A0A077ZAJ3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZAJ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 486 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34	Very low	50.3	Low	244 Å²	244	80.9 Å²	80.9	100%	1.202	45%	0.451	S	S	*	.				0	78.2	0	-70.4	-168.3	-176.4	0	0	108.1
2	S	37.8	Very low	50.4	Low	63 Å²	63	75.4 Å²	75.4	44%	0.441	42%	0.423	S	S	.	.				-96	149.7	108.9	61.8	0	0	0	0	105.3	D7	S2-D7 PolarHBondContact OG-OD1 3.3Å; S2-D7 PolarHBondContact OG-OD2 2.98Å
3	T	54.7	Low	50.9	Low	85 Å²	85	79.8 Å²	79.8	52%	0.521	44%	0.435	S	S	.	.			trans	-80.1	142.3	173.1	49.3	0	0	0	0	108.6	G5 E6 D7	T3-G5 PolarHBondContact O-N 3.37Å; T3-E6 PolarHBondContact N-OE2 3.37Å; T3-E6 WeakPolarHBondContact O-CB 3.47Å; T3-E6 PolarHBondContact O-N 3.11Å; T3-E6 WeakPolarHBondContact OG1-CG 3.34Å; T3-E6 PolarHBondContact OG1-OE2 2.71Å; T3-D7 PolarHBondContact O-N 3.17Å
4	L	44.7	Very low	50.9	Low	91 Å²	91	84.8 Å²	84.8	48%	0.476	46%	0.457	S	S	.	.	H	α-helix	trans	-51.3	-26.5	177.2	-132	105.4	0	0	0	112.1	F8 F29	L4-F8 WeakPolarHBondContact O-CB 3.46Å; L4-F8 PolarHBondContact O-N 3.2Å; L4-F29 HydrophobicContact CB-CE1 3.99Å; L4-F29 HydrophobicContact CB-CZ 3.86Å; L4-F29 HydrophobicContact CD2-CE1 4Å; L4-F29 HydrophobicContact CD2-CZ 3.5Å; L4-F29 HydrophobicContact CG-CZ 4.29Å
5	G	52.5	Low	50.5	Low	24 Å²	24	86.3 Å²	86.3	25%	0.247	46%	0.464	C	S	.	.	H	α-helix	trans	-69.1	-35.4	173.3	0	0	0	0	0	114.9	T3 L9	T3-G5 PolarHBondContact O-N 3.37Å; G5-L9 WeakPolarHBondContact O-CB 3.49Å; G5-L9 WeakPolarHBondContact O-CG 3.4Å; G5-L9 PolarHBondContact O-N 3.07Å
6	E	56	Low	49.9	Very low	112 Å²	112	84.1 Å²	84.1	52%	0.523	47%	0.468	S	S	.	.	H	α-helix	trans	-69.5	-40.2	173	-74.9	167.9	150.2	0	0	111.2	T3 F8 L9 A10	T3-E6 PolarHBondContact N-OE2 3.37Å; T3-E6 WeakPolarHBondContact O-CB 3.47Å; T3-E6 PolarHBondContact O-N 3.11Å; T3-E6 WeakPolarHBondContact OG1-CG 3.34Å; T3-E6 PolarHBondContact OG1-OE2 2.71Å; E6-F8 VanDerWaalsContact C-N 3.33Å; E6-L9 PolarHBondContact O-N 3.4Å; E6-A10 VanDerWaalsContact O-CB 3.28Å; E6-A10 WeakPolarHBondContact O-CB 3.44Å; E6-A10 PolarHBondContact O-N 3.11Å
7	D	55.1	Low	49.8	Very low	82 Å²	82	86 Å²	86	44%	0.439	47%	0.47	S	S	.	.	H	α-helix	trans	-66.1	-37.8	175.6	-63.9	-14.6	0	0	0	110.8	S2 T3 A10 A11	S2-D7 PolarHBondContact OG-OD1 3.3Å; S2-D7 PolarHBondContact OG-OD2 2.98Å; T3-D7 PolarHBondContact O-N 3.17Å; D7-A10 PolarHBondContact O-N 3.03Å; D7-A11 VanDerWaalsContact O-CB 3.23Å; D7-A11 WeakPolarHBondContact O-CB 3.49Å; D7-A11 PolarHBondContact O-N 3.32Å
8	F	52.1	Low	49.9	Very low	75 Å²	75	90 Å²	90	33%	0.329	49%	0.485	S	S	.	.	H	α-helix	trans	-65.5	-44.3	173.4	-176.9	-94.8	0	0	0	112.4	L4 E6 A10 A11 A12 I24 L42	L4-F8 WeakPolarHBondContact O-CB 3.46Å; L4-F8 PolarHBondContact O-N 3.2Å; E6-F8 VanDerWaalsContact C-N 3.33Å; F8-A10 VanDerWaalsContact C-N 3.34Å; F8-A11 WeakPolarHBondContact O-CB 3.23Å; F8-A11 PolarHBondContact O-N 2.85Å; F8-A12 WeakPolarHBondContact O-CB 3.48Å; F8-A12 PolarHBondContact O-N 2.97Å; F8-I24 HydrophobicContact CD1-CD1 4.32Å; F8-I24 HydrophobicContact CE1-CD1 4Å; F8-L42 HydrophobicContact CD2-CD2 3.52Å; F8-L42 HydrophobicContact CE2-CD2 3.79Å
9	L	55.7	Low	50	Low	54 Å²	54	91.6 Å²	91.6	28%	0.283	49%	0.494	S	S	.	.	H	α-helix	trans	-65	-38.1	175.3	-84.8	160	0	0	0	111.7	G5 E6 A12 K13	G5-L9 WeakPolarHBondContact O-CB 3.49Å; G5-L9 WeakPolarHBondContact O-CG 3.4Å; G5-L9 PolarHBondContact O-N 3.07Å; E6-L9 PolarHBondContact O-N 3.4Å; L9-A12 PolarHBondContact O-N 3.3Å; L9-K13 WeakPolarHBondContact O-CB 3.33Å; L9-K13 WeakPolarHBondContact O-CG 3.49Å; L9-K13 PolarHBondContact O-N 3.14Å
10	A	56.9	Low	49.7	Very low	50 Å²	50	88.8 Å²	88.8	41%	0.413	48%	0.483	S	S	.	.	H	α-helix	trans	-65.4	-43.5	174.7	0	0	0	0	0	111.3	E6 D7 F8 K13 M14	E6-A10 VanDerWaalsContact O-CB 3.28Å; E6-A10 WeakPolarHBondContact O-CB 3.44Å; E6-A10 PolarHBondContact O-N 3.11Å; D7-A10 PolarHBondContact O-N 3.03Å; F8-A10 VanDerWaalsContact C-N 3.34Å; A10-K13 PolarHBondContact O-N 3.13Å; A10-M14 WeakPolarHBondContact O-CG 3.42Å; A10-M14 PolarHBondContact O-N 2.68Å
11	A	53.4	Low	49.2	Very low	10 Å²	10	93.8 Å²	93.8	8%	0.083	50%	0.503	C	S	.	.	H	α-helix	trans	-61.1	-45.3	173.7	0	0	0	0	0	112.9	D7 F8 K13 M14 L15 F45	D7-A11 VanDerWaalsContact O-CB 3.23Å; D7-A11 WeakPolarHBondContact O-CB 3.49Å; D7-A11 PolarHBondContact O-N 3.32Å; F8-A11 WeakPolarHBondContact O-CB 3.23Å; F8-A11 PolarHBondContact O-N 2.85Å; A11-K13 VanDerWaalsContact C-N 3.32Å; A11-K13 PolarHBondContact O-N 3.25Å; A11-M14 PolarHBondContact O-N 3.3Å; A11-L15 WeakPolarHBondContact O-CG 3.29Å; A11-L15 PolarHBondContact O-N 3.39Å; A11-F45 HydrophobicContact CB-CD1 4.37Å; A11-F45 HydrophobicContact CB-CE1 3.26Å; A11-F45 HydrophobicContact CB-CE2 4.42Å; A11-F45 HydrophobicContact CB-CZ 3.3Å
12	A	51.7	Low	49.9	Very low	15 Å²	15	84.3 Å²	84.3	12%	0.124	47%	0.468	C	S	.	.	H	α-helix	trans	-60.7	-42.8	175.7	0	0	0	0	0	111.1	F8 L9 L15 G16 F17	F8-A12 WeakPolarHBondContact O-CB 3.48Å; F8-A12 PolarHBondContact O-N 2.97Å; L9-A12 PolarHBondContact O-N 3.3Å; A12-L15 PolarHBondContact O-N 2.96Å; A12-G16 PolarHBondContact O-N 3.42Å; A12-F17 HydrophobicContact CB-CB 4.39Å; A12-F17 HydrophobicContact CB-CD2 4.47Å; A12-F17 WeakPolarHBondContact O-CB 3.37Å; A12-F17 WeakPolarHBondContact O-CD2 3.26Å; A12-F17 PolarHBondContact O-N 3.24Å; A12-F17 VanDerWaalsContact O-N 3.1Å
13	K	56.8	Low	50.3	Low	132 Å²	132	87.8 Å²	87.8	57%	0.574	49%	0.487	S	S	*	.	H	α-helix	trans	-63.9	-41.1	173.7	-74.7	179.3	177.8	-173.8	0	112.6	L9 A10 A11 L15 G16	L9-K13 WeakPolarHBondContact O-CB 3.33Å; L9-K13 WeakPolarHBondContact O-CG 3.49Å; L9-K13 PolarHBondContact O-N 3.14Å; A10-K13 PolarHBondContact O-N 3.13Å; A11-K13 VanDerWaalsContact C-N 3.32Å; A11-K13 PolarHBondContact O-N 3.25Å; K13-L15 PolarHBondContact O-N 3.38Å; K13-G16 PolarHBondContact O-N 3.5Å; K13-G16 VanDerWaalsContact O-N 3.13Å
14	M	51.3	Low	49.9	Very low	150 Å²	150	87.2 Å²	87.2	74%	0.739	48%	0.48	S	S	*	.	H	α-helix	trans	-63.9	-26.2	175.5	-75.2	-176.1	112.6	0	0	113.1	A10 A11 G16	A10-M14 WeakPolarHBondContact O-CG 3.42Å; A10-M14 PolarHBondContact O-N 2.68Å; A11-M14 PolarHBondContact O-N 3.3Å; M14-G16 VanDerWaalsContact C-N 3.33Å
15	L	44.7	Very low	50.4	Low	108 Å²	108	85.2 Å²	85.2	57%	0.565	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	2.6	176.4	-69.2	171.2	0	0	0	113.9	A11 A12 K13 F17 F45	A11-L15 WeakPolarHBondContact O-CG 3.29Å; A11-L15 PolarHBondContact O-N 3.39Å; A12-L15 PolarHBondContact O-N 2.96Å; K13-L15 PolarHBondContact O-N 3.38Å; L15-F17 HydrophobicContact CB-CD2 3.88Å; L15-F17 HydrophobicContact CB-CE2 3.9Å; L15-F45 HydrophobicContact CD1-CE2 4.15Å
16	G	41.1	Very low	50.2	Low	51 Å²	51	88.1 Å²	88.1	53%	0.526	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	11.6	177	0	0	0	0	0	115	A12 K13 M14 E18	A12-G16 PolarHBondContact O-N 3.42Å; K13-G16 PolarHBondContact O-N 3.5Å; K13-G16 VanDerWaalsContact O-N 3.13Å; M14-G16 VanDerWaalsContact C-N 3.33Å; G16-E18 PolarHBondContact O-N 3.49Å
17	F	48.3	Very low	50.3	Low	116 Å²	116	88.7 Å²	88.7	51%	0.509	50%	0.502	S	S	.	.			trans	-79.3	67.7	168.4	-60	-83.3	0	0	0	109.6	A12 L15 D19 A20	A12-F17 HydrophobicContact CB-CB 4.39Å; A12-F17 HydrophobicContact CB-CD2 4.47Å; A12-F17 WeakPolarHBondContact O-CB 3.37Å; A12-F17 WeakPolarHBondContact O-CD2 3.26Å; A12-F17 PolarHBondContact O-N 3.24Å; A12-F17 VanDerWaalsContact O-N 3.1Å; L15-F17 HydrophobicContact CB-CD2 3.88Å; L15-F17 HydrophobicContact CB-CE2 3.9Å; F17-D19 PolarHBondContact O-N 3.47Å; F17-A20 HydrophobicContact CB-CB 4.24Å; F17-A20 PolarHBondContact O-N 3.5Å
18	E	51	Low	50.3	Low	158 Å²	158	89 Å²	89	74%	0.738	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.4	-177.6	-68.6	-173.4	163.7	0	0	112.7	G16	G16-E18 PolarHBondContact O-N 3.49Å
19	D	51.6	Low	50.1	Low	121 Å²	121	87.1 Å²	87.1	65%	0.647	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	16.4	-179.2	-60.5	-46.6	0	0	0	114	F17 E21 R124	F17-D19 PolarHBondContact O-N 3.47Å; D19-E21 PolarHBondContact O-N 3.05Å; D19-R124 IonicContact OD2-NH1 3.73Å
20	A	44.2	Very low	50.3	Low	34 Å²	34	87.1 Å²	87.1	28%	0.281	50%	0.503	S	S	.	.			trans	-73.8	52.8	173.3	0	0	0	0	0	111.9	F17 G22	F17-A20 HydrophobicContact CB-CB 4.24Å; F17-A20 PolarHBondContact O-N 3.5Å; A20-G22 PolarHBondContact O-N 3.17Å
21	E	39.3	Very low	50.4	Low	194 Å²	194	89.1 Å²	89.1	91%	0.907	51%	0.51	S	S	*	.			trans	-80.1	64.7	165.1	-69.6	-165.6	158.4	0	0	109.4	D19	D19-E21 PolarHBondContact O-N 3.05Å
22	G	48.3	Very low	50.2	Low	45 Å²	45	91.9 Å²	91.9	46%	0.464	52%	0.523	S	S	.	.			trans	-134.4	103.8	171.6	0	0	0	0	0	108.1	A20 I24	A20-G22 PolarHBondContact O-N 3.17Å; G22-I24 PolarHBondContact O-N 3.21Å
23	T	46.9	Very low	50.4	Low	136 Å²	136	93.5 Å²	93.5	83%	0.834	53%	0.533	S	S	*	.			trans	-69.6	100.1	169.8	20.7	0	0	0	0	107.4	S25	T23-S25 PolarHBondContact O-N 3.06Å; T23-S25 VanDerWaalsContact O-N 3.12Å
24	I	47.1	Very low	50.7	Low	73 Å²	73	91.5 Å²	91.5	37%	0.374	54%	0.536	S	S	.	.			trans	-56.8	117.5	164.3	-66.7	177.8	0	0	0	105.9	F8 G22 D28 F29 L32	F8-I24 HydrophobicContact CD1-CD1 4.32Å; F8-I24 HydrophobicContact CE1-CD1 4Å; G22-I24 PolarHBondContact O-N 3.21Å; I24-D28 HydrophobicContact CG2-CB 3.73Å; I24-F29 HydrophobicContact CG2-CB 3.77Å; I24-F29 HydrophobicContact CG2-CD2 4.36Å; I24-L32 HydrophobicContact CD1-CD1 4.23Å; I24-L32 HydrophobicContact CG2-CD1 4.24Å
25	S	53.9	Low	51	Low	50 Å²	50	87.3 Å²	87.3	35%	0.35	52%	0.517	S	S	.	.			trans	-62.4	154.5	176.6	75.4	0	0	0	0	109.4	T23 D27 D28 F29	T23-S25 PolarHBondContact O-N 3.06Å; T23-S25 VanDerWaalsContact O-N 3.12Å; S25-D27 PolarHBondContact O-N 3.39Å; S25-D27 VanDerWaalsContact O-N 3.12Å; S25-D28 WeakPolarHBondContact CB-OD2 3.38Å; S25-D28 PolarHBondContact N-OD2 3.45Å; S25-D28 PolarHBondContact O-N 3.02Å; S25-D28 PolarHBondContact OG-N 3.47Å; S25-D28 VanDerWaalsContact OG-N 3.09Å; S25-D28 PolarHBondContact OG-OD2 3.24Å; S25-F29 PolarHBondContact O-N 3.28Å
26	A	48.8	Very low	51.7	Low	84 Å²	84	86.8 Å²	86.8	69%	0.694	52%	0.52	S	S	*	.	H	α-helix	trans	-56.4	-31.1	177.9	0	0	0	0	0	112.1	A30	A26-A30 WeakPolarHBondContact O-CB 3.42Å; A26-A30 PolarHBondContact O-N 3.47Å
27	D	57.3	Low	52	Low	125 Å²	125	90.2 Å²	90.2	67%	0.668	53%	0.526	S	S	*	.	H	α-helix	trans	-73.2	-40	176.9	-66.2	-22.7	0	0	0	112.1	S25 F29 A30 T31	S25-D27 PolarHBondContact O-N 3.39Å; S25-D27 VanDerWaalsContact O-N 3.12Å; D27-F29 VanDerWaalsContact C-N 3.33Å; D27-A30 PolarHBondContact O-N 3.41Å; D27-T31 WeakPolarHBondContact O-CB 3.36Å; D27-T31 PolarHBondContact O-N 3.2Å; D27-T31 PolarHBondContact O-OG1 2.87Å
28	D	55.4	Low	52.2	Low	87 Å²	87	87.2 Å²	87.2	47%	0.465	52%	0.515	S	S	.	.	H	α-helix	trans	-65.7	-39.3	174.4	-64.1	-41.8	0	0	0	110.7	I24 S25 T31 L32	I24-D28 HydrophobicContact CG2-CB 3.73Å; S25-D28 WeakPolarHBondContact CB-OD2 3.38Å; S25-D28 PolarHBondContact N-OD2 3.45Å; S25-D28 PolarHBondContact O-N 3.02Å; S25-D28 PolarHBondContact OG-N 3.47Å; S25-D28 VanDerWaalsContact OG-N 3.09Å; S25-D28 PolarHBondContact OG-OD2 3.24Å; D28-T31 PolarHBondContact O-N 3.48Å; D28-L32 WeakPolarHBondContact O-CB 3.07Å; D28-L32 WeakPolarHBondContact O-CD1 3.47Å; D28-L32 WeakPolarHBondContact O-CG 3.24Å; D28-L32 PolarHBondContact O-N 3.34Å
29	F	49.4	Very low	52.3	Low	37 Å²	37	81.5 Å²	81.5	16%	0.162	49%	0.494	C	S	.	.	H	α-helix	trans	-65.9	-41.6	175	-168.3	-93.8	0	0	0	111.9	L4 I24 S25 D27 T31 L32 S33 L42	L4-F29 HydrophobicContact CB-CE1 3.99Å; L4-F29 HydrophobicContact CB-CZ 3.86Å; L4-F29 HydrophobicContact CD2-CE1 4Å; L4-F29 HydrophobicContact CD2-CZ 3.5Å; L4-F29 HydrophobicContact CG-CZ 4.29Å; I24-F29 HydrophobicContact CG2-CB 3.77Å; I24-F29 HydrophobicContact CG2-CD2 4.36Å; S25-F29 PolarHBondContact O-N 3.28Å; D27-F29 VanDerWaalsContact C-N 3.33Å; F29-T31 VanDerWaalsContact C-N 3.29Å; F29-T31 PolarHBondContact O-N 2.85Å; F29-L32 PolarHBondContact O-N 3.47Å; F29-S33 VanDerWaalsContact O-CB 3.28Å; F29-S33 WeakPolarHBondContact O-CB 3.46Å; F29-S33 PolarHBondContact O-N 2.92Å; F29-S33 PolarHBondContact O-OG 3.4Å; F29-L42 HydrophobicContact CE2-CD1 4.22Å; F29-L42 HydrophobicContact CZ-CD1 4.01Å
30	A	58.7	Low	52.3	Low	53 Å²	53	78.5 Å²	78.5	44%	0.438	49%	0.486	S	S	.	.	H	α-helix	trans	-62	-38.7	174.2	0	0	0	0	0	111.6	A26 D27 S33 S34	A26-A30 WeakPolarHBondContact O-CB 3.42Å; A26-A30 PolarHBondContact O-N 3.47Å; D27-A30 PolarHBondContact O-N 3.41Å; A30-S33 WeakPolarHBondContact CA-OG 2.93Å; A30-S33 PolarHBondContact O-OG 2.91Å; A30-S34 WeakPolarHBondContact O-CB 3.32Å; A30-S34 PolarHBondContact O-N 3.35Å
31	T	58.8	Low	52.8	Low	93 Å²	93	82 Å²	82	57%	0.571	50%	0.496	S	S	*	.	H	α-helix	trans	-67.4	-47.3	176.5	-54	0	0	0	0	111	D27 D28 F29 S33 S34	D27-T31 WeakPolarHBondContact O-CB 3.36Å; D27-T31 PolarHBondContact O-N 3.2Å; D27-T31 PolarHBondContact O-OG1 2.87Å; D28-T31 PolarHBondContact O-N 3.48Å; F29-T31 VanDerWaalsContact C-N 3.29Å; F29-T31 PolarHBondContact O-N 2.85Å; T31-S33 PolarHBondContact O-N 3.1Å; T31-S34 PolarHBondContact O-N 3.26Å; T31-S34 PolarHBondContact O-OG 3.27Å
32	L	50.2	Low	53.5	Low	68 Å²	68	73.5 Å²	73.5	36%	0.356	46%	0.456	S	S	.	.	H	α-helix	trans	-62.7	-43.6	177.1	-72.9	165.3	0	0	0	111.5	I24 D28 F29 S34 D35 I38	I24-L32 HydrophobicContact CD1-CD1 4.23Å; I24-L32 HydrophobicContact CG2-CD1 4.24Å; D28-L32 WeakPolarHBondContact O-CB 3.07Å; D28-L32 WeakPolarHBondContact O-CD1 3.47Å; D28-L32 WeakPolarHBondContact O-CG 3.24Å; D28-L32 PolarHBondContact O-N 3.34Å; F29-L32 PolarHBondContact O-N 3.47Å; L32-S34 PolarHBondContact O-N 2.95Å; L32-D35 WeakPolarHBondContact O-CB 3.29Å; L32-D35 PolarHBondContact O-N 3.11Å; L32-I38 HydrophobicContact CB-CD1 4.28Å; L32-I38 HydrophobicContact CB-CG2 4.3Å; L32-I38 HydrophobicContact CD2-CD1 3.51Å; L32-I38 VanDerWaalsContact O-CB 3.24Å; L32-I38 WeakPolarHBondContact O-CB 3.37Å; L32-I38 WeakPolarHBondContact O-CG2 3.24Å
33	S	54.7	Low	53.9	Low	48 Å²	48	78 Å²	78	34%	0.336	46%	0.463	S	S	.	.	H	α-helix	trans	-73.3	-12.6	177.5	57.9	0	0	0	0	114.2	F29 A30 T31	F29-S33 VanDerWaalsContact O-CB 3.28Å; F29-S33 WeakPolarHBondContact O-CB 3.46Å; F29-S33 PolarHBondContact O-N 2.92Å; F29-S33 PolarHBondContact O-OG 3.4Å; A30-S33 WeakPolarHBondContact CA-OG 2.93Å; A30-S33 PolarHBondContact O-OG 2.91Å; T31-S33 PolarHBondContact O-N 3.1Å
34	S	63.4	Low	54.9	Low	91 Å²	91	77.1 Å²	77.1	64%	0.636	45%	0.445	S	S	*	.	H	α-helix	trans	-80.1	-17.7	170.1	75.7	0	0	0	0	113.2	A30 T31 L32 P36	A30-S34 WeakPolarHBondContact O-CB 3.32Å; A30-S34 PolarHBondContact O-N 3.35Å; T31-S34 PolarHBondContact O-N 3.26Å; T31-S34 PolarHBondContact O-OG 3.27Å; L32-S34 PolarHBondContact O-N 2.95Å; S34-P36 WeakPolarHBondContact O-CD 3.44Å
35	D	57.7	Low	55.1	Low	62 Å²	62	75.3 Å²	75.3	33%	0.332	43%	0.434	S	S	.	.	S	Bend	trans	-73.3	119.3	169.9	-172.7	-54.6	0	0	0	109.1	L32 N37 I38 A39	L32-D35 WeakPolarHBondContact O-CB 3.29Å; L32-D35 PolarHBondContact O-N 3.11Å; D35-N37 PolarHBondContact O-N 3.07Å; D35-N37 WeakPolarHBondContact OD1-CA 3.43Å; D35-N37 VanDerWaalsContact OD1-CB 3.25Å; D35-N37 WeakPolarHBondContact OD1-CB 3.44Å; D35-N37 PolarHBondContact OD1-N 3.29Å; D35-N37 PolarHBondContact OD1-ND2 3.28Å; D35-I38 HydrophobicContact CB-CB 4.11Å; D35-I38 HydrophobicContact CB-CD1 3.93Å; D35-I38 HydrophobicContact CB-CG1 3.95Å; D35-I38 PolarHBondContact O-N 3.26Å; D35-I38 VanDerWaalsContact O-N 3.16Å; D35-I38 PolarHBondContact OD1-N 3.33Å; D35-A39 WeakPolarHBondContact O-CB 3.46Å; D35-A39 PolarHBondContact O-N 3.39Å
36	P	58.8	Low	55.1	Low	97 Å²	97	76.1 Å²	76.1	63%	0.63	44%	0.439	S	S	*	.	H	α-helix	trans	-62.2	-26.5	-176.3	22.9	-31.3	0	0	0	113.3	S34 A40	S34-P36 WeakPolarHBondContact O-CD 3.44Å; P36-A40 WeakPolarHBondContact O-CB 3.31Å; P36-A40 PolarHBondContact O-N 3.39Å
37	N	48.5	Very low	55.4	Low	123 Å²	123	76.9 Å²	76.9	66%	0.658	43%	0.432	S	S	*	.	H	α-helix	trans	-74.5	-41.9	176.7	-58.5	-57	0	0	0	111.2	D35 A40 F41	D35-N37 PolarHBondContact O-N 3.07Å; D35-N37 WeakPolarHBondContact OD1-CA 3.43Å; D35-N37 VanDerWaalsContact OD1-CB 3.25Å; D35-N37 WeakPolarHBondContact OD1-CB 3.44Å; D35-N37 PolarHBondContact OD1-N 3.29Å; D35-N37 PolarHBondContact OD1-ND2 3.28Å; N37-A40 PolarHBondContact O-N 3.46Å; N37-F41 WeakPolarHBondContact O-CB 3.41Å; N37-F41 PolarHBondContact O-N 3.11Å
38	I	51.3	Low	55.3	Low	52 Å²	52	73.9 Å²	73.9	27%	0.267	41%	0.413	S	S	.	.	H	α-helix	trans	-70.8	-40.6	177.7	-59.3	179.7	0	0	0	109.9	L32 D35 A40 F41 L42	L32-I38 HydrophobicContact CB-CD1 4.28Å; L32-I38 HydrophobicContact CB-CG2 4.3Å; L32-I38 HydrophobicContact CD2-CD1 3.51Å; L32-I38 VanDerWaalsContact O-CB 3.24Å; L32-I38 WeakPolarHBondContact O-CB 3.37Å; L32-I38 WeakPolarHBondContact O-CG2 3.24Å; D35-I38 HydrophobicContact CB-CB 4.11Å; D35-I38 HydrophobicContact CB-CD1 3.93Å; D35-I38 HydrophobicContact CB-CG1 3.95Å; D35-I38 PolarHBondContact O-N 3.26Å; D35-I38 VanDerWaalsContact O-N 3.16Å; D35-I38 PolarHBondContact OD1-N 3.33Å; I38-A40 VanDerWaalsContact C-N 3.33Å; I38-A40 PolarHBondContact O-N 3.11Å; I38-F41 PolarHBondContact O-N 2.88Å; I38-L42 HydrophobicContact CG2-CD1 3.86Å; I38-L42 HydrophobicContact CG2-CG 4.14Å; I38-L42 WeakPolarHBondContact O-CB 3.4Å; I38-L42 VanDerWaalsContact O-CG 3.28Å; I38-L42 WeakPolarHBondContact O-CG 3.43Å; I38-L42 PolarHBondContact O-N 3.16Å
39	A	53.2	Low	54.9	Low	38 Å²	38	71.8 Å²	71.8	31%	0.314	41%	0.408	S	S	.	.	H	α-helix	trans	-60.9	-41.8	172.9	0	0	0	0	0	111.9	D35 K43	D35-A39 WeakPolarHBondContact O-CB 3.46Å; D35-A39 PolarHBondContact O-N 3.39Å; A39-K43 WeakPolarHBondContact O-CB 3.34Å; A39-K43 PolarHBondContact O-N 3.07Å
40	A	53.2	Low	54.6	Low	58 Å²	58	73.8 Å²	73.8	48%	0.479	43%	0.426	S	S	.	.	H	α-helix	trans	-65.3	-40.6	174.5	0	0	0	0	0	112	P36 N37 I38 W44	P36-A40 WeakPolarHBondContact O-CB 3.31Å; P36-A40 PolarHBondContact O-N 3.39Å; N37-A40 PolarHBondContact O-N 3.46Å; I38-A40 VanDerWaalsContact C-N 3.33Å; I38-A40 PolarHBondContact O-N 3.11Å; A40-W44 VanDerWaalsContact O-CB 3.27Å; A40-W44 WeakPolarHBondContact O-CB 3.35Å; A40-W44 PolarHBondContact O-N 3.03Å
41	F	53.9	Low	53.8	Low	108 Å²	108	76 Å²	76	47%	0.474	43%	0.431	S	S	.	.	H	α-helix	trans	-65.6	-48	175.3	173.5	-99.1	0	0	0	112.1	N37 I38 K43 W44 F45	N37-F41 WeakPolarHBondContact O-CB 3.41Å; N37-F41 PolarHBondContact O-N 3.11Å; I38-F41 PolarHBondContact O-N 2.88Å; F41-K43 VanDerWaalsContact C-N 3.31Å; F41-K43 PolarHBondContact O-N 2.92Å; F41-W44 HydrophobicContact CD2-CE3 4.36Å; F41-W44 HydrophobicContact CE2-CE3 4.28Å; F41-W44 HydrophobicContact CE2-CZ3 4.29Å; F41-W44 PolarHBondContact O-N 3.22Å; F41-F45 VanDerWaalsContact O-CB 3.27Å; F41-F45 WeakPolarHBondContact O-CB 3.48Å; F41-F45 PolarHBondContact O-N 3.23Å
42	L	55.2	Low	52.9	Low	16 Å²	16	76 Å²	76	8%	0.084	42%	0.423	C	S	.	.	H	α-helix	trans	-61.7	-41.8	177.1	-73.5	172.5	0	0	0	110.8	F8 F29 I38 F45 C46	F8-L42 HydrophobicContact CD2-CD2 3.52Å; F8-L42 HydrophobicContact CE2-CD2 3.79Å; F29-L42 HydrophobicContact CE2-CD1 4.22Å; F29-L42 HydrophobicContact CZ-CD1 4.01Å; I38-L42 HydrophobicContact CG2-CD1 3.86Å; I38-L42 HydrophobicContact CG2-CG 4.14Å; I38-L42 WeakPolarHBondContact O-CB 3.4Å; I38-L42 VanDerWaalsContact O-CG 3.28Å; I38-L42 WeakPolarHBondContact O-CG 3.43Å; I38-L42 PolarHBondContact O-N 3.16Å; L42-F45 PolarHBondContact O-N 3.22Å; L42-C46 WeakPolarHBondContact O-CB 3.02Å; L42-C46 PolarHBondContact O-N 3.45Å; L42-C46 PolarHBondContact O-SG 3.04Å
43	K	56.1	Low	52.3	Low	140 Å²	140	76.4 Å²	76.4	61%	0.609	43%	0.432	S	S	*	.	H	α-helix	trans	-62.5	-48.5	174	-177.5	174.3	-179.7	177	0	111.5	A39 F41 F45 C46 D47	A39-K43 WeakPolarHBondContact O-CB 3.34Å; A39-K43 PolarHBondContact O-N 3.07Å; F41-K43 VanDerWaalsContact C-N 3.31Å; F41-K43 PolarHBondContact O-N 2.92Å; K43-F45 VanDerWaalsContact C-N 3.32Å; K43-F45 PolarHBondContact O-N 2.85Å; K43-C46 PolarHBondContact O-N 3.27Å; K43-D47 VanDerWaalsContact O-CB 3.29Å; K43-D47 WeakPolarHBondContact O-CB 3.25Å; K43-D47 PolarHBondContact O-N 3.37Å
44	W	67.5	Low	51.3	Low	117 Å²	117	80.2 Å²	80.2	44%	0.443	45%	0.453	S	S	.	.	H	α-helix	trans	-58.3	-45.2	175.3	175.7	83.9	0	0	0	111.4	A40 F41 D47 H48 F52	A40-W44 VanDerWaalsContact O-CB 3.27Å; A40-W44 WeakPolarHBondContact O-CB 3.35Å; A40-W44 PolarHBondContact O-N 3.03Å; F41-W44 HydrophobicContact CD2-CE3 4.36Å; F41-W44 HydrophobicContact CE2-CE3 4.28Å; F41-W44 HydrophobicContact CE2-CZ3 4.29Å; F41-W44 PolarHBondContact O-N 3.22Å; W44-D47 PolarHBondContact O-N 3.21Å; W44-H48 AromaticContact CD1-CE1 3.27Å; W44-H48 AromaticContact CD1-ND1 3.46Å; W44-H48 AromaticContact CE2-ND1 3.9Å; W44-H48 AromaticContact CG-ND1 3.88Å; W44-H48 AromaticContact NE1-CD2 3.96Å; W44-H48 AromaticContact NE1-CE1 3.22Å; W44-H48 PolarHBondContact NE1-CE1 3.49Å; W44-H48 AromaticContact NE1-CG 3.91Å; W44-H48 AromaticContact NE1-ND1 3.44Å; W44-H48 PolarHBondContact NE1-ND1 3.26Å; W44-H48 AromaticContact NE1-NE2 3.51Å; W44-H48 WeakPolarHBondContact O-CB 3.06Å; W44-H48 PolarHBondContact O-N 2.83Å; W44-H48 PolarHBondContact O-ND1 3.03Å; W44-F52 HydrophobicContact CH2-CE2 4.3Å; W44-F52 AromaticContact CH2-CZ 3.74Å; W44-F52 HydrophobicContact CH2-CZ 3.74Å; W44-F52 HydrophobicContact CZ2-CZ 4.43Å; W44-F52 HydrophobicContact CZ3-CE2 4.43Å; W44-F52 HydrophobicContact CZ3-CZ 4.24Å
45	F	52.1	Low	49.7	Very low	34 Å²	34	83 Å²	83	15%	0.149	46%	0.459	C	S	.	.	H	α-helix	trans	-62.3	-47.3	178.9	-175.4	-86.6	0	0	0	111.3	A11 L15 F41 L42 K43 D47 H48 A49 F52	A11-F45 HydrophobicContact CB-CD1 4.37Å; A11-F45 HydrophobicContact CB-CE1 3.26Å; A11-F45 HydrophobicContact CB-CE2 4.42Å; A11-F45 HydrophobicContact CB-CZ 3.3Å; L15-F45 HydrophobicContact CD1-CE2 4.15Å; F41-F45 VanDerWaalsContact O-CB 3.27Å; F41-F45 WeakPolarHBondContact O-CB 3.48Å; F41-F45 PolarHBondContact O-N 3.23Å; L42-F45 PolarHBondContact O-N 3.22Å; K43-F45 VanDerWaalsContact C-N 3.32Å; K43-F45 PolarHBondContact O-N 2.85Å; F45-D47 VanDerWaalsContact C-N 3.35Å; F45-D47 PolarHBondContact O-N 3.36Å; F45-H48 CarbonylContact O-C 3.57Å; F45-H48 PolarHBondContact O-N 3.01Å; F45-A49 HydrophobicContact CE1-CB 4.46Å; F45-A49 WeakPolarHBondContact O-CA 3.42Å; F45-A49 WeakPolarHBondContact O-CB 3.42Å; F45-A49 PolarHBondContact O-N 3.06Å; F45-F52 HydrophobicContact CD2-CE2 4.47Å; F45-F52 HydrophobicContact CE2-CD2 4.41Å; F45-F52 HydrophobicContact CE2-CE2 4.42Å
46	C	53.8	Low	48.2	Very low	67 Å²	67	86.4 Å²	86.4	45%	0.453	48%	0.477	S	S	.	.	H	α-helix	trans	-62.5	-40.3	175	-70.4	0	0	0	0	112.2	L42 K43 H48	L42-C46 WeakPolarHBondContact O-CB 3.02Å; L42-C46 PolarHBondContact O-N 3.45Å; L42-C46 PolarHBondContact O-SG 3.04Å; K43-C46 PolarHBondContact O-N 3.27Å; C46-H48 PolarHBondContact O-N 3.09Å
47	D	54.5	Low	46.7	Very low	101 Å²	101	93.6 Å²	93.6	54%	0.54	49%	0.492	S	S	.	.	H	α-helix	trans	-66.6	-25.6	177.9	-71.3	-18	0	0	0	112.2	K43 W44 F45	K43-D47 VanDerWaalsContact O-CB 3.29Å; K43-D47 WeakPolarHBondContact O-CB 3.25Å; K43-D47 PolarHBondContact O-N 3.37Å; W44-D47 PolarHBondContact O-N 3.21Å; F45-D47 VanDerWaalsContact C-N 3.35Å; F45-D47 PolarHBondContact O-N 3.36Å
48	H	55.4	Low	45.8	Very low	62 Å²	62	93 Å²	93	29%	0.287	50%	0.498	S	S	.	.	H	α-helix	trans	-111.8	2.3	-178.6	-61.8	71.3	0	0	0	113.2	W44 F45 C46 S50 D51 F52	W44-H48 AromaticContact CD1-CE1 3.27Å; W44-H48 AromaticContact CD1-ND1 3.46Å; W44-H48 AromaticContact CE2-ND1 3.9Å; W44-H48 AromaticContact CG-ND1 3.88Å; W44-H48 AromaticContact NE1-CD2 3.96Å; W44-H48 AromaticContact NE1-CE1 3.22Å; W44-H48 PolarHBondContact NE1-CE1 3.49Å; W44-H48 AromaticContact NE1-CG 3.91Å; W44-H48 AromaticContact NE1-ND1 3.44Å; W44-H48 PolarHBondContact NE1-ND1 3.26Å; W44-H48 AromaticContact NE1-NE2 3.51Å; W44-H48 WeakPolarHBondContact O-CB 3.06Å; W44-H48 PolarHBondContact O-N 2.83Å; W44-H48 PolarHBondContact O-ND1 3.03Å; F45-H48 CarbonylContact O-C 3.57Å; F45-H48 PolarHBondContact O-N 3.01Å; C46-H48 PolarHBondContact O-N 3.09Å; H48-S50 PolarHBondContact O-N 3.41Å; H48-D51 HydrophobicContact CB-CB 4.4Å; H48-D51 IonicContact CD2-OD2 3.96Å; H48-D51 PolarHBondContact CD2-OD2 3.29Å; H48-D51 IonicContact CG-OD2 3.44Å; H48-D51 WeakPolarHBondContact O-CA 3.41Å; H48-D51 VanDerWaalsContact O-CB 3.28Å; H48-D51 WeakPolarHBondContact O-CB 3.3Å; H48-D51 PolarHBondContact O-N 2.98Å; H48-F52 HydrophobicContact CB-CD2 4.37Å; H48-F52 HydrophobicContact CB-CE2 3.74Å; H48-F52 HydrophobicContact CB-CZ 4.4Å; H48-F52 WeakPolarHBondContact O-CD2 3.24Å; H48-F52 WeakPolarHBondContact O-CE2 3.44Å; H48-F52 PolarHBondContact O-N 3.44Å; H48-F52 VanDerWaalsContact O-N 3.14Å
