.599	31%	0.313	S	S	*	.	H	α-helix	trans	-64.3	-45.5	178.1	-67.4	-22.8	0	0	0	111.2	F715 T720 L721	F715-D717 PolarHBondContact O-N 2.98Å; D717-T720 PolarHBondContact O-N 2.95Å; D717-L721 WeakPolarHBondContact O-CB 3.46Å; D717-L721 PolarHBondContact O-N 3.1Å
718	I	77.6	Confident	79	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-69	-41.7	178.6	-56.3	170.1	0	0	0	110.5	L674 L675 I678 F705 F715 T720 L721 V722	L674-I718 HydrophobicContact CB-CD1 3.77Å; L675-I718 HydrophobicContact CD2-CD1 4.11Å; L675-I718 HydrophobicContact CD2-CG1 4.02Å; L675-I718 HydrophobicContact CG-CD1 3.97Å; L675-I718 HydrophobicContact CG-CG1 4.44Å; I678-I718 HydrophobicContact CD1-CG1 4.12Å; F705-I718 HydrophobicContact CD1-CB 4.28Å; F705-I718 HydrophobicContact CD1-CG2 3.9Å; F705-I718 HydrophobicContact CD2-CG2 4.38Å; F705-I718 HydrophobicContact CE1-CB 3.97Å; F705-I718 HydrophobicContact CE1-CD1 4.38Å; F705-I718 HydrophobicContact CE1-CG2 3.36Å; F705-I718 HydrophobicContact CE2-CG2 3.9Å; F705-I718 HydrophobicContact CG-CG2 4.39Å; F705-I718 HydrophobicContact CZ-CB 4.43Å; F705-I718 HydrophobicContact CZ-CG2 3.35Å; F715-I718 PolarHBondContact O-N 2.9Å; I718-T720 VanDerWaalsContact C-N 3.32Å; I718-T720 PolarHBondContact O-N 3.47Å; I718-L721 PolarHBondContact O-N 2.92Å; I718-V722 HydrophobicContact CG2-CG2 4.05Å; I718-V722 WeakPolarHBondContact O-CB 3.43Å; I718-V722 WeakPolarHBondContact O-CG2 3.48Å; I718-V722 PolarHBondContact O-N 3.39Å
719	S	79.8	Confident	78.7	Confident	13 Å²	13	63.5 Å²	63.5	9%	0.091	33%	0.329	C	S	.	.	H	α-helix	trans	-61.9	-40.8	177.8	-179.9	0	0	0	0	111.8	F715 S716 V722 R723	F715-S719 VanDerWaalsContact O-CB 3.29Å; F715-S719 WeakPolarHBondContact O-CB 3.34Å; F715-S719 PolarHBondContact O-N 2.88Å; S716-S719 PolarHBondContact O-N 3.15Å; S719-V722 PolarHBondContact O-N 3.46Å; S719-R723 VanDerWaalsContact O-CB 3.28Å; S719-R723 WeakPolarHBondContact O-CB 3.15Å; S719-R723 PolarHBondContact O-N 3.49Å
720	T	79	Confident	78.4	Confident	48 Å²	48	66.3 Å²	66.3	29%	0.294	34%	0.339	S	S	.	.	H	α-helix	trans	-62.5	-46.9	174.5	-57.9	0	0	0	0	110.2	S716 D717 I718 V722 R723 D724	S716-T720 WeakPolarHBondContact O-CB 3.32Å; S716-T720 PolarHBondContact O-N 3.06Å; S716-T720 PolarHBondContact O-OG1 2.66Å; D717-T720 PolarHBondContact O-N 2.95Å; I718-T720 VanDerWaalsContact C-N 3.32Å; I718-T720 PolarHBondContact O-N 3.47Å; T720-V722 PolarHBondContact O-N 3.07Å; T720-R723 PolarHBondContact O-N 2.95Å; T720-D724 WeakPolarHBondContact O-CB 3.39Å; T720-D724 PolarHBondContact O-N 3.2Å