49	A	46.4	Very low	44.6	Very low	43 Å²	43	97.9 Å²	97.9	36%	0.355	52%	0.524	S	S	.	.	H	α-helix	trans	-57.8	-34.6	-179.7	0	0	0	0	0	111.7	F45 D51 F52 S53	F45-A49 HydrophobicContact CE1-CB 4.46Å; F45-A49 WeakPolarHBondContact O-CA 3.42Å; F45-A49 WeakPolarHBondContact O-CB 3.42Å; F45-A49 PolarHBondContact O-N 3.06Å; A49-D51 VanDerWaalsContact C-N 3.33Å; A49-F52 PolarHBondContact O-N 3.31Å; A49-S53 PolarHBondContact O-N 3.04Å
50	S	43	Very low	43.5	Very low	78 Å²	78	103 Å²	103	55%	0.545	55%	0.551	S	S	.	*	H	α-helix	trans	-67.8	-30.2	171.7	51.5	0	0	0	0	113.1	H48 F52 S53	H48-S50 PolarHBondContact O-N 3.41Å; S50-F52 VanDerWaalsContact C-N 3.31Å; S50-S53 WeakPolarHBondContact O-CB 3.41Å; S50-S53 PolarHBondContact O-N 3.37Å; S50-S53 PolarHBondContact O-OG 3.49Å
51	D	42.6	Very low	42.2	Very low	100 Å²	100	104.9 Å²	104.9	54%	0.535	57%	0.567	S	S	.	*	H	α-helix	trans	-73.4	-28.8	177.8	-60.1	-19	0	0	0	111	H48 A49 S53	H48-D51 HydrophobicContact CB-CB 4.4Å; H48-D51 IonicContact CD2-OD2 3.96Å; H48-D51 PolarHBondContact CD2-OD2 3.29Å; H48-D51 IonicContact CG-OD2 3.44Å; H48-D51 WeakPolarHBondContact O-CA 3.41Å; H48-D51 VanDerWaalsContact O-CB 3.28Å; H48-D51 WeakPolarHBondContact O-CB 3.3Å; H48-D51 PolarHBondContact O-N 2.98Å; A49-D51 VanDerWaalsContact C-N 3.33Å; D51-S53 VanDerWaalsContact C-N 3.35Å
52	F	40.6	Very low	41	Very low	92 Å²	92	106.9 Å²	106.9	40%	0.404	58%	0.582	S	S	.	*	H	α-helix	trans	-78.7	-14.3	173	-59.6	-63.8	0	0	0	114	W44 F45 H48 A49 S50 V54 I55	W44-F52 HydrophobicContact CH2-CE2 4.3Å; W44-F52 AromaticContact CH2-CZ 3.74Å; W44-F52 HydrophobicContact CH2-CZ 3.74Å; W44-F52 HydrophobicContact CZ2-CZ 4.43Å; W44-F52 HydrophobicContact CZ3-CE2 4.43Å; W44-F52 HydrophobicContact CZ3-CZ 4.24Å; F45-F52 HydrophobicContact CD2-CE2 4.47Å; F45-F52 HydrophobicContact CE2-CD2 4.41Å; F45-F52 HydrophobicContact CE2-CE2 4.42Å; H48-F52 HydrophobicContact CB-CD2 4.37Å; H48-F52 HydrophobicContact CB-CE2 3.74Å; H48-F52 HydrophobicContact CB-CZ 4.4Å; H48-F52 WeakPolarHBondContact O-CD2 3.24Å; H48-F52 WeakPolarHBondContact O-CE2 3.44Å; H48-F52 PolarHBondContact O-N 3.44Å; H48-F52 VanDerWaalsContact O-N 3.14Å; A49-F52 PolarHBondContact O-N 3.31Å; S50-F52 VanDerWaalsContact C-N 3.31Å; F52-V54 PolarHBondContact O-N 3.39Å; F52-I55 PolarHBondContact O-N 3.01Å
53	S	37.1	Very low	39.6	Very low	77 Å²	77	111.3 Å²	111.3	54%	0.538	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.3	-0.8	177.7	74.8	0	0	0	0	114.9	A49 S50 D51 I55	A49-S53 PolarHBondContact O-N 3.04Å; S50-S53 WeakPolarHBondContact O-CB 3.41Å; S50-S53 PolarHBondContact O-N 3.37Å; S50-S53 PolarHBondContact O-OG 3.49Å; D51-S53 VanDerWaalsContact C-N 3.35Å; S53-I55 PolarHBondContact O-N 2.92Å
54	V	33	Very low	38.2	Very low	128 Å²	128	109.6 Å²	109.6	78%	0.776	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-2.9	174.9	-173.8	0	0	0	0	112.5	F52	F52-V54 PolarHBondContact O-N 3.39Å
55	I	29.4	Very low	36.4	Very low	150 Å²	150	109.6 Å²	109.6	77%	0.769	64%	0.639	S	S	*	*			trans	-104.3	72.7	168.2	-50.9	177.8	0	0	0	108.9	F52 S53	F52-I55 PolarHBondContact O-N 3.01Å; S53-I55 PolarHBondContact O-N 2.92Å
56	N	27.4	Very low	35.3	Very low	133 Å²	133	112.6 Å²	112.6	71%	0.711	67%	0.671	S	S	*	*			trans	-135.9	83	167.9	-151.3	1.9	0	0	0	109.1
57	R	26.8	Very low	34	Very low	248 Å²	248	117.6 Å²	117.6	94%	0.936	69%	0.693	S	S	*	*			trans	-151.5	83.4	165.6	-78.5	-160.4	173.2	174.2	-2.8	111.2
58	S	29.4	Very low	32.8	Very low	112 Å²	112	121.1 Å²	121.1	78%	0.783	71%	0.706	S	S	*	*			trans	-152.9	115.3	130.2	50.7	0	0	0	0	108.1
59	D	27.5	Very low	31.7	Very low	153 Å²	153	125.3 Å²	125.3	82%	0.818	74%	0.736	S	S	*	*			trans	-40.3	140.6	170.2	-68.1	-60.9	0	0	0	112.7
60	T	28.2	Very low	30.7	Very low	145 Å²	145	132.2 Å²	132.2	89%	0.89	76%	0.761	S	S	*	*			trans	121.4	75.8	156.2	62.5	0	0	0	0	116
61	A	27.8	Very low	30	Very low	98 Å²	98	133.7 Å²	133.7	81%	0.81	77%	0.771	S	S	*	*	S	Bend	trans	-170.4	-17.1	146.3	0	0	0	0	0	116.5
62	L	26.7	Very low	29.3	Very low	151 Å²	151	133.5 Å²	133.5	79%	0.791	78%	0.778	S	S	*	*			trans	-135.1	54.9	-176.6	-89.8	150	0	0	0	112.5	S64	L62-S64 PolarHBondContact O-N 2.88Å
63	A	26.5	Very low	28.7	Very low	108 Å²	108	136.3 Å²	136.3	89%	0.893	80%	0.802	S	S	*	*			trans	-94.8	42.5	176.8	0	0	0	0	0	113.1
64	S	26.9	Very low	28.1	Very low	104 Å²	104	140.8 Å²	140.8	73%	0.727	82%	0.815	S	S	*	*	S	Bend	trans	-141.7	5.9	-176.7	70.2	0	0	0	0	117.9	L62	L62-S64 PolarHBondContact O-N 2.88Å
65	T	30.1	Very low	27.9	Very low	117 Å²	117	142.7 Å²	142.7	72%	0.718	82%	0.815	S	S	*	*	S	Bend	trans	-139.5	9.1	-170.3	34.8	0	0	0	0	117.4
66	A	28	Very low	27.8	Very low	98 Å²	98	141 Å²	141	81%	0.81	81%	0.812	S	S	*	*			trans	-130.5	34.6	-178.9	0	0	0	0	0	114.1	E68	A66-E68 PolarHBondContact O-N 3.42Å
67	D	27.3	Very low	27.7	Very low	172 Å²	172	141.6 Å²	141.6	92%	0.92	82%	0.82	S	S	*	*			trans	-76.7	10	173.5	-122.5	-10.3	0	0	0	113.5
68	E	29.8	Very low	27.5	Very low	174 Å²	174	135 Å²	135	81%	0.813	81%	0.81	S	S	*	*			trans	-137.1	99.2	-176.2	-68.9	-177.2	167.6	0	0	109.1	A66	A66-E68 PolarHBondContact O-N 3.42Å
69	V	31.4	Very low	27.2	Very low	151 Å²	151	134.6 Å²	134.6	92%	0.915	81%	0.807	S	S	*	*			trans	167.8	85.5	138.2	173.5	0	0	0	0	106.5
70	Q	25.9	Very low	26.9	Very low	187 Å²	187	134.2 Å²	134.2	87%	0.874	81%	0.814	S	S	*	*			trans	-81.4	156.8	168.5	-89.3	-178.1	-24.2	0	0	111.8
71	S	26.9	Very low	26.7	Very low	110 Å²	110	131.4 Å²	131.4	77%	0.769	81%	0.806	S	S	*	*			trans	92.6	144.2	147.4	144.6	0	0	0	0	118.6
72	S	28.3	Very low	26.6	Very low	95 Å²	95	138.1 Å²	138.1	66%	0.664	81%	0.812	S	S	*	*			cis	177.4	125.1	-26.3	47.5	0	0	0	0	106.3
73	V	28.1	Very low	26.5	Very low	151 Å²	151	134.8 Å²	134.8	92%	0.915	81%	0.806	S	S	*	*			trans	-141.8	113.9	162.6	-178.2	0	0	0	0	109.4
74	E	26	Very low	26.4	Very low	172 Å²	172	134.6 Å²	134.6	80%	0.804	80%	0.804	S	S	*	*			trans	-74.8	144.1	169.6	-64.4	173.7	138	0	0	110.5
75	E	28.1	Very low	26.2	Very low	167 Å²	167	137.6 Å²	137.6	78%	0.78	81%	0.811	S	S	*	*				160	128.6	111.1	-91.1	-166.1	156.1	0	0	114.1
76	T	26.3	Very low	26.2	Very low	116 Å²	116	136.1 Å²	136.1	71%	0.712	81%	0.806	S	S	*	*			trans	73.8	101.8	142.2	61.4	0	0	0	0	121.2
77	T	26.9	Very low	26.4	Very low	144 Å²	144	139 Å²	139	88%	0.883	80%	0.802	S	S	*	*				172.1	155.4	103.7	23.4	0	0	0	0	111.6
78	P	22.6	Very low	26.4	Very low	110 Å²	110	139.1 Å²	139.1	71%	0.714	80%	0.797	S	S	*	*			trans	-109.4	157.2	-143.1	33.9	-21.1	0	0	0	117.3
79	S	21.3	Very low	26.5	Very low	103 Å²	103	137.3 Å²	137.3	72%	0.72	79%	0.794	S	S	*	*			trans	66.2	97.9	143.9	70	0	0	0	0	121
80	C	22.9	Very low	26.4	Very low	145 Å²	145	136 Å²	136	98%	0.98	78%	0.778	S	S	*	*			trans	-139	79.6	131	-92.7	0	0	0	0	108.6
81	A	22.5	Very low	26.5	Very low	86 Å²	86	132.8 Å²	132.8	71%	0.711	77%	0.765	S	S	*	*			trans	-99.7	120.3	166.2	0	0	0	0	0	108.1
82	Y	25.5	Very low	26.7	Very low	240 Å²	240	130.8 Å²	130.8	94%	0.941	75%	0.751	S	S	*	*			trans	161.9	117.7	158.9	-94.3	-71.4	0	0	0	105.1
83	A	25.4	Very low	26.8	Very low	80 Å²	80	129.5 Å²	129.5	66%	0.661	74%	0.742	S	S	*	*			cis	-152.3	118.9	6.8	0	0	0	0	0	108.3	L85	A83-L85 PolarHBondContact O-N 2.95Å
84	A	24.2	Very low	26.8	Very low	104 Å²	104	127.1 Å²	127.1	86%	0.86	72%	0.724	S	S	*	*			trans	-67.1	106.5	152.8	0	0	0	0	0	106.6
85	L	23.8	Very low	27	Very low	167 Å²	167	122.5 Å²	122.5	87%	0.874	71%	0.711	S	S	*	*			trans	-178	78.2	169	-99.7	154.8	0	0	0	109.6	A83	A83-L85 PolarHBondContact O-N 2.95Å
86	S	29.6	Very low	27.2	Very low	87 Å²	87	117.6 Å²	117.6	61%	0.608	70%	0.699	S	S	*	*			trans	-178.9	2.5	150.5	70.3	0	0	0	0	114.9	E88 N89	S86-E88 PolarHBondContact O-N 3.46Å; S86-E88 VanDerWaalsContact O-N 3.16Å; S86-N89 PolarHBondContact O-N 2.83Å
87	H	30.6	Very low	27.6	Very low	157 Å²	157	119.3 Å²	119.3	73%	0.727	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-13.8	-171.6	-118.8	-77	0	0	0	115.6
88	E	28.7	Very low	27.7	Very low	175 Å²	175	118 Å²	118	82%	0.818	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-15.2	-179.7	-83.6	178.5	143.6	0	0	114.7	S86	S86-E88 PolarHBondContact O-N 3.46Å; S86-E88 VanDerWaalsContact O-N 3.16Å
89	N	31.4	Very low	28.1	Very low	137 Å²	137	116.2 Å²	116.2	73%	0.733	68%	0.676	S	S	*	*	S	Bend	trans	-102.5	6.8	-178.3	-85.6	-22.3	0	0	0	114.7	S86	S86-N89 PolarHBondContact O-N 2.83Å
90	Q	29.8	Very low	28.5	Very low	124 Å²	124	118.2 Å²	118.2	58%	0.579	68%	0.675	S	S	*	*	S	Bend	trans	-98.3	-16.3	169.6	-74.5	-174	-16	0	0	112.8	S93	Q90-S93 PolarHBondContact O-OG 3Å; Q90-S93 VanDerWaalsContact O-OG 3.11Å
91	L	27.6	Very low	29	Very low	118 Å²	118	114 Å²	114	62%	0.618	65%	0.647	S	S	*	*	H	α-helix	trans	-80.1	-22.5	178.9	-77.7	160.2	0	0	0	113	S95	L91-S95 PolarHBondContact O-N 3.4Å; L91-S95 PolarHBondContact O-OG 3.48Å
92	S	30.8	Very low	29.4	Very low	68 Å²	68	115.1 Å²	115.1	48%	0.476	64%	0.642	S	S	.	*	H	α-helix	trans	-80.3	-22.1	177.4	41.2	0	0	0	0	114.2	S95	S92-S95 WeakPolarHBondContact CA-OG 3.5Å; S92-S95 PolarHBondContact O-OG 3.27Å
93	S	30.7	Very low	29.9	Very low	68 Å²	68	106.9 Å²	106.9	48%	0.476	62%	0.619	S	S	.	*	H	α-helix	trans	-84.2	-31.7	172.8	46.6	0	0	0	0	112.9	Q90 A96 E97	Q90-S93 PolarHBondContact O-OG 3Å; Q90-S93 VanDerWaalsContact O-OG 3.11Å; S93-A96 PolarHBondContact O-N 2.72Å; S93-E97 PolarHBondContact O-N 3.08Å
94	L	27.7	Very low	30.3	Very low	102 Å²	102	106.4 Å²	106.4	53%	0.534	61%	0.608	S	S	.	*	H	α-helix	trans	-72	-30.7	175.6	-89.4	152.7	0	0	0	112.6	A96 L98	L94-A96 VanDerWaalsContact C-N 3.3Å; L94-A96 PolarHBondContact O-N 3.18Å; L94-L98 WeakPolarHBondContact O-CD1 3.36Å; L94-L98 PolarHBondContact O-N 2.73Å
95	S	31.2	Very low	31.2	Very low	75 Å²	75	105.9 Å²	105.9	52%	0.524	59%	0.591	S	S	.	*	H	α-helix	trans	-75.4	-15.9	175.8	33.4	0	0	0	0	113.8	L91 S92	L91-S95 PolarHBondContact O-N 3.4Å; L91-S95 PolarHBondContact O-OG 3.48Å; S92-S95 WeakPolarHBondContact CA-OG 3.5Å; S92-S95 PolarHBondContact O-OG 3.27Å
96	A	32.7	Very low	32.3	Very low	63 Å²	63	105.4 Å²	105.4	52%	0.521	58%	0.584	S	S	.	*	H	α-helix	trans	-92.5	-21.7	175.4	0	0	0	0	0	113.7	S93 L94 S99	S93-A96 PolarHBondContact O-N 2.72Å; L94-A96 VanDerWaalsContact C-N 3.3Å; L94-A96 PolarHBondContact O-N 3.18Å; A96-S99 PolarHBondContact O-OG 2.82Å
97	E	33.5	Very low	32.9	Very low	152 Å²	152	108.9 Å²	108.9	71%	0.71	59%	0.591	S	S	*	*	H	α-helix	trans	-83	-23	169.4	-78	177.7	161.2	0	0	112	S93 S99	S93-E97 PolarHBondContact O-N 3.08Å; E97-S99 VanDerWaalsContact C-N 3.31Å; E97-S99 PolarHBondContact O-N 3.47Å
98	L	29.7	Very low	33.5	Very low	116 Å²	116	103.4 Å²	103.4	61%	0.607	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-71.6	-16.2	171.8	-88.6	156.3	0	0	0	113.9	L94 M100 S101	L94-L98 WeakPolarHBondContact O-CD1 3.36Å; L94-L98 PolarHBondContact O-N 2.73Å; L98-M100 VanDerWaalsContact C-N 3.3Å; L98-M100 PolarHBondContact O-N 3.01Å; L98-S101 WeakPolarHBondContact O-CB 3.43Å; L98-S101 PolarHBondContact O-N 2.77Å; L98-S101 PolarHBondContact O-OG 2.91Å
99	S	29.7	Very low	34.4	Very low	74 Å²	74	99 Å²	99	52%	0.517	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-81	-4.9	177.2	75.8	0	0	0	0	114.6	A96 E97	A96-S99 PolarHBondContact O-OG 2.82Å; E97-S99 VanDerWaalsContact C-N 3.31Å; E97-S99 PolarHBondContact O-N 3.47Å
100	M	31.4	Very low	34.8	Very low	144 Å²	144	95.8 Å²	95.8	71%	0.709	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-79	-8.4	166.4	-75.1	-97.5	159.9	0	0	112.3	L98 S103	L98-M100 VanDerWaalsContact C-N 3.3Å; L98-M100 PolarHBondContact O-N 3.01Å; M100-S103 PolarHBondContact O-OG 3.31Å; M100-S103 VanDerWaalsContact O-OG 3.08Å
101	S	31.9	Very low	35.2	Very low	56 Å²	56	92.6 Å²	92.6	39%	0.392	54%	0.539	S	S	.	.	H	α-helix	trans	-78.9	-22.2	175	69.8	0	0	0	0	113.2	L98 V104 N105	L98-S101 WeakPolarHBondContact O-CB 3.43Å; L98-S101 PolarHBondContact O-N 2.77Å; L98-S101 PolarHBondContact O-OG 2.91Å; S101-V104 PolarHBondContact O-N 3.02Å; S101-N105 PolarHBondContact O-N 3.25Å
102	D	31.6	Very low	36.1	Very low	110 Å²	110	90.2 Å²	90.2	59%	0.588	53%	0.53	S	S	*	.	H	α-helix	trans	-74.9	-25.5	178	-72.2	-32.5	0	0	0	112.8
103	S	36.1	Very low	36.7	Very low	68 Å²	68	92.3 Å²	92.3	48%	0.476	54%	0.543	S	S	.	.	H	α-helix	trans	-78.5	-23	174.6	57.4	0	0	0	0	113.5	M100	M100-S103 PolarHBondContact O-OG 3.31Å; M100-S103 VanDerWaalsContact O-OG 3.08Å
104	V	33.8	Very low	36.8	Very low	69 Å²	69	94.8 Å²	94.8	42%	0.418	55%	0.549	S	S	.	.	H	α-helix	trans	-74.9	-33	174.7	-178.4	0	0	0	0	109.9	S101 E106 E107 F108	S101-V104 PolarHBondContact O-N 3.02Å; V104-E106 VanDerWaalsContact C-N 3.3Å; V104-E106 PolarHBondContact O-N 2.95Å; V104-E107 PolarHBondContact O-N 3.27Å; V104-F108 HydrophobicContact CG1-CD2 3.65Å; V104-F108 HydrophobicContact CG1-CE2 3.31Å; V104-F108 HydrophobicContact CG1-CZ 4.1Å; V104-F108 WeakPolarHBondContact O-CD2 3.49Å; V104-F108 PolarHBondContact O-N 2.92Å
105	N	42.5	Very low	37.2	Very low	93 Å²	93	94.8 Å²	94.8	50%	0.497	55%	0.546	S	S	.	.	H	α-helix	trans	-68.7	-22.1	178.8	-84.3	-35.9	0	0	0	114.8	S101	S101-N105 PolarHBondContact O-N 3.25Å
106	E	46.7	Very low	37.8	Very low	157 Å²	157	95 Å²	95	73%	0.734	54%	0.536	S	S	*	.	H	α-helix	trans	-77.1	-38	176.2	-71.3	-167.2	157.9	0	0	112.6	V104 F108 S109	V104-E106 VanDerWaalsContact C-N 3.3Å; V104-E106 PolarHBondContact O-N 2.95Å; E106-F108 VanDerWaalsContact C-N 3.34Å; E106-S109 PolarHBondContact O-OG 3.3Å
107	E	43.6	Very low	38	Very low	161 Å²	161	98.6 Å²	98.6	75%	0.752	54%	0.54	S	S	*	.	H	α-helix	trans	-73.4	-25.4	177	-73	-174.5	157	0	0	113	V104	V104-E107 PolarHBondContact O-N 3.27Å
108	F	43.4	Very low	38.1	Very low	41 Å²	41	95.9 Å²	95.9	18%	0.18	53%	0.53	C	S	.	.	G	3₁₀ helix	trans	-83.8	-10.5	-179	-82.2	-109.8	0	0	0	114.1	V104 E106 G110 L111 F119	V104-F108 HydrophobicContact CG1-CD2 3.65Å; V104-F108 HydrophobicContact CG1-CE2 3.31Å; V104-F108 HydrophobicContact CG1-CZ 4.1Å; V104-F108 WeakPolarHBondContact O-CD2 3.49Å; V104-F108 PolarHBondContact O-N 2.92Å; E106-F108 VanDerWaalsContact C-N 3.34Å; F108-G110 PolarHBondContact O-N 3.23Å; F108-L111 HydrophobicContact CD1-CD1 3.84Å; F108-L111 HydrophobicContact CE1-CD1 4.23Å; F108-L111 HydrophobicContact CG-CD1 4.39Å; F108-L111 PolarHBondContact O-N 2.88Å; F108-F119 HydrophobicContact CE1-CB 4.35Å; F108-F119 AromaticContact CE1-CD1 3.5Å; F108-F119 HydrophobicContact CE1-CD1 3.5Å; F108-F119 VanDerWaalsContact CE1-CD1 3.5Å; F108-F119 AromaticContact CE1-CE1 3.82Å; F108-F119 HydrophobicContact CE1-CE1 3.82Å; F108-F119 AromaticContact CE1-CG 3.89Å; F108-F119 HydrophobicContact CE1-CG 3.89Å; F108-F119 HydrophobicContact CE1-CZ 4.47Å; F108-F119 AromaticContact CZ-CD1 3.9Å; F108-F119 HydrophobicContact CZ-CD1 3.9Å; F108-F119 AromaticContact CZ-CE1 3.72Å; F108-F119 HydrophobicContact CZ-CE1 3.72Å; F108-F119 HydrophobicContact CZ-CZ 4.29Å
109	S	47.7	Very low	38.5	Very low	84 Å²	84	95 Å²	95	59%	0.587	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-68.2	-18.8	177.8	68.5	0	0	0	0	113.6	E106	E106-S109 PolarHBondContact O-OG 3.3Å
110	G	39.2	Very low	39.3	Very low	68 Å²	68	96.2 Å²	96.2	70%	0.701	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-88.3	-6.1	178.9	0	0	0	0	0	115.7	F108	F108-G110 PolarHBondContact O-N 3.23Å
111	L	38.7	Very low	39.8	Very low	58 Å²	58	91.8 Å²	91.8	30%	0.304	50%	0.502	S	S	.	.	S	Bend	trans	-81.7	137.8	-177.9	-70.6	170.2	0	0	0	111.6	F108 Q115	F108-L111 HydrophobicContact CD1-CD1 3.84Å; F108-L111 HydrophobicContact CE1-CD1 4.23Å; F108-L111 HydrophobicContact CG-CD1 4.39Å; F108-L111 PolarHBondContact O-N 2.88Å; L111-Q115 HydrophobicContact CB-CB 4.43Å; L111-Q115 HydrophobicContact CD2-CB 4.49Å
112	P	45	Very low	40	Very low	67 Å²	67	93.7 Å²	93.7	44%	0.435	51%	0.505	S	S	.	.			trans	-50.3	142.2	167.9	-24.6	31.9	0	0	0	111.4	I114 Q115 R116	P112-I114 PolarHBondContact O-N 2.93Å; P112-Q115 PolarHBondContact O-N 2.97Å; P112-R116 PolarHBondContact O-N 3.45Å
113	P	43.2	Very low	40.4	Very low	113 Å²	113	92.1 Å²	92.1	73%	0.734	50%	0.496	S	S	*	.	H	α-helix	trans	-50.8	-33.9	-173.7	-29.3	33.8	0	0	0	114.9	F117	P113-F117 WeakPolarHBondContact O-CB 3.49Å; P113-F117 PolarHBondContact O-N 2.91Å
114	I	33.9	Very low	40.7	Very low	120 Å²	120	96.3 Å²	96.3	62%	0.615	50%	0.502	S	S	*	.	H	α-helix	trans	-74.6	-34.8	179.7	-159.1	154.2	0	0	0	113.1	P112 L118	P112-I114 PolarHBondContact O-N 2.93Å; I114-L118 WeakPolarHBondContact O-CB 3.42Å; I114-L118 VanDerWaalsContact O-CG 3.24Å; I114-L118 WeakPolarHBondContact O-CG 3.27Å; I114-L118 PolarHBondContact O-N 2.9Å
115	Q	36.5	Very low	40.9	Very low	101 Å²	101	99 Å²	99	47%	0.472	51%	0.508	S	S	.	.	H	α-helix	trans	-71.5	-38	174.5	-76.2	-177	-19.1	0	0	110.3	L111 P112 L118 F119	L111-Q115 HydrophobicContact CB-CB 4.43Å; L111-Q115 HydrophobicContact CD2-CB 4.49Å; P112-Q115 PolarHBondContact O-N 2.97Å; Q115-L118 PolarHBondContact O-N 2.96Å; Q115-F119 WeakPolarHBondContact O-CB 3.39Å; Q115-F119 PolarHBondContact O-N 3.07Å
116	R	42.9	Very low	40.6	Very low	80 Å²	80	97.9 Å²	97.9	30%	0.302	50%	0.502	S	S	.	.	H	α-helix	trans	-60.6	-47.6	172.8	-160.3	-179.4	-165.2	150.6	9.1	111.8	P112 F119 E120	P112-R116 PolarHBondContact O-N 3.45Å; R116-F119 PolarHBondContact O-N 3.41Å; R116-E120 WeakPolarHBondContact CG-OE1 3.42Å; R116-E120 IonicContact NE-OE1 3.58Å; R116-E120 WeakPolarHBondContact O-CB 3.3Å; R116-E120 VanDerWaalsContact O-CG 3.3Å; R116-E120 WeakPolarHBondContact O-CG 3.34Å; R116-E120 PolarHBondContact O-N 3.35Å
117	F	37.5	Very low	40.4	Very low	138 Å²	138	95 Å²	95	61%	0.605	49%	0.491	S	S	*	.	H	α-helix	trans	-61.5	-44.2	175.8	179.1	-95.9	0	0	0	112.7	P113 E120 S121	P113-F117 WeakPolarHBondContact O-CB 3.49Å; P113-F117 PolarHBondContact O-N 2.91Å; F117-E120 PolarHBondContact O-N 2.97Å; F117-S121 VanDerWaalsContact O-CB 3.23Å; F117-S121 WeakPolarHBondContact O-CB 3.15Å; F117-S121 PolarHBondContact O-N 3.41Å; F117-S121 PolarHBondContact O-OG 2.8Å
118	L	35.1	Very low	40.4	Very low	96 Å²	96	91 Å²	91	50%	0.503	48%	0.475	S	S	.	.	H	α-helix	trans	-61.8	-46.6	177.2	-74	168.1	0	0	0	110.9	I114 Q115 S121 E122	I114-L118 WeakPolarHBondContact O-CB 3.42Å; I114-L118 VanDerWaalsContact O-CG 3.24Å; I114-L118 WeakPolarHBondContact O-CG 3.27Å; I114-L118 PolarHBondContact O-N 2.9Å; Q115-L118 PolarHBondContact O-N 2.96Å; L118-S121 WeakPolarHBondContact CA-OG 3.09Å; L118-S121 PolarHBondContact O-N 3.3Å; L118-S121 PolarHBondContact O-OG 3.43Å; L118-E122 VanDerWaalsContact O-CB 3.28Å; L118-E122 WeakPolarHBondContact O-CB 3.25Å; L118-E122 PolarHBondContact O-N 3.01Å
119	F	38.3	Very low	40.1	Very low	98 Å²	98	92.3 Å²	92.3	43%	0.43	48%	0.482	S	S	.	.	H	α-helix	trans	-64.3	-42.1	178.6	-136.3	-80.3	0	0	0	112.6	F108 Q115 R116 E122 N123	F108-F119 HydrophobicContact CE1-CB 4.35Å; F108-F119 AromaticContact CE1-CD1 3.5Å; F108-F119 HydrophobicContact CE1-CD1 3.5Å; F108-F119 VanDerWaalsContact CE1-CD1 3.5Å; F108-F119 AromaticContact CE1-CE1 3.82Å; F108-F119 HydrophobicContact CE1-CE1 3.82Å; F108-F119 AromaticContact CE1-CG 3.89Å; F108-F119 HydrophobicContact CE1-CG 3.89Å; F108-F119 HydrophobicContact CE1-CZ 4.47Å; F108-F119 AromaticContact CZ-CD1 3.9Å; F108-F119 HydrophobicContact CZ-CD1 3.9Å; F108-F119 AromaticContact CZ-CE1 3.72Å; F108-F119 HydrophobicContact CZ-CE1 3.72Å; F108-F119 HydrophobicContact CZ-CZ 4.29Å; Q115-F119 WeakPolarHBondContact O-CB 3.39Å; Q115-F119 PolarHBondContact O-N 3.07Å; R116-F119 PolarHBondContact O-N 3.41Å; F119-E122 PolarHBondContact O-N 3.48Å; F119-N123 WeakPolarHBondContact O-CB 3.39Å; F119-N123 PolarHBondContact O-N 2.93Å
120	E	46.9	Very low	39.4	Very low	98 Å²	98	92.9 Å²	92.9	46%	0.458	48%	0.477	S	S	.	.	H	α-helix	trans	-66.2	-38.9	175.7	-75.4	170.2	-175.8	0	0	111.7	R116 F117 R124	R116-E120 WeakPolarHBondContact CG-OE1 3.42Å; R116-E120 IonicContact NE-OE1 3.58Å; R116-E120 WeakPolarHBondContact O-CB 3.3Å; R116-E120 VanDerWaalsContact O-CG 3.3Å; R116-E120 WeakPolarHBondContact O-CG 3.34Å; R116-E120 PolarHBondContact O-N 3.35Å; F117-E120 PolarHBondContact O-N 2.97Å; E120-R124 WeakPolarHBondContact O-CB 3.49Å; E120-R124 PolarHBondContact O-N 3.07Å
121	S	42.2	Very low	39.6	Very low	52 Å²	52	96 Å²	96	36%	0.364	47%	0.472	S	S	.	.	H	α-helix	trans	-69.1	-37.1	176.9	74.2	0	0	0	0	112.7	F117 L118 F125	F117-S121 VanDerWaalsContact O-CB 3.23Å; F117-S121 WeakPolarHBondContact O-CB 3.15Å; F117-S121 PolarHBondContact O-N 3.41Å; F117-S121 PolarHBondContact O-OG 2.8Å; L118-S121 WeakPolarHBondContact CA-OG 3.09Å; L118-S121 PolarHBondContact O-N 3.3Å; L118-S121 PolarHBondContact O-OG 3.43Å; S121-F125 WeakPolarHBondContact O-CB 2.99Å; S121-F125 PolarHBondContact O-N 3.09Å
122	E	36.1	Very low	39.7	Very low	96 Å²	96	97.8 Å²	97.8	45%	0.449	49%	0.485	S	S	.	.	H	α-helix	trans	-74.1	-39.5	179.5	-162.9	165.3	-154.3	0	0	110.8	L118 F119 F125 L126	L118-E122 VanDerWaalsContact O-CB 3.28Å; L118-E122 WeakPolarHBondContact O-CB 3.25Å; L118-E122 PolarHBondContact O-N 3.01Å; F119-E122 PolarHBondContact O-N 3.48Å; E122-F125 PolarHBondContact O-N 2.92Å; E122-L126 WeakPolarHBondContact O-CB 3.4Å; E122-L126 WeakPolarHBondContact O-CG 3.2Å; E122-L126 PolarHBondContact O-N 3.27Å
123	N	38.9	Very low	39	Very low	76 Å²	76	97.1 Å²	97.1	41%	0.406	48%	0.476	S	S	.	.	H	α-helix	trans	-64.5	-43.5	170.7	-85	-24.1	0	0	0	112.5	F119 F125 L126 D127	F119-N123 WeakPolarHBondContact O-CB 3.39Å; F119-N123 PolarHBondContact O-N 2.93Å; N123-F125 VanDerWaalsContact C-N 3.33Å; N123-F125 PolarHBondContact O-N 3.29Å; N123-L126 PolarHBondContact O-N 3.39Å; N123-D127 WeakPolarHBondContact O-CB 3.26Å; N123-D127 PolarHBondContact O-N 3.37Å
124	R	42.8	Very low	38.7	Very low	156 Å²	156	95.6 Å²	95.6	59%	0.589	47%	0.465	S	S	*	.	H	α-helix	trans	-59.6	-43.4	174.1	-88.7	-174	175.2	-177.3	-0.7	111.6	D19 E120 L126 D127 D128	D19-R124 IonicContact OD2-NH1 3.73Å; E120-R124 WeakPolarHBondContact O-CB 3.49Å; E120-R124 PolarHBondContact O-N 3.07Å; R124-L126 PolarHBondContact O-N 3.37Å; R124-D127 PolarHBondContact O-N 3.43Å; R124-D128 WeakPolarHBondContact O-CB 3.35Å; R124-D128 VanDerWaalsContact O-CG 3.3Å; R124-D128 PolarHBondContact O-N 3.42Å
125	F	38.7	Very low	39.1	Very low	125 Å²	125	94.3 Å²	94.3	55%	0.548	46%	0.459	S	S	.	.	H	α-helix	trans	-63.2	-41.4	177.2	179.5	-99.1	0	0	0	112.6	S121 E122 N123 D128 Q129	S121-F125 WeakPolarHBondContact O-CB 2.99Å; S121-F125 PolarHBondContact O-N 3.09Å; E122-F125 PolarHBondContact O-N 2.92Å; N123-F125 VanDerWaalsContact C-N 3.33Å; N123-F125 PolarHBondContact O-N 3.29Å; F125-D128 PolarHBondContact O-N 2.93Å; F125-Q129 HydrophobicContact CD1-CG 4.27Å; F125-Q129 HydrophobicContact CE1-CG 3.93Å; F125-Q129 HydrophobicContact CE2-CG 4.47Å; F125-Q129 HydrophobicContact CZ-CG 4.06Å; F125-Q129 VanDerWaalsContact CZ-NE2 3.28Å; F125-Q129 WeakPolarHBondContact O-CB 3.28Å; F125-Q129 VanDerWaalsContact O-CG 3.23Å; F125-Q129 WeakPolarHBondContact O-CG 3.45Å; F125-Q129 PolarHBondContact O-N 2.88Å
126	L	35.6	Very low	39	Very low	71 Å²	71	95.1 Å²	95.1	37%	0.372	46%	0.459	S	S	.	.	H	α-helix	trans	-65.7	-44.3	175.7	-75.4	167.1	0	0	0	111.7	E122 N123 R124 D128 Q129 I130	E122-L126 WeakPolarHBondContact O-CB 3.4Å; E122-L126 WeakPolarHBondContact O-CG 3.2Å; E122-L126 PolarHBondContact O-N 3.27Å; N123-L126 PolarHBondContact O-N 3.39Å; R124-L126 PolarHBondContact O-N 3.37Å; L126-D128 VanDerWaalsContact C-N 3.33Å; L126-D128 PolarHBondContact O-N 3.01Å; L126-Q129 PolarHBondContact O-N 3.25Å; L126-I130 WeakPolarHBondContact O-CB 3.38Å; L126-I130 WeakPolarHBondContact O-CD1 3.23Å; L126-I130 WeakPolarHBondContact O-CG1 3.43Å; L126-I130 PolarHBondContact O-N 3.09Å
127	D	41.9	Very low	38.8	Very low	95 Å²	95	95.8 Å²	95.8	51%	0.508	47%	0.468	S	S	.	.	H	α-helix	trans	-62.7	-39.5	176.4	-84.4	-17.1	0	0	0	112.1	N123 R124 I130 K131	N123-D127 WeakPolarHBondContact O-CB 3.26Å; N123-D127 PolarHBondContact O-N 3.37Å; R124-D127 PolarHBondContact O-N 3.43Å; D127-I130 PolarHBondContact O-N 2.98Å; D127-K131 WeakPolarHBondContact O-CB 3.34Å; D127-K131 WeakPolarHBondContact O-CG 3.34Å; D127-K131 PolarHBondContact O-N 3.36Å
128	D	43.9	Very low	38.9	Very low	77 Å²	77	97.5 Å²	97.5	41%	0.412	47%	0.471	S	S	.	.	H	α-helix	trans	-69.4	-38.9	176.7	-74.2	-18.6	0	0	0	112	R124 F125 L126 K131 T132	R124-D128 WeakPolarHBondContact O-CB 3.35Å; R124-D128 VanDerWaalsContact O-CG 3.3Å; R124-D128 PolarHBondContact O-N 3.42Å; F125-D128 PolarHBondContact O-N 2.93Å; L126-D128 VanDerWaalsContact C-N 3.33Å; L126-D128 PolarHBondContact O-N 3.01Å; D128-K131 PolarHBondContact O-N 3.4Å; D128-T132 VanDerWaalsContact O-CB 3.25Å; D128-T132 WeakPolarHBondContact O-CB 3.48Å; D128-T132 PolarHBondContact O-N 3.44Å; D128-T132 PolarHBondContact O-OG1 3.23Å
129	Q	37.6	Very low	39.2	Very low	69 Å²	69	98.5 Å²	98.5	32%	0.322	47%	0.473	S	S	.	.	H	α-helix	trans	-61.6	-45.5	171.2	-75.5	-93.9	-9	0	0	111.1	F125 L126 T132 Q133	F125-Q129 HydrophobicContact CD1-CG 4.27Å; F125-Q129 HydrophobicContact CE1-CG 3.93Å; F125-Q129 HydrophobicContact CE2-CG 4.47Å; F125-Q129 HydrophobicContact CZ-CG 4.06Å; F125-Q129 VanDerWaalsContact CZ-NE2 3.28Å; F125-Q129 WeakPolarHBondContact O-CB 3.28Å; F125-Q129 VanDerWaalsContact O-CG 3.23Å; F125-Q129 WeakPolarHBondContact O-CG 3.45Å; F125-Q129 PolarHBondContact O-N 2.88Å; L126-Q129 PolarHBondContact O-N 3.25Å; Q129-T132 PolarHBondContact O-N 3.3Å; Q129-Q133 WeakPolarHBondContact O-CB 3.34Å; Q129-Q133 PolarHBondContact O-N 3.42Å
130	I	33.4	Very low	39.1	Very low	96 Å²	96	96.8 Å²	96.8	49%	0.492	47%	0.468	S	S	.	.	H	α-helix	trans	-63.2	-46.1	177.8	-70	165	0	0	0	110.7	L126 D127 Q133 T134	L126-I130 WeakPolarHBondContact O-CB 3.38Å; L126-I130 WeakPolarHBondContact O-CD1 3.23Å; L126-I130 WeakPolarHBondContact O-CG1 3.43Å; L126-I130 PolarHBondContact O-N 3.09Å; D127-I130 PolarHBondContact O-N 2.98Å; I130-Q133 PolarHBondContact O-N 3.02Å; I130-T134 VanDerWaalsContact O-CB 3.27Å; I130-T134 WeakPolarHBondContact O-CB 3.3Å; I130-T134 PolarHBondContact O-N 2.81Å; I130-T134 PolarHBondContact O-OG1 3.26Å
131	K	41.8	Very low	38.6	Very low	134 Å²	134	100 Å²	100	58%	0.583	48%	0.48	S	S	*	.	H	α-helix	trans	-61.3	-46.4	175.6	-81.6	177.4	-178	168.1	0	111.5	D127 D128 Q133 T134 N135	D127-K131 WeakPolarHBondContact O-CB 3.34Å; D127-K131 WeakPolarHBondContact O-CG 3.34Å; D127-K131 PolarHBondContact O-N 3.36Å; D128-K131 PolarHBondContact O-N 3.4Å; K131-Q133 PolarHBondContact O-N 3.41Å; K131-T134 PolarHBondContact O-N 3.08Å; K131-N135 WeakPolarHBondContact O-CB 3.42Å; K131-N135 PolarHBondContact O-N 3.5Å
132	T	41.3	Very low	38.5	Very low	95 Å²	95	102.6 Å²	102.6	58%	0.583	49%	0.489	S	S	*	.	H	α-helix	trans	-62.4	-43.1	179.3	-56.1	0	0	0	0	111.2	D128 Q129 N135 Y136	D128-T132 VanDerWaalsContact O-CB 3.25Å; D128-T132 WeakPolarHBondContact O-CB 3.48Å; D128-T132 PolarHBondContact O-N 3.44Å; D128-T132 PolarHBondContact O-OG1 3.23Å; Q129-T132 PolarHBondContact O-N 3.3Å; T132-N135 PolarHBondContact O-N 3.44Å; T132-Y136 WeakPolarHBondContact O-CB 3.16Å; T132-Y136 PolarHBondContact O-N 2.97Å
133	Q	31.3	Very low	38.5	Very low	53 Å²	53	102.1 Å²	102.1	25%	0.248	49%	0.489	C	S	.	.	H	α-helix	trans	-70	-35.9	175.3	-93.3	168.7	-87.9	0	0	113.6	Q129 I130 K131 N135 Y136 N137	Q129-Q133 WeakPolarHBondContact O-CB 3.34Å; Q129-Q133 PolarHBondContact O-N 3.42Å; I130-Q133 PolarHBondContact O-N 3.02Å; K131-Q133 PolarHBondContact O-N 3.41Å; Q133-N135 VanDerWaalsContact C-N 3.32Å; Q133-Y136 PolarHBondContact O-N 2.69Å; Q133-N137 VanDerWaalsContact O-CB 3.3Å; Q133-N137 WeakPolarHBondContact O-CB 2.96Å; Q133-N137 PolarHBondContact O-N 3.47Å
134	T	35.8	Very low	38.4	Very low	81 Å²	81	101.9 Å²	101.9	50%	0.497	49%	0.49	S	S	.	.	H	α-helix	trans	-65.6	-40.4	175.8	-56.5	0	0	0	0	110.4	I130 K131 R138	I130-T134 VanDerWaalsContact O-CB 3.27Å; I130-T134 WeakPolarHBondContact O-CB 3.3Å; I130-T134 PolarHBondContact O-N 2.81Å; I130-T134 PolarHBondContact O-OG1 3.26Å; K131-T134 PolarHBondContact O-N 3.08Å; T134-R138 VanDerWaalsContact O-CB 3.28Å; T134-R138 WeakPolarHBondContact O-CB 3.4Å; T134-R138 PolarHBondContact O-N 3.31Å
135	N	42.6	Very low	38.2	Very low	93 Å²	93	97.2 Å²	97.2	50%	0.497	48%	0.481	S	S	.	.	H	α-helix	trans	-64.7	-46.1	172.3	-73.7	-17.9	0	0	0	111.5	K131 T132 Q133 N137 R138 E139	K131-N135 WeakPolarHBondContact O-CB 3.42Å; K131-N135 PolarHBondContact O-N 3.5Å; T132-N135 PolarHBondContact O-N 3.44Å; Q133-N135 VanDerWaalsContact C-N 3.32Å; N135-N137 PolarHBondContact O-N 3.36Å; N135-R138 WeakPolarHBondContact O-CB 3.42Å; N135-R138 PolarHBondContact O-N 3.35Å; N135-R138 VanDerWaalsContact O-N 3.16Å; N135-E139 PolarHBondContact O-N 2.98Å
136	Y	35.3	Very low	38.4	Very low	118 Å²	118	96.1 Å²	96.1	46%	0.463	48%	0.478	S	S	.	.	H	α-helix	trans	-58.4	-45.3	175.6	-174.5	-107	0	0	0	112.3	T132 Q133 R138 E139 L140	T132-Y136 WeakPolarHBondContact O-CB 3.16Å; T132-Y136 PolarHBondContact O-N 2.97Å; Q133-Y136 PolarHBondContact O-N 2.69Å; Y136-R138 VanDerWaalsContact C-N 3.34Å; Y136-R138 PolarHBondContact O-N 2.74Å; Y136-E139 PolarHBondContact O-N 2.9Å; Y136-L140 HydrophobicContact CD1-CD1 3.65Å; Y136-L140 HydrophobicContact CE1-CD1 3.14Å; Y136-L140 HydrophobicContact CE2-CD1 4.24Å; Y136-L140 HydrophobicContact CG-CD1 4.39Å; Y136-L140 VanDerWaalsContact CZ-CD1 3.46Å; Y136-L140 WeakPolarHBondContact O-CB 3.13Å; Y136-L140 PolarHBondContact O-N 2.62Å
137	N	37.1	Very low	38.5	Very low	95 Å²	95	95.2 Å²	95.2	51%	0.508	48%	0.478	S	S	.	.	H	α-helix	trans	-67.4	-33.8	177.1	-80.4	-20.8	0	0	0	112.4	Q133 N135 K141	Q133-N137 VanDerWaalsContact O-CB 3.3Å; Q133-N137 WeakPolarHBondContact O-CB 2.96Å; Q133-N137 PolarHBondContact O-N 3.47Å; N135-N137 PolarHBondContact O-N 3.36Å; N137-K141 WeakPolarHBondContact O-CB 3.42Å; N137-K141 PolarHBondContact O-N 3.22Å
138	R	39.8	Very low	38.4	Very low	173 Å²	173	93.5 Å²	93.5	65%	0.653	47%	0.468	S	S	*	.	H	α-helix	trans	-68.1	-44.7	174.1	-173.6	178.5	-179.7	170.6	-0.7	111.1	T134 N135 Y136 K141 L142	T134-R138 VanDerWaalsContact O-CB 3.28Å; T134-R138 WeakPolarHBondContact O-CB 3.4Å; T134-R138 PolarHBondContact O-N 3.31Å; N135-R138 WeakPolarHBondContact O-CB 3.42Å; N135-R138 PolarHBondContact O-N 3.35Å; N135-R138 VanDerWaalsContact O-N 3.16Å; Y136-R138 VanDerWaalsContact C-N 3.34Å; Y136-R138 PolarHBondContact O-N 2.74Å; R138-K141 PolarHBondContact O-N 3.48Å; R138-L142 HydrophobicContact CG-CD1 4.37Å; R138-L142 WeakPolarHBondContact O-CB 3.4Å; R138-L142 WeakPolarHBondContact O-CG 3.11Å; R138-L142 PolarHBondContact O-N 2.89Å
139	E	41.1	Very low	38.5	Very low	117 Å²	117	97 Å²	97	55%	0.547	48%	0.479	S	S	.	.	H	α-helix	trans	-62.9	-44.8	173.9	-75.8	-177	176.6	0	0	111.5	N135 Y136 K141 L142 I143	N135-E139 PolarHBondContact O-N 2.98Å; Y136-E139 PolarHBondContact O-N 2.9Å; E139-K141 PolarHBondContact O-N 2.81Å; E139-L142 WeakPolarHBondContact O-CB 3.25Å; E139-L142 PolarHBondContact O-N 2.77Å; E139-L142 VanDerWaalsContact O-N 3.14Å; E139-I143 WeakPolarHBondContact O-CB 3.43Å; E139-I143 WeakPolarHBondContact O-CG1 3.14Å; E139-I143 PolarHBondContact O-N 2.85Å
140	L	36.6	Very low	38.9	Very low	63 Å²	63	99.2 Å²	99.2	33%	0.33	49%	0.488	S	S	.	.	H	α-helix	trans	-58.8	-45.5	173.6	-110.4	146	0	0	0	111.8	Y136 L142 I143 V144	Y136-L140 HydrophobicContact CD1-CD1 3.65Å; Y136-L140 HydrophobicContact CE1-CD1 3.14Å; Y136-L140 HydrophobicContact CE2-CD1 4.24Å; Y136-L140 HydrophobicContact CG-CD1 4.39Å; Y136-L140 VanDerWaalsContact CZ-CD1 3.46Å; Y136-L140 WeakPolarHBondContact O-CB 3.13Å; Y136-L140 PolarHBondContact O-N 2.62Å; L140-L142 VanDerWaalsContact C-N 3.32Å; L140-L142 PolarHBondContact O-N 3.44Å; L140-I143 PolarHBondContact O-N 2.94Å; L140-V144 HydrophobicContact CD2-CG2 4.36Å; L140-V144 VanDerWaalsContact O-CB 3.28Å; L140-V144 WeakPolarHBondContact O-CB 3.3Å; L140-V144 WeakPolarHBondContact O-CG2 3.35Å; L140-V144 PolarHBondContact O-N 2.99Å
141	K	36.2	Very low	39.2	Very low	165 Å²	165	97.8 Å²	97.8	72%	0.717	48%	0.481	S	S	*	.	H	α-helix	trans	-60.5	-40.4	174.2	-92.3	-177.3	175.6	173.7	0	112.2	N137 R138 E139 S145	N137-K141 WeakPolarHBondContact O-CB 3.42Å; N137-K141 PolarHBondContact O-N 3.22Å; R138-K141 PolarHBondContact O-N 3.48Å; E139-K141 PolarHBondContact O-N 2.81Å; K141-S145 WeakPolarHBondContact O-CB 3.42Å; K141-S145 PolarHBondContact O-N 3.21Å
142	L	40.2	Very low	39.3	Very low	106 Å²	106	97.5 Å²	97.5	56%	0.555	48%	0.48	S	S	*	.	H	α-helix	trans	-65.5	-47.7	176.5	-76.5	166.6	0	0	0	111.1	R138 E139 L140 V144 S145 E146	R138-L142 HydrophobicContact CG-CD1 4.37Å; R138-L142 WeakPolarHBondContact O-CB 3.4Å; R138-L142 WeakPolarHBondContact O-CG 3.11Å; R138-L142 PolarHBondContact O-N 2.89Å; E139-L142 WeakPolarHBondContact O-CB 3.25Å; E139-L142 PolarHBondContact O-N 2.77Å; E139-L142 VanDerWaalsContact O-N 3.14Å; L140-L142 VanDerWaalsContact C-N 3.32Å; L140-L142 PolarHBondContact O-N 3.44Å; L142-V144 PolarHBondContact O-N 2.78Å; L142-S145 PolarHBondContact O-N 3.2Å; L142-E146 VanDerWaalsContact O-CB 3.32Å; L142-E146 WeakPolarHBondContact O-CB 3.44Å; L142-E146 PolarHBondContact O-N 3.3Å
143	I	36.9	Very low	39.8	Very low	86 Å²	86	99.2 Å²	99.2	44%	0.441	48%	0.479	S	S	.	.	H	α-helix	trans	-62.1	-45	178.5	-68.5	164.3	0	0	0	110.8	E139 L140 E146 S147	E139-I143 WeakPolarHBondContact O-CB 3.43Å; E139-I143 WeakPolarHBondContact O-CG1 3.14Å; E139-I143 PolarHBondContact O-N 2.85Å; L140-I143 PolarHBondContact O-N 2.94Å; I143-E146 PolarHBondContact O-N 3.45Å; I143-S147 WeakPolarHBondContact O-CB 3.33Å; I143-S147 PolarHBondContact O-N 2.86Å; I143-S147 PolarHBondContact O-OG 2.78Å
144	V	35.4	Very low	40.5	Very low	72 Å²	72	101.3 Å²	101.3	44%	0.436	49%	0.49	S	S	.	.	H	α-helix	trans	-64.2	-46.1	176.8	170.3	0	0	0	0	110.1	L140 L142 E146 S147 I148	L140-V144 HydrophobicContact CD2-CG2 4.36Å; L140-V144 VanDerWaalsContact O-CB 3.28Å; L140-V144 WeakPolarHBondContact O-CB 3.3Å; L140-V144 WeakPolarHBondContact O-CG2 3.35Å; L140-V144 PolarHBondContact O-N 2.99Å; L142-V144 PolarHBondContact O-N 2.78Å; V144-E146 PolarHBondContact O-N 2.96Å; V144-S147 PolarHBondContact O-N 3.32Å; V144-I148 HydrophobicContact CG1-CD1 3.7Å; V144-I148 HydrophobicContact CG1-CG1 4.4Å; V144-I148 WeakPolarHBondContact O-CB 3.49Å; V144-I148 WeakPolarHBondContact O-CD1 3.04Å; V144-I148 WeakPolarHBondContact O-CG1 3.46Å; V144-I148 PolarHBondContact O-N 3.42Å
145	S	39.8	Very low	40.7	Very low	57 Å²	57	100.6 Å²	100.6	40%	0.399	48%	0.481	S	S	.	.	H	α-helix	trans	-61.4	-41.8	177.1	-175.8	0	0	0	0	112.4	K141 L142 I148 K149	K141-S145 WeakPolarHBondContact O-CB 3.42Å; K141-S145 PolarHBondContact O-N 3.21Å; L142-S145 PolarHBondContact O-N 3.2Å; S145-I148 PolarHBondContact O-N 3.23Å; S145-K149 WeakPolarHBondContact O-CG 3.33Å; S145-K149 PolarHBondContact O-N 2.93Å
146	E	42.1	Very low	41	Very low	103 Å²	103	103.8 Å²	103.8	48%	0.481	49%	0.491	S	S	.	.	H	α-helix	trans	-71.2	-39.3	178.3	-155.5	-170.8	146.2	0	0	111.8	L142 I143 V144 K149 K150	L142-E146 VanDerWaalsContact O-CB 3.32Å; L142-E146 WeakPolarHBondContact O-CB 3.44Å; L142-E146 PolarHBondContact O-N 3.3Å; I143-E146 PolarHBondContact O-N 3.45Å; V144-E146 PolarHBondContact O-N 2.96Å; E146-K149 PolarHBondContact O-N 3.3Å; E146-K150 PolarHBondContact O-N 2.9Å; E146-K150 WeakPolarHBondContact OE1-CE 3.39Å; E146-K150 IonicContact OE1-NZ 2.64Å; E146-K150 PolarHBondContact OE1-NZ 2.93Å
147	S	39.2	Very low	41.7	Very low	52 Å²	52	102.3 Å²	102.3	36%	0.364	49%	0.488	S	S	.	.	H	α-helix	trans	-63.1	-41.5	173.3	-59.8	0	0	0	0	111.1	I143 V144 K150 L151	I143-S147 WeakPolarHBondContact O-CB 3.33Å; I143-S147 PolarHBondContact O-N 2.86Å; I143-S147 PolarHBondContact O-OG 2.78Å; V144-S147 PolarHBondContact O-N 3.32Å; S147-K150 PolarHBondContact O-N 3.16Å; S147-L151 WeakPolarHBondContact O-CB 3.41Å; S147-L151 PolarHBondContact O-N 2.81Å
148	I	39.6	Very low	41.9	Very low	59 Å²	59	100.3 Å²	100.3	30%	0.303	48%	0.484	S	S	.	.	H	α-helix	trans	-63	-43.1	173.7	-71.7	166.1	0	0	0	111	V144 S145 L151 K152	V144-I148 HydrophobicContact CG1-CD1 3.7Å; V144-I148 HydrophobicContact CG1-CG1 4.4Å; V144-I148 WeakPolarHBondContact O-CB 3.49Å; V144-I148 WeakPolarHBondContact O-CD1 3.04Å; V144-I148 WeakPolarHBondContact O-CG1 3.46Å; V144-I148 PolarHBondContact O-N 3.42Å; S145-I148 PolarHBondContact O-N 3.23Å; I148-L151 PolarHBondContact O-N 3.36Å; I148-K152 HydrophobicContact CG2-CD 4.34Å; I148-K152 WeakPolarHBondContact O-CB 3.39Å; I148-K152 WeakPolarHBondContact O-CG 3.44Å; I148-K152 PolarHBondContact O-N 3.48Å
149	K	45.1	Very low	41.5	Very low	149 Å²	149	94.3 Å²	94.3	65%	0.648	47%	0.472	S	S	*	.	H	α-helix	trans	-62.3	-43.4	176	-78.9	180	-179.3	178.8	0	111.5	S145 E146 K152 K153	S145-K149 WeakPolarHBondContact O-CG 3.33Å; S145-K149 PolarHBondContact O-N 2.93Å; E146-K149 PolarHBondContact O-N 3.3Å; K149-K152 PolarHBondContact O-N 3.32Å; K149-K153 WeakPolarHBondContact O-CB 3.28Å; K149-K153 PolarHBondContact O-N 2.86Å
150	K	45.8	Very low	41.6	Very low	116 Å²	116	92.6 Å²	92.6	50%	0.504	47%	0.473	S	S	.	.	H	α-helix	trans	-65.7	-43.9	176.4	-76	175.6	-174.6	158	0	111.8	E146 S147 K153 M154	E146-K150 PolarHBondContact O-N 2.9Å; E146-K150 WeakPolarHBondContact OE1-CE 3.39Å; E146-K150 IonicContact OE1-NZ 2.64Å; E146-K150 PolarHBondContact OE1-NZ 2.93Å; S147-K150 PolarHBondContact O-N 3.16Å; K150-K153 PolarHBondContact O-N 2.98Å; K150-M154 WeakPolarHBondContact O-CG 3.4Å; K150-M154 PolarHBondContact O-N 3.37Å
151	L	39.5	Very low	41.8	Very low	67 Å²	67	96 Å²	96	35%	0.351	49%	0.491	S	S	.	.	H	α-helix	trans	-58.9	-47.3	173.8	-101.8	148.1	0	0	0	112	S147 I148 K153 M154 Q155	S147-L151 WeakPolarHBondContact O-CB 3.41Å; S147-L151 PolarHBondContact O-N 2.81Å; I148-L151 PolarHBondContact O-N 3.36Å; L151-K153 VanDerWaalsContact C-N 3.3Å; L151-K153 PolarHBondContact O-N 3.47Å; L151-M154 HydrophobicContact CG-CE 4.35Å; L151-M154 PolarHBondContact O-N 3.41Å; L151-Q155 WeakPolarHBondContact O-CB 3.49Å; L151-Q155 WeakPolarHBondContact O-CG 3.22Å; L151-Q155 PolarHBondContact O-N 3.03Å
152	K	44.4	Very low	41.7	Very low	128 Å²	128	93.5 Å²	93.5	56%	0.557	48%	0.478	S	S	*	.	H	α-helix	trans	-63	-35.9	175.7	-77.6	-175.6	176.1	-177	0	112.7	I148 K149 K156	I148-K152 HydrophobicContact CG2-CD 4.34Å; I148-K152 WeakPolarHBondContact O-CB 3.39Å; I148-K152 WeakPolarHBondContact O-CG 3.44Å; I148-K152 PolarHBondContact O-N 3.48Å; K149-K152 PolarHBondContact O-N 3.32Å; K152-K156 WeakPolarHBondContact O-CG 3.35Å; K152-K156 PolarHBondContact O-N 2.76Å
153	K	52.9	Low	41.2	Very low	130 Å²	130	95.2 Å²	95.2	57%	0.565	49%	0.493	S	S	*	.	H	α-helix	trans	-66.8	-48.3	175.3	-176.5	177.6	170.1	-179	0	110.7	K149 K150 L151 Q155 K156 E157	K149-K153 WeakPolarHBondContact O-CB 3.28Å; K149-K153 PolarHBondContact O-N 2.86Å; K150-K153 PolarHBondContact O-N 2.98Å; L151-K153 VanDerWaalsContact C-N 3.3Å; L151-K153 PolarHBondContact O-N 3.47Å; K153-Q155 VanDerWaalsContact C-N 3.33Å; K153-Q155 PolarHBondContact O-N 2.92Å; K153-K156 PolarHBondContact O-N 3Å; K153-E157 WeakPolarHBondContact CE-OE1 3.39Å; K153-E157 HydrophobicContact CG-CG 4.5Å; K153-E157 IonicContact NZ-OE1 3.82Å; K153-E157 WeakPolarHBondContact O-CB 3.45Å; K153-E157 WeakPolarHBondContact O-CG 3.25Å; K153-E157 PolarHBondContact O-N 2.98Å
154	M	45	Very low	40.9	Very low	97 Å²	97	94.1 Å²	94.1	48%	0.478	50%	0.503	S	S	.	.	H	α-helix	trans	-62.3	-39.2	175.9	-71.2	-174.9	-66.6	0	0	112	K150 L151 E157 A158	K150-M154 WeakPolarHBondContact O-CG 3.4Å; K150-M154 PolarHBondContact O-N 3.37Å; L151-M154 HydrophobicContact CG-CE 4.35Å; L151-M154 PolarHBondContact O-N 3.41Å; M154-E157 PolarHBondContact O-N 3.46Å; M154-A158 WeakPolarHBondContact O-CB 3.45Å; M154-A158 PolarHBondContact O-N 2.92Å
155	Q	39.4	Very low	40.7	Very low	66 Å²	66	96.2 Å²	96.2	31%	0.308	52%	0.52	S	S	.	.	H	α-helix	trans	-61.8	-43.7	173.2	-80	180	-32.5	0	0	111.9	L151 K153 A159	L151-Q155 WeakPolarHBondContact O-CB 3.49Å; L151-Q155 WeakPolarHBondContact O-CG 3.22Å; L151-Q155 PolarHBondContact O-N 3.03Å; K153-Q155 VanDerWaalsContact C-N 3.33Å; K153-Q155 PolarHBondContact O-N 2.92Å; Q155-A159 WeakPolarHBondContact O-CB 3.43Å; Q155-A159 PolarHBondContact O-N 3.25Å
156	K	50.4	Low	40.3	Very low	161 Å²	161	96.2 Å²	96.2	70%	0.7	52%	0.52	S	S	*	.	H	α-helix	trans	-66.1	-41.3	175.9	-79	-175.5	176.9	-172.1	0	112.4	K152 K153 S160	K152-K156 WeakPolarHBondContact O-CG 3.35Å; K152-K156 PolarHBondContact O-N 2.76Å; K153-K156 PolarHBondContact O-N 3Å; K156-S160 VanDerWaalsContact O-CB 3.26Å; K156-S160 WeakPolarHBondContact O-CB 3.24Å; K156-S160 PolarHBondContact O-N 2.81Å; K156-S160 PolarHBondContact O-OG 3.06Å
157	E	49.2	Very low	40.2	Very low	87 Å²	87	96.2 Å²	96.2	41%	0.407	52%	0.523	S	S	.	.	H	α-helix	trans	-68.5	-41	178.7	-74	173	175.7	0	0	111.5	K153 M154 S160 N161	K153-E157 WeakPolarHBondContact CE-OE1 3.39Å; K153-E157 HydrophobicContact CG-CG 4.5Å; K153-E157 IonicContact NZ-OE1 3.82Å; K153-E157 WeakPolarHBondContact O-CB 3.45Å; K153-E157 WeakPolarHBondContact O-CG 3.25Å; K153-E157 PolarHBondContact O-N 2.98Å; M154-E157 PolarHBondContact O-N 3.46Å; E157-S160 WeakPolarHBondContact CA-OG 3.43Å; E157-S160 PolarHBondContact O-N 2.92Å; E157-S160 PolarHBondContact O-OG 3.3Å; E157-N161 VanDerWaalsContact O-CB 3.27Å; E157-N161 WeakPolarHBondContact O-CB 3.43Å; E157-N161 PolarHBondContact O-N 3.23Å; E157-N161 PolarHBondContact O-ND2 3.15Å; E157-N161 VanDerWaalsContact O-ND2 3.1Å
158	A	41	Very low	40	Very low	52 Å²	52	101.8 Å²	101.8	43%	0.43	54%	0.541	S	S	.	.	H	α-helix	trans	-60.6	-57.1	171	0	0	0	0	0	110	M154 S160 N161 Y162	M154-A158 WeakPolarHBondContact O-CB 3.45Å; M154-A158 PolarHBondContact O-N 2.92Å; A158-S160 VanDerWaalsContact C-N 3.27Å; A158-S160 PolarHBondContact O-N 3.36Å; A158-N161 CarbonylContact O-C 3.57Å; A158-N161 PolarHBondContact O-N 3.31Å; A158-Y162 VanDerWaalsContact O-CB 3.26Å; A158-Y162 WeakPolarHBondContact O-CB 3.19Å; A158-Y162 PolarHBondContact O-N 3.43Å
159	A	32.2	Very low	39.8	Very low	48 Å²	48	105.3 Å²	105.3	40%	0.397	56%	0.556	S	S	.	*	H	α-helix	trans	-56.7	-36.9	178.5	0	0	0	0	0	113.3	Q155	Q155-A159 WeakPolarHBondContact O-CB 3.43Å; Q155-A159 PolarHBondContact O-N 3.25Å
160	S	41.8	Very low	39.5	Very low	80 Å²	80	101.3 Å²	101.3	56%	0.559	54%	0.542	S	S	*	.	H	α-helix	trans	-73.1	-28.3	176.9	64.7	0	0	0	0	113.9	K156 E157 A158	K156-S160 VanDerWaalsContact O-CB 3.26Å; K156-S160 WeakPolarHBondContact O-CB 3.24Å; K156-S160 PolarHBondContact O-N 2.81Å; K156-S160 PolarHBondContact O-OG 3.06Å; E157-S160 WeakPolarHBondContact CA-OG 3.43Å; E157-S160 PolarHBondContact O-N 2.92Å; E157-S160 PolarHBondContact O-OG 3.3Å; A158-S160 VanDerWaalsContact C-N 3.27Å; A158-S160 PolarHBondContact O-N 3.36Å
161	N	41.1	Very low	39	Very low	135 Å²	135	100.3 Å²	100.3	72%	0.722	54%	0.539	S	S	*	.	H	α-helix	trans	-92.8	-9.3	179.5	-70.4	-28.5	0	0	0	113	E157 A158	E157-N161 VanDerWaalsContact O-CB 3.27Å; E157-N161 WeakPolarHBondContact O-CB 3.43Å; E157-N161 PolarHBondContact O-N 3.23Å; E157-N161 PolarHBondContact O-ND2 3.15Å; E157-N161 VanDerWaalsContact O-ND2 3.1Å; A158-N161 CarbonylContact O-C 3.57Å; A158-N161 PolarHBondContact O-N 3.31Å
162	Y	34.5	Very low	39	Very low	113 Å²	113	101.9 Å²	101.9	44%	0.443	55%	0.548	S	S	.	.			trans	-114.7	29.2	-171.7	-116.7	-93.2	0	0	0	114.6	A158 G164 C166	A158-Y162 VanDerWaalsContact O-CB 3.26Å; A158-Y162 WeakPolarHBondContact O-CB 3.19Å; A158-Y162 PolarHBondContact O-N 3.43Å; Y162-G164 PolarHBondContact O-N 3.47Å; Y162-C166 HydrophobicContact CD1-CB 4.2Å; Y162-C166 HydrophobicContact CE1-CB 3.62Å
163	V	30.4	Very low	38.7	Very low	142 Å²	142	102.8 Å²	102.8	86%	0.861	55%	0.552	S	S	*	*	S	Bend	trans	-74	79.7	164.5	-173.7	0	0	0	0	108.6
164	G	30.2	Very low	37.9	Very low	63 Å²	63	101.7 Å²	101.7	65%	0.649	54%	0.544	S	S	*	.	S	Bend	trans	136	64.8	157	0	0	0	0	0	118.1	Y162	Y162-G164 PolarHBondContact O-N 3.47Å
165	S	30.7	Very low	37.5	Very low	115 Å²	115	100.6 Å²	100.6	80%	0.804	54%	0.54	S	S	*	.	S	Bend	trans	173	-3.4	144.3	39.7	0	0	0	0	118.4
166	C	32.4	Very low	37.5	Very low	57 Å²	57	101.8 Å²	101.8	39%	0.385	55%	0.548	S	S	.	.	S	Bend	trans	-112.4	141.3	175.8	-77.3	0	0	0	0	113.6	Y162	Y162-C166 HydrophobicContact CD1-CB 4.2Å; Y162-C166 HydrophobicContact CE1-CB 3.62Å
167	D	39.4	Very low	37	Very low	103 Å²	103	97 Å²	97	55%	0.551	53%	0.53	S	S	*	.			trans	-53.3	122.3	-170.7	-148.3	-24	0	0	0	113.3	Q169 L170	D167-Q169 PolarHBondContact O-N 2.94Å; D167-L170 WeakPolarHBondContact O-CB 3.23Å; D167-L170 PolarHBondContact O-N 2.71Å
168	F	34.2	Very low	36.4	Very low	169 Å²	169	93.8 Å²	93.8	74%	0.741	52%	0.517	S	S	*	.	H	α-helix	trans	-55.5	-21.3	176.3	-84.3	-87	0	0	0	112.7	L170 D172	F168-L170 VanDerWaalsContact C-N 3.29Å; F168-L170 PolarHBondContact O-N 3.04Å; F168-D172 PolarHBondContact O-N 2.96Å
169	Q	37.1	Very low	36.1	Very low	133 Å²	133	95.1 Å²	95.1	62%	0.621	52%	0.52	S	S	*	.	H	α-helix	trans	-66.4	-29.1	173.2	-68.3	-169.1	-7.7	0	0	113.7	D167 K173	D167-Q169 PolarHBondContact O-N 2.94Å; Q169-K173 WeakPolarHBondContact O-CB 3.44Å; Q169-K173 WeakPolarHBondContact O-CG 3.43Å; Q169-K173 PolarHBondContact O-N 2.86Å
170	L	38.8	Very low	36.4	Very low	66 Å²	66	97.7 Å²	97.7	35%	0.346	53%	0.527	S	S	.	.	H	α-helix	trans	-77.4	-36.7	-179	-128.4	145	0	0	0	110.7	D167 F168 W174 F232	D167-L170 WeakPolarHBondContact O-CB 3.23Å; D167-L170 PolarHBondContact O-N 2.71Å; F168-L170 VanDerWaalsContact C-N 3.29Å; F168-L170 PolarHBondContact O-N 3.04Å; L170-W174 WeakPolarHBondContact O-CB 3.49Å; L170-W174 PolarHBondContact O-N 3.15Å; L170-F232 HydrophobicContact CD2-CZ 4.15Å
171	E	34.9	Very low	36.2	Very low	94 Å²	94	96.8 Å²	96.8	44%	0.439	52%	0.518	S	S	.	.	H	α-helix	trans	-64.2	-42.2	172.3	-166.3	175.4	-162.5	0	0	111.5	W174 L175	E171-W174 PolarHBondContact O-N 3.05Å; E171-L175 HydrophobicContact CG-CD1 4.31Å; E171-L175 WeakPolarHBondContact O-CB 3.2Å; E171-L175 WeakPolarHBondContact O-CG 3.4Å; E171-L175 PolarHBondContact O-N 2.99Å
172	D	38.9	Very low	35.9	Very low	101 Å²	101	95.8 Å²	95.8	54%	0.54	50%	0.504	S	S	.	.	H	α-helix	trans	-69.9	-41.4	179	-147.8	33.1	0	0	0	112.1	F168 W174 L175 N176	F168-D172 PolarHBondContact O-N 2.96Å; D172-W174 PolarHBondContact O-N 3.3Å; D172-L175 PolarHBondContact O-N 3.47Å; D172-N176 PolarHBondContact O-N 3.01Å; D172-N176 PolarHBondContact O-ND2 3.21Å
173	K	39.2	Very low	36.3	Very low	147 Å²	147	93.1 Å²	93.1	64%	0.639	50%	0.502	S	S	*	.	H	α-helix	trans	-62.5	-41.6	171.8	-79.2	-177.7	176.7	-176.1	0	112.1	Q169 N176 L177	Q169-K173 WeakPolarHBondContact O-CB 3.44Å; Q169-K173 WeakPolarHBondContact O-CG 3.43Å; Q169-K173 PolarHBondContact O-N 2.86Å; K173-N176 PolarHBondContact O-N 3.29Å; K173-L177 WeakPolarHBondContact O-CB 3.26Å; K173-L177 PolarHBondContact O-N 3.46Å
174	W	35.9	Very low	36.7	Very low	107 Å²	107	88 Å²	88	41%	0.405	47%	0.474	S	S	.	.	H	α-helix	trans	-66.1	-37.9	175.7	-116.6	74.8	0	0	0	113	L170 E171 D172 L177 S178 Y248	L170-W174 WeakPolarHBondContact O-CB 3.49Å; L170-W174 PolarHBondContact O-N 3.15Å; E171-W174 PolarHBondContact O-N 3.05Å; D172-W174 PolarHBondContact O-N 3.3Å; W174-L177 PolarHBondContact O-N 3.32Å; W174-S178 WeakPolarHBondContact O-CB 3.48Å; W174-S178 PolarHBondContact O-N 2.92Å; W174-Y248 HydrophobicContact CH2-CD2 4.24Å; W174-Y248 HydrophobicContact CZ2-CD2 4.26Å
175	L	35.5	Very low	37	Very low	73 Å²	73	87.9 Å²	87.9	38%	0.382	47%	0.467	S	S	.	.	H	α-helix	trans	-61.4	-46.8	175.6	-89.1	158.5	0	0	0	110.9	E171 D172 S178 V179	E171-L175 HydrophobicContact CG-CD1 4.31Å; E171-L175 WeakPolarHBondContact O-CB 3.2Å; E171-L175 WeakPolarHBondContact O-CG 3.4Å; E171-L175 PolarHBondContact O-N 2.99Å; D172-L175 PolarHBondContact O-N 3.47Å; L175-S178 PolarHBondContact O-N 3.09Å; L175-S178 PolarHBondContact O-OG 2.9Å; L175-V179 WeakPolarHBondContact O-CG2 3.22Å; L175-V179 PolarHBondContact O-N 3.12Å
176	N	40.8	Very low	37.3	Very low	92 Å²	92	88.9 Å²	88.9	49%	0.492	45%	0.453	S	S	.	.	H	α-helix	trans	-63.6	-45.5	174.5	-70.1	-24.1	0	0	0	111.6	D172 K173 S178 V179 D180	D172-N176 PolarHBondContact O-N 3.01Å; D172-N176 PolarHBondContact O-ND2 3.21Å; K173-N176 PolarHBondContact O-N 3.29Å; N176-S178 PolarHBondContact O-N 3.06Å; N176-V179 WeakPolarHBondContact O-CA 3.48Å; N176-V179 WeakPolarHBondContact O-CB 3.44Å; N176-V179 PolarHBondContact O-N 3.12Å; N176-D180 PolarHBondContact O-N 2.65Å
177	L	39.6	Very low	37.5	Very low	59 Å²	59	91.3 Å²	91.3	31%	0.309	46%	0.459	S	S	.	.	H	α-helix	trans	-55.7	-38.6	176.2	-144.1	90.8	0	0	0	112.4	K173 W174 V179 V181	K173-L177 WeakPolarHBondContact O-CB 3.26Å; K173-L177 PolarHBondContact O-N 3.46Å; W174-L177 PolarHBondContact O-N 3.32Å; L177-V179 VanDerWaalsContact C-N 3.27Å; L177-V179 PolarHBondContact O-N 3.34Å; L177-V181 WeakPolarHBondContact O-CB 3.36Å; L177-V181 VanDerWaalsContact O-CG2 3.28Å; L177-V181 WeakPolarHBondContact O-CG2 3.41Å; L177-V181 PolarHBondContact O-N 2.97Å
178	S	35.8	Very low	37.2	Very low	20 Å²	20	87.6 Å²	87.6	14%	0.14	44%	0.443	C	S	.	.	H	α-helix	trans	-70.7	-23	178.9	87.1	0	0	0	0	113.4	W174 L175 N176 R182	W174-S178 WeakPolarHBondContact O-CB 3.48Å; W174-S178 PolarHBondContact O-N 2.92Å; L175-S178 PolarHBondContact O-N 3.09Å; L175-S178 PolarHBondContact O-OG 2.9Å; N176-S178 PolarHBondContact O-N 3.06Å; S178-R182 WeakPolarHBondContact O-CB 3.27Å; S178-R182 VanDerWaalsContact O-CG 3.24Å; S178-R182 WeakPolarHBondContact O-CG 3.49Å; S178-R182 PolarHBondContact O-N 3.34Å; S178-R182 PolarHBondContact O-NE 2.81Å; S178-R182 PolarHBondContact OG-NH2 3.45Å