721	L	74.6	Confident	78	Confident	45 Å²	45	61.7 Å²	61.7	24%	0.236	31%	0.314	C	S	.	.	H	α-helix	trans	-62.3	-41.3	179.1	-172.5	141.9	0	0	0	113	I678 L682 F685 D717 I718 R723 F725	I678-L721 HydrophobicContact CD1-CD1 4.07Å; I678-L721 HydrophobicContact CG1-CD1 4.23Å; L682-L721 HydrophobicContact CD1-CD1 4.19Å; L682-L721 HydrophobicContact CD2-CD1 3.94Å; L682-L721 HydrophobicContact CD2-CD2 3.7Å; L682-L721 HydrophobicContact CD2-CG 4.13Å; L682-L721 HydrophobicContact CG-CD1 4.19Å; L682-L721 HydrophobicContact CG-CD2 4.13Å; F685-L721 HydrophobicContact CD2-CD2 3.99Å; F685-L721 HydrophobicContact CE2-CD2 3.85Å; D717-L721 WeakPolarHBondContact O-CB 3.46Å; D717-L721 PolarHBondContact O-N 3.1Å; I718-L721 PolarHBondContact O-N 2.92Å; L721-R723 VanDerWaalsContact C-N 3.31Å; L721-F725 WeakPolarHBondContact O-CB 3.25Å; L721-F725 PolarHBondContact O-N 3.14Å; L721-F725 VanDerWaalsContact O-N 3.12Å
722	V	74.3	Confident	77.7	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.03	32%	0.318	C	S	.	.	H	α-helix	trans	-70	-28.1	176.4	173.7	0	0	0	0	112.4	F685 L701 R702 F705 I718 S719 T720 F725	F685-V722 HydrophobicContact CE2-CG2 3.62Å; F685-V722 HydrophobicContact CZ-CG2 3.61Å; L701-V722 HydrophobicContact CD2-CG1 4.23Å; L701-V722 HydrophobicContact CD2-CG2 4.38Å; R702-V722 HydrophobicContact CB-CG1 3.88Å; R702-V722 HydrophobicContact CG-CG1 4.37Å; F705-V722 HydrophobicContact CD2-CB 4.3Å; F705-V722 HydrophobicContact CD2-CG1 4.24Å; F705-V722 HydrophobicContact CD2-CG2 3.71Å; F705-V722 HydrophobicContact CE2-CG2 3.81Å; I718-V722 HydrophobicContact CG2-CG2 4.05Å; I718-V722 WeakPolarHBondContact O-CB 3.43Å; I718-V722 WeakPolarHBondContact O-CG2 3.48Å; I718-V722 PolarHBondContact O-N 3.39Å; S719-V722 PolarHBondContact O-N 3.46Å; T720-V722 PolarHBondContact O-N 3.07Å; V722-F725 VanDerWaalsContact O-OXT 3.09Å
723	R	74.7	Confident	77.4	Confident	148 Å²	148	65.8 Å²	65.8	56%	0.558	33%	0.334	S	S	*	.	H	α-helix	trans	-80.5	-35.9	177	-176.3	-166.6	66.9	-162.5	-5.3	112.1	S719 T720 L721	S719-R723 VanDerWaalsContact O-CB 3.28Å; S719-R723 WeakPolarHBondContact O-CB 3.15Å; S719-R723 PolarHBondContact O-N 3.49Å; T720-R723 PolarHBondContact O-N 2.95Å; L721-R723 VanDerWaalsContact C-N 3.31Å
724	D	72.7	Confident	76.9	Confident	116 Å²	116	61.6 Å²	61.6	62%	0.62	30%	0.302	S	S	*	.	H	α-helix	trans	-76.8	-27.6	-178.7	-68.1	-2.9	0	0	0	111.8	T720	T720-D724 WeakPolarHBondContact O-CB 3.39Å; T720-D724 PolarHBondContact O-N 3.2Å
725	F	62.8	Low	76.3	Confident	116 Å²	116	59.7 Å²	59.7	51%	0.509	30%	0.301	S	S	.	.			trans	-74.2	0	165.2	-171.9	-85.7	0	0	0	110.5	F685 L698 L721 V722	F685-F725 HydrophobicContact CB-CD1 4.37Å; F685-F725 HydrophobicContact CB-CD2 4.01Å; F685-F725 HydrophobicContact CB-CE1 4.12Å; F685-F725 HydrophobicContact CB-CE2 3.75Å; F685-F725 HydrophobicContact CB-CG 4.31Å; F685-F725 HydrophobicContact CB-CZ 3.81Å; F685-F725 WeakPolarHBondContact O-CZ 3.35Å; L698-F725 HydrophobicContact CD1-CD1 4.22Å; L698-F725 HydrophobicContact CD1-CE1 3.76Å; L721-F725 WeakPolarHBondContact O-CB 3.25Å; L721-F725 PolarHBondContact O-N 3.14Å; L721-F725 VanDerWaalsContact O-N 3.12Å; V722-F725 VanDerWaalsContact O-OXT 3.09Å

Retrieved 725 of 725 residues in 1276.2 ms (Link to these results)

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