179	V	35.3	Very low	37.1	Very low	80 Å²	80	82.4 Å²	82.4	49%	0.485	43%	0.431	S	S	.	.	H	α-helix	trans	-82.6	-43.2	176.9	172.7	0	0	0	0	109.6	L175 N176 L177 R182 S183	L175-V179 WeakPolarHBondContact O-CG2 3.22Å; L175-V179 PolarHBondContact O-N 3.12Å; N176-V179 WeakPolarHBondContact O-CA 3.48Å; N176-V179 WeakPolarHBondContact O-CB 3.44Å; N176-V179 PolarHBondContact O-N 3.12Å; L177-V179 VanDerWaalsContact C-N 3.27Å; L177-V179 PolarHBondContact O-N 3.34Å; V179-R182 CarbonylContact O-C 3.56Å; V179-R182 WeakPolarHBondContact O-CA 3.27Å; V179-R182 WeakPolarHBondContact O-CB 3.47Å; V179-R182 PolarHBondContact O-N 3.5Å; V179-R182 VanDerWaalsContact O-N 3.16Å; V179-S183 PolarHBondContact O-N 3.01Å
180	D	39.1	Very low	36.8	Very low	103 Å²	103	77.1 Å²	77.1	55%	0.551	41%	0.408	S	S	*	.	H	α-helix	trans	-68.3	-43	-179.4	-61.1	-30.3	0	0	0	111.8	N176 R182 S183 A184	N176-D180 PolarHBondContact O-N 2.65Å; D180-R182 VanDerWaalsContact C-N 3.27Å; D180-R182 PolarHBondContact O-N 3.19Å; D180-S183 WeakPolarHBondContact O-CB 3.34Å; D180-S183 PolarHBondContact O-N 3.03Å; D180-A184 PolarHBondContact O-N 3.3Å
181	V	36.8	Very low	36.4	Very low	61 Å²	61	75.9 Å²	75.9	37%	0.37	41%	0.407	S	S	.	.	H	α-helix	trans	-62.1	-35.4	171.6	172.9	0	0	0	0	111.6	L177 S183 A185 F225	L177-V181 WeakPolarHBondContact O-CB 3.36Å; L177-V181 VanDerWaalsContact O-CG2 3.28Å; L177-V181 WeakPolarHBondContact O-CG2 3.41Å; L177-V181 PolarHBondContact O-N 2.97Å; V181-S183 VanDerWaalsContact C-N 3.33Å; V181-A185 WeakPolarHBondContact O-CB 3.2Å; V181-A185 PolarHBondContact O-N 2.82Å; V181-F225 HydrophobicContact CG2-CD2 4.42Å; V181-F225 HydrophobicContact CG2-CE2 3.77Å; V181-F225 HydrophobicContact CG2-CZ 4.27Å
182	R	34.9	Very low	36	Very low	114 Å²	114	75.8 Å²	75.8	43%	0.43	41%	0.412	S	S	.	.	H	α-helix	trans	-67.4	-35.5	174.4	-91.3	-178.3	-101.6	-176.2	-6.5	111.8	S178 V179 D180 R186	S178-R182 WeakPolarHBondContact O-CB 3.27Å; S178-R182 VanDerWaalsContact O-CG 3.24Å; S178-R182 WeakPolarHBondContact O-CG 3.49Å; S178-R182 PolarHBondContact O-N 3.34Å; S178-R182 PolarHBondContact O-NE 2.81Å; S178-R182 PolarHBondContact OG-NH2 3.45Å; V179-R182 CarbonylContact O-C 3.56Å; V179-R182 WeakPolarHBondContact O-CA 3.27Å; V179-R182 WeakPolarHBondContact O-CB 3.47Å; V179-R182 PolarHBondContact O-N 3.5Å; V179-R182 VanDerWaalsContact O-N 3.16Å; D180-R182 VanDerWaalsContact C-N 3.27Å; D180-R182 PolarHBondContact O-N 3.19Å; R182-R186 WeakPolarHBondContact O-CB 3.47Å; R182-R186 PolarHBondContact O-N 3.06Å
183	S	41.9	Very low	35.5	Very low	57 Å²	57	74 Å²	74	40%	0.399	41%	0.412	S	S	.	.	H	α-helix	trans	-69	-53	176.7	-166.5	0	0	0	0	111	V179 D180 V181 A185 R186 Q187	V179-S183 PolarHBondContact O-N 3.01Å; D180-S183 WeakPolarHBondContact O-CB 3.34Å; D180-S183 PolarHBondContact O-N 3.03Å; V181-S183 VanDerWaalsContact C-N 3.33Å; S183-A185 PolarHBondContact O-N 2.7Å; S183-R186 WeakPolarHBondContact O-CB 3.39Å; S183-R186 PolarHBondContact O-N 3.42Å; S183-R186 VanDerWaalsContact O-N 3.12Å; S183-Q187 WeakPolarHBondContact O-CG 3.45Å; S183-Q187 PolarHBondContact O-N 3.34Å
184	A	40.5	Very low	34.9	Very low	33 Å²	33	74 Å²	74	27%	0.273	41%	0.412	S	S	.	.	H	α-helix	trans	-62.2	-42.5	-179.9	0	0	0	0	0	112.5	D180 R186 Q187 A188	D180-A184 PolarHBondContact O-N 3.3Å; A184-R186 VanDerWaalsContact C-N 3.29Å; A184-R186 PolarHBondContact O-N 3.21Å; A184-Q187 PolarHBondContact O-N 3.4Å; A184-A188 WeakPolarHBondContact O-CB 2.84Å; A184-A188 PolarHBondContact O-N 2.85Å
185	A	35.2	Very low	34.5	Very low	62 Å²	62	71.1 Å²	71.1	51%	0.512	41%	0.408	S	S	.	.	H	α-helix	trans	-66.2	-31.6	176.4	0	0	0	0	0	112.9	V181 S183 A189	V181-A185 WeakPolarHBondContact O-CB 3.2Å; V181-A185 PolarHBondContact O-N 2.82Å; S183-A185 PolarHBondContact O-N 2.7Å; A185-A189 WeakPolarHBondContact O-CB 3.25Å; A185-A189 PolarHBondContact O-N 3.44Å
186	R	36.8	Very low	34	Very low	135 Å²	135	73 Å²	73	51%	0.509	41%	0.41	S	S	.	.	H	α-helix	trans	-72.1	-50.8	175.2	-168.2	172.8	179.4	-150.7	-9.4	109.7	R182 S183 A184 A188 A189 V190 E453	R182-R186 WeakPolarHBondContact O-CB 3.47Å; R182-R186 PolarHBondContact O-N 3.06Å; S183-R186 WeakPolarHBondContact O-CB 3.39Å; S183-R186 PolarHBondContact O-N 3.42Å; S183-R186 VanDerWaalsContact O-N 3.12Å; A184-R186 VanDerWaalsContact C-N 3.29Å; A184-R186 PolarHBondContact O-N 3.21Å; R186-A188 VanDerWaalsContact C-N 3.3Å; R186-A188 PolarHBondContact O-N 3.16Å; R186-A189 WeakPolarHBondContact O-CA 3.15Å; R186-A189 WeakPolarHBondContact O-CB 3.1Å; R186-A189 PolarHBondContact O-N 3.38Å; R186-V190 WeakPolarHBondContact O-CG2 3.46Å; R186-V190 PolarHBondContact O-N 3.44Å; R186-E453 IonicContact CZ-OE1 3.61Å; R186-E453 IonicContact NH1-OE1 2.77Å; R186-E453 PolarHBondContact NH1-OE1 3.37Å; R186-E453 VanDerWaalsContact NH1-OE1 3.17Å
187	Q	36.6	Very low	33.3	Very low	109 Å²	109	73.1 Å²	73.1	51%	0.509	42%	0.416	S	S	.	.	H	α-helix	trans	-55.9	-41	175.8	-73.2	177.9	-13.5	0	0	112.7	S183 A184 A189 V190 A191	S183-Q187 WeakPolarHBondContact O-CG 3.45Å; S183-Q187 PolarHBondContact O-N 3.34Å; A184-Q187 PolarHBondContact O-N 3.4Å; Q187-A189 PolarHBondContact O-N 2.94Å; Q187-V190 WeakPolarHBondContact O-CB 3.44Å; Q187-V190 PolarHBondContact O-N 2.64Å; Q187-A191 PolarHBondContact O-N 2.8Å
188	A	33.7	Very low	32.7	Very low	25 Å²	25	75.8 Å²	75.8	21%	0.207	43%	0.43	C	S	.	.	H	α-helix	trans	-64.9	-37.6	173.6	0	0	0	0	0	112.8	A184 R186 V190 A191 V192 Y218	A184-A188 WeakPolarHBondContact O-CB 2.84Å; A184-A188 PolarHBondContact O-N 2.85Å; R186-A188 VanDerWaalsContact C-N 3.3Å; R186-A188 PolarHBondContact O-N 3.16Å; A188-V190 VanDerWaalsContact C-N 3.31Å; A188-A191 PolarHBondContact O-N 3.19Å; A188-V192 WeakPolarHBondContact O-CB 3.4Å; A188-V192 WeakPolarHBondContact O-CG2 3.35Å; A188-V192 PolarHBondContact O-N 3.17Å; A188-V192 VanDerWaalsContact O-N 3.07Å; A188-Y218 HydrophobicContact CB-CD2 4.04Å; A188-Y218 HydrophobicContact CB-CE2 3.79Å
189	A	32.9	Very low	32.5	Very low	60 Å²	60	80.1 Å²	80.1	50%	0.496	45%	0.45	S	S	.	.	H	α-helix	trans	-67.5	-32.9	173.9	0	0	0	0	0	112.3	A185 R186 Q187 A193	A185-A189 WeakPolarHBondContact O-CB 3.25Å; A185-A189 PolarHBondContact O-N 3.44Å; R186-A189 WeakPolarHBondContact O-CA 3.15Å; R186-A189 WeakPolarHBondContact O-CB 3.1Å; R186-A189 PolarHBondContact O-N 3.38Å; Q187-A189 PolarHBondContact O-N 2.94Å; A189-A193 WeakPolarHBondContact O-CB 3.33Å; A189-A193 PolarHBondContact O-N 2.96Å; A189-A193 VanDerWaalsContact O-N 3.14Å
190	V	30.3	Very low	32.1	Very low	22 Å²	22	87.3 Å²	87.3	13%	0.133	47%	0.468	C	S	.	.	H	α-helix	trans	-66.9	-48.9	172.7	-175.2	0	0	0	0	110.9	R186 Q187 A188 V192 A193 F194 E455	R186-V190 WeakPolarHBondContact O-CG2 3.46Å; R186-V190 PolarHBondContact O-N 3.44Å; Q187-V190 WeakPolarHBondContact O-CB 3.44Å; Q187-V190 PolarHBondContact O-N 2.64Å; A188-V190 VanDerWaalsContact C-N 3.31Å; V190-V192 VanDerWaalsContact C-N 3.25Å; V190-V192 PolarHBondContact O-N 3.18Å; V190-A193 WeakPolarHBondContact O-CA 3.44Å; V190-A193 WeakPolarHBondContact O-CB 3.07Å; V190-A193 PolarHBondContact O-N 3.39Å; V190-F194 HydrophobicContact CG1-CD2 3.81Å; V190-F194 HydrophobicContact CG1-CE2 3.78Å; V190-F194 WeakPolarHBondContact O-CD2 3.16Å; V190-F194 PolarHBondContact O-N 2.86Å; V190-F194 VanDerWaalsContact O-N 3.08Å; V190-E455 HydrophobicContact CB-CG 4.43Å; V190-E455 HydrophobicContact CG1-CG 3.61Å; V190-E455 HydrophobicContact CG2-CG 3.89Å; V190-E455 WeakPolarHBondContact CG2-OE1 3.34Å; V190-E455 WeakPolarHBondContact CG2-OE2 3.49Å
191	A	29.2	Very low	31.7	Very low	39 Å²	39	90.1 Å²	90.1	32%	0.322	48%	0.483	S	S	.	.	H	α-helix	trans	-59.2	-37	178.3	0	0	0	0	0	112.4	Q187 A188 A193 S195 A214	Q187-A191 PolarHBondContact O-N 2.8Å; A188-A191 PolarHBondContact O-N 3.19Å; A191-A193 VanDerWaalsContact C-N 3.31Å; A191-A193 PolarHBondContact O-N 3.33Å; A191-S195 PolarHBondContact O-OG 3.45Å; A191-A214 HydrophobicContact CB-CB 3.9Å
192	V	28.2	Very low	31.5	Very low	92 Å²	92	96 Å²	96	56%	0.558	51%	0.507	S	S	*	.	H	α-helix	trans	-73.1	-20.9	174.1	174.6	0	0	0	0	112.8	A188 V190 S195	A188-V192 WeakPolarHBondContact O-CB 3.4Å; A188-V192 WeakPolarHBondContact O-CG2 3.35Å; A188-V192 PolarHBondContact O-N 3.17Å; A188-V192 VanDerWaalsContact O-N 3.07Å; V190-V192 VanDerWaalsContact C-N 3.25Å; V190-V192 PolarHBondContact O-N 3.18Å; V192-S195 WeakPolarHBondContact CA-OG 3.35Å; V192-S195 PolarHBondContact O-OG 3.31Å; V192-S195 VanDerWaalsContact O-OG 3.13Å
193	A	27.4	Very low	31.4	Very low	63 Å²	63	94.7 Å²	94.7	52%	0.521	51%	0.505	S	S	.	.	H	α-helix	trans	-83.3	-28	175.7	0	0	0	0	0	112.9	A189 V190 A191 S195	A189-A193 WeakPolarHBondContact O-CB 3.33Å; A189-A193 PolarHBondContact O-N 2.96Å; A189-A193 VanDerWaalsContact O-N 3.14Å; V190-A193 WeakPolarHBondContact O-CA 3.44Å; V190-A193 WeakPolarHBondContact O-CB 3.07Å; V190-A193 PolarHBondContact O-N 3.39Å; A191-A193 VanDerWaalsContact C-N 3.31Å; A191-A193 PolarHBondContact O-N 3.33Å; A193-S195 VanDerWaalsContact C-N 3.32Å
194	F	27.1	Very low	31.1	Very low	147 Å²	147	98.8 Å²	98.8	65%	0.645	52%	0.523	S	S	*	.	S	Bend	trans	-79.2	-7.9	177.2	-90.2	-87.8	0	0	0	114.6	V190	V190-F194 HydrophobicContact CG1-CD2 3.81Å; V190-F194 HydrophobicContact CG1-CE2 3.78Å; V190-F194 WeakPolarHBondContact O-CD2 3.16Å; V190-F194 PolarHBondContact O-N 2.86Å; V190-F194 VanDerWaalsContact O-N 3.08Å
195	S	26	Very low	30.6	Very low	47 Å²	47	100.2 Å²	100.2	33%	0.329	53%	0.525	S	S	.	.	S	Bend	trans	-101.5	29.3	-173.5	39.1	0	0	0	0	114.1	A191 V192 A193	A191-S195 PolarHBondContact O-OG 3.45Å; V192-S195 WeakPolarHBondContact CA-OG 3.35Å; V192-S195 PolarHBondContact O-OG 3.31Å; V192-S195 VanDerWaalsContact O-OG 3.13Å; A193-S195 VanDerWaalsContact C-N 3.32Å
196	R	26.6	Very low	30.3	Very low	112 Å²	112	103.3 Å²	103.3	42%	0.423	53%	0.529	S	S	.	.			trans	-116.5	147	-175.1	-77	-171.5	-178.2	-147.4	5.6	115.3
197	P	25.6	Very low	30	Very low	96 Å²	96	99.6 Å²	99.6	62%	0.623	52%	0.519	S	S	*	.			trans	-87.6	124.7	-150.4	33.3	-31.6	0	0	0	112.7
198	I	26.7	Very low	29.6	Very low	115 Å²	115	97 Å²	97	59%	0.59	51%	0.512	S	S	*	.			trans	-102.7	106.5	162.1	-63.5	176.6	0	0	0	105.7	H203	I198-H203 PolarHBondContact O-CD2 3.29Å; I198-H203 PolarHBondContact O-CE1 3.5Å; I198-H203 PolarHBondContact O-NE2 2.92Å
199	I	31.5	Very low	29.3	Very low	110 Å²	110	98.9 Å²	98.9	56%	0.564	53%	0.529	S	S	*	.			trans	67.1	111.2	158	-49.7	167.8	0	0	0	116.5	N201 H203	I199-N201 PolarHBondContact O-N 3.5Å; I199-N201 VanDerWaalsContact O-N 3.09Å; I199-H203 PolarHBondContact O-CD2 2.87Å
200	R	27.1	Very low	29	Very low	232 Å²	232	101.8 Å²	101.8	88%	0.875	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	106.4	172.2	-78	172.5	166.6	168.9	-4.4	110.6
201	N	31.7	Very low	29	Very low	161 Å²	161	103.5 Å²	103.5	86%	0.861	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	178	-5.4	137	-88.6	-17.9	0	0	0	114.6	I199	I199-N201 PolarHBondContact O-N 3.5Å; I199-N201 VanDerWaalsContact O-N 3.09Å
202	E	32.7	Very low	29	Very low	184 Å²	184	104.9 Å²	104.9	86%	0.86	55%	0.547	S	S	*	.	S	Bend	trans	-132.7	17.8	-175.9	-67.4	179.4	161	0	0	114.1
203	H	32.2	Very low	29.1	Very low	87 Å²	87	102.5 Å²	102.5	40%	0.403	53%	0.534	S	S	.	.			trans	-107.5	8	-152.9	-94.7	-77.7	0	0	0	119.3	I198 I199	I198-H203 PolarHBondContact O-CD2 3.29Å; I198-H203 PolarHBondContact O-CE1 3.5Å; I198-H203 PolarHBondContact O-NE2 2.92Å; I199-H203 PolarHBondContact O-CD2 2.87Å
204	D	35.6	Very low	29.2	Very low	144 Å²	144	101 Å²	101	77%	0.77	52%	0.523	S	S	*	.	S	Bend	trans	-89.9	-14.7	-176.6	-87.7	-21.2	0	0	0	115.5	C208	D204-C208 PolarHBondContact O-SG 3.3Å; D204-C208 VanDerWaalsContact O-SG 3.41Å
205	I	28.8	Very low	29.3	Very low	62 Å²	62	97.8 Å²	97.8	32%	0.318	51%	0.512	S	S	.	.	S	Bend	trans	-95.2	-35.1	-170	-71.1	173	0	0	0	113.6	F321 M324	I205-F321 HydrophobicContact CG2-CE1 3.55Å; I205-F321 HydrophobicContact CG2-CZ 3.72Å; I205-M324 HydrophobicContact CD1-CE 4.41Å; I205-M324 HydrophobicContact CD1-SD 3.72Å
206	Q	29.4	Very low	29.5	Very low	127 Å²	127	99.2 Å²	99.2	59%	0.593	52%	0.522	S	S	*	.	H	α-helix	trans	-88	-19.7	-177.1	-71.7	-178	-11.6	0	0	114
207	N	30.8	Very low	29.7	Very low	57 Å²	57	96 Å²	96	31%	0.305	52%	0.52	S	S	.	.	H	α-helix	trans	-76.8	-24.7	176.3	-103.2	-16.6	0	0	0	113	V211	N207-V211 WeakPolarHBondContact O-CB 3.2Å; N207-V211 WeakPolarHBondContact O-CG2 3.41Å; N207-V211 PolarHBondContact O-N 2.85Å
208	C	27.2	Very low	30	Very low	54 Å²	54	96.5 Å²	96.5	37%	0.365	51%	0.51	S	S	.	.	H	α-helix	trans	-73.7	-42.4	-178.2	-66.2	0	0	0	0	112.6	D204 L210 V211 D212	D204-C208 PolarHBondContact O-SG 3.3Å; D204-C208 VanDerWaalsContact O-SG 3.41Å; C208-L210 PolarHBondContact O-N 3.45Å; C208-V211 PolarHBondContact O-N 3.44Å; C208-D212 WeakPolarHBondContact O-CB 3.43Å; C208-D212 VanDerWaalsContact O-CG 3.29Å; C208-D212 PolarHBondContact O-N 3.43Å
209	A	27.7	Very low	30.5	Very low	66 Å²	66	95.6 Å²	95.6	55%	0.545	51%	0.506	S	S	.	.	H	α-helix	trans	-73.4	-27.4	-176.3	0	0	0	0	0	114.8	S213	A209-S213 PolarHBondContact O-N 2.95Å; A209-S213 PolarHBondContact O-OG 3.01Å
210	L	28.1	Very low	30.7	Very low	121 Å²	121	93.1 Å²	93.1	63%	0.634	50%	0.502	S	S	*	.	H	α-helix	trans	-81	-30.7	175.5	-91.4	153.7	0	0	0	112.3	C208 S213 A214	C208-L210 PolarHBondContact O-N 3.45Å; L210-S213 PolarHBondContact O-OG 3.33Å; L210-A214 WeakPolarHBondContact O-CB 3.32Å; L210-A214 PolarHBondContact O-N 3.08Å
211	V	28.8	Very low	31.1	Very low	57 Å²	57	86.5 Å²	86.5	35%	0.345	48%	0.481	S	S	.	.	H	α-helix	trans	-71.5	-41.2	171.3	173.3	0	0	0	0	110.1	N207 C208 S213 D215	N207-V211 WeakPolarHBondContact O-CB 3.2Å; N207-V211 WeakPolarHBondContact O-CG2 3.41Å; N207-V211 PolarHBondContact O-N 2.85Å; C208-V211 PolarHBondContact O-N 3.44Å; V211-S213 PolarHBondContact O-N 3.15Å; V211-D215 VanDerWaalsContact CG1-OD2 3.25Å; V211-D215 WeakPolarHBondContact CG1-OD2 3.27Å; V211-D215 WeakPolarHBondContact O-CB 3.48Å; V211-D215 PolarHBondContact O-N 2.84Å
212	D	30.7	Very low	31.5	Very low	69 Å²	69	81.1 Å²	81.1	37%	0.369	45%	0.454	S	S	.	.	H	α-helix	trans	-63	-35.9	178.5	-77.6	-26.3	0	0	0	114	C208 S216	C208-D212 WeakPolarHBondContact O-CB 3.43Å; C208-D212 VanDerWaalsContact O-CG 3.29Å; C208-D212 PolarHBondContact O-N 3.43Å; D212-S216 VanDerWaalsContact O-CB 3.3Å; D212-S216 WeakPolarHBondContact O-CB 3.12Å; D212-S216 PolarHBondContact O-N 2.96Å; D212-S216 VanDerWaalsContact O-N 3.09Å; D212-S216 PolarHBondContact O-OG 3.33Å
213	S	28.8	Very low	31.8	Very low	41 Å²	41	74.7 Å²	74.7	29%	0.287	43%	0.429	S	S	.	.	H	α-helix	trans	-83.6	-36.1	-178.7	50	0	0	0	0	113.3	A209 L210 V211 S216 A217	A209-S213 PolarHBondContact O-N 2.95Å; A209-S213 PolarHBondContact O-OG 3.01Å; L210-S213 PolarHBondContact O-OG 3.33Å; V211-S213 PolarHBondContact O-N 3.15Å; S213-S216 PolarHBondContact O-OG 3.26Å; S213-A217 WeakPolarHBondContact O-CB 3.16Å; S213-A217 PolarHBondContact O-N 3.09Å
214	A	29.4	Very low	32.4	Very low	33 Å²	33	76.4 Å²	76.4	27%	0.273	44%	0.437	S	S	.	.	H	α-helix	trans	-70	-38.6	172.8	0	0	0	0	0	111.5	A191 L210 Y218	A191-A214 HydrophobicContact CB-CB 3.9Å; L210-A214 WeakPolarHBondContact O-CB 3.32Å; L210-A214 PolarHBondContact O-N 3.08Å; A214-Y218 WeakPolarHBondContact O-CB 3.38Å; A214-Y218 PolarHBondContact O-N 2.91Å
215	D	29.7	Very low	32.7	Very low	79 Å²	79	72.2 Å²	72.2	42%	0.422	41%	0.412	S	S	.	.	H	α-helix	trans	-79.8	-27.8	-178.7	-72.1	-19.2	0	0	0	112.9	V211 N219	V211-D215 VanDerWaalsContact CG1-OD2 3.25Å; V211-D215 WeakPolarHBondContact CG1-OD2 3.27Å; V211-D215 WeakPolarHBondContact O-CB 3.48Å; V211-D215 PolarHBondContact O-N 2.84Å; D215-N219 VanDerWaalsContact O-CB 3.25Å; D215-N219 WeakPolarHBondContact O-CB 3.18Å; D215-N219 VanDerWaalsContact O-CG 3.28Å; D215-N219 PolarHBondContact O-N 2.86Å; D215-N219 PolarHBondContact O-ND2 2.96Å
216	S	31.6	Very low	33.3	Very low	76 Å²	76	72.1 Å²	72.1	53%	0.531	41%	0.412	S	S	.	.	H	α-helix	trans	-71	-39.9	171.6	78.1	0	0	0	0	112.3	D212 S213 A220	D212-S216 VanDerWaalsContact O-CB 3.3Å; D212-S216 WeakPolarHBondContact O-CB 3.12Å; D212-S216 PolarHBondContact O-N 2.96Å; D212-S216 VanDerWaalsContact O-N 3.09Å; D212-S216 PolarHBondContact O-OG 3.33Å; S213-S216 PolarHBondContact O-OG 3.26Å; S216-A220 WeakPolarHBondContact O-CB 3.36Å; S216-A220 PolarHBondContact O-N 3.43Å
217	A	29.8	Very low	34.2	Very low	46 Å²	46	70.7 Å²	70.7	38%	0.38	41%	0.408	S	S	.	.	H	α-helix	trans	-67.6	-43.9	174.8	0	0	0	0	0	110.8	S213 N219 A220 E221	S213-A217 WeakPolarHBondContact O-CB 3.16Å; S213-A217 PolarHBondContact O-N 3.09Å; A217-N219 PolarHBondContact O-N 3.08Å; A217-A220 PolarHBondContact O-N 3.17Å; A217-E221 WeakPolarHBondContact O-CB 3.28Å; A217-E221 WeakPolarHBondContact O-CG 3.33Å; A217-E221 PolarHBondContact O-N 3.5Å
218	Y	32.9	Very low	34.9	Very low	106 Å²	106	73.6 Å²	73.6	42%	0.416	42%	0.42	S	S	.	.	H	α-helix	trans	-59.8	-44.9	174.9	-174.7	-102.1	0	0	0	112.4	A188 A214 V222	A188-Y218 HydrophobicContact CB-CD2 4.04Å; A188-Y218 HydrophobicContact CB-CE2 3.79Å; A214-Y218 WeakPolarHBondContact O-CB 3.38Å; A214-Y218 PolarHBondContact O-N 2.91Å; Y218-V222 HydrophobicContact CD1-CG2 4.22Å; Y218-V222 HydrophobicContact CD2-CG2 4.17Å; Y218-V222 HydrophobicContact CE1-CG2 4.01Å; Y218-V222 HydrophobicContact CE2-CG2 3.94Å; Y218-V222 HydrophobicContact CG-CG2 4.3Å; Y218-V222 WeakPolarHBondContact O-CB 3.41Å; Y218-V222 WeakPolarHBondContact O-CG2 3.43Å; Y218-V222 PolarHBondContact O-N 3.46Å
219	N	35.7	Very low	35.7	Very low	96 Å²	96	72.8 Å²	72.8	51%	0.513	41%	0.412	S	S	.	.	H	α-helix	trans	-72.1	-32	-179.7	-78.5	-40.7	0	0	0	113.4	D215 A217 S223	D215-N219 VanDerWaalsContact O-CB 3.25Å; D215-N219 WeakPolarHBondContact O-CB 3.18Å; D215-N219 VanDerWaalsContact O-CG 3.28Å; D215-N219 PolarHBondContact O-N 2.86Å; D215-N219 PolarHBondContact O-ND2 2.96Å; A217-N219 PolarHBondContact O-N 3.08Å; N219-S223 WeakPolarHBondContact O-CB 3.37Å; N219-S223 PolarHBondContact O-N 3.13Å; N219-S223 PolarHBondContact O-OG 2.97Å
220	A	36.8	Very low	36.5	Very low	57 Å²	57	71.4 Å²	71.4	47%	0.471	39%	0.394	S	S	.	.	H	α-helix	trans	-69.7	-50.3	174.2	0	0	0	0	0	110.9	S216 A217 S223 E224	S216-A220 WeakPolarHBondContact O-CB 3.36Å; S216-A220 PolarHBondContact O-N 3.43Å; A217-A220 PolarHBondContact O-N 3.17Å; A220-S223 PolarHBondContact O-N 2.88Å; A220-E224 VanDerWaalsContact O-CB 3.3Å; A220-E224 WeakPolarHBondContact O-CB 3.39Å; A220-E224 PolarHBondContact O-N 3.17Å
221	E	35.5	Very low	37.6	Very low	94 Å²	94	70.8 Å²	70.8	44%	0.439	39%	0.391	S	S	.	.	H	α-helix	trans	-66	-40	179.1	-72.6	-179	-179.7	0	0	112.2	A217 F225	A217-E221 WeakPolarHBondContact O-CB 3.28Å; A217-E221 WeakPolarHBondContact O-CG 3.33Å; A217-E221 PolarHBondContact O-N 3.5Å; E221-F225 WeakPolarHBondContact O-CB 3.25Å; E221-F225 PolarHBondContact O-N 2.84Å
222	V	38.5	Very low	38.2	Very low	47 Å²	47	71.7 Å²	71.7	29%	0.285	39%	0.391	S	S	.	.	H	α-helix	trans	-68.5	-37.4	174.7	172.9	0	0	0	0	111	Y218 L226	Y218-V222 HydrophobicContact CD1-CG2 4.22Å; Y218-V222 HydrophobicContact CD2-CG2 4.17Å; Y218-V222 HydrophobicContact CE1-CG2 4.01Å; Y218-V222 HydrophobicContact CE2-CG2 3.94Å; Y218-V222 HydrophobicContact CG-CG2 4.3Å; Y218-V222 WeakPolarHBondContact O-CB 3.41Å; Y218-V222 WeakPolarHBondContact O-CG2 3.43Å; Y218-V222 PolarHBondContact O-N 3.46Å; V222-L226 HydrophobicContact CG1-CD1 3.94Å; V222-L226 HydrophobicContact CG1-CG 4.3Å; V222-L226 VanDerWaalsContact O-CB 3.25Å; V222-L226 WeakPolarHBondContact O-CB 3.38Å; V222-L226 WeakPolarHBondContact O-CG 3.37Å; V222-L226 PolarHBondContact O-N 2.91Å
223	S	39.5	Very low	38.6	Very low	50 Å²	50	70.8 Å²	70.8	35%	0.35	39%	0.386	S	S	.	.	H	α-helix	trans	-68.9	-40.9	175.4	-68.9	0	0	0	0	112.2	N219 A220 L226 N227	N219-S223 WeakPolarHBondContact O-CB 3.37Å; N219-S223 PolarHBondContact O-N 3.13Å; N219-S223 PolarHBondContact O-OG 2.97Å; A220-S223 PolarHBondContact O-N 2.88Å; S223-L226 PolarHBondContact O-N 3.47Å; S223-N227 WeakPolarHBondContact O-CB 3.36Å; S223-N227 PolarHBondContact O-N 3.08Å; S223-N227 PolarHBondContact O-ND2 2.86Å
224	E	44.4	Very low	39.3	Very low	122 Å²	122	72.6 Å²	72.6	57%	0.57	40%	0.398	S	S	*	.	H	α-helix	trans	-66.6	-44.6	176.5	-168.1	167	-158.1	0	0	110.5	A220 L226 N227 E228	A220-E224 VanDerWaalsContact O-CB 3.3Å; A220-E224 WeakPolarHBondContact O-CB 3.39Å; A220-E224 PolarHBondContact O-N 3.17Å; E224-L226 PolarHBondContact O-N 3.07Å; E224-N227 CarbonylContact O-C 3.6Å; E224-N227 PolarHBondContact O-N 2.92Å; E224-E228 PolarHBondContact O-N 3.24Å
225	F	43.3	Very low	40	Very low	57 Å²	57	76.9 Å²	76.9	25%	0.25	41%	0.413	C	S	.	.	H	α-helix	trans	-56.5	-48.5	170.9	168.5	-100.2	0	0	0	112.4	V181 E221 N227 E228 L229	V181-F225 HydrophobicContact CG2-CD2 4.42Å; V181-F225 HydrophobicContact CG2-CE2 3.77Å; V181-F225 HydrophobicContact CG2-CZ 4.27Å; E221-F225 WeakPolarHBondContact O-CB 3.25Å; E221-F225 PolarHBondContact O-N 2.84Å; F225-N227 VanDerWaalsContact C-N 3.32Å; F225-N227 PolarHBondContact O-N 3.14Å; F225-E228 PolarHBondContact O-N 3.33Å; F225-L229 HydrophobicContact CE2-CD1 4.42Å; F225-L229 HydrophobicContact CZ-CD1 4.15Å; F225-L229 VanDerWaalsContact O-CB 3.25Å; F225-L229 WeakPolarHBondContact O-CB 2.98Å; F225-L229 PolarHBondContact O-N 2.89Å
226	L	41.1	Very low	40.5	Very low	59 Å²	59	82.4 Å²	82.4	31%	0.309	44%	0.436	S	S	.	.	H	α-helix	trans	-63.3	-41.3	178	-76.6	172.9	0	0	0	110.4	V222 S223 E224 L229 F230	V222-L226 HydrophobicContact CG1-CD1 3.94Å; V222-L226 HydrophobicContact CG1-CG 4.3Å; V222-L226 VanDerWaalsContact O-CB 3.25Å; V222-L226 WeakPolarHBondContact O-CB 3.38Å; V222-L226 WeakPolarHBondContact O-CG 3.37Å; V222-L226 PolarHBondContact O-N 2.91Å; S223-L226 PolarHBondContact O-N 3.47Å; E224-L226 PolarHBondContact O-N 3.07Å; L226-L229 PolarHBondContact O-N 2.91Å; L226-F230 VanDerWaalsContact C-CD2 3.47Å; L226-F230 HydrophobicContact CB-CD2 4.22Å; L226-F230 HydrophobicContact CB-CE2 3.91Å; L226-F230 HydrophobicContact CD2-CE2 4.42Å; L226-F230 WeakPolarHBondContact O-CB 3.37Å; L226-F230 WeakPolarHBondContact O-CD2 3.27Å; L226-F230 WeakPolarHBondContact O-CG 3.38Å; L226-F230 PolarHBondContact O-N 3.47Å
227	N	48.1	Very low	41.1	Very low	97 Å²	97	85.7 Å²	85.7	52%	0.519	45%	0.447	S	S	.	.	H	α-helix	trans	-64.5	-44.5	176.2	-74.1	-24	0	0	0	112.2	S223 E224 F225 L229 F230 D231	S223-N227 WeakPolarHBondContact O-CB 3.36Å; S223-N227 PolarHBondContact O-N 3.08Å; S223-N227 PolarHBondContact O-ND2 2.86Å; E224-N227 CarbonylContact O-C 3.6Å; E224-N227 PolarHBondContact O-N 2.92Å; F225-N227 VanDerWaalsContact C-N 3.32Å; F225-N227 PolarHBondContact O-N 3.14Å; N227-L229 VanDerWaalsContact C-N 3.32Å; N227-L229 PolarHBondContact O-N 3.29Å; N227-F230 CarbonylContact O-C 3.54Å; N227-F230 PolarHBondContact O-N 2.88Å; N227-F230 VanDerWaalsContact O-N 3.15Å; N227-D231 WeakPolarHBondContact O-CB 3.46Å; N227-D231 PolarHBondContact O-N 2.85Å
228	E	45.8	Very low	41.7	Very low	118 Å²	118	89.2 Å²	89.2	55%	0.551	46%	0.458	S	S	*	.	H	α-helix	trans	-63.4	-39	174.7	-76.1	-168.5	161.7	0	0	111.8	E224 F225 F230 F232	E224-E228 PolarHBondContact O-N 3.24Å; F225-E228 PolarHBondContact O-N 3.33Å; E228-F230 VanDerWaalsContact C-N 3.34Å; E228-F232 WeakPolarHBondContact O-CB 3.26Å; E228-F232 PolarHBondContact O-N 3.48Å
229	L	42.9	Very low	42.1	Very low	38 Å²	38	89.6 Å²	89.6	20%	0.199	47%	0.473	C	S	.	.	H	α-helix	trans	-64.4	-41.1	173.4	-159.1	91.2	0	0	0	110.3	F225 L226 N227 F232 L233	F225-L229 HydrophobicContact CE2-CD1 4.42Å; F225-L229 HydrophobicContact CZ-CD1 4.15Å; F225-L229 VanDerWaalsContact O-CB 3.25Å; F225-L229 WeakPolarHBondContact O-CB 2.98Å; F225-L229 PolarHBondContact O-N 2.89Å; L226-L229 PolarHBondContact O-N 2.91Å; N227-L229 VanDerWaalsContact C-N 3.32Å; N227-L229 PolarHBondContact O-N 3.29Å; L229-F232 CarbonylContact O-C 3.6Å; L229-F232 PolarHBondContact O-N 2.77Å; L229-L233 HydrophobicContact CD2-CD1 4.33Å; L229-L233 HydrophobicContact CG-CD1 4.37Å; L229-L233 WeakPolarHBondContact O-CB 3.46Å; L229-L233 WeakPolarHBondContact O-CD1 3.47Å; L229-L233 WeakPolarHBondContact O-CG 3.24Å; L229-L233 PolarHBondContact O-N 3.15Å
230	F	45.1	Very low	42.2	Very low	37 Å²	37	87.3 Å²	87.3	16%	0.162	46%	0.464	C	S	.	.	H	α-helix	trans	-69.6	-40.4	178.1	-72.6	-51.4	0	0	0	112.6	L226 N227 E228 F232 L233 S234 F292	L226-F230 VanDerWaalsContact C-CD2 3.47Å; L226-F230 HydrophobicContact CB-CD2 4.22Å; L226-F230 HydrophobicContact CB-CE2 3.91Å; L226-F230 HydrophobicContact CD2-CE2 4.42Å; L226-F230 WeakPolarHBondContact O-CB 3.37Å; L226-F230 WeakPolarHBondContact O-CD2 3.27Å; L226-F230 WeakPolarHBondContact O-CG 3.38Å; L226-F230 PolarHBondContact O-N 3.47Å; N227-F230 CarbonylContact O-C 3.54Å; N227-F230 PolarHBondContact O-N 2.88Å; N227-F230 VanDerWaalsContact O-N 3.15Å; E228-F230 VanDerWaalsContact C-N 3.34Å; F230-F232 VanDerWaalsContact C-N 3.31Å; F230-L233 HydrophobicContact CD1-CD1 4.43Å; F230-L233 CarbonylContact O-C 3.58Å; F230-L233 WeakPolarHBondContact O-CA 3.3Å; F230-L233 PolarHBondContact O-N 3.19Å; F230-S234 WeakPolarHBondContact O-CB 3.38Å; F230-S234 PolarHBondContact O-N 2.81Å; F230-S234 PolarHBondContact O-OG 2.86Å; F230-F292 AromaticContact CE1-CD1 3.99Å; F230-F292 HydrophobicContact CE1-CD1 3.99Å; F230-F292 HydrophobicContact CE1-CE1 4.16Å
231	D	50.3	Low	42.6	Very low	107 Å²	107	86.4 Å²	86.4	57%	0.572	45%	0.448	S	S	*	.	H	α-helix	trans	-64.9	-37.8	171.9	-80.6	-10.6	0	0	0	111.2	N227 L233 S234 Q235	N227-D231 WeakPolarHBondContact O-CB 3.46Å; N227-D231 PolarHBondContact O-N 2.85Å; D231-L233 PolarHBondContact O-N 3.44Å; D231-S234 WeakPolarHBondContact CA-OG 3.28Å; D231-S234 PolarHBondContact O-OG 3.16Å; D231-S234 VanDerWaalsContact O-OG 3.08Å; D231-Q235 WeakPolarHBondContact O-CG 3.26Å
232	F	42.7	Very low	43	Very low	77 Å²	77	86.9 Å²	86.9	34%	0.338	45%	0.45	S	S	.	.	H	α-helix	trans	-69.6	-19.6	170.3	-178	-96	0	0	0	112.3	L170 E228 L229 F230 R241	L170-F232 HydrophobicContact CD2-CZ 4.15Å; E228-F232 WeakPolarHBondContact O-CB 3.26Å; E228-F232 PolarHBondContact O-N 3.48Å; L229-F232 CarbonylContact O-C 3.6Å; L229-F232 PolarHBondContact O-N 2.77Å; F230-F232 VanDerWaalsContact C-N 3.31Å; F232-R241 PolarHBondContact O-NE 3.01Å; F232-R241 PolarHBondContact O-NH1 3.49Å; F232-R241 PolarHBondContact O-NH2 3.46Å
233	L	38.7	Very low	43.3	Very low	50 Å²	50	89 Å²	89	26%	0.262	46%	0.457	S	S	.	.	H	α-helix	trans	-91	-25	176.4	-72.9	169.3	0	0	0	112.4	L229 F230 D231 R241 V245	L229-L233 HydrophobicContact CD2-CD1 4.33Å; L229-L233 HydrophobicContact CG-CD1 4.37Å; L229-L233 WeakPolarHBondContact O-CB 3.46Å; L229-L233 WeakPolarHBondContact O-CD1 3.47Å; L229-L233 WeakPolarHBondContact O-CG 3.24Å; L229-L233 PolarHBondContact O-N 3.15Å; F230-L233 HydrophobicContact CD1-CD1 4.43Å; F230-L233 CarbonylContact O-C 3.58Å; F230-L233 WeakPolarHBondContact O-CA 3.3Å; F230-L233 PolarHBondContact O-N 3.19Å; D231-L233 PolarHBondContact O-N 3.44Å; L233-R241 VanDerWaalsContact C-NH1 3.31Å; L233-R241 PolarHBondContact O-NH1 3.2Å; L233-V245 HydrophobicContact CD2-CG2 3.34Å
234	S	44.4	Very low	43.5	Very low	78 Å²	78	90.5 Å²	90.5	55%	0.545	46%	0.459	S	S	.	.	H	α-helix	trans	-83.3	-11.2	-173	66.3	0	0	0	0	116.1	F230 D231 E236	F230-S234 WeakPolarHBondContact O-CB 3.38Å; F230-S234 PolarHBondContact O-N 2.81Å; F230-S234 PolarHBondContact O-OG 2.86Å; D231-S234 WeakPolarHBondContact CA-OG 3.28Å; D231-S234 PolarHBondContact O-OG 3.16Å; D231-S234 VanDerWaalsContact O-OG 3.08Å; S234-E236 PolarHBondContact O-N 2.79Å
235	Q	44.1	Very low	43.4	Very low	124 Å²	124	86.3 Å²	86.3	58%	0.579	44%	0.441	S	S	*	.			trans	-71.9	120.1	179	-40.6	177.6	-26.6	0	0	111.6	D231 D237 R241	D231-Q235 WeakPolarHBondContact O-CG 3.26Å; Q235-D237 VanDerWaalsContact C-N 3.29Å; Q235-D237 PolarHBondContact O-N 3.09Å; Q235-R241 VanDerWaalsContact CB-NH2 3.35Å; Q235-R241 PolarHBondContact O-NH1 3.15Å
236	E	40.3	Very low	43.5	Very low	194 Å²	194	87.7 Å²	87.7	91%	0.907	45%	0.445	S	S	*	.	S	Bend	trans	-67	-2.9	-160.3	-72.5	-177	136.9	0	0	118.6	S234	S234-E236 PolarHBondContact O-N 2.79Å
237	D	43.6	Very low	43.7	Very low	145 Å²	145	88.3 Å²	88.3	78%	0.775	45%	0.448	S	S	*	.			trans	-127.1	100.1	-172.4	-88.7	-39	0	0	0	112.3	Q235	Q235-D237 VanDerWaalsContact C-N 3.29Å; Q235-D237 PolarHBondContact O-N 3.09Å
238	M	42.5	Very low	43.4	Very low	121 Å²	121	87.3 Å²	87.3	60%	0.596	44%	0.438	S	S	*	.			trans	170.4	124.8	135	-92.9	-164.8	-139.4	0	0	112.3	C240 R241	M238-C240 HydrophobicContact CB-CB 4.42Å; M238-C240 PolarHBondContact O-N 3.38Å; M238-R241 WeakPolarHBondContact O-CB 3.47Å; M238-R241 PolarHBondContact O-N 3.42Å
239	P	40.4	Very low	43.1	Very low	114 Å²	114	83 Å²	83	74%	0.74	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-24.3	173	-26.4	33.4	0	0	0	115	R241 Q242	P239-R241 PolarHBondContact O-N 3.32Å; P239-Q242 PolarHBondContact O-N 3.48Å
240	C	39.3	Very low	43.3	Very low	47 Å²	47	89 Å²	89	32%	0.318	45%	0.445	S	S	.	.	H	α-helix	trans	-60.2	-26.7	176.8	-47.4	0	0	0	0	112.9	M238 H244	M238-C240 HydrophobicContact CB-CB 4.42Å; M238-C240 PolarHBondContact O-N 3.38Å; C240-H244 PolarHBondContact O-N 3.01Å; C240-H244 VanDerWaalsContact O-N 3.11Å
241	R	45	Very low	43	Very low	39 Å²	39	90.2 Å²	90.2	15%	0.147	46%	0.462	C	S	.	.	H	α-helix	trans	-68.9	-41	179.9	-87.8	-169.6	176.9	163.4	14.9	114.2	F232 L233 Q235 M238 P239 Q243 H244 V245	F232-R241 PolarHBondContact O-NE 3.01Å; F232-R241 PolarHBondContact O-NH1 3.49Å; F232-R241 PolarHBondContact O-NH2 3.46Å; L233-R241 VanDerWaalsContact C-NH1 3.31Å; L233-R241 PolarHBondContact O-NH1 3.2Å; Q235-R241 VanDerWaalsContact CB-NH2 3.35Å; Q235-R241 PolarHBondContact O-NH1 3.15Å; M238-R241 WeakPolarHBondContact O-CB 3.47Å; M238-R241 PolarHBondContact O-N 3.42Å; P239-R241 PolarHBondContact O-N 3.32Å; R241-Q243 PolarHBondContact O-N 2.96Å; R241-H244 PolarHBondContact O-N 3.32Å; R241-V245 WeakPolarHBondContact O-CG2 2.93Å; R241-V245 PolarHBondContact O-N 3.44Å
242	Q	42.5	Very low	42.5	Very low	104 Å²	104	87.6 Å²	87.6	49%	0.486	45%	0.449	S	S	.	.	H	α-helix	trans	-63.6	-36.8	-178.9	-70.8	-179.2	-12.9	0	0	111.1	P239 R246	P239-Q242 PolarHBondContact O-N 3.48Å; Q242-R246 WeakPolarHBondContact O-CB 3.43Å; Q242-R246 VanDerWaalsContact O-CG 3.22Å; Q242-R246 WeakPolarHBondContact O-CG 3.49Å; Q242-R246 PolarHBondContact O-N 2.79Å
243	Q	45	Very low	42.5	Very low	92 Å²	92	87.5 Å²	87.5	43%	0.43	45%	0.453	S	S	.	.	H	α-helix	trans	-70.1	-41.8	174.6	-169.5	58.7	36.1	0	0	111.4	R241 R246 D247	R241-Q243 PolarHBondContact O-N 2.96Å; Q243-R246 WeakPolarHBondContact O-CB 3.38Å; Q243-R246 PolarHBondContact O-N 2.95Å; Q243-D247 PolarHBondContact NE2-OD1 3.25Å; Q243-D247 PolarHBondContact NE2-OD2 3.16Å; Q243-D247 WeakPolarHBondContact O-CB 3.44Å; Q243-D247 PolarHBondContact O-N 2.79Å
244	H	45	Very low	42.6	Very low	81 Å²	81	87.6 Å²	87.6	38%	0.375	46%	0.457	S	S	.	.	H	α-helix	trans	-65.1	-38.1	174.7	-79.8	7.8	0	0	0	113.8	C240 R241 D247 Y248	C240-H244 PolarHBondContact O-N 3.01Å; C240-H244 VanDerWaalsContact O-N 3.11Å; R241-H244 PolarHBondContact O-N 3.32Å; H244-D247 PolarHBondContact O-N 2.89Å; H244-Y248 WeakPolarHBondContact O-CB 3.22Å; H244-Y248 PolarHBondContact O-N 3.47Å
245	V	41.7	Very low	42.4	Very low	34 Å²	34	93.7 Å²	93.7	21%	0.206	47%	0.468	C	S	.	.	H	α-helix	trans	-63.9	-44.1	171.6	175.1	0	0	0	0	110.1	L233 R241 D247 Y248 C249	L233-V245 HydrophobicContact CD2-CG2 3.34Å; R241-V245 WeakPolarHBondContact O-CG2 2.93Å; R241-V245 PolarHBondContact O-N 3.44Å; V245-D247 PolarHBondContact O-N 3.25Å; V245-Y248 PolarHBondContact O-N 2.76Å; V245-C249 VanDerWaalsContact O-CB 3.25Å; V245-C249 WeakPolarHBondContact O-CB 3.46Å; V245-C249 PolarHBondContact O-N 3.28Å; V245-C249 PolarHBondContact O-SG 2.97Å
246	R	45	Very low	42.3	Very low	86 Å²	86	91.3 Å²	91.3	33%	0.325	46%	0.459	S	S	.	.	H	α-helix	trans	-61.7	-43	175.3	-77.8	173.5	179.6	-167.7	-1.9	112.3	Q242 Q243 K250 L280 P281	Q242-R246 WeakPolarHBondContact O-CB 3.43Å; Q242-R246 VanDerWaalsContact O-CG 3.22Å; Q242-R246 WeakPolarHBondContact O-CG 3.49Å; Q242-R246 PolarHBondContact O-N 2.79Å; Q243-R246 WeakPolarHBondContact O-CB 3.38Å; Q243-R246 PolarHBondContact O-N 2.95Å; R246-K250 VanDerWaalsContact O-CB 3.3Å; R246-K250 WeakPolarHBondContact O-CB 3.15Å; R246-K250 VanDerWaalsContact O-CG 3.27Å; R246-K250 WeakPolarHBondContact O-CG 3.21Å; R246-K250 PolarHBondContact O-N 3.25Å; R246-L280 HydrophobicContact CG-CD2 3.83Å; R246-L280 HydrophobicContact CG-CG 4.4Å; R246-L280 PolarHBondContact NH2-O 2.99Å; R246-P281 PolarHBondContact NH2-O 3.4Å
247	D	45.1	Very low	42.4	Very low	72 Å²	72	85.3 Å²	85.3	39%	0.385	43%	0.433	S	S	.	.	H	α-helix	trans	-72.5	-36	-179.5	-67.3	-24.1	0	0	0	111.3	Q243 H244 V245 K250 A251	Q243-D247 PolarHBondContact NE2-OD1 3.25Å; Q243-D247 PolarHBondContact NE2-OD2 3.16Å; Q243-D247 WeakPolarHBondContact O-CB 3.44Å; Q243-D247 PolarHBondContact O-N 2.79Å; H244-D247 PolarHBondContact O-N 2.89Å; V245-D247 PolarHBondContact O-N 3.25Å; D247-K250 PolarHBondContact O-N 2.97Å; D247-A251 WeakPolarHBondContact O-CB 3.2Å; D247-A251 PolarHBondContact O-N 3.41Å
248	Y	41.1	Very low	42.5	Very low	75 Å²	75	79.7 Å²	79.7	29%	0.294	41%	0.405	S	S	.	.	H	α-helix	trans	-69.4	-46.1	173.6	-172.4	-96.4	0	0	0	111.9	W174 H244 V245 K250 A251 V252	W174-Y248 HydrophobicContact CH2-CD2 4.24Å; W174-Y248 HydrophobicContact CZ2-CD2 4.26Å; H244-Y248 WeakPolarHBondContact O-CB 3.22Å; H244-Y248 PolarHBondContact O-N 3.47Å; V245-Y248 PolarHBondContact O-N 2.76Å; Y248-K250 VanDerWaalsContact C-N 3.26Å; Y248-K250 PolarHBondContact O-N 2.86Å; Y248-A251 CarbonylContact O-C 3.6Å; Y248-A251 PolarHBondContact O-N 3.1Å; Y248-V252 HydrophobicContact CD1-CG2 3.87Å; Y248-V252 HydrophobicContact CD2-CG2 4.46Å; Y248-V252 HydrophobicContact CE1-CG2 3.49Å; Y248-V252 VanDerWaalsContact CE1-CG2 3.49Å; Y248-V252 HydrophobicContact CE2-CG2 4.15Å; Y248-V252 HydrophobicContact CG-CG2 4.34Å; Y248-V252 WeakPolarHBondContact O-CB 3.46Å; Y248-V252 WeakPolarHBondContact O-CG2 3.35Å; Y248-V252 PolarHBondContact O-N 2.69Å
249	C	40.5	Very low	42.6	Very low	29 Å²	29	76.8 Å²	76.8	20%	0.196	40%	0.4	C	S	.	.	H	α-helix	trans	-63.9	-30.6	173.7	-68.9	0	0	0	0	112.3	V245 L280	V245-C249 VanDerWaalsContact O-CB 3.25Å; V245-C249 WeakPolarHBondContact O-CB 3.46Å; V245-C249 PolarHBondContact O-N 3.28Å; V245-C249 PolarHBondContact O-SG 2.97Å; C249-L280 HydrophobicContact CB-CD2 4.21Å
250	K	46.2	Very low	42.8	Very low	164 Å²	164	78.1 Å²	78.1	71%	0.713	39%	0.394	S	S	*	.	H	α-helix	trans	-72.1	-34.3	169	-80.3	177.4	177.7	178.3	0	113	R246 D247 Y248	R246-K250 VanDerWaalsContact O-CB 3.3Å; R246-K250 WeakPolarHBondContact O-CB 3.15Å; R246-K250 VanDerWaalsContact O-CG 3.27Å; R246-K250 WeakPolarHBondContact O-CG 3.21Å; R246-K250 PolarHBondContact O-N 3.25Å; D247-K250 PolarHBondContact O-N 2.97Å; Y248-K250 VanDerWaalsContact C-N 3.26Å; Y248-K250 PolarHBondContact O-N 2.86Å
251	A	39.8	Very low	42.9	Very low	61 Å²	61	77.3 Å²	77.3	50%	0.504	39%	0.387	S	S	.	.	H	α-helix	trans	-81.5	-33.8	-178.4	0	0	0	0	0	113.4	D247 Y248 N253	D247-A251 WeakPolarHBondContact O-CB 3.2Å; D247-A251 PolarHBondContact O-N 3.41Å; Y248-A251 CarbonylContact O-C 3.6Å; Y248-A251 PolarHBondContact O-N 3.1Å; A251-N253 PolarHBondContact O-N 2.87Å
252	V	39.4	Very low	42.9	Very low	52 Å²	52	81.3 Å²	81.3	32%	0.315	41%	0.407	S	S	.	.	S	Bend	trans	-73.2	79.6	167.3	-179.8	0	0	0	0	106.7	Y248 S254 L257	Y248-V252 HydrophobicContact CD1-CG2 3.87Å; Y248-V252 HydrophobicContact CD2-CG2 4.46Å; Y248-V252 HydrophobicContact CE1-CG2 3.49Å; Y248-V252 VanDerWaalsContact CE1-CG2 3.49Å; Y248-V252 HydrophobicContact CE2-CG2 4.15Å; Y248-V252 HydrophobicContact CG-CG2 4.34Å; Y248-V252 WeakPolarHBondContact O-CB 3.46Å; Y248-V252 WeakPolarHBondContact O-CG2 3.35Å; Y248-V252 PolarHBondContact O-N 2.69Å; V252-S254 PolarHBondContact O-N 3.37Å; V252-L257 HydrophobicContact CG1-CD1 3.85Å
253	N	42.9	Very low	42.9	Very low	76 Å²	76	84.9 Å²	84.9	41%	0.406	42%	0.421	S	S	.	.			trans	-35.8	99.8	-176.5	-149.8	-12.6	0	0	0	110	A251 R255 I256 L257	A251-N253 PolarHBondContact O-N 2.87Å; N253-R255 CarbonylContact O-C 3.45Å; N253-R255 PolarHBondContact O-N 3.49Å; N253-I256 HydrophobicContact CB-CB 4.09Å; N253-I256 HydrophobicContact CB-CD1 3.72Å; N253-I256 HydrophobicContact CB-CG1 3.78Å; N253-I256 WeakPolarHBondContact ND2-CD1 2.81Å; N253-I256 WeakPolarHBondContact O-CA 3.11Å; N253-I256 PolarHBondContact O-N 2.83Å; N253-L257 PolarHBondContact O-N 3.39Å; N253-L257 VanDerWaalsContact O-N 3.13Å
254	S	40.1	Very low	42.5	Very low	52 Å²	52	83.6 Å²	83.6	36%	0.364	43%	0.425	S	S	.	.	H	α-helix	trans	-54	-26.3	-177.9	66.5	0	0	0	0	110.9	V252 S258	V252-S254 PolarHBondContact O-N 3.37Å; S254-S258 WeakPolarHBondContact O-CA 3.38Å; S254-S258 WeakPolarHBondContact O-CB 3.42Å; S254-S258 PolarHBondContact O-N 2.59Å; S254-S258 PolarHBondContact O-OG 3.47Å
255	R	41.8	Very low	42.3	Very low	205 Å²	205	82.7 Å²	82.7	77%	0.774	44%	0.438	S	S	*	.	H	α-helix	trans	-63.1	-41.5	170.1	-74.9	-178.2	165.3	-176.5	-5.5	114.2	N253 A259	N253-R255 CarbonylContact O-C 3.45Å; N253-R255 PolarHBondContact O-N 3.49Å; R255-A259 VanDerWaalsContact O-CB 3.24Å; R255-A259 WeakPolarHBondContact O-CB 3.48Å; R255-A259 PolarHBondContact O-N 2.84Å
256	I	40.6	Very low	42.4	Very low	75 Å²	75	85 Å²	85	39%	0.385	45%	0.447	S	S	.	.	H	α-helix	trans	-75.9	-45	-179.3	-62.5	177.7	0	0	0	110.4	N253 S258 A259 K260	N253-I256 HydrophobicContact CB-CB 4.09Å; N253-I256 HydrophobicContact CB-CD1 3.72Å; N253-I256 HydrophobicContact CB-CG1 3.78Å; N253-I256 WeakPolarHBondContact ND2-CD1 2.81Å; N253-I256 WeakPolarHBondContact O-CA 3.11Å; N253-I256 PolarHBondContact O-N 2.83Å; I256-S258 VanDerWaalsContact C-N 3.3Å; I256-S258 PolarHBondContact O-N 3.3Å; I256-A259 PolarHBondContact O-N 3.33Å; I256-K260 HydrophobicContact CG2-CD 4.41Å; I256-K260 WeakPolarHBondContact O-CB 3.17Å; I256-K260 WeakPolarHBondContact O-CG 3.37Å; I256-K260 PolarHBondContact O-N 2.86Å
257	L	42.6	Very low	42.9	Very low	68 Å²	68	84.6 Å²	84.6	36%	0.356	45%	0.449	S	S	.	.	H	α-helix	trans	-64.8	-39.3	175.4	-135.8	87.9	0	0	0	110.4	V252 N253 K260 L261 L273	V252-L257 HydrophobicContact CG1-CD1 3.85Å; N253-L257 PolarHBondContact O-N 3.39Å; N253-L257 VanDerWaalsContact O-N 3.13Å; L257-K260 PolarHBondContact O-N 3.32Å; L257-L261 HydrophobicContact CD2-CD1 4.31Å; L257-L261 WeakPolarHBondContact O-CB 3.1Å; L257-L261 VanDerWaalsContact O-CG 3.27Å; L257-L261 WeakPolarHBondContact O-CG 3.41Å; L257-L261 PolarHBondContact O-N 3.43Å; L257-L273 HydrophobicContact CB-CD2 3.98Å; L257-L273 HydrophobicContact CD2-CD1 3.99Å; L257-L273 HydrophobicContact CD2-CD2 3.67Å; L257-L273 HydrophobicContact CD2-CG 4.5Å; L257-L273 HydrophobicContact CG-CD2 4.39Å
258	S	45.7	Very low	43.2	Very low	26 Å²	26	88.9 Å²	88.9	18%	0.182	47%	0.465	C	S	.	.	H	α-helix	trans	-62.9	-45.6	175.2	-67.8	0	0	0	0	112.5	S254 I256 K260 L261 H262 L270	S254-S258 WeakPolarHBondContact O-CA 3.38Å; S254-S258 WeakPolarHBondContact O-CB 3.42Å; S254-S258 PolarHBondContact O-N 2.59Å; S254-S258 PolarHBondContact O-OG 3.47Å; I256-S258 VanDerWaalsContact C-N 3.3Å; I256-S258 PolarHBondContact O-N 3.3Å; S258-K260 VanDerWaalsContact C-N 3.3Å; S258-K260 PolarHBondContact O-N 2.61Å; S258-L261 PolarHBondContact O-N 3.35Å; S258-H262 WeakPolarHBondContact O-CB 3.25Å; S258-H262 PolarHBondContact O-N 2.99Å; S258-L270 VanDerWaalsContact OG-CD1 3.26Å; S258-L270 WeakPolarHBondContact OG-CD1 3.26Å
259	A	45.8	Very low	43.3	Very low	60 Å²	60	87.6 Å²	87.6	50%	0.496	46%	0.461	S	S	.	.	H	α-helix	trans	-64	-36.3	178.2	0	0	0	0	0	112.1	R255 I256 K263	R255-A259 VanDerWaalsContact O-CB 3.24Å; R255-A259 WeakPolarHBondContact O-CB 3.48Å; R255-A259 PolarHBondContact O-N 2.84Å; I256-A259 PolarHBondContact O-N 3.33Å; A259-K263 VanDerWaalsContact O-CB 3.27Å; A259-K263 WeakPolarHBondContact O-CB 3.38Å; A259-K263 PolarHBondContact O-N 3.49Å; A259-K263 VanDerWaalsContact O-N 3.09Å
260	K	42.6	Very low	43.8	Very low	143 Å²	143	86.6 Å²	86.6	62%	0.622	45%	0.454	S	S	*	.	H	α-helix	trans	-73.1	-43.7	176.6	-73.2	-174.8	175.4	-167.8	0	112.7	I256 L257 S258 K263 A264	I256-K260 HydrophobicContact CG2-CD 4.41Å; I256-K260 WeakPolarHBondContact O-CB 3.17Å; I256-K260 WeakPolarHBondContact O-CG 3.37Å; I256-K260 PolarHBondContact O-N 2.86Å; L257-K260 PolarHBondContact O-N 3.32Å; S258-K260 VanDerWaalsContact C-N 3.3Å; S258-K260 PolarHBondContact O-N 2.61Å; K260-K263 PolarHBondContact O-N 2.86Å; K260-A264 WeakPolarHBondContact O-CB 3.34Å; K260-A264 PolarHBondContact O-N 3.28Å
261	L	41.9	Very low	44.4	Very low	30 Å²	30	85.2 Å²	85.2	16%	0.157	45%	0.45	C	S	.	.	H	α-helix	trans	-65.5	-38.9	177	-72.3	171	0	0	0	111.8	L257 S258 A264 G265 M266 Q269 L270 L273	L257-L261 HydrophobicContact CD2-CD1 4.31Å; L257-L261 WeakPolarHBondContact O-CB 3.1Å; L257-L261 VanDerWaalsContact O-CG 3.27Å; L257-L261 WeakPolarHBondContact O-CG 3.41Å; L257-L261 PolarHBondContact O-N 3.43Å; S258-L261 PolarHBondContact O-N 3.35Å; L261-A264 PolarHBondContact O-N 2.81Å; L261-G265 PolarHBondContact O-N 3.34Å; L261-M266 HydrophobicContact CB-CB 4.44Å; L261-M266 HydrophobicContact CD2-CB 3.91Å; L261-M266 HydrophobicContact CD2-SD 3.9Å; L261-M266 PolarHBondContact O-N 2.81Å; L261-Q269 HydrophobicContact CD1-CB 4.49Å; L261-Q269 HydrophobicContact CD2-CB 4.22Å; L261-L270 HydrophobicContact CB-CB 4.37Å; L261-L270 HydrophobicContact CB-CD1 4.48Å; L261-L273 HydrophobicContact CD1-CD2 4.03Å
262	H	45.3	Very low	44.9	Very low	123 Å²	123	86.9 Å²	86.9	57%	0.569	44%	0.443	S	S	*	.	H	α-helix	trans	-61.7	-45.4	172.5	-170	43.8	0	0	0	111	S258 A264 G265 E267	S258-H262 WeakPolarHBondContact O-CB 3.25Å; S258-H262 PolarHBondContact O-N 2.99Å; H262-A264 VanDerWaalsContact C-N 3.27Å; H262-A264 PolarHBondContact O-N 2.93Å; H262-G265 PolarHBondContact O-N 3.38Å; H262-E267 IonicContact CE1-OE1 3.17Å; H262-E267 PolarHBondContact CE1-OE1 2.88Å; H262-E267 IonicContact CG-OE1 3.84Å; H262-E267 IonicContact ND1-OE1 3.34Å; H262-E267 PolarHBondContact ND1-OE1 3.47Å; H262-E267 IonicContact ND1-OE2 3.87Å
263	K	42.2	Very low	45.4	Very low	179 Å²	179	86.3 Å²	86.3	78%	0.778	44%	0.438	S	S	*	.	H	α-helix	trans	-68.5	-23	178.8	-157.8	173.9	-174.8	-179.7	0	113.8	A259 K260	A259-K263 VanDerWaalsContact O-CB 3.27Å; A259-K263 WeakPolarHBondContact O-CB 3.38Å; A259-K263 PolarHBondContact O-N 3.49Å; A259-K263 VanDerWaalsContact O-N 3.09Å; K260-K263 PolarHBondContact O-N 2.86Å
264	A	38	Very low	46.2	Very low	64 Å²	64	87.7 Å²	87.7	53%	0.529	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	4.4	175.6	0	0	0	0	0	113.8	K260 L261 H262 M266	K260-A264 WeakPolarHBondContact O-CB 3.34Å; K260-A264 PolarHBondContact O-N 3.28Å; L261-A264 PolarHBondContact O-N 2.81Å; H262-A264 VanDerWaalsContact C-N 3.27Å; H262-A264 PolarHBondContact O-N 2.93Å; A264-M266 HydrophobicContact CB-CG 4.11Å; A264-M266 HydrophobicContact CB-SD 4.46Å; A264-M266 PolarHBondContact O-N 2.85Å
265	G	39.2	Very low	47.2	Very low	62 Å²	62	90.5 Å²	90.5	64%	0.639	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	17	-177.7	0	0	0	0	0	114.4	L261 H262 E267	L261-G265 PolarHBondContact O-N 3.34Å; H262-G265 PolarHBondContact O-N 3.38Å; G265-E267 VanDerWaalsContact C-N 3.32Å; G265-E267 PolarHBondContact O-N 3.47Å
266	M	44.4	Very low	47.6	Very low	83 Å²	83	81.5 Å²	81.5	41%	0.409	41%	0.41	S	S	.	.			trans	-92.3	48.7	-175.5	-64.9	-171.8	174.3	0	0	112.4	L261 A264 K268 Q269 L270	L261-M266 HydrophobicContact CB-CB 4.44Å; L261-M266 HydrophobicContact CD2-CB 3.91Å; L261-M266 HydrophobicContact CD2-SD 3.9Å; L261-M266 PolarHBondContact O-N 2.81Å; A264-M266 HydrophobicContact CB-CG 4.11Å; A264-M266 HydrophobicContact CB-SD 4.46Å; A264-M266 PolarHBondContact O-N 2.85Å; M266-K268 VanDerWaalsContact C-N 3.28Å; M266-K268 PolarHBondContact O-N 2.67Å; M266-Q269 HydrophobicContact CB-CB 4.24Å; M266-Q269 HydrophobicContact CB-CG 4.35Å; M266-Q269 PolarHBondContact O-N 2.83Å; M266-L270 PolarHBondContact O-N 3.36Å
267	E	55.8	Low	48.1	Very low	78 Å²	78	80.5 Å²	80.5	36%	0.364	41%	0.405	S	S	.	.	H	α-helix	trans	-54.9	-39.1	-176.1	-68.1	-53.5	137.7	0	0	113.6	H262 G265 Q269 L270 E271	H262-E267 IonicContact CE1-OE1 3.17Å; H262-E267 PolarHBondContact CE1-OE1 2.88Å; H262-E267 IonicContact CG-OE1 3.84Å; H262-E267 IonicContact ND1-OE1 3.34Å; H262-E267 PolarHBondContact ND1-OE1 3.47Å; H262-E267 IonicContact ND1-OE2 3.87Å; G265-E267 VanDerWaalsContact C-N 3.32Å; G265-E267 PolarHBondContact O-N 3.47Å; E267-Q269 VanDerWaalsContact C-N 3.27Å; E267-Q269 PolarHBondContact O-N 3.17Å; E267-L270 WeakPolarHBondContact O-CB 3.44Å; E267-L270 PolarHBondContact O-N 3.43Å; E267-L270 VanDerWaalsContact O-N 3.15Å; E267-L270 WeakPolarHBondContact OE2-CD2 3.18Å; E267-E271 PolarHBondContact O-N 3.25Å
268	K	50.6	Low	48.8	Very low	162 Å²	162	83.9 Å²	83.9	70%	0.704	42%	0.419	S	S	*	.	H	α-helix	trans	-61.8	-36.1	176.6	-72	-176.8	178.9	175.5	0	112.3	M266 R272	M266-K268 VanDerWaalsContact C-N 3.28Å; M266-K268 PolarHBondContact O-N 2.67Å; K268-R272 WeakPolarHBondContact O-CB 3.28Å; K268-R272 WeakPolarHBondContact O-CD 2.86Å; K268-R272 WeakPolarHBondContact O-CG 3.28Å; K268-R272 PolarHBondContact O-N 2.91Å; K268-R272 VanDerWaalsContact O-N 3.08Å
269	Q	44.3	Very low	49.4	Very low	48 Å²	48	85.6 Å²	85.6	22%	0.224	42%	0.424	C	S	.	.	H	α-helix	trans	-76.9	-32.5	177.2	-58.8	-59.6	-10.2	0	0	111.2	L261 M266 E267 R272 L273	L261-Q269 HydrophobicContact CD1-CB 4.49Å; L261-Q269 HydrophobicContact CD2-CB 4.22Å; M266-Q269 HydrophobicContact CB-CB 4.24Å; M266-Q269 HydrophobicContact CB-CG 4.35Å; M266-Q269 PolarHBondContact O-N 2.83Å; E267-Q269 VanDerWaalsContact C-N 3.27Å; E267-Q269 PolarHBondContact O-N 3.17Å; Q269-R272 PolarHBondContact O-N 3.49Å; Q269-L273 VanDerWaalsContact O-CB 3.26Å; Q269-L273 WeakPolarHBondContact O-CB 3.13Å; Q269-L273 PolarHBondContact O-N 2.95Å
270	L	51	Low	49.7	Very low	8 Å²	8	83.6 Å²	83.6	4%	0.042	41%	0.405	C	S	.	.	H	α-helix	trans	-61.9	-46.8	170.7	-178.2	70.2	0	0	0	111.7	S258 L261 M266 E267 L273 K274	S258-L270 VanDerWaalsContact OG-CD1 3.26Å; S258-L270 WeakPolarHBondContact OG-CD1 3.26Å; L261-L270 HydrophobicContact CB-CB 4.37Å; L261-L270 HydrophobicContact CB-CD1 4.48Å; M266-L270 PolarHBondContact O-N 3.36Å; E267-L270 WeakPolarHBondContact O-CB 3.44Å; E267-L270 PolarHBondContact O-N 3.43Å; E267-L270 VanDerWaalsContact O-N 3.15Å; E267-L270 WeakPolarHBondContact OE2-CD2 3.18Å; L270-L273 PolarHBondContact O-N 3.11Å; L270-K274 HydrophobicContact CG-CD 4.48Å; L270-K274 WeakPolarHBondContact O-CB 2.98Å; L270-K274 WeakPolarHBondContact O-CG 2.76Å; L270-K274 PolarHBondContact O-N 3.34Å
271	E	58.1	Low	49.7	Very low	134 Å²	134	80.8 Å²	80.8	63%	0.626	40%	0.402	S	S	*	.	H	α-helix	trans	-61.4	-43.2	175.5	-76.5	-176.5	162.7	0	0	111.7	E267 K274 W275	E267-E271 PolarHBondContact O-N 3.25Å; E271-K274 PolarHBondContact O-N 2.95Å; E271-W275 WeakPolarHBondContact O-CB 3.05Å; E271-W275 PolarHBondContact O-N 3.17Å
272	R	51	Low	50.4	Low	97 Å²	97	84.3 Å²	84.3	37%	0.366	42%	0.424	S	S	.	.	H	α-helix	trans	-63.2	-41	175.1	-74	169.9	176.8	-163.4	-3.8	112.4	K268 Q269 W275 F276 S298	K268-R272 WeakPolarHBondContact O-CB 3.28Å; K268-R272 WeakPolarHBondContact O-CD 2.86Å; K268-R272 WeakPolarHBondContact O-CG 3.28Å; K268-R272 PolarHBondContact O-N 2.91Å; K268-R272 VanDerWaalsContact O-N 3.08Å; Q269-R272 PolarHBondContact O-N 3.49Å; R272-W275 PolarHBondContact O-N 3.49Å; R272-F276 VanDerWaalsContact O-CB 3.26Å; R272-F276 WeakPolarHBondContact O-CB 3.48Å; R272-F276 PolarHBondContact O-N 2.96Å; R272-S298 VanDerWaalsContact NH1-CB 3.3Å; R272-S298 PolarHBondContact NH1-OG 2.92Å
273	L	50.3	Low	50.5	Low	40 Å²	40	79.4 Å²	79.4	21%	0.209	40%	0.402	C	S	.	.	H	α-helix	trans	-67.2	-38.5	176.5	-170	78.5	0	0	0	111.8	L257 L261 Q269 L270 N277	L257-L273 HydrophobicContact CB-CD2 3.98Å; L257-L273 HydrophobicContact CD2-CD1 3.99Å; L257-L273 HydrophobicContact CD2-CD2 3.67Å; L257-L273 HydrophobicContact CD2-CG 4.5Å; L257-L273 HydrophobicContact CG-CD2 4.39Å; L261-L273 HydrophobicContact CD1-CD2 4.03Å; Q269-L273 VanDerWaalsContact O-CB 3.26Å; Q269-L273 WeakPolarHBondContact O-CB 3.13Å; Q269-L273 PolarHBondContact O-N 2.95Å; L270-L273 PolarHBondContact O-N 3.11Å; L273-N277 WeakPolarHBondContact O-CB 3.39Å; L273-N277 PolarHBondContact O-N 3.3Å; L273-N277 PolarHBondContact O-ND2 3.08Å; L273-N277 VanDerWaalsContact O-ND2 3.17Å
274	K	57.9	Low	51.1	Low	105 Å²	105	73.6 Å²	73.6	46%	0.457	38%	0.384	S	S	.	.	H	α-helix	trans	-63.2	-51.4	172.9	-77.5	176	-179.4	172.8	0	110.7	L270 E271 F276 N277 E278	L270-K274 HydrophobicContact CG-CD 4.48Å; L270-K274 WeakPolarHBondContact O-CB 2.98Å; L270-K274 WeakPolarHBondContact O-CG 2.76Å; L270-K274 PolarHBondContact O-N 3.34Å; E271-K274 PolarHBondContact O-N 2.95Å; K274-F276 VanDerWaalsContact C-N 3.31Å; K274-F276 PolarHBondContact O-N 3.36Å; K274-N277 PolarHBondContact O-N 2.98Å; K274-E278 WeakPolarHBondContact O-CB 3.16Å; K274-E278 WeakPolarHBondContact O-CG 3.31Å; K274-E278 PolarHBondContact O-N 2.99Å
275	W	61.7	Low	51.5	Low	111 Å²	111	73.5 Å²	73.5	42%	0.42	38%	0.383	S	S	.	.	H	α-helix	trans	-55.8	-47.4	176.1	-176.1	89.5	0	0	0	110.9	E271 R272 N277 E278 H279 L283 F291	E271-W275 WeakPolarHBondContact O-CB 3.05Å; E271-W275 PolarHBondContact O-N 3.17Å; R272-W275 PolarHBondContact O-N 3.49Å; W275-N277 PolarHBondContact O-N 2.94Å; W275-E278 PolarHBondContact O-N 3.43Å; W275-H279 AromaticContact CD1-CE1 3.38Å; W275-H279 AromaticContact CD1-ND1 3.58Å; W275-H279 AromaticContact CD2-ND1 3.83Å; W275-H279 AromaticContact CE2-CE1 3.92Å; W275-H279 AromaticContact CE2-CG 3.84Å; W275-H279 AromaticContact CE2-ND1 3.71Å; W275-H279 AromaticContact CG-ND1 3.76Å; W275-H279 HydrophobicContact CH2-CB 4.45Å; W275-H279 HydrophobicContact CZ2-CB 4.39Å; W275-H279 AromaticContact NE1-CE1 3.3Å; W275-H279 PolarHBondContact NE1-CE1 3.21Å; W275-H279 VanDerWaalsContact NE1-CE1 3.3Å; W275-H279 AromaticContact NE1-CG 4Å; W275-H279 AromaticContact NE1-ND1 3.54Å; W275-H279 AromaticContact NE1-NE2 3.6Å; W275-H279 WeakPolarHBondContact O-CB 3.41Å; W275-H279 PolarHBondContact O-N 3.39Å; W275-H279 PolarHBondContact O-ND1 3.12Å; W275-L283 HydrophobicContact CH2-CD2 4.03Å; W275-L283 HydrophobicContact CZ3-CD1 4.49Å; W275-F291 HydrophobicContact CE3-CD2 4.2Å; W275-F291 AromaticContact CE3-CE2 4Å; W275-F291 HydrophobicContact CE3-CE2 4Å; W275-F291 AromaticContact CZ3-CD2 3.66Å; W275-F291 HydrophobicContact CZ3-CD2 3.66Å; W275-F291 AromaticContact CZ3-CE2 3.93Å; W275-F291 HydrophobicContact CZ3-CE2 3.93Å
276	F	49.6	Very low	52.3	Low	16 Å²	16	74.4 Å²	74.4	7%	0.07	38%	0.379	C	S	.	.	H	α-helix	trans	-59.7	-47.6	177.6	-178.3	-111.4	0	0	0	112.2	R272 K274 E278 H279 L280 L283 L288 F291	R272-F276 VanDerWaalsContact O-CB 3.26Å; R272-F276 WeakPolarHBondContact O-CB 3.48Å; R272-F276 PolarHBondContact O-N 2.96Å; K274-F276 VanDerWaalsContact C-N 3.31Å; K274-F276 PolarHBondContact O-N 3.36Å; F276-E278 VanDerWaalsContact C-N 3.31Å; F276-E278 PolarHBondContact O-N 3.41Å; F276-H279 PolarHBondContact O-N 2.85Å; F276-L280 HydrophobicContact CD1-CD1 4.14Å; F276-L280 HydrophobicContact CD2-CD1 4.22Å; F276-L280 HydrophobicContact CE1-CD1 3.48Å; F276-L280 VanDerWaalsContact CE1-CD1 3.48Å; F276-L280 HydrophobicContact CE2-CD1 3.58Å; F276-L280 HydrophobicContact CZ-CD1 3.18Å; F276-L280 WeakPolarHBondContact O-CA 3.43Å; F276-L280 VanDerWaalsContact O-CB 3.29Å; F276-L280 WeakPolarHBondContact O-CB 3.47Å; F276-L280 PolarHBondContact O-N 2.9Å; F276-L283 HydrophobicContact CD2-CD1 4.3Å; F276-L283 HydrophobicContact CE2-CD1 4.44Å; F276-L288 HydrophobicContact CE2-CD2 3.86Å; F276-L288 HydrophobicContact CZ-CD2 4.37Å; F276-F291 HydrophobicContact CB-CE1 4.19Å; F276-F291 HydrophobicContact CB-CE2 4.16Å; F276-F291 HydrophobicContact CB-CZ 3.59Å; F276-F291 HydrophobicContact CD1-CE1 4.4Å; F276-F291 AromaticContact CD2-CD1 3.48Å; F276-F291 HydrophobicContact CD2-CD1 3.48Å; F276-F291 VanDerWaalsContact CD2-CD1 3.48Å; F276-F291 HydrophobicContact CD2-CD2 4.35Å; F276-F291 AromaticContact CD2-CE1 3Å; F276-F291 HydrophobicContact CD2-CE1 3Å; F276-F291 AromaticContact CD2-CE2 3.98Å; F276-F291 HydrophobicContact CD2-CE2 3.98Å; F276-F291 HydrophobicContact CD2-CG 4.12Å; F276-F291 AromaticContact CD2-CZ 3.28Å; F276-F291 HydrophobicContact CD2-CZ 3.28Å; F276-F291 AromaticContact CE2-CD1 3.43Å; F276-F291 HydrophobicContact CE2-CD1 3.43Å; F276-F291 VanDerWaalsContact CE2-CD1 3.43Å; F276-F291 AromaticContact CE2-CE1 3.22Å; F276-F291 HydrophobicContact CE2-CE1 3.22Å; F276-F291 HydrophobicContact CE2-CG 4.34Å; F276-F291 HydrophobicContact CE2-CZ 4.01Å; F276-F291 AromaticContact CG-CE1 3.64Å; F276-F291 HydrophobicContact CG-CE1 3.64Å; F276-F291 HydrophobicContact CG-CE2 4.43Å; F276-F291 AromaticContact CG-CZ 3.58Å; F276-F291 HydrophobicContact CG-CZ 3.58Å; F276-F291 HydrophobicContact CZ-CD1 4.44Å; F276-F291 HydrophobicContact CZ-CE1 4.02Å
277	N	51.7	Low	52.7	Low	54 Å²	54	74.7 Å²	74.7	29%	0.289	38%	0.379	S	S	.	.	H	α-helix	trans	-64.1	-34.8	178	-81.4	-39.5	0	0	0	113.2	L273 K274 W275	L273-N277 WeakPolarHBondContact O-CB 3.39Å; L273-N277 PolarHBondContact O-N 3.3Å; L273-N277 PolarHBondContact O-ND2 3.08Å; L273-N277 VanDerWaalsContact O-ND2 3.17Å; K274-N277 PolarHBondContact O-N 2.98Å; W275-N277 PolarHBondContact O-N 2.94Å
278	E	58.1	Low	52.3	Low	138 Å²	138	72.5 Å²	72.5	65%	0.645	37%	0.37	S	S	*	.	H	α-helix	trans	-70.3	-36.8	176.7	-74.9	173.5	-179.7	0	0	112.1	K274 W275 F276 P281	K274-E278 WeakPolarHBondContact O-CB 3.16Å; K274-E278 WeakPolarHBondContact O-CG 3.31Å; K274-E278 PolarHBondContact O-N 2.99Å; W275-E278 PolarHBondContact O-N 3.43Å; F276-E278 VanDerWaalsContact C-N 3.31Å; F276-E278 PolarHBondContact O-N 3.41Å; E278-P281 WeakPolarHBondContact O-CD 3.2Å
279	H	58.8	Low	52.2	Low	62 Å²	62	70.5 Å²	70.5	29%	0.287	36%	0.363	S	S	.	.	H	α-helix	trans	-99.1	-14.1	-173.8	-61.4	74.4	0	0	0	113.4	W275 F276 P281 T282 L283	W275-H279 AromaticContact CD1-CE1 3.38Å; W275-H279 AromaticContact CD1-ND1 3.58Å; W275-H279 AromaticContact CD2-ND1 3.83Å; W275-H279 AromaticContact CE2-CE1 3.92Å; W275-H279 AromaticContact CE2-CG 3.84Å; W275-H279 AromaticContact CE2-ND1 3.71Å; W275-H279 AromaticContact CG-ND1 3.76Å; W275-H279 HydrophobicContact CH2-CB 4.45Å; W275-H279 HydrophobicContact CZ2-CB 4.39Å; W275-H279 AromaticContact NE1-CE1 3.3Å; W275-H279 PolarHBondContact NE1-CE1 3.21Å; W275-H279 VanDerWaalsContact NE1-CE1 3.3Å; W275-H279 AromaticContact NE1-CG 4Å; W275-H279 AromaticContact NE1-ND1 3.54Å; W275-H279 AromaticContact NE1-NE2 3.6Å; W275-H279 WeakPolarHBondContact O-CB 3.41Å; W275-H279 PolarHBondContact O-N 3.39Å; W275-H279 PolarHBondContact O-ND1 3.12Å; F276-H279 PolarHBondContact O-N 2.85Å; H279-P281 VanDerWaalsContact C-N 3.25Å; H279-P281 WeakPolarHBondContact O-CD 3.32Å; H279-T282 PolarHBondContact O-N 3.2Å; H279-T282 PolarHBondContact O-OG1 2.88Å; H279-L283 HydrophobicContact CB-CD1 4.26Å; H279-L283 HydrophobicContact CB-CD2 4.36Å; H279-L283 HydrophobicContact CB-CG 4.15Å; H279-L283 VanDerWaalsContact O-CG 3.29Å; H279-L283 WeakPolarHBondContact O-CG 3.33Å; H279-L283 PolarHBondContact O-N 3.36Å
280	L	50.3	Low	52.8	Low	18 Å²	18	74.6 Å²	74.6	9%	0.094	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.7	-37.9	176	-159.7	79.1	0	0	0	114.9	R246 C249 F276 T282 L288	R246-L280 HydrophobicContact CG-CD2 3.83Å; R246-L280 HydrophobicContact CG-CG 4.4Å; R246-L280 PolarHBondContact NH2-O 2.99Å; C249-L280 HydrophobicContact CB-CD2 4.21Å; F276-L280 HydrophobicContact CD1-CD1 4.14Å; F276-L280 HydrophobicContact CD2-CD1 4.22Å; F276-L280 HydrophobicContact CE1-CD1 3.48Å; F276-L280 VanDerWaalsContact CE1-CD1 3.48Å; F276-L280 HydrophobicContact CE2-CD1 3.58Å; F276-L280 HydrophobicContact CZ-CD1 3.18Å; F276-L280 WeakPolarHBondContact O-CA 3.43Å; F276-L280 VanDerWaalsContact O-CB 3.29Å; F276-L280 WeakPolarHBondContact O-CB 3.47Å; F276-L280 PolarHBondContact O-N 2.9Å; L280-T282 VanDerWaalsContact C-N 3.29Å; L280-T282 PolarHBondContact O-N 2.78Å; L280-L288 HydrophobicContact CD1-CD2 4.23Å
281	P	43.9	Very low	52.7	Low	85 Å²	85	75.4 Å²	75.4	55%	0.552	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-28.2	177.4	-18.4	32.7	0	0	0	113.5	R246 E278 H279	R246-P281 PolarHBondContact NH2-O 3.4Å; E278-P281 WeakPolarHBondContact O-CD 3.2Å; H279-P281 VanDerWaalsContact C-N 3.25Å; H279-P281 WeakPolarHBondContact O-CD 3.32Å
282	T	56.9	Low	52.2	Low	104 Å²	104	71.5 Å²	71.5	64%	0.638	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-17.6	-170.4	54.4	0	0	0	0	114.2	H279 L280 S284	H279-T282 PolarHBondContact O-N 3.2Å; H279-T282 PolarHBondContact O-OG1 2.88Å; L280-T282 VanDerWaalsContact C-N 3.29Å; L280-T282 PolarHBondContact O-N 2.78Å; T282-S284 PolarHBondContact O-N 3.39Å
283	L	47.3	Very low	52.6	Low	20 Å²	20	72.8 Å²	72.8	11%	0.105	38%	0.376	C	S	.	.			trans	-67.4	124.8	-179.7	-64.8	165	0	0	0	110.7	W275 F276 H279 E287 L288	W275-L283 HydrophobicContact CH2-CD2 4.03Å; W275-L283 HydrophobicContact CZ3-CD1 4.49Å; F276-L283 HydrophobicContact CD2-CD1 4.3Å; F276-L283 HydrophobicContact CE2-CD1 4.44Å; H279-L283 HydrophobicContact CB-CD1 4.26Å; H279-L283 HydrophobicContact CB-CD2 4.36Å; H279-L283 HydrophobicContact CB-CG 4.15Å; H279-L283 VanDerWaalsContact O-CG 3.29Å; H279-L283 WeakPolarHBondContact O-CG 3.33Å; H279-L283 PolarHBondContact O-N 3.36Å; L283-E287 WeakPolarHBondContact CA-OE2 3.28Å; L283-E287 HydrophobicContact CB-CB 4.12Å; L283-E287 HydrophobicContact CD2-CB 3.56Å; L283-E287 HydrophobicContact CD2-CG 4.41Å; L283-E287 HydrophobicContact CG-CB 4.42Å; L283-L288 HydrophobicContact CB-CD2 4.18Å; L283-L288 HydrophobicContact CB-CG 3.89Å; L283-L288 HydrophobicContact CD1-CD2 3.91Å; L283-L288 HydrophobicContact CD1-CG 4.47Å
284	S	54	Low	52.6	Low	57 Å²	57	73.4 Å²	73.4	40%	0.399	38%	0.384	S	S	.	.			trans	-65.9	164.5	164.4	63.6	0	0	0	0	111	T282 C286 E287 L288	T282-S284 PolarHBondContact O-N 3.39Å; S284-C286 PolarHBondContact O-N 2.85Å; S284-E287 WeakPolarHBondContact CB-OE2 3.38Å; S284-E287 PolarHBondContact N-OE2 3.07Å; S284-E287 PolarHBondContact O-N 3.07Å; S284-E287 VanDerWaalsContact O-N 3.11Å; S284-E287 VanDerWaalsContact OG-CG 3.28Å; S284-E287 WeakPolarHBondContact OG-CG 3.4Å; S284-E287 PolarHBondContact OG-N 2.71Å; S284-E287 PolarHBondContact OG-OE2 3.3Å; S284-L288 PolarHBondContact O-N 2.69Å
285	A	46.1	Very low	51.9	Low	61 Å²	61	70.3 Å²	70.3	50%	0.504	37%	0.372	S	S	.	.	H	α-helix	trans	-56.1	-40.5	177.4	0	0	0	0	0	112.1	L288 E289	A285-L288 PolarHBondContact O-N 3.17Å; A285-E289 WeakPolarHBondContact O-CB 3.34Å; A285-E289 PolarHBondContact O-N 3.36Å
286	C	56.5	Low	51	Low	82 Å²	82	70.1 Å²	70.1	55%	0.554	38%	0.376	S	S	*	.	H	α-helix	trans	-64.4	-41.1	175.5	-61.9	0	0	0	0	112.4	S284 L288 E289 E290	S284-C286 PolarHBondContact O-N 2.85Å; C286-L288 VanDerWaalsContact C-N 3.32Å; C286-L288 PolarHBondContact O-N 3.41Å; C286-E289 PolarHBondContact O-N 2.89Å; C286-E290 PolarHBondContact O-N 3.34Å
287	E	52.3	Low	51.6	Low	88 Å²	88	76 Å²	76	41%	0.411	40%	0.402	S	S	.	.	H	α-helix	trans	-70.8	-30.2	178.7	-68	164.8	129.4	0	0	112.2	L283 S284 F291	L283-E287 WeakPolarHBondContact CA-OE2 3.28Å; L283-E287 HydrophobicContact CB-CB 4.12Å; L283-E287 HydrophobicContact CD2-CB 3.56Å; L283-E287 HydrophobicContact CD2-CG 4.41Å; L283-E287 HydrophobicContact CG-CB 4.42Å; S284-E287 WeakPolarHBondContact CB-OE2 3.38Å; S284-E287 PolarHBondContact N-OE2 3.07Å; S284-E287 PolarHBondContact O-N 3.07Å; S284-E287 VanDerWaalsContact O-N 3.11Å; S284-E287 VanDerWaalsContact OG-CG 3.28Å; S284-E287 WeakPolarHBondContact OG-CG 3.4Å; S284-E287 PolarHBondContact OG-N 2.71Å; S284-E287 PolarHBondContact OG-OE2 3.3Å; E287-F291 VanDerWaalsContact O-CB 3.22Å; E287-F291 WeakPolarHBondContact O-CB 3.33Å; E287-F291 PolarHBondContact O-N 2.65Å; E287-F291 VanDerWaalsContact O-N 3.08Å
288	L	48	Very low	51.2	Low	32 Å²	32	74.1 Å²	74.1	17%	0.168	39%	0.393	C	S	.	.	H	α-helix	trans	-66.7	-44.1	169.4	-77.7	167.8	0	0	0	111	F276 L280 L283 S284 A285 C286 F291 F292	F276-L288 HydrophobicContact CE2-CD2 3.86Å; F276-L288 HydrophobicContact CZ-CD2 4.37Å; L280-L288 HydrophobicContact CD1-CD2 4.23Å; L283-L288 HydrophobicContact CB-CD2 4.18Å; L283-L288 HydrophobicContact CB-CG 3.89Å; L283-L288 HydrophobicContact CD1-CD2 3.91Å; L283-L288 HydrophobicContact CD1-CG 4.47Å; S284-L288 PolarHBondContact O-N 2.69Å; A285-L288 PolarHBondContact O-N 3.17Å; C286-L288 VanDerWaalsContact C-N 3.32Å; C286-L288 PolarHBondContact O-N 3.41Å; L288-F291 WeakPolarHBondContact O-CB 3.45Å; L288-F291 PolarHBondContact O-N 3.34Å; L288-F292 HydrophobicContact CB-CD2 4.39Å; L288-F292 HydrophobicContact CB-CE2 4.2Å; L288-F292 HydrophobicContact CD2-CE2 4.33Å; L288-F292 WeakPolarHBondContact O-CD2 3.46Å; L288-F292 WeakPolarHBondContact O-CG 3.23Å; L288-F292 PolarHBondContact O-N 2.83Å
289	E	49.2	Very low	50.5	Low	120 Å²	120	70.9 Å²	70.9	56%	0.561	38%	0.38	S	S	*	.	H	α-helix	trans	-61.5	-49.6	178	-167.6	173.2	-164.2	0	0	111.8	A285 C286 F291 F292 E293	A285-E289 WeakPolarHBondContact O-CB 3.34Å; A285-E289 PolarHBondContact O-N 3.36Å; C286-E289 PolarHBondContact O-N 2.89Å; E289-F291 VanDerWaalsContact C-N 3.29Å; E289-F291 PolarHBondContact O-N 3.08Å; E289-F292 PolarHBondContact O-N 2.89Å; E289-F292 VanDerWaalsContact O-N 3.17Å; E289-E293 PolarHBondContact O-N 3.15Å
290	E	56.1	Low	50.3	Low	135 Å²	135	74.4 Å²	74.4	63%	0.631	39%	0.394	S	S	*	.	H	α-helix	trans	-59	-39.8	174.2	-74.7	-176.1	178.2	0	0	112.2	C286 E293 S294	C286-E290 PolarHBondContact O-N 3.34Å; E290-E293 PolarHBondContact O-N 3.01Å; E290-S294 WeakPolarHBondContact O-CB 3.27Å; E290-S294 PolarHBondContact O-N 3.4Å
291	F	48.4	Very low	50.4	Low	24 Å²	24	78.6 Å²	78.6	11%	0.105	41%	0.414	C	S	.	.	H	α-helix	trans	-63.8	-46	176.1	175.9	-99.2	0	0	0	111.6	W275 F276 E287 L288 E289 S294 I295	W275-F291 HydrophobicContact CE3-CD2 4.2Å; W275-F291 AromaticContact CE3-CE2 4Å; W275-F291 HydrophobicContact CE3-CE2 4Å; W275-F291 AromaticContact CZ3-CD2 3.66Å; W275-F291 HydrophobicContact CZ3-CD2 3.66Å; W275-F291 AromaticContact CZ3-CE2 3.93Å; W275-F291 HydrophobicContact CZ3-CE2 3.93Å; F276-F291 HydrophobicContact CB-CE1 4.19Å; F276-F291 HydrophobicContact CB-CE2 4.16Å; F276-F291 HydrophobicContact CB-CZ 3.59Å; F276-F291 HydrophobicContact CD1-CE1 4.4Å; F276-F291 AromaticContact CD2-CD1 3.48Å; F276-F291 HydrophobicContact CD2-CD1 3.48Å; F276-F291 VanDerWaalsContact CD2-CD1 3.48Å; F276-F291 HydrophobicContact CD2-CD2 4.35Å; F276-F291 AromaticContact CD2-CE1 3Å; F276-F291 HydrophobicContact CD2-CE1 3Å; F276-F291 AromaticContact CD2-CE2 3.98Å; F276-F291 HydrophobicContact CD2-CE2 3.98Å; F276-F291 HydrophobicContact CD2-CG 4.12Å; F276-F291 AromaticContact CD2-CZ 3.28Å; F276-F291 HydrophobicContact CD2-CZ 3.28Å; F276-F291 AromaticContact CE2-CD1 3.43Å; F276-F291 HydrophobicContact CE2-CD1 3.43Å; F276-F291 VanDerWaalsContact CE2-CD1 3.43Å; F276-F291 AromaticContact CE2-CE1 3.22Å; F276-F291 HydrophobicContact CE2-CE1 3.22Å; F276-F291 HydrophobicContact CE2-CG 4.34Å; F276-F291 HydrophobicContact CE2-CZ 4.01Å; F276-F291 AromaticContact CG-CE1 3.64Å; F276-F291 HydrophobicContact CG-CE1 3.64Å; F276-F291 HydrophobicContact CG-CE2 4.43Å; F276-F291 AromaticContact CG-CZ 3.58Å; F276-F291 HydrophobicContact CG-CZ 3.58Å; F276-F291 HydrophobicContact CZ-CD1 4.44Å; F276-F291 HydrophobicContact CZ-CE1 4.02Å; E287-F291 VanDerWaalsContact O-CB 3.22Å; E287-F291 WeakPolarHBondContact O-CB 3.33Å; E287-F291 PolarHBondContact O-N 2.65Å; E287-F291 VanDerWaalsContact O-N 3.08Å; L288-F291 WeakPolarHBondContact O-CB 3.45Å; L288-F291 PolarHBondContact O-N 3.34Å; E289-F291 VanDerWaalsContact C-N 3.29Å; E289-F291 PolarHBondContact O-N 3.08Å; F291-S294 WeakPolarHBondContact O-CB 3.29Å; F291-S294 PolarHBondContact O-N 3.12Å; F291-S294 PolarHBondContact O-OG 2.93Å; F291-I295 HydrophobicContact CD1-CD1 3.91Å; F291-I295 HydrophobicContact CD1-CG1 4.48Å; F291-I295 HydrophobicContact CE1-CD1 3.15Å; F291-I295 HydrophobicContact CE1-CG1 4.04Å; F291-I295 HydrophobicContact CE2-CD1 4.25Å; F291-I295 HydrophobicContact CE2-CG1 4.48Å; F291-I295 HydrophobicContact CZ-CD1 3.37Å; F291-I295 HydrophobicContact CZ-CG1 4.05Å; F291-I295 PolarHBondContact O-N 2.76Å
292	F	47.8	Very low	50.2	Low	53 Å²	53	77.4 Å²	77.4	23%	0.232	40%	0.402	C	S	.	.	H	α-helix	trans	-63.5	-41.5	177.4	-76.3	-59.1	0	0	0	112	F230 L288 E289 S294 I295 Q296	F230-F292 AromaticContact CE1-CD1 3.99Å; F230-F292 HydrophobicContact CE1-CD1 3.99Å; F230-F292 HydrophobicContact CE1-CE1 4.16Å; L288-F292 HydrophobicContact CB-CD2 4.39Å; L288-F292 HydrophobicContact CB-CE2 4.2Å; L288-F292 HydrophobicContact CD2-CE2 4.33Å; L288-F292 WeakPolarHBondContact O-CD2 3.46Å; L288-F292 WeakPolarHBondContact O-CG 3.23Å; L288-F292 PolarHBondContact O-N 2.83Å; E289-F292 PolarHBondContact O-N 2.89Å; E289-F292 VanDerWaalsContact O-N 3.17Å; F292-S294 VanDerWaalsContact C-N 3.3Å; F292-S294 PolarHBondContact O-N 3.05Å; F292-I295 PolarHBondContact O-N 3.43Å; F292-Q296 PolarHBondContact O-N 3.19Å
293	E	58.8	Low	49.5	Very low	123 Å²	123	79.1 Å²	79.1	58%	0.575	40%	0.401	S	S	*	.	H	α-helix	trans	-60.1	-40.6	172.2	-74.2	-170.5	161.7	0	0	111.6	E289 E290 I295 Q296 K297	E289-E293 PolarHBondContact O-N 3.15Å; E290-E293 PolarHBondContact O-N 3.01Å; E293-I295 VanDerWaalsContact C-N 3.35Å; E293-I295 PolarHBondContact O-N 3.35Å; E293-Q296 PolarHBondContact O-N 2.83Å; E293-K297 WeakPolarHBondContact O-CB 3.46Å; E293-K297 PolarHBondContact O-N 3.05Å
294	S	52.1	Low	50	Low	54 Å²	54	83.7 Å²	83.7	38%	0.378	42%	0.422	S	S	.	.	H	α-helix	trans	-66.2	-35.7	177.4	92.8	0	0	0	0	112.9	E290 F291 F292 S298	E290-S294 WeakPolarHBondContact O-CB 3.27Å; E290-S294 PolarHBondContact O-N 3.4Å; F291-S294 WeakPolarHBondContact O-CB 3.29Å; F291-S294 PolarHBondContact O-N 3.12Å; F291-S294 PolarHBondContact O-OG 2.93Å; F292-S294 VanDerWaalsContact C-N 3.3Å; F292-S294 PolarHBondContact O-N 3.05Å; S294-S298 WeakPolarHBondContact O-CB 3.45Å; S294-S298 PolarHBondContact O-N 3.28Å; S294-S298 PolarHBondContact O-OG 2.97Å
295	I	42.6	Very low	49.4	Very low	39 Å²	39	87 Å²	87	20%	0.2	43%	0.431	C	S	.	.	H	α-helix	trans	-67.6	-48.1	174.1	-73.4	-175.7	0	0	0	109.9	F291 F292 E293 K297 S298 N299	F291-I295 HydrophobicContact CD1-CD1 3.91Å; F291-I295 HydrophobicContact CD1-CG1 4.48Å; F291-I295 HydrophobicContact CE1-CD1 3.15Å; F291-I295 HydrophobicContact CE1-CG1 4.04Å; F291-I295 HydrophobicContact CE2-CD1 4.25Å; F291-I295 HydrophobicContact CE2-CG1 4.48Å; F291-I295 HydrophobicContact CZ-CD1 3.37Å; F291-I295 HydrophobicContact CZ-CG1 4.05Å; F291-I295 PolarHBondContact O-N 2.76Å; F292-I295 PolarHBondContact O-N 3.43Å; E293-I295 VanDerWaalsContact C-N 3.35Å; E293-I295 PolarHBondContact O-N 3.35Å; I295-K297 VanDerWaalsContact C-N 3.29Å; I295-K297 PolarHBondContact O-N 2.93Å; I295-S298 PolarHBondContact O-N 2.8Å; I295-S298 VanDerWaalsContact O-N 3.16Å; I295-N299 WeakPolarHBondContact O-CB 3.27Å; I295-N299 PolarHBondContact O-N 3.45Å
296	Q	41.9	Very low	48.9	Very low	108 Å²	108	90.2 Å²	90.2	51%	0.505	43%	0.434	S	S	.	.	H	α-helix	trans	-58.3	-43.5	178.5	-78.2	-174.4	-10.9	0	0	111.4	F292 E293 N299 K300	F292-Q296 PolarHBondContact O-N 3.19Å; E293-Q296 PolarHBondContact O-N 2.83Å; Q296-N299 PolarHBondContact O-N 2.91Å; Q296-K300 PolarHBondContact O-N 2.82Å
297	K	62.5	Low	48.2	Very low	139 Å²	139	89.2 Å²	89.2	60%	0.604	43%	0.428	S	S	*	.	H	α-helix	trans	-62	-45.9	175.1	-171.6	179	176.9	-176.1	0	112.1	E293 I295 N299 K300 E301	E293-K297 WeakPolarHBondContact O-CB 3.46Å; E293-K297 PolarHBondContact O-N 3.05Å; I295-K297 VanDerWaalsContact C-N 3.29Å; I295-K297 PolarHBondContact O-N 2.93Å; K297-N299 PolarHBondContact O-N 3.49Å; K297-K300 WeakPolarHBondContact O-CB 3.34Å; K297-K300 PolarHBondContact O-N 3.38Å; K297-E301 WeakPolarHBondContact CE-OE1 3.46Å; K297-E301 WeakPolarHBondContact O-CG 3.47Å; K297-E301 PolarHBondContact O-N 3.26Å
298	S	44.5	Very low	47.9	Very low	15 Å²	15	88 Å²	88	11%	0.105	43%	0.429	C	S	.	.	H	α-helix	trans	-64.1	-39.2	178	-64.1	0	0	0	0	112.7	R272 S294 I295 K300 E301 L302	R272-S298 VanDerWaalsContact NH1-CB 3.3Å; R272-S298 PolarHBondContact NH1-OG 2.92Å; S294-S298 WeakPolarHBondContact O-CB 3.45Å; S294-S298 PolarHBondContact O-N 3.28Å; S294-S298 PolarHBondContact O-OG 2.97Å; I295-S298 PolarHBondContact O-N 2.8Å; I295-S298 VanDerWaalsContact O-N 3.16Å; S298-K300 VanDerWaalsContact C-N 3.32Å; S298-E301 PolarHBondContact O-N 3.45Å; S298-L302 WeakPolarHBondContact O-CB 3.4Å; S298-L302 PolarHBondContact O-N 3.36Å
299	N	43.6	Very low	47.5	Very low	69 Å²	69	90.6 Å²	90.6	37%	0.369	44%	0.442	S	S	.	.	H	α-helix	trans	-66	-36.9	176.9	-79.1	-8.9	0	0	0	111.3	I295 Q296 K297 K303	I295-N299 WeakPolarHBondContact O-CB 3.27Å; I295-N299 PolarHBondContact O-N 3.45Å; Q296-N299 PolarHBondContact O-N 2.91Å; K297-N299 PolarHBondContact O-N 3.49Å; N299-K303 VanDerWaalsContact O-CB 3.27Å; N299-K303 WeakPolarHBondContact O-CB 3.36Å; N299-K303 PolarHBondContact O-N 3.45Å
300	K	54.2	Low	46.7	Very low	136 Å²	136	90.5 Å²	90.5	59%	0.591	44%	0.44	S	S	*	.	H	α-helix	trans	-63.7	-45.9	174.2	-170.2	-179.6	176.4	-176.9	0	111.7	Q296 K297 S298 K303 E304	Q296-K300 PolarHBondContact O-N 2.82Å; K297-K300 WeakPolarHBondContact O-CB 3.34Å; K297-K300 PolarHBondContact O-N 3.38Å; S298-K300 VanDerWaalsContact C-N 3.32Å; K300-K303 PolarHBondContact O-N 3.25Å; K300-E304 WeakPolarHBondContact CE-OE1 3.43Å; K300-E304 WeakPolarHBondContact O-CG 3.47Å; K300-E304 PolarHBondContact O-N 3.38Å
301	E	51.1	Low	46.1	Very low	107 Å²	107	89.2 Å²	89.2	50%	0.5	44%	0.438	S	S	.	.	H	α-helix	trans	-61.9	-45.3	176.4	-70.5	171	-173.6	0	0	111.7	K297 S298 K303 E304 E305	K297-E301 WeakPolarHBondContact CE-OE1 3.46Å; K297-E301 WeakPolarHBondContact O-CG 3.47Å; K297-E301 PolarHBondContact O-N 3.26Å; S298-E301 PolarHBondContact O-N 3.45Å; E301-K303 VanDerWaalsContact C-N 3.33Å; E301-K303 PolarHBondContact O-N 2.85Å; E301-E304 PolarHBondContact O-N 2.87Å; E301-E305 PolarHBondContact O-N 2.85Å
302	L	40.1	Very low	45.7	Very low	60 Å²	60	93.4 Å²	93.4	31%	0.314	46%	0.458	S	S	.	.	H	α-helix	trans	-60.9	-39.7	175.1	-97	153.1	0	0	0	112.5	S298 E305 F306	S298-L302 WeakPolarHBondContact O-CB 3.4Å; S298-L302 PolarHBondContact O-N 3.36Å; L302-E305 PolarHBondContact O-N 3.21Å; L302-F306 HydrophobicContact CD2-CD2 4.39Å; L302-F306 HydrophobicContact CD2-CE2 4.45Å; L302-F306 WeakPolarHBondContact O-CB 3.28Å; L302-F306 PolarHBondContact O-N 3.32Å
303	K	43.1	Very low	45.1	Very low	139 Å²	139	99 Å²	99	60%	0.604	48%	0.478	S	S	*	.	H	α-helix	trans	-65.2	-40.5	178	-171.4	174.2	-177.3	172.5	0	111.9	N299 K300 E301 S307	N299-K303 VanDerWaalsContact O-CB 3.27Å; N299-K303 WeakPolarHBondContact O-CB 3.36Å; N299-K303 PolarHBondContact O-N 3.45Å; K300-K303 PolarHBondContact O-N 3.25Å; E301-K303 VanDerWaalsContact C-N 3.33Å; E301-K303 PolarHBondContact O-N 2.85Å; K303-S307 VanDerWaalsContact O-CB 3.31Å; K303-S307 WeakPolarHBondContact O-CB 3.34Å; K303-S307 PolarHBondContact O-N 2.96Å; K303-S307 PolarHBondContact O-OG 3.35Å
304	E	56.2	Low	43.8	Very low	117 Å²	117	94.6 Å²	94.6	55%	0.547	47%	0.465	S	S	.	.	H	α-helix	trans	-66.8	-43.4	176	-72.1	174	-171.6	0	0	111.4	K300 E301 S307 S308	K300-E304 WeakPolarHBondContact CE-OE1 3.43Å; K300-E304 WeakPolarHBondContact O-CG 3.47Å; K300-E304 PolarHBondContact O-N 3.38Å; E301-E304 PolarHBondContact O-N 2.87Å; E304-S307 PolarHBondContact O-N 3.46Å; E304-S308 PolarHBondContact O-N 2.85Å
305	E	42.7	Very low	43.4	Very low	125 Å²	125	97.6 Å²	97.6	58%	0.584	48%	0.477	S	S	*	.	H	α-helix	trans	-64.9	-45	177.6	-168.9	172.6	-166.7	0	0	112	E301 L302 S307 S308 L309	E301-E305 PolarHBondContact O-N 2.85Å; L302-E305 PolarHBondContact O-N 3.21Å; E305-S307 PolarHBondContact O-N 3.49Å; E305-S308 PolarHBondContact O-N 3.26Å; E305-L309 PolarHBondContact O-N 3.36Å
306	F	36.1	Very low	42.9	Very low	129 Å²	129	104.8 Å²	104.8	57%	0.566	50%	0.501	S	S	*	.	H	α-helix	trans	-61.5	-44.4	174.8	-105.9	-88	0	0	0	112	L302 S308 L309 F310	L302-F306 HydrophobicContact CD2-CD2 4.39Å; L302-F306 HydrophobicContact CD2-CE2 4.45Å; L302-F306 WeakPolarHBondContact O-CB 3.28Å; L302-F306 PolarHBondContact O-N 3.32Å; F306-S308 VanDerWaalsContact C-N 3.29Å; F306-S308 PolarHBondContact O-N 2.85Å; F306-L309 PolarHBondContact O-N 3.44Å; F306-F310 VanDerWaalsContact O-CB 3.29Å; F306-F310 WeakPolarHBondContact O-CB 3.46Å; F306-F310 PolarHBondContact O-N 2.96Å
307	S	40.3	Very low	42.3	Very low	62 Å²	62	102.5 Å²	102.5	43%	0.434	49%	0.492	S	S	.	.	H	α-helix	trans	-62.2	-36.8	178.7	-65.4	0	0	0	0	112.1	K303 E304 E305 N311	K303-S307 VanDerWaalsContact O-CB 3.31Å; K303-S307 WeakPolarHBondContact O-CB 3.34Å; K303-S307 PolarHBondContact O-N 2.96Å; K303-S307 PolarHBondContact O-OG 3.35Å; E304-S307 PolarHBondContact O-N 3.46Å; E305-S307 PolarHBondContact O-N 3.49Å; S307-N311 PolarHBondContact O-N 3.22Å; S307-N311 VanDerWaalsContact O-N 3.11Å; S307-N311 PolarHBondContact O-ND2 2.85Å
308	S	47.5	Very low	40.9	Very low	63 Å²	63	100.7 Å²	100.7	44%	0.441	49%	0.493	S	S	.	.	H	α-helix	trans	-66.1	-45.2	174.6	-179.8	0	0	0	0	112.6	E304 E305 F306 F310 Q312	E304-S308 PolarHBondContact O-N 2.85Å; E305-S308 PolarHBondContact O-N 3.26Å; F306-S308 VanDerWaalsContact C-N 3.29Å; F306-S308 PolarHBondContact O-N 2.85Å; S308-F310 VanDerWaalsContact C-N 3.3Å; S308-Q312 WeakPolarHBondContact O-CG 3.29Å; S308-Q312 PolarHBondContact O-N 3.43Å
309	L	38.2	Very low	40.5	Very low	85 Å²	85	105.9 Å²	105.9	45%	0.445	52%	0.519	S	S	.	.	H	α-helix	trans	-64.4	-38.4	177.2	-79	165.3	0	0	0	111.3	E305 F306 Q312 W313	E305-L309 PolarHBondContact O-N 3.36Å; F306-L309 PolarHBondContact O-N 3.44Å; L309-Q312 PolarHBondContact O-N 3.13Å; L309-W313 VanDerWaalsContact O-CD1 3.23Å; L309-W313 PolarHBondContact O-N 2.75Å
310	F	32.5	Very low	39.9	Very low	118 Å²	118	110 Å²	110	52%	0.518	53%	0.531	S	S	.	.	H	α-helix	trans	-63.4	-45.3	178.9	-159.5	-93.5	0	0	0	112.2	F306 S308 Q312 W313 G314	F306-F310 VanDerWaalsContact O-CB 3.29Å; F306-F310 WeakPolarHBondContact O-CB 3.46Å; F306-F310 PolarHBondContact O-N 2.96Å; S308-F310 VanDerWaalsContact C-N 3.3Å; F310-Q312 VanDerWaalsContact C-N 3.32Å; F310-Q312 PolarHBondContact O-N 3.22Å; F310-W313 PolarHBondContact O-N 3.27Å; F310-W313 VanDerWaalsContact O-N 3.16Å; F310-G314 PolarHBondContact O-N 2.75Å
311	N	43.8	Very low	38.8	Very low	108 Å²	108	108.3 Å²	108.3	58%	0.578	52%	0.524	S	S	*	.	H	α-helix	trans	-60.9	-40.5	175.3	-73.3	-22.3	0	0	0	112.1	S307 W313 G314 D315	S307-N311 PolarHBondContact O-N 3.22Å; S307-N311 VanDerWaalsContact O-N 3.11Å; S307-N311 PolarHBondContact O-ND2 2.85Å; N311-W313 VanDerWaalsContact C-N 3.29Å; N311-W313 PolarHBondContact O-N 3Å; N311-G314 PolarHBondContact O-N 3.31Å; N311-D315 PolarHBondContact O-N 3.44Å
312	Q	39.6	Very low	38.3	Very low	113 Å²	113	108.7 Å²	108.7	53%	0.528	53%	0.534	S	S	.	.	H	α-helix	trans	-65.3	-31.4	176.9	-71.6	178.7	8.4	0	0	113.2	S308 L309 F310 R316	S308-Q312 WeakPolarHBondContact O-CG 3.29Å; S308-Q312 PolarHBondContact O-N 3.43Å; L309-Q312 PolarHBondContact O-N 3.13Å; F310-Q312 VanDerWaalsContact C-N 3.32Å; F310-Q312 PolarHBondContact O-N 3.22Å; Q312-R316 WeakPolarHBondContact O-CG 3.44Å; Q312-R316 PolarHBondContact O-N 3.24Å
313	W	36.7	Very low	38.2	Very low	170 Å²	170	113 Å²	113	64%	0.644	56%	0.557	S	S	*	*	H	α-helix	trans	-76.8	-40.1	174.8	-84.5	59	0	0	0	111.9	L309 F310 N311 D315 R316 L317	L309-W313 VanDerWaalsContact O-CD1 3.23Å; L309-W313 PolarHBondContact O-N 2.75Å; F310-W313 PolarHBondContact O-N 3.27Å; F310-W313 VanDerWaalsContact O-N 3.16Å; N311-W313 VanDerWaalsContact C-N 3.29Å; N311-W313 PolarHBondContact O-N 3Å; W313-D315 PolarHBondContact O-N 2.76Å; W313-R316 PolarHBondContact O-N 2.92Å; W313-L317 PolarHBondContact O-N 3.46Å
314	G	30.9	Very low	38	Very low	30 Å²	30	111.7 Å²	111.7	31%	0.309	55%	0.554	S	S	.	*	H	α-helix	trans	-58.1	-46.9	175	0	0	0	0	0	112.7	F310 N311 R316 L317 V318	F310-G314 PolarHBondContact O-N 2.75Å; N311-G314 PolarHBondContact O-N 3.31Å; G314-R316 VanDerWaalsContact C-N 3.3Å; G314-R316 PolarHBondContact O-N 3.4Å; G314-L317 PolarHBondContact O-N 3.44Å; G314-V318 PolarHBondContact O-N 3.25Å
315	D	42.9	Very low	37.2	Very low	117 Å²	117	113 Å²	113	63%	0.626	56%	0.56	S	S	*	*	H	α-helix	trans	-61.6	-39.2	177.4	-70.2	-20.5	0	0	0	111.8	N311 W313 L317 D319	N311-D315 PolarHBondContact O-N 3.44Å; W313-D315 PolarHBondContact O-N 2.76Å; D315-L317 PolarHBondContact O-N 2.93Å; D315-D319 PolarHBondContact O-N 3.29Å
316	R	32.9	Very low	37.2	Very low	191 Å²	191	111.2 Å²	111.2	72%	0.721	55%	0.553	S	S	*	*	H	α-helix	trans	-68.9	-30.8	177.5	-79.1	179.6	166.8	-179.3	-2	113.7	Q312 W313 G314	Q312-R316 WeakPolarHBondContact O-CG 3.44Å; Q312-R316 PolarHBondContact O-N 3.24Å; W313-R316 PolarHBondContact O-N 2.92Å; G314-R316 VanDerWaalsContact C-N 3.3Å; G314-R316 PolarHBondContact O-N 3.4Å
317	L	28.8	Very low	37.2	Very low	59 Å²	59	110.6 Å²	110.6	31%	0.309	55%	0.552	S	S	.	*	H	α-helix	trans	-72.5	-41	177.3	-87.7	155.8	0	0	0	111.5	W313 G314 D315 D319 Y320 F321	W313-L317 PolarHBondContact O-N 3.46Å; G314-L317 PolarHBondContact O-N 3.44Å; D315-L317 PolarHBondContact O-N 2.93Å; L317-D319 VanDerWaalsContact C-N 3.31Å; L317-D319 PolarHBondContact O-N 2.74Å; L317-Y320 PolarHBondContact O-N 3.16Å; L317-F321 HydrophobicContact CD2-CD2 4.48Å; L317-F321 HydrophobicContact CD2-CE2 3.77Å; L317-F321 VanDerWaalsContact O-CD2 3.23Å; L317-F321 WeakPolarHBondContact O-CD2 3.29Å; L317-F321 PolarHBondContact O-N 3.21Å
318	V	32.8	Very low	37.1	Very low	102 Å²	102	111.8 Å²	111.8	62%	0.618	56%	0.558	S	S	*	*	H	α-helix	trans	-60	-40.9	178.5	173.6	0	0	0	0	111.7	G314 Y320 T322	G314-V318 PolarHBondContact O-N 3.25Å; V318-Y320 VanDerWaalsContact C-N 3.27Å; V318-Y320 PolarHBondContact O-N 3.38Å; V318-T322 PolarHBondContact O-OG1 2.96Å
319	D	37.6	Very low	36.6	Very low	124 Å²	124	113 Å²	113	66%	0.663	56%	0.558	S	S	*	*	H	α-helix	trans	-65.8	-27.8	176.2	-75.1	-18.3	0	0	0	112.9	D315 L317 T322	D315-D319 PolarHBondContact O-N 3.29Å; L317-D319 VanDerWaalsContact C-N 3.31Å; L317-D319 PolarHBondContact O-N 2.74Å; D319-T322 PolarHBondContact O-OG1 2.85Å; D319-T322 VanDerWaalsContact O-OG1 3.07Å
320	Y	30.3	Very low	36.6	Very low	154 Å²	154	112 Å²	112	60%	0.604	55%	0.554	S	S	*	*	H	α-helix	trans	-81.9	-32.1	-176.8	-154.6	-92.1	0	0	0	113.2	L317 V318	L317-Y320 PolarHBondContact O-N 3.16Å; V318-Y320 VanDerWaalsContact C-N 3.27Å; V318-Y320 PolarHBondContact O-N 3.38Å
321	F	32	Very low	37.1	Very low	102 Å²	102	112 Å²	112	45%	0.447	56%	0.559	S	S	.	*	H	α-helix	trans	-78.7	-19.2	-177.8	-82.9	-74.5	0	0	0	114.6	I205 L317 D323	I205-F321 HydrophobicContact CG2-CE1 3.55Å; I205-F321 HydrophobicContact CG2-CZ 3.72Å; L317-F321 HydrophobicContact CD2-CD2 4.48Å; L317-F321 HydrophobicContact CD2-CE2 3.77Å; L317-F321 VanDerWaalsContact O-CD2 3.23Å; L317-F321 WeakPolarHBondContact O-CD2 3.29Å; L317-F321 PolarHBondContact O-N 3.21Å; F321-D323 PolarHBondContact O-N 3.42Å
322	T	39.9	Very low	36.7	Very low	115 Å²	115	109.5 Å²	109.5	71%	0.706	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-12.9	177.5	16.9	0	0	0	0	114.7	V318 D319	V318-T322 PolarHBondContact O-OG1 2.96Å; D319-T322 PolarHBondContact O-OG1 2.85Å; D319-T322 VanDerWaalsContact O-OG1 3.07Å
323	D	38.5	Very low	36.6	Very low	151 Å²	151	110.6 Å²	110.6	81%	0.807	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	-3	-174.7	-86.9	-15.4	0	0	0	115.6	F321	F321-D323 PolarHBondContact O-N 3.42Å
324	M	38	Very low	37	Very low	110 Å²	110	108.6 Å²	108.6	54%	0.542	55%	0.547	S	S	.	.	S	Bend	trans	-111.2	131.9	-177.8	-78.8	-167.8	-178.9	0	0	114.6	I205 M326	I205-M324 HydrophobicContact CD1-CE 4.41Å; I205-M324 HydrophobicContact CD1-SD 3.72Å; M324-M326 PolarHBondContact O-N 2.9Å
325	Q	40.1	Very low	37.4	Very low	146 Å²	146	112 Å²	112	68%	0.682	56%	0.562	S	S	*	*			trans	-76.6	114.6	176.5	-63.8	-174.3	-9.3	0	0	111.5	P328	Q325-P328 WeakPolarHBondContact O-CD 3.47Å
326	M	41.2	Very low	37	Very low	87 Å²	87	110.5 Å²	110.5	43%	0.429	56%	0.557	S	S	.	*			trans	-78.5	-16.3	-172.1	-90.2	-80.7	-92.9	0	0	117	M324 I329 Y436	M324-M326 PolarHBondContact O-N 2.9Å; M326-I329 PolarHBondContact O-N 2.92Å; M326-Y436 WeakPolarHBondContact CE-OH 3.47Å
327	E	37.4	Very low	37.5	Very low	116 Å²	116	104.6 Å²	104.6	54%	0.542	54%	0.536	S	S	.	.	H	α-helix	trans	-59.7	-44.3	-173	-84.2	172.2	166.8	0	0	115.1	I329 L330 D331	E327-I329 VanDerWaalsContact C-N 3.29Å; E327-I329 PolarHBondContact O-N 3.45Å; E327-L330 PolarHBondContact O-N 3.3Å; E327-D331 PolarHBondContact O-N 3.45Å
328	P	38.2	Very low	38	Very low	87 Å²	87	107.2 Å²	107.2	57%	0.565	55%	0.55	S	S	*	*	H	α-helix	trans	-66.5	-28.4	-176.5	-20.9	33	0	0	0	114.1	Q325 A332	Q325-P328 WeakPolarHBondContact O-CD 3.47Å; P328-A332 PolarHBondContact O-N 2.88Å
329	I	36	Very low	38.3	Very low	87 Å²	87	104.4 Å²	104.4	45%	0.446	54%	0.542	S	S	.	.	H	α-helix	trans	-76.6	-38.7	-177.2	-61.9	175.3	0	0	0	110.3	M326 E327 Y333	M326-I329 PolarHBondContact O-N 2.92Å; E327-I329 VanDerWaalsContact C-N 3.29Å; E327-I329 PolarHBondContact O-N 3.45Å; I329-Y333 WeakPolarHBondContact O-CB 3.41Å; I329-Y333 PolarHBondContact O-N 3.25Å; I329-Y333 VanDerWaalsContact O-N 3.11Å
330	L	39.6	Very low	38.4	Very low	66 Å²	66	102.3 Å²	102.3	35%	0.346	53%	0.528	S	S	.	.	H	α-helix	trans	-65.7	-43.6	174.9	-79.6	162.4	0	0	0	111.2	E327 A332 Y333 Y334	E327-L330 PolarHBondContact O-N 3.3Å; L330-A332 PolarHBondContact O-N 2.83Å; L330-Y333 PolarHBondContact O-N 3.13Å; L330-Y334 HydrophobicContact CD2-CE2 4.47Å; L330-Y334 WeakPolarHBondContact O-CD2 3.37Å; L330-Y334 PolarHBondContact O-N 2.75Å
331	D	42.2	Very low	38.9	Very low	118 Å²	118	98.9 Å²	98.9	63%	0.631	52%	0.517	S	S	*	.	H	α-helix	trans	-61.9	-42.3	178.8	-117.9	15.9	0	0	0	112.3	E327 T335	E327-D331 PolarHBondContact O-N 3.45Å; D331-T335 WeakPolarHBondContact O-CB 3.37Å; D331-T335 PolarHBondContact O-N 2.72Å; D331-T335 VanDerWaalsContact O-N 3.08Å; D331-T335 PolarHBondContact O-OG1 3.01Å
332	A	35	Very low	39.5	Very low	55 Å²	55	97.5 Å²	97.5	46%	0.455	52%	0.52	S	S	.	.	H	α-helix	trans	-66.2	-39.3	176.5	0	0	0	0	0	112.6	P328 L330 T336	P328-A332 PolarHBondContact O-N 2.88Å; L330-A332 PolarHBondContact O-N 2.83Å; A332-T336 WeakPolarHBondContact O-CB 3.25Å; A332-T336 PolarHBondContact O-N 2.76Å; A332-T336 PolarHBondContact O-OG1 2.84Å
333	Y	37.7	Very low	39.5	Very low	135 Å²	135	98.5 Å²	98.5	53%	0.529	51%	0.512	S	S	.	.	H	α-helix	trans	-66.7	-47.7	177.2	-176.3	-97	0	0	0	111.9	I329 L330 T335 T336 K337	I329-Y333 WeakPolarHBondContact O-CB 3.41Å; I329-Y333 PolarHBondContact O-N 3.25Å; I329-Y333 VanDerWaalsContact O-N 3.11Å; L330-Y333 PolarHBondContact O-N 3.13Å; Y333-T335 PolarHBondContact O-N 2.82Å; Y333-T336 PolarHBondContact O-N 3.49Å; Y333-K337 HydrophobicContact CD1-CG 4.37Å; Y333-K337 HydrophobicContact CD2-CG 4.31Å; Y333-K337 HydrophobicContact CE1-CG 4.02Å; Y333-K337 HydrophobicContact CE2-CG 3.96Å; Y333-K337 WeakPolarHBondContact O-CB 3.38Å; Y333-K337 WeakPolarHBondContact O-CG 3.47Å; Y333-K337 PolarHBondContact O-N 2.89Å
334	Y	44.2	Very low	39.9	Very low	128 Å²	128	93.7 Å²	93.7	50%	0.502	48%	0.482	S	S	.	.	H	α-helix	trans	-60.6	-45.6	178.6	-94.7	-82.1	0	0	0	111.8	L330 T336 L338	L330-Y334 HydrophobicContact CD2-CE2 4.47Å; L330-Y334 WeakPolarHBondContact O-CD2 3.37Å; L330-Y334 PolarHBondContact O-N 2.75Å; Y334-T336 PolarHBondContact O-N 2.7Å; Y334-L338 HydrophobicContact CD1-CD1 4.21Å; Y334-L338 WeakPolarHBondContact O-CB 3.21Å; Y334-L338 PolarHBondContact O-N 3.3Å
335	T	39.7	Very low	40.3	Very low	103 Å²	103	92.6 Å²	92.6	63%	0.632	48%	0.479	S	S	*	.	H	α-helix	trans	-63.6	-42.1	-179	-50.7	0	0	0	0	111.8	D331 Y333 G339	D331-T335 WeakPolarHBondContact O-CB 3.37Å; D331-T335 PolarHBondContact O-N 2.72Å; D331-T335 VanDerWaalsContact O-N 3.08Å; D331-T335 PolarHBondContact O-OG1 3.01Å; Y333-T335 PolarHBondContact O-N 2.82Å; T335-G339 PolarHBondContact O-N 3.22Å
336	T	35.4	Very low	40.8	Very low	85 Å²	85	91.9 Å²	91.9	52%	0.521	48%	0.475	S	S	.	.	H	α-helix	trans	-73.2	-39.6	-177.1	-50.1	0	0	0	0	111.9	A332 Y333 Y334 Q340	A332-T336 WeakPolarHBondContact O-CB 3.25Å; A332-T336 PolarHBondContact O-N 2.76Å; A332-T336 PolarHBondContact O-OG1 2.84Å; Y333-T336 PolarHBondContact O-N 3.49Å; Y334-T336 PolarHBondContact O-N 2.7Å; T336-Q340 WeakPolarHBondContact O-CG 3.5Å; T336-Q340 PolarHBondContact O-N 2.71Å
337	K	42.5	Very low	41	Very low	66 Å²	66	93.3 Å²	93.3	29%	0.287	48%	0.479	S	S	.	.	H	α-helix	trans	-74.2	-42.7	-179.4	-72	-66.4	-176.2	-176.4	0	112.6	Y333 G339 Q340 F341	Y333-K337 HydrophobicContact CD1-CG 4.37Å; Y333-K337 HydrophobicContact CD2-CG 4.31Å; Y333-K337 HydrophobicContact CE1-CG 4.02Å; Y333-K337 HydrophobicContact CE2-CG 3.96Å; Y333-K337 WeakPolarHBondContact O-CB 3.38Å; Y333-K337 WeakPolarHBondContact O-CG 3.47Å; Y333-K337 PolarHBondContact O-N 2.89Å; K337-G339 VanDerWaalsContact C-N 3.32Å; K337-G339 PolarHBondContact O-N 2.79Å; K337-Q340 PolarHBondContact O-N 3.43Å; K337-F341 WeakPolarHBondContact O-CD2 3.45Å; K337-F341 PolarHBondContact O-N 3.06Å
338	L	39	Very low	41.5	Very low	114 Å²	114	89.9 Å²	89.9	60%	0.597	46%	0.464	S	S	*	.	H	α-helix	trans	-62.4	-38.3	176.3	-82.3	161.4	0	0	0	112.4	Y334 F341 S342	Y334-L338 HydrophobicContact CD1-CD1 4.21Å; Y334-L338 WeakPolarHBondContact O-CB 3.21Å; Y334-L338 PolarHBondContact O-N 3.3Å; L338-F341 PolarHBondContact O-N 3.04Å; L338-S342 PolarHBondContact O-N 2.63Å
339	G	40.3	Very low	42	Very low	44 Å²	44	91.4 Å²	91.4	45%	0.454	46%	0.463	S	S	.	.	H	α-helix	trans	-62.5	-42.4	174.2	0	0	0	0	0	113.1	T335 K337 S342 Y343	T335-G339 PolarHBondContact O-N 3.22Å; K337-G339 VanDerWaalsContact C-N 3.32Å; K337-G339 PolarHBondContact O-N 2.79Å; G339-S342 PolarHBondContact O-N 2.79Å; G339-Y343 PolarHBondContact O-N 3.46Å; G339-Y343 VanDerWaalsContact O-N 3.15Å
340	Q	38.3	Very low	42.9	Very low	79 Å²	79	91 Å²	91	37%	0.369	47%	0.469	S	S	.	.	H	α-helix	trans	-64.7	-43.9	175.3	-74.4	178.2	-10.4	0	0	111.9	T336 K337 S342 Y343 W344	T336-Q340 WeakPolarHBondContact O-CG 3.5Å; T336-Q340 PolarHBondContact O-N 2.71Å; K337-Q340 PolarHBondContact O-N 3.43Å; Q340-S342 PolarHBondContact O-N 3.41Å; Q340-Y343 PolarHBondContact O-N 3.01Å; Q340-W344 HydrophobicContact CB-CZ2 4.08Å; Q340-W344 PolarHBondContact O-N 3Å
341	F	41.3	Very low	43.2	Very low	82 Å²	82	89 Å²	89	36%	0.36	46%	0.461	S	S	.	.	H	α-helix	trans	-61.3	-40.1	176.5	-84.4	-68.4	0	0	0	113.1	K337 L338 W344 N345 L400	K337-F341 WeakPolarHBondContact O-CD2 3.45Å; K337-F341 PolarHBondContact O-N 3.06Å; L338-F341 PolarHBondContact O-N 3.04Å; F341-W344 AromaticContact CD1-CE3 3.52Å; F341-W344 HydrophobicContact CD1-CE3 3.52Å; F341-W344 AromaticContact CD1-CZ3 3.72Å; F341-W344 HydrophobicContact CD1-CZ3 3.72Å; F341-W344 AromaticContact CE1-CE3 3.73Å; F341-W344 HydrophobicContact CE1-CE3 3.73Å; F341-W344 AromaticContact CE1-CZ3 3.48Å; F341-W344 HydrophobicContact CE1-CZ3 3.48Å; F341-W344 VanDerWaalsContact CE1-CZ3 3.48Å; F341-W344 HydrophobicContact CE2-CZ3 4.39Å; F341-W344 HydrophobicContact CG-CE3 4.13Å; F341-W344 HydrophobicContact CG-CZ3 4.26Å; F341-W344 HydrophobicContact CZ-CE3 4.49Å; F341-W344 AromaticContact CZ-CZ3 3.84Å; F341-W344 HydrophobicContact CZ-CZ3 3.84Å; F341-W344 PolarHBondContact O-N 3.17Å; F341-N345 PolarHBondContact O-N 3.43Å; F341-L400 HydrophobicContact CD1-CD1 4.41Å; F341-L400 HydrophobicContact CD1-CD2 4.33Å; F341-L400 HydrophobicContact CE1-CD1 4.12Å; F341-L400 HydrophobicContact CE1-CD2 3.47Å; F341-L400 VanDerWaalsContact CE1-CD2 3.47Å; F341-L400 HydrophobicContact CE1-CG 4.47Å; F341-L400 HydrophobicContact CZ-CD2 4.01Å
342	S	44.3	Very low	43.4	Very low	74 Å²	74	85.4 Å²	85.4	52%	0.517	44%	0.444	S	S	.	.	H	α-helix	trans	-63.4	-45.9	176.2	-174.8	0	0	0	0	111.7	L338 G339 Q340 W344 N345 E346	L338-S342 PolarHBondContact O-N 2.63Å; G339-S342 PolarHBondContact O-N 2.79Å; Q340-S342 PolarHBondContact O-N 3.41Å; S342-W344 VanDerWaalsContact C-N 3.34Å; S342-W344 PolarHBondContact O-N 3.41Å; S342-N345 PolarHBondContact O-N 3.07Å; S342-E346 PolarHBondContact O-N 3.16Å
343	Y	41.5	Very low	44.7	Very low	136 Å²	136	89.8 Å²	89.8	53%	0.533	45%	0.453	S	S	.	.	H	α-helix	trans	-61.2	-39.2	175.3	179.1	-98	0	0	0	112.8	G339 Q340 K347	G339-Y343 PolarHBondContact O-N 3.46Å; G339-Y343 VanDerWaalsContact O-N 3.15Å; Q340-Y343 PolarHBondContact O-N 3.01Å; Y343-K347 HydrophobicContact CE1-CG 4.21Å; Y343-K347 PolarHBondContact O-N 2.87Å; Y343-K347 WeakPolarHBondContact OH-CE 3.49Å
344	W	45.5	Very low	45.4	Very low	49 Å²	49	84.4 Å²	84.4	19%	0.186	44%	0.436	C	S	.	.	H	α-helix	trans	-64.8	-43.2	177.1	-63.7	-15.4	0	0	0	112.6	Q340 F341 S342 E346 K347 I348 D458	Q340-W344 HydrophobicContact CB-CZ2 4.08Å; Q340-W344 PolarHBondContact O-N 3Å; F341-W344 AromaticContact CD1-CE3 3.52Å; F341-W344 HydrophobicContact CD1-CE3 3.52Å; F341-W344 AromaticContact CD1-CZ3 3.72Å; F341-W344 HydrophobicContact CD1-CZ3 3.72Å; F341-W344 AromaticContact CE1-CE3 3.73Å; F341-W344 HydrophobicContact CE1-CE3 3.73Å; F341-W344 AromaticContact CE1-CZ3 3.48Å; F341-W344 HydrophobicContact CE1-CZ3 3.48Å; F341-W344 VanDerWaalsContact CE1-CZ3 3.48Å; F341-W344 HydrophobicContact CE2-CZ3 4.39Å; F341-W344 HydrophobicContact CG-CE3 4.13Å; F341-W344 HydrophobicContact CG-CZ3 4.26Å; F341-W344 HydrophobicContact CZ-CE3 4.49Å; F341-W344 AromaticContact CZ-CZ3 3.84Å; F341-W344 HydrophobicContact CZ-CZ3 3.84Å; F341-W344 PolarHBondContact O-N 3.17Å; S342-W344 VanDerWaalsContact C-N 3.34Å; S342-W344 PolarHBondContact O-N 3.41Å; W344-E346 VanDerWaalsContact C-N 3.35Å; W344-E346 PolarHBondContact O-N 2.68Å; W344-K347 PolarHBondContact O-N 3.39Å; W344-I348 WeakPolarHBondContact O-CB 2.75Å; W344-I348 WeakPolarHBondContact O-CG1 3.25Å; W344-I348 PolarHBondContact O-N 2.67Å; W344-D458 WeakPolarHBondContact CH2-OD1 3.11Å
345	N	47	Very low	45.7	Very low	88 Å²	88	79 Å²	79	47%	0.471	42%	0.415	S	S	.	.	H	α-helix	trans	-61.5	-42.6	-179.5	-162.2	14.5	0	0	0	111.3	F341 S342 K347 Q349	F341-N345 PolarHBondContact O-N 3.43Å; S342-N345 PolarHBondContact O-N 3.07Å; N345-K347 PolarHBondContact O-N 2.88Å; N345-Q349 VanDerWaalsContact O-CB 3.32Å; N345-Q349 WeakPolarHBondContact O-CB 3.23Å; N345-Q349 WeakPolarHBondContact O-CG 3.28Å; N345-Q349 PolarHBondContact O-N 2.99Å; N345-Q349 PolarHBondContact OD1-NE2 2.9Å
346	E	49.6	Very low	46.6	Very low	131 Å²	131	79.4 Å²	79.4	61%	0.612	41%	0.409	S	S	*	.	H	α-helix	trans	-63.8	-41.3	177.3	-70.7	-170.5	160	0	0	113.4	S342 W344 S350	S342-E346 PolarHBondContact O-N 3.16Å; W344-E346 VanDerWaalsContact C-N 3.35Å; W344-E346 PolarHBondContact O-N 2.68Å; E346-S350 WeakPolarHBondContact O-CB 3.33Å; E346-S350 PolarHBondContact O-N 3.49Å; E346-S350 VanDerWaalsContact O-N 3.12Å; E346-S350 PolarHBondContact O-OG 3.37Å
347	K	47.4	Very low	47.9	Very low	117 Å²	117	79.6 Å²	79.6	51%	0.509	41%	0.41	S	S	.	.	H	α-helix	trans	-71.2	-43.4	-179.6	-74.8	-76.1	-175.6	176.8	0	112.3	Y343 W344 N345 S350 A351	Y343-K347 HydrophobicContact CE1-CG 4.21Å; Y343-K347 PolarHBondContact O-N 2.87Å; Y343-K347 WeakPolarHBondContact OH-CE 3.49Å; W344-K347 PolarHBondContact O-N 3.39Å; N345-K347 PolarHBondContact O-N 2.88Å; K347-S350 PolarHBondContact O-N 2.93Å; K347-A351 PolarHBondContact O-N 3.02Å
348	I	46.6	Very low	48.6	Very low	44 Å²	44	81.2 Å²	81.2	23%	0.226	42%	0.419	C	S	.	.	H	α-helix	trans	-65.3	-45.9	178	-70	170.4	0	0	0	110.2	W344 S350 A351 V352 I393	W344-I348 WeakPolarHBondContact O-CB 2.75Å; W344-I348 WeakPolarHBondContact O-CG1 3.25Å; W344-I348 PolarHBondContact O-N 2.67Å; I348-S350 VanDerWaalsContact C-N 3.3Å; I348-S350 PolarHBondContact O-N 3.28Å; I348-A351 PolarHBondContact O-N 3.05Å; I348-A351 VanDerWaalsContact O-N 3.15Å; I348-V352 HydrophobicContact CG2-CG2 4.24Å; I348-V352 VanDerWaalsContact O-CG2 3.31Å; I348-V352 WeakPolarHBondContact O-CG2 3.37Å; I348-V352 PolarHBondContact O-N 3.5Å; I348-I393 HydrophobicContact CD1-CG2 4.46Å; I348-I393 HydrophobicContact CG2-CG2 3.47Å; I348-I393 VanDerWaalsContact CG2-CG2 3.47Å
349	Q	49.8	Very low	49.1	Very low	118 Å²	118	76.7 Å²	76.7	55%	0.551	39%	0.394	S	S	*	.	H	α-helix	trans	-59.6	-40.5	176.5	-75	-177.1	16.4	0	0	112.5	N345 V352 K353	N345-Q349 VanDerWaalsContact O-CB 3.32Å; N345-Q349 WeakPolarHBondContact O-CB 3.23Å; N345-Q349 WeakPolarHBondContact O-CG 3.28Å; N345-Q349 PolarHBondContact O-N 2.99Å; N345-Q349 PolarHBondContact OD1-NE2 2.9Å; Q349-V352 PolarHBondContact O-N 3.33Å; Q349-K353 VanDerWaalsContact O-CB 3.32Å; Q349-K353 WeakPolarHBondContact O-CB 3.34Å; Q349-K353 PolarHBondContact O-N 3.42Å
350	S	53.7	Low	49.8	Very low	80 Å²	80	79.1 Å²	79.1	56%	0.559	39%	0.392	S	S	*	.	H	α-helix	trans	-63.3	-41.3	176	-63.1	0	0	0	0	112.3	E346 K347 I348 K353 A354	E346-S350 WeakPolarHBondContact O-CB 3.33Å; E346-S350 PolarHBondContact O-N 3.49Å; E346-S350 VanDerWaalsContact O-N 3.12Å; E346-S350 PolarHBondContact O-OG 3.37Å; K347-S350 PolarHBondContact O-N 2.93Å; I348-S350 VanDerWaalsContact C-N 3.3Å; I348-S350 PolarHBondContact O-N 3.28Å; S350-K353 PolarHBondContact O-N 3.12Å; S350-A354 PolarHBondContact O-N 3.04Å
351	A	45.6	Very low	50.8	Low	23 Å²	23	78 Å²	78	19%	0.19	39%	0.392	C	S	.	.	H	α-helix	trans	-67.7	-43.3	177.5	0	0	0	0	0	112.4	K347 I348 A354 W355 F468	K347-A351 PolarHBondContact O-N 3.02Å; I348-A351 PolarHBondContact O-N 3.05Å; I348-A351 VanDerWaalsContact O-N 3.15Å; A351-A354 PolarHBondContact O-N 3.19Å; A351-W355 PolarHBondContact O-N 2.7Å; A351-F468 HydrophobicContact CB-CD1 4.07Å; A351-F468 HydrophobicContact CB-CE1 3.82Å
352	V	47.4	Very low	51.2	Low	43 Å²	43	75.8 Å²	75.8	26%	0.261	39%	0.385	S	S	.	.	H	α-helix	trans	-60.4	-45.7	174.2	172.1	0	0	0	0	110.5	I348 Q349 A354 W355 E356 L390	I348-V352 HydrophobicContact CG2-CG2 4.24Å; I348-V352 VanDerWaalsContact O-CG2 3.31Å; I348-V352 WeakPolarHBondContact O-CG2 3.37Å; I348-V352 PolarHBondContact O-N 3.5Å; Q349-V352 PolarHBondContact O-N 3.33Å; V352-A354 VanDerWaalsContact C-N 3.32Å; V352-A354 PolarHBondContact O-N 3.14Å; V352-W355 WeakPolarHBondContact O-CB 3.46Å; V352-W355 PolarHBondContact O-N 3.06Å; V352-E356 WeakPolarHBondContact O-CG 3.28Å; V352-E356 PolarHBondContact O-N 3.18Å; V352-L390 HydrophobicContact CG2-CD2 4.05Å
353	K	61.9	Low	51.3	Low	147 Å²	147	72.9 Å²	72.9	64%	0.639	36%	0.363	S	S	*	.	H	α-helix	trans	-62	-38.6	177.4	-169.6	176.5	-177.1	177.6	0	112.5	Q349 S350 T357	Q349-K353 VanDerWaalsContact O-CB 3.32Å; Q349-K353 WeakPolarHBondContact O-CB 3.34Å; Q349-K353 PolarHBondContact O-N 3.42Å; S350-K353 PolarHBondContact O-N 3.12Å; K353-T357 WeakPolarHBondContact O-CB 3.04Å; K353-T357 WeakPolarHBondContact O-CG2 2.81Å; K353-T357 PolarHBondContact O-N 3.03Å; K353-T357 PolarHBondContact O-OG1 2.9Å
354	A	52.3	Low	51.9	Low	21 Å²	21	71.5 Å²	71.5	17%	0.174	37%	0.365	C	S	.	.	H	α-helix	trans	-65	-40.8	175.2	0	0	0	0	0	112	S350 A351 V352 T357 Q358 Y359 L472	S350-A354 PolarHBondContact O-N 3.04Å; A351-A354 PolarHBondContact O-N 3.19Å; V352-A354 VanDerWaalsContact C-N 3.32Å; V352-A354 PolarHBondContact O-N 3.14Å; A354-T357 PolarHBondContact O-OG1 2.76Å; A354-Q358 WeakPolarHBondContact O-CB 3.33Å; A354-Q358 PolarHBondContact O-N 3.37Å; A354-Y359 WeakPolarHBondContact O-CD2 3.47Å; A354-L472 HydrophobicContact CB-CD2 4.42Å
355	W	50.9	Low	52.3	Low	16 Å²	16	76.5 Å²	76.5	6%	0.061	39%	0.388	C	S	.	.	I	π-helix	trans	-57.8	-54.4	174.4	176.5	-114.5	0	0	0	112.9	A351 V352 T357 Y359 K360 L363 L383 V386 E387 L390 F468	A351-W355 PolarHBondContact O-N 2.7Å; V352-W355 WeakPolarHBondContact O-CB 3.46Å; V352-W355 PolarHBondContact O-N 3.06Å; W355-T357 VanDerWaalsContact C-N 3.28Å; W355-T357 PolarHBondContact O-N 2.8Å; W355-Y359 VanDerWaalsContact CE3-CB 3.43Å; W355-Y359 HydrophobicContact CE3-CG 4.28Å; W355-Y359 PolarHBondContact O-N 3.18Å; W355-Y359 VanDerWaalsContact O-N 3.09Å; W355-K360 WeakPolarHBondContact O-CB 3.06Å; W355-K360 PolarHBondContact O-N 3.14Å; W355-L363 HydrophobicContact CZ2-CD2 4.43Å; W355-L383 VanDerWaalsContact CH2-O 3.22Å; W355-L383 WeakPolarHBondContact CH2-O 3.22Å; W355-L383 HydrophobicContact CZ3-CD2 4.19Å; W355-V386 HydrophobicContact CD2-CG1 4.38Å; W355-V386 HydrophobicContact CE3-CB 4.38Å; W355-V386 HydrophobicContact CE3-CG1 3.41Å; W355-V386 VanDerWaalsContact CE3-CG1 3.41Å; W355-V386 HydrophobicContact CH2-CB 4.2Å; W355-V386 HydrophobicContact CH2-CG1 4.05Å; W355-V386 HydrophobicContact CZ3-CB 3.71Å; W355-V386 HydrophobicContact CZ3-CG1 3.22Å; W355-E387 HydrophobicContact CH2-CB 3.85Å; W355-E387 HydrophobicContact CZ2-CB 3.49Å; W355-E387 VanDerWaalsContact CZ2-CB 3.49Å; W355-E387 HydrophobicContact CZ2-CG 3.85Å; W355-L390 HydrophobicContact CB-CD1 3.39Å; W355-L390 HydrophobicContact CD2-CD1 3.19Å; W355-L390 HydrophobicContact CE3-CD1 3.78Å; W355-L390 HydrophobicContact CG-CD1 3Å; W355-L390 HydrophobicContact CG-CG 4.48Å; W355-F468 HydrophobicContact CB-CZ 4.08Å; W355-F468 HydrophobicContact CE3-CE2 4.48Å
356	E	58.1	Low	52.2	Low	111 Å²	111	73.5 Å²	73.5	52%	0.519	37%	0.372	S	S	.	.	I	π-helix	trans	-61.6	-38.3	-175.5	-69.9	-175.7	150.6	0	0	111.9	V352	V352-E356 WeakPolarHBondContact O-CG 3.28Å; V352-E356 PolarHBondContact O-N 3.18Å
357	T	62.5	Low	52.1	Low	88 Å²	88	70.4 Å²	70.4	54%	0.54	37%	0.369	S	S	.	.	I	π-helix	trans	-87	-35.1	-174.2	55.2	0	0	0	0	114.2	K353 A354 W355	K353-T357 WeakPolarHBondContact O-CB 3.04Å; K353-T357 WeakPolarHBondContact O-CG2 2.81Å; K353-T357 PolarHBondContact O-N 3.03Å; K353-T357 PolarHBondContact O-OG1 2.9Å; A354-T357 PolarHBondContact O-OG1 2.76Å; W355-T357 VanDerWaalsContact C-N 3.28Å; W355-T357 PolarHBondContact O-N 2.8Å
358	Q	57.7	Low	51.9	Low	101 Å²	101	70.2 Å²	70.2	47%	0.472	38%	0.381	S	S	.	.	I	π-helix	trans	-111.5	-39.4	-170	-60	176.1	21.3	0	0	113.4	A354 V362	A354-Q358 WeakPolarHBondContact O-CB 3.33Å; A354-Q358 PolarHBondContact O-N 3.37Å; Q358-V362 VanDerWaalsContact O-CG2 3.29Å; Q358-V362 WeakPolarHBondContact O-CG2 3.37Å
359	Y	49.5	Very low	51.6	Low	18 Å²	18	72 Å²	72	7%	0.071	39%	0.39	C	S	.	.	I	π-helix	trans	-102.9	-37.8	-166.7	-65.4	-86.1	0	0	0	113.1	A354 W355 V362 L363 L383 L472 A475	A354-Y359 WeakPolarHBondContact O-CD2 3.47Å; W355-Y359 VanDerWaalsContact CE3-CB 3.43Å; W355-Y359 HydrophobicContact CE3-CG 4.28Å; W355-Y359 PolarHBondContact O-N 3.18Å; W355-Y359 VanDerWaalsContact O-N 3.09Å; Y359-V362 CarbonylContact O-C 3.47Å; Y359-V362 WeakPolarHBondContact O-CA 3.32Å; Y359-V362 WeakPolarHBondContact O-CB 3.39Å; Y359-V362 PolarHBondContact O-N 3.24Å; Y359-L363 PolarHBondContact O-N 3.49Å; Y359-L383 HydrophobicContact CD1-CD2 3.91Å; Y359-L472 HydrophobicContact CD1-CG 4.36Å; Y359-L472 HydrophobicContact CD2-CD2 3.82Å; Y359-L472 HydrophobicContact CD2-CG 3.98Å; Y359-L472 HydrophobicContact CE1-CB 4.25Å; Y359-L472 HydrophobicContact CE1-CD2 4.3Å; Y359-L472 HydrophobicContact CE1-CG 3.73Å; Y359-L472 HydrophobicContact CE2-CB 4.37Å; Y359-L472 HydrophobicContact CE2-CD1 4.35Å; Y359-L472 HydrophobicContact CE2-CD2 3.01Å; Y359-L472 HydrophobicContact CE2-CG 3.36Å; Y359-L472 HydrophobicContact CG-CG 4.48Å; Y359-L472 WeakPolarHBondContact OH-CB 3.37Å; Y359-L472 VanDerWaalsContact OH-CD2 3.3Å; Y359-L472 WeakPolarHBondContact OH-CD2 3.4Å; Y359-L472 VanDerWaalsContact OH-CG 3.31Å; Y359-L472 WeakPolarHBondContact OH-CG 3.17Å; Y359-L472 PolarHBondContact OH-O 3.46Å; Y359-A475 HydrophobicContact CE1-CB 4.19Å
360	K	55.5	Low	51.2	Low	96 Å²	96	78.7 Å²	78.7	42%	0.417	41%	0.41	S	S	.	.	H	α-helix	trans	-57.2	-42.5	174.8	-170.6	174.1	-173.1	170.8	0	112.9	W355 V362 L363 L364	W355-K360 WeakPolarHBondContact O-CB 3.06Å; W355-K360 PolarHBondContact O-N 3.14Å; K360-V362 VanDerWaalsContact C-N 3.29Å; K360-V362 PolarHBondContact O-N 3.34Å; K360-L363 PolarHBondContact O-N 2.72Å; K360-L364 HydrophobicContact CG-CD1 4.46Å; K360-L364 VanDerWaalsContact O-CG 3.31Å; K360-L364 WeakPolarHBondContact O-CG 3.39Å; K360-L364 PolarHBondContact O-N 3.37Å
361	P	59.8	Low	50.6	Low	56 Å²	56	81.8 Å²	81.8	36%	0.364	41%	0.41	S	S	.	.	H	α-helix	trans	-65.2	-30.5	173.9	-21.7	34.8	0	0	0	113.5	K365	P361-K365 WeakPolarHBondContact O-CB 3.23Å; P361-K365 WeakPolarHBondContact O-CG 3.36Å; P361-K365 PolarHBondContact O-N 3.47Å
362	V	48	Very low	50.4	Low	35 Å²	35	91 Å²	91	21%	0.212	45%	0.446	C	S	.	.	H	α-helix	trans	-75.8	-43.4	178.5	175.7	0	0	0	0	110.7	Q358 Y359 K360 L364 K365 L366 L383 L479	Q358-V362 VanDerWaalsContact O-CG2 3.29Å; Q358-V362 WeakPolarHBondContact O-CG2 3.37Å; Y359-V362 CarbonylContact O-C 3.47Å; Y359-V362 WeakPolarHBondContact O-CA 3.32Å; Y359-V362 WeakPolarHBondContact O-CB 3.39Å; Y359-V362 PolarHBondContact O-N 3.24Å; K360-V362 VanDerWaalsContact C-N 3.29Å; K360-V362 PolarHBondContact O-N 3.34Å; V362-L364 VanDerWaalsContact C-N 3.34Å; V362-L364 PolarHBondContact O-N 3.48Å; V362-K365 PolarHBondContact O-N 3.43Å; V362-L366 HydrophobicContact CG1-CD1 3.81Å; V362-L366 HydrophobicContact CG1-CG 4.34Å; V362-L366 WeakPolarHBondContact O-CB 3.32Å; V362-L366 WeakPolarHBondContact O-CG 3.43Å; V362-L366 PolarHBondContact O-N 3.34Å; V362-L383 HydrophobicContact CG1-CD1 4.15Å; V362-L479 HydrophobicContact CG1-CD1 4.31Å
363	L	48.1	Very low	50.3	Low	13 Å²	13	91.5 Å²	91.5	7%	0.068	45%	0.45	C	S	.	.	H	α-helix	trans	-55.2	-48.6	171.3	-179.6	87.5	0	0	0	110.8	W355 Y359 K360 K365 L366 A367 L380 L383 K384 E387	W355-L363 HydrophobicContact CZ2-CD2 4.43Å; Y359-L363 PolarHBondContact O-N 3.49Å; K360-L363 PolarHBondContact O-N 2.72Å; L363-K365 PolarHBondContact O-N 3.23Å; L363-L366 PolarHBondContact O-N 2.82Å; L363-A367 WeakPolarHBondContact O-CB 3.48Å; L363-A367 PolarHBondContact O-N 2.81Å; L363-L380 HydrophobicContact CD1-CD1 4.35Å; L363-L383 HydrophobicContact CB-CB 4.45Å; L363-L383 HydrophobicContact CB-CD1 4.34Å; L363-L383 HydrophobicContact CD1-CB 3.43Å; L363-L383 VanDerWaalsContact CD1-CB 3.43Å; L363-L383 HydrophobicContact CD1-CD1 4.45Å; L363-K384 HydrophobicContact CD1-CG 4.22Å; L363-E387 WeakPolarHBondContact CD2-OE2 3.22Å
364	L	52.1	Low	49.6	Very low	107 Å²	107	92.7 Å²	92.7	56%	0.56	46%	0.459	S	S	*	.	H	α-helix	trans	-62.6	-41.6	178.3	-72.2	169.2	0	0	0	112.3	K360 V362 C368	K360-L364 HydrophobicContact CG-CD1 4.46Å; K360-L364 VanDerWaalsContact O-CG 3.31Å; K360-L364 WeakPolarHBondContact O-CG 3.39Å; K360-L364 PolarHBondContact O-N 3.37Å; V362-L364 VanDerWaalsContact C-N 3.34Å; V362-L364 PolarHBondContact O-N 3.48Å; L364-C368 PolarHBondContact O-N 3.37Å; L364-C368 PolarHBondContact O-SG 3.38Å; L364-C368 VanDerWaalsContact O-SG 3.39Å
365	K	54.6	Low	49.1	Very low	153 Å²	153	95.1 Å²	95.1	67%	0.665	47%	0.468	S	S	*	.	H	α-helix	trans	-66.1	-41.2	175.4	-81	177.4	179.9	178.2	0	112.1	P361 V362 L363 C368 L369	P361-K365 WeakPolarHBondContact O-CB 3.23Å; P361-K365 WeakPolarHBondContact O-CG 3.36Å; P361-K365 PolarHBondContact O-N 3.47Å; V362-K365 PolarHBondContact O-N 3.43Å; L363-K365 PolarHBondContact O-N 3.23Å; K365-C368 PolarHBondContact O-N 3.46Å; K365-L369 WeakPolarHBondContact O-CG 3.33Å; K365-L369 PolarHBondContact O-N 2.7Å
366	L	44.9	Very low	48.9	Very low	26 Å²	26	95.6 Å²	95.6	14%	0.136	47%	0.47	C	S	.	.	H	α-helix	trans	-65.7	-49.7	176.9	-74.3	167.3	0	0	0	110.2	V362 L363 C368 L369 Y376 V379 L380 L383	V362-L366 HydrophobicContact CG1-CD1 3.81Å; V362-L366 HydrophobicContact CG1-CG 4.34Å; V362-L366 WeakPolarHBondContact O-CB 3.32Å; V362-L366 WeakPolarHBondContact O-CG 3.43Å; V362-L366 PolarHBondContact O-N 3.34Å; L363-L366 PolarHBondContact O-N 2.82Å; L366-C368 PolarHBondContact O-N 3.44Å; L366-L369 WeakPolarHBondContact O-CB 3.44Å; L366-L369 PolarHBondContact O-N 3.35Å; L366-Y376 HydrophobicContact CB-CE2 4Å; L366-Y376 HydrophobicContact CD2-CD2 3.59Å; L366-Y376 HydrophobicContact CD2-CE2 3.66Å; L366-Y376 HydrophobicContact CG-CE2 4.45Å; L366-Y376 WeakPolarHBondContact O-CE2 3.38Å; L366-Y376 VanDerWaalsContact O-CZ 3.24Å; L366-Y376 PolarHBondContact O-OH 3.36Å; L366-V379 HydrophobicContact CD1-CB 4.42Å; L366-V379 HydrophobicContact CD1-CG1 3.5Å; L366-V379 VanDerWaalsContact CD1-CG1 3.5Å; L366-L380 HydrophobicContact CB-CD1 4.38Å; L366-L383 HydrophobicContact CD1-CD1 3.52Å
367	A	47.7	Very low	48.7	Very low	66 Å²	66	95.1 Å²	95.1	55%	0.545	47%	0.468	S	S	.	.	H	α-helix	trans	-54.5	-27.4	177.9	0	0	0	0	0	113.8	L363	L363-A367 WeakPolarHBondContact O-CB 3.48Å; L363-A367 PolarHBondContact O-N 2.81Å
368	C	42.5	Very low	48.1	Very low	113 Å²	113	93.4 Å²	93.4	76%	0.764	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-13.3	175.7	-72.9	0	0	0	0	115	L364 K365 L366	L364-C368 PolarHBondContact O-N 3.37Å; L364-C368 PolarHBondContact O-SG 3.38Å; L364-C368 VanDerWaalsContact O-SG 3.39Å; K365-C368 PolarHBondContact O-N 3.46Å; L366-C368 PolarHBondContact O-N 3.44Å
369	L	41.6	Very low	47.4	Very low	80 Å²	80	89.7 Å²	89.7	42%	0.419	44%	0.441	S	S	.	.			trans	-92	105.1	-179.1	-72.8	165.7	0	0	0	110.8	K365 L366 R371 Y376	K365-L369 WeakPolarHBondContact O-CG 3.33Å; K365-L369 PolarHBondContact O-N 2.7Å; L366-L369 WeakPolarHBondContact O-CB 3.44Å; L366-L369 PolarHBondContact O-N 3.35Å; L369-R371 VanDerWaalsContact C-N 3.31Å; L369-R371 PolarHBondContact O-N 2.79Å; L369-Y376 HydrophobicContact CB-CE2 3.89Å; L369-Y376 WeakPolarHBondContact O-CE2 3.41Å; L369-Y376 PolarHBondContact O-OH 2.95Å
370	R	41.6	Very low	47.6	Very low	259 Å²	259	89.6 Å²	89.6	98%	0.977	44%	0.442	S	S	*	.			trans	-68.3	85.4	165.3	-88.3	-176.3	172.4	176	-1.2	110
371	R	39.8	Very low	47.7	Very low	146 Å²	146	89 Å²	89	55%	0.551	45%	0.447	S	S	*	.			trans	-133.9	120.7	173	-74.2	-169.6	174.8	-173.2	-0.6	111.5	L369 S373 Y376	L369-R371 VanDerWaalsContact C-N 3.31Å; L369-R371 PolarHBondContact O-N 2.79Å; R371-S373 PolarHBondContact O-N 2.81Å; R371-Y376 WeakPolarHBondContact O-CD1 3.02Å
372	K	42.9	Very low	47.2	Very low	217 Å²	217	89 Å²	89	94%	0.943	44%	0.442	S	S	*	.			trans	-80.4	49.7	177	-65.7	-174.9	173.8	-174.8	0	112.3
373	S	45.4	Very low	47.1	Very low	52 Å²	52	87.7 Å²	87.7	36%	0.364	43%	0.434	S	S	.	.			trans	-97.7	136.4	170.6	101.6	0	0	0	0	109.4	R371 L375 Y376 E377	R371-S373 PolarHBondContact O-N 2.81Å; S373-L375 PolarHBondContact O-N 3.14Å; S373-Y376 WeakPolarHBondContact O-CB 3.28Å; S373-Y376 PolarHBondContact O-N 3.45Å; S373-Y376 WeakPolarHBondContact OG-CB 3.37Å; S373-Y376 PolarHBondContact OG-N 2.9Å; S373-E377 PolarHBondContact O-N 3.43Å; S373-E377 VanDerWaalsContact O-N 3.13Å
374	E	45.9	Very low	47.7	Very low	173 Å²	173	92.2 Å²	92.2	81%	0.808	45%	0.453	S	S	*	.	H	α-helix	trans	-59.8	-32.3	178.8	-156.5	169.8	-160	0	0	111.4	T378	E374-T378 WeakPolarHBondContact O-CB 3.47Å; E374-T378 PolarHBondContact O-N 3.45Å; E374-T378 VanDerWaalsContact O-N 3.08Å; E374-T378 PolarHBondContact O-OG1 3.48Å
375	L	41.3	Very low	47.7	Very low	72 Å²	72	89.9 Å²	89.9	38%	0.377	45%	0.445	S	S	.	.	H	α-helix	trans	-65	-41.6	172.4	-147	95.3	0	0	0	111.9	S373 T378 V379 L482	S373-L375 PolarHBondContact O-N 3.14Å; L375-T378 PolarHBondContact O-N 2.79Å; L375-V379 VanDerWaalsContact O-CG2 3.28Å; L375-V379 WeakPolarHBondContact O-CG2 3.49Å; L375-V379 PolarHBondContact O-N 2.79Å; L375-L482 HydrophobicContact CD2-CD1 3.8Å
376	Y	47.5	Very low	47.2	Very low	25 Å²	25	83 Å²	83	10%	0.098	42%	0.416	C	S	.	.	H	α-helix	trans	-64.4	-44.2	178.5	167.1	-84.7	0	0	0	111.9	L366 L369 R371 S373 T378 V379 L380	L366-Y376 HydrophobicContact CB-CE2 4Å; L366-Y376 HydrophobicContact CD2-CD2 3.59Å; L366-Y376 HydrophobicContact CD2-CE2 3.66Å; L366-Y376 HydrophobicContact CG-CE2 4.45Å; L366-Y376 WeakPolarHBondContact O-CE2 3.38Å; L366-Y376 VanDerWaalsContact O-CZ 3.24Å; L366-Y376 PolarHBondContact O-OH 3.36Å; L369-Y376 HydrophobicContact CB-CE2 3.89Å; L369-Y376 WeakPolarHBondContact O-CE2 3.41Å; L369-Y376 PolarHBondContact O-OH 2.95Å; R371-Y376 WeakPolarHBondContact O-CD1 3.02Å; S373-Y376 WeakPolarHBondContact O-CB 3.28Å; S373-Y376 PolarHBondContact O-N 3.45Å; S373-Y376 WeakPolarHBondContact OG-CB 3.37Å; S373-Y376 PolarHBondContact OG-N 2.9Å; Y376-T378 VanDerWaalsContact C-N 3.32Å; Y376-T378 PolarHBondContact O-N 3.43Å; Y376-V379 PolarHBondContact O-N 3.41Å; Y376-L380 HydrophobicContact CE1-CD2 4.28Å; Y376-L380 WeakPolarHBondContact O-CB 3.27Å; Y376-L380 PolarHBondContact O-N 2.99Å
377	E	53	Low	47.6	Very low	101 Å²	101	84.7 Å²	84.7	47%	0.472	42%	0.423	S	S	.	.	H	α-helix	trans	-65	-36.4	176	-70	-64.6	159.6	0	0	112.1	S373 T381	S373-E377 PolarHBondContact O-N 3.43Å; S373-E377 VanDerWaalsContact O-N 3.13Å; E377-T381 WeakPolarHBondContact O-CB 3.3Å; E377-T381 PolarHBondContact O-N 3.36Å; E377-T381 PolarHBondContact O-OG1 2.84Å
378	T	50.1	Low	48	Very low	53 Å²	53	87.2 Å²	87.2	33%	0.325	42%	0.424	S	S	.	.	H	α-helix	trans	-65	-47.9	176.6	-57.5	0	0	0	0	111.4	E374 L375 Y376 T381 H382	E374-T378 WeakPolarHBondContact O-CB 3.47Å; E374-T378 PolarHBondContact O-N 3.45Å; E374-T378 VanDerWaalsContact O-N 3.08Å; E374-T378 PolarHBondContact O-OG1 3.48Å; L375-T378 PolarHBondContact O-N 2.79Å; Y376-T378 VanDerWaalsContact C-N 3.32Å; Y376-T378 PolarHBondContact O-N 3.43Å; T378-T381 PolarHBondContact O-N 2.79Å; T378-H382 PolarHBondContact O-N 2.89Å; T378-H382 PolarHBondContact O-ND1 3.43Å
379	V	44.3	Very low	48.2	Very low	22 Å²	22	83.3 Å²	83.3	13%	0.133	40%	0.398	C	S	.	.	H	α-helix	trans	-64.4	-41.9	177.3	177.6	0	0	0	0	111.1	L366 L375 Y376 T381 H382 L383 E478	L366-V379 HydrophobicContact CD1-CB 4.42Å; L366-V379 HydrophobicContact CD1-CG1 3.5Å; L366-V379 VanDerWaalsContact CD1-CG1 3.5Å; L375-V379 VanDerWaalsContact O-CG2 3.28Å; L375-V379 WeakPolarHBondContact O-CG2 3.49Å; L375-V379 PolarHBondContact O-N 2.79Å; Y376-V379 PolarHBondContact O-N 3.41Å; V379-T381 PolarHBondContact O-N 3.26Å; V379-H382 PolarHBondContact O-N 3.45Å; V379-L383 HydrophobicContact CG1-CD1 3.89Å; V379-L383 HydrophobicContact CG1-CG 4.38Å; V379-L383 WeakPolarHBondContact O-CG 3.37Å; V379-L383 PolarHBondContact O-N 3.35Å; V379-E478 WeakPolarHBondContact CG2-OE2 3.46Å
380	L	53.2	Low	48.4	Very low	17 Å²	17	80 Å²	80	9%	0.089	38%	0.381	C	S	.	.	H	α-helix	trans	-63.3	-41.4	177.3	-173.3	67.8	0	0	0	112	L363 L366 Y376 L383 K384	L363-L380 HydrophobicContact CD1-CD1 4.35Å; L366-L380 HydrophobicContact CB-CD1 4.38Å; Y376-L380 HydrophobicContact CE1-CD2 4.28Å; Y376-L380 WeakPolarHBondContact O-CB 3.27Å; Y376-L380 PolarHBondContact O-N 2.99Å; L380-L383 PolarHBondContact O-N 3.17Å; L380-K384 WeakPolarHBondContact O-CB 3.19Å; L380-K384 WeakPolarHBondContact O-CG 3.42Å; L380-K384 PolarHBondContact O-N 2.79Å
381	T	57.6	Low	49.1	Very low	84 Å²	84	72.9 Å²	72.9	52%	0.515	36%	0.362	S	S	.	.	H	α-helix	trans	-64.2	-43.6	176.7	-59.4	0	0	0	0	111.3	E377 T378 V379 K384 S385	E377-T381 WeakPolarHBondContact O-CB 3.3Å; E377-T381 PolarHBondContact O-N 3.36Å; E377-T381 PolarHBondContact O-OG1 2.84Å; T378-T381 PolarHBondContact O-N 2.79Å; V379-T381 PolarHBondContact O-N 3.26Å; T381-K384 PolarHBondContact O-N 2.75Å; T381-S385 WeakPolarHBondContact O-CB 3.17Å; T381-S385 PolarHBondContact O-N 3.04Å
382	H	50.1	Low	49.4	Very low	56 Å²	56	73.2 Å²	73.2	26%	0.259	36%	0.363	S	S	.	.	H	α-helix	trans	-64.9	-45.1	177.6	-76.2	26.7	0	0	0	111.6	T378 V379 K384 S385 V386 L471	T378-H382 PolarHBondContact O-N 2.89Å; T378-H382 PolarHBondContact O-ND1 3.43Å; V379-H382 PolarHBondContact O-N 3.45Å; H382-K384 PolarHBondContact O-N 2.84Å; H382-S385 WeakPolarHBondContact O-CB 3.28Å; H382-S385 PolarHBondContact O-N 3.36Å; H382-V386 WeakPolarHBondContact O-CG2 3.49Å; H382-V386 PolarHBondContact O-N 3.46Å; H382-L471 HydrophobicContact CB-CD2 4.49Å
383	L	45.7	Very low	49.3	Very low	7 Å²	7	64.6 Å²	64.6	4%	0.037	33%	0.327	C	S	.	.	H	α-helix	trans	-65.5	-38.4	178.2	-68.3	170.9	0	0	0	112.4	W355 Y359 V362 L363 L366 V379 L380 V386 E387	W355-L383 VanDerWaalsContact CH2-O 3.22Å; W355-L383 WeakPolarHBondContact CH2-O 3.22Å; W355-L383 HydrophobicContact CZ3-CD2 4.19Å; Y359-L383 HydrophobicContact CD1-CD2 3.91Å; V362-L383 HydrophobicContact CG1-CD1 4.15Å; L363-L383 HydrophobicContact CB-CB 4.45Å; L363-L383 HydrophobicContact CB-CD1 4.34Å; L363-L383 HydrophobicContact CD1-CB 3.43Å; L363-L383 VanDerWaalsContact CD1-CB 3.43Å; L363-L383 HydrophobicContact CD1-CD1 4.45Å; L366-L383 HydrophobicContact CD1-CD1 3.52Å; V379-L383 HydrophobicContact CG1-CD1 3.89Å; V379-L383 HydrophobicContact CG1-CG 4.38Å; V379-L383 WeakPolarHBondContact O-CG 3.37Å; V379-L383 PolarHBondContact O-N 3.35Å; L380-L383 PolarHBondContact O-N 3.17Å; L383-V386 WeakPolarHBondContact O-CB 3.48Å; L383-V386 PolarHBondContact O-N 2.99Å; L383-E387 PolarHBondContact O-N 2.96Å
384	K	60	Low	49.2	Very low	107 Å²	107	65.2 Å²	65.2	47%	0.465	34%	0.335	S	S	.	.	H	α-helix	trans	-64.5	-38.5	173.1	-77.6	-179.1	176.5	179.5	0	113.2	L363 L380 T381 H382 V386 E387 Q388	L363-K384 HydrophobicContact CD1-CG 4.22Å; L380-K384 WeakPolarHBondContact O-CB 3.19Å; L380-K384 WeakPolarHBondContact O-CG 3.42Å; L380-K384 PolarHBondContact O-N 2.79Å; T381-K384 PolarHBondContact O-N 2.75Å; H382-K384 PolarHBondContact O-N 2.84Å; K384-V386 PolarHBondContact O-N 3.01Å; K384-E387 WeakPolarHBondContact O-CB 3.34Å; K384-E387 PolarHBondContact O-N 3.34Å; K384-Q388 WeakPolarHBondContact O-CG 3.36Å; K384-Q388 PolarHBondContact O-N 3.17Å
385	S	52	Low	49.2	Very low	58 Å²	58	59.8 Å²	59.8	41%	0.406	32%	0.316	S	S	.	.	H	α-helix	trans	-63.5	-35.3	174.7	-175.6	0	0	0	0	111.7	T381 H382 S389	T381-S385 WeakPolarHBondContact O-CB 3.17Å; T381-S385 PolarHBondContact O-N 3.04Å; H382-S385 WeakPolarHBondContact O-CB 3.28Å; H382-S385 PolarHBondContact O-N 3.36Å; S385-S389 PolarHBondContact O-N 2.88Å; S385-S389 PolarHBondContact O-OG 2.81Å
386	V	43.1	Very low	49.2	Very low	8 Å²	8	58.9 Å²	58.9	5%	0.048	31%	0.31	C	S	.	.	H	α-helix	trans	-70.8	-41.9	176.3	175.1	0	0	0	0	111	W355 H382 L383 K384 S389 L390 F468 L471	W355-V386 HydrophobicContact CD2-CG1 4.38Å; W355-V386 HydrophobicContact CE3-CB 4.38Å; W355-V386 HydrophobicContact CE3-CG1 3.41Å; W355-V386 VanDerWaalsContact CE3-CG1 3.41Å; W355-V386 HydrophobicContact CH2-CB 4.2Å; W355-V386 HydrophobicContact CH2-CG1 4.05Å; W355-V386 HydrophobicContact CZ3-CB 3.71Å; W355-V386 HydrophobicContact CZ3-CG1 3.22Å; H382-V386 WeakPolarHBondContact O-CG2 3.49Å; H382-V386 PolarHBondContact O-N 3.46Å; L383-V386 WeakPolarHBondContact O-CB 3.48Å; L383-V386 PolarHBondContact O-N 2.99Å; K384-V386 PolarHBondContact O-N 3.01Å; V386-S389 PolarHBondContact O-N 3.41Å; V386-L390 HydrophobicContact CG1-CD1 4.26Å; V386-L390 WeakPolarHBondContact O-CG 3.18Å; V386-L390 PolarHBondContact O-N 3.37Å; V386-F468 HydrophobicContact CB-CE2 4.49Å; V386-F468 HydrophobicContact CG1-CD2 3.49Å; V386-F468 VanDerWaalsContact CG1-CD2 3.49Å; V386-F468 HydrophobicContact CG1-CE2 3.1Å; V386-F468 HydrophobicContact CG1-CZ 4.06Å; V386-L471 HydrophobicContact CG2-CB 4.25Å; V386-L471 HydrophobicContact CG2-CD1 3.92Å
387	E	54.3	Low	48.7	Very low	63 Å²	63	61.2 Å²	61.2	29%	0.294	33%	0.328	S	S	.	.	H	α-helix	trans	-57.5	-51.1	173.6	-170.1	171.2	-141.8	0	0	111.9	W355 L363 L383 K384 S389 L390 D391	W355-E387 HydrophobicContact CH2-CB 3.85Å; W355-E387 HydrophobicContact CZ2-CB 3.49Å; W355-E387 VanDerWaalsContact CZ2-CB 3.49Å; W355-E387 HydrophobicContact CZ2-CG 3.85Å; L363-E387 WeakPolarHBondContact CD2-OE2 3.22Å; L383-E387 PolarHBondContact O-N 2.96Å; K384-E387 WeakPolarHBondContact O-CB 3.34Å; K384-E387 PolarHBondContact O-N 3.34Å; E387-S389 VanDerWaalsContact C-N 3.27Å; E387-S389 PolarHBondContact O-N 2.9Å; E387-L390 PolarHBondContact O-N 2.91Å; E387-L390 VanDerWaalsContact O-N 3.12Å; E387-D391 PolarHBondContact O-N 2.8Å
388	Q	56	Low	48.2	Very low	118 Å²	118	60 Å²	60	55%	0.551	33%	0.33	S	S	*	.	H	α-helix	trans	-61.8	-34	178.5	-72.2	176.5	-10.1	0	0	113.3	K384 R392	K384-Q388 WeakPolarHBondContact O-CG 3.36Å; K384-Q388 PolarHBondContact O-N 3.17Å; Q388-R392 VanDerWaalsContact O-CG 3.32Å; Q388-R392 WeakPolarHBondContact O-CG 3.37Å; Q388-R392 PolarHBondContact O-N 2.73Å
389	S	47.2	Very low	47.9	Very low	31 Å²	31	59.3 Å²	59.3	22%	0.217	33%	0.328	C	S	.	.	H	α-helix	trans	-71.6	-36.3	177.4	-57.6	0	0	0	0	111.1	S385 V386 E387 R392 I393	S385-S389 PolarHBondContact O-N 2.88Å; S385-S389 PolarHBondContact O-OG 2.81Å; V386-S389 PolarHBondContact O-N 3.41Å; E387-S389 VanDerWaalsContact C-N 3.27Å; E387-S389 PolarHBondContact O-N 2.9Å; S389-R392 PolarHBondContact O-N 3.31Å; S389-I393 WeakPolarHBondContact O-CD1 3.16Å; S389-I393 WeakPolarHBondContact O-CG1 3.47Å; S389-I393 PolarHBondContact O-N 3.47Å
390	L	45.8	Very low	47.7	Very low	12 Å²	12	60.8 Å²	60.8	6%	0.063	33%	0.334	C	S	.	.	H	α-helix	trans	-73.3	-35.5	176.5	-74.5	169.2	0	0	0	113.2	V352 W355 V386 E387 R392 I393 A394 F468	V352-L390 HydrophobicContact CG2-CD2 4.05Å; W355-L390 HydrophobicContact CB-CD1 3.39Å; W355-L390 HydrophobicContact CD2-CD1 3.19Å; W355-L390 HydrophobicContact CE3-CD1 3.78Å; W355-L390 HydrophobicContact CG-CD1 3Å; W355-L390 HydrophobicContact CG-CG 4.48Å; V386-L390 HydrophobicContact CG1-CD1 4.26Å; V386-L390 WeakPolarHBondContact O-CG 3.18Å; V386-L390 PolarHBondContact O-N 3.37Å; E387-L390 PolarHBondContact O-N 2.91Å; E387-L390 VanDerWaalsContact O-N 3.12Å; L390-R392 VanDerWaalsContact C-N 3.26Å; L390-R392 PolarHBondContact O-N 3.38Å; L390-I393 CarbonylContact O-C 3.57Å; L390-I393 PolarHBondContact O-N 2.76Å; L390-A394 VanDerWaalsContact O-CB 3.23Å; L390-A394 WeakPolarHBondContact O-CB 3.49Å; L390-A394 PolarHBondContact O-N 2.97Å; L390-F468 HydrophobicContact CD1-CE2 3.57Å; L390-F468 HydrophobicContact CD1-CZ 3.93Å; L390-F468 HydrophobicContact CD2-CE2 3.82Å; L390-F468 HydrophobicContact CD2-CZ 4.13Å; L390-F468 HydrophobicContact CG-CE2 3.71Å; L390-F468 HydrophobicContact CG-CZ 4.34Å
391	D	55.3	Low	47.2	Very low	108 Å²	108	65.1 Å²	65.1	58%	0.578	35%	0.354	S	S	*	.	H	α-helix	trans	-61.4	-38.2	173.5	-72.6	-21.6	0	0	0	111.2	E387 A394 S395	E387-D391 PolarHBondContact O-N 2.8Å; D391-A394 PolarHBondContact O-N 3.4Å; D391-S395 PolarHBondContact O-N 3.5Å
392	R	45.9	Very low	46.6	Very low	154 Å²	154	67.7 Å²	67.7	58%	0.581	36%	0.361	S	S	*	.	H	α-helix	trans	-70	-34.1	174.1	-69	173.7	-176.2	-167.8	-0.4	113.3	Q388 S389 L390 S395	Q388-R392 VanDerWaalsContact O-CG 3.32Å; Q388-R392 WeakPolarHBondContact O-CG 3.37Å; Q388-R392 PolarHBondContact O-N 2.73Å; S389-R392 PolarHBondContact O-N 3.31Å; L390-R392 VanDerWaalsContact C-N 3.26Å; L390-R392 PolarHBondContact O-N 3.38Å; R392-S395 PolarHBondContact O-OG 2.91Å
393	I	41.4	Very low	46	Very low	35 Å²	35	67.4 Å²	67.4	18%	0.179	36%	0.363	C	S	.	.	H	α-helix	trans	-75.9	-30.9	175.2	-68.2	164	0	0	0	110.7	I348 S389 L390 S395 F396 P397	I348-I393 HydrophobicContact CD1-CG2 4.46Å; I348-I393 HydrophobicContact CG2-CG2 3.47Å; I348-I393 VanDerWaalsContact CG2-CG2 3.47Å; S389-I393 WeakPolarHBondContact O-CD1 3.16Å; S389-I393 WeakPolarHBondContact O-CG1 3.47Å; S389-I393 PolarHBondContact O-N 3.47Å; L390-I393 CarbonylContact O-C 3.57Å; L390-I393 PolarHBondContact O-N 2.76Å; I393-S395 VanDerWaalsContact C-N 3.31Å; I393-S395 PolarHBondContact O-N 3.2Å; I393-F396 WeakPolarHBondContact O-CB 3.12Å; I393-F396 PolarHBondContact O-N 3.45Å; I393-F396 VanDerWaalsContact O-N 3.16Å; I393-P397 VanDerWaalsContact O-CD 3.27Å; I393-P397 WeakPolarHBondContact O-CD 3.11Å
394	A	44	Very low	45.7	Very low	65 Å²	65	69.4 Å²	69.4	54%	0.537	38%	0.38	S	S	.	.	H	α-helix	trans	-72.6	-21	179.6	0	0	0	0	0	113.5	L390 D391 F396 P397	L390-A394 VanDerWaalsContact O-CB 3.23Å; L390-A394 WeakPolarHBondContact O-CB 3.49Å; L390-A394 PolarHBondContact O-N 2.97Å; D391-A394 PolarHBondContact O-N 3.4Å; A394-F396 VanDerWaalsContact C-N 3.34Å; A394-P397 WeakPolarHBondContact O-CD 3.24Å
395	S	44.6	Very low	45	Very low	60 Å²	60	68.5 Å²	68.5	42%	0.42	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-8	170	58.1	0	0	0	0	113.8	D391 R392 I393 S398 S399	D391-S395 PolarHBondContact O-N 3.5Å; R392-S395 PolarHBondContact O-OG 2.91Å; I393-S395 VanDerWaalsContact C-N 3.31Å; I393-S395 PolarHBondContact O-N 3.2Å; S395-S398 PolarHBondContact O-OG 3.03Å; S395-S399 PolarHBondContact O-OG 3.44Å
396	F	41.4	Very low	44.4	Very low	53 Å²	53	68.4 Å²	68.4	23%	0.232	38%	0.379	C	S	.	.	H	α-helix	trans	-71.6	-40.3	-178.2	-143.1	-101.7	0	0	0	113.9	I393 A394 S398 S399 L400 V457	I393-F396 WeakPolarHBondContact O-CB 3.12Å; I393-F396 PolarHBondContact O-N 3.45Å; I393-F396 VanDerWaalsContact O-N 3.16Å; A394-F396 VanDerWaalsContact C-N 3.34Å; F396-S398 PolarHBondContact O-N 3.04Å; F396-S399 PolarHBondContact O-N 3.33Å; F396-L400 HydrophobicContact CD1-CD1 3.56Å; F396-L400 HydrophobicContact CD1-CG 4.18Å; F396-L400 HydrophobicContact CE1-CD1 3.76Å; F396-L400 HydrophobicContact CE1-CG 4.21Å; F396-L400 PolarHBondContact O-N 2.78Å; F396-V457 HydrophobicContact CE1-CG1 4.28Å; F396-V457 HydrophobicContact CE2-CG2 4.3Å; F396-V457 HydrophobicContact CZ-CB 4.41Å; F396-V457 HydrophobicContact CZ-CG1 3.61Å; F396-V457 HydrophobicContact CZ-CG2 4.07Å
397	P	38.2	Very low	44	Very low	74 Å²	74	70.9 Å²	70.9	48%	0.481	40%	0.396	S	S	.	.	H	α-helix	trans	-64	-38.3	179	-23.5	33.7	0	0	0	114.2	I393 A394 S399 L400 Q401	I393-P397 VanDerWaalsContact O-CD 3.27Å; I393-P397 WeakPolarHBondContact O-CD 3.11Å; A394-P397 WeakPolarHBondContact O-CD 3.24Å; P397-S399 VanDerWaalsContact C-N 3.28Å; P397-S399 PolarHBondContact O-N 2.89Å; P397-L400 PolarHBondContact O-N 3.2Å; P397-Q401 WeakPolarHBondContact O-CB 3.43Å; P397-Q401 PolarHBondContact O-N 3.04Å
398	S	42.5	Very low	43.5	Very low	74 Å²	74	69.8 Å²	69.8	52%	0.517	40%	0.399	S	S	.	.	H	α-helix	trans	-65.6	-34.7	176	40.8	0	0	0	0	112.1	S395 F396 E402	S395-S398 PolarHBondContact O-OG 3.03Å; F396-S398 PolarHBondContact O-N 3.04Å; S398-E402 PolarHBondContact O-N 3.24Å
399	S	42.3	Very low	42.7	Very low	40 Å²	40	67 Å²	67	28%	0.28	39%	0.392	S	S	.	.	H	α-helix	trans	-76	-35	-179.6	-49.3	0	0	0	0	111.8	S395 F396 P397 V403	S395-S399 PolarHBondContact O-OG 3.44Å; F396-S399 PolarHBondContact O-N 3.33Å; P397-S399 VanDerWaalsContact C-N 3.28Å; P397-S399 PolarHBondContact O-N 2.89Å; S399-V403 WeakPolarHBondContact O-CG2 3.39Å; S399-V403 PolarHBondContact O-N 3.43Å
400	L	40.6	Very low	42.1	Very low	52 Å²	52	66.6 Å²	66.6	27%	0.272	39%	0.388	S	S	.	.	H	α-helix	trans	-72.4	-32	172.4	-79.4	167.7	0	0	0	112.9	F341 F396 P397 V403 A404	F341-L400 HydrophobicContact CD1-CD1 4.41Å; F341-L400 HydrophobicContact CD1-CD2 4.33Å; F341-L400 HydrophobicContact CE1-CD1 4.12Å; F341-L400 HydrophobicContact CE1-CD2 3.47Å; F341-L400 VanDerWaalsContact CE1-CD2 3.47Å; F341-L400 HydrophobicContact CE1-CG 4.47Å; F341-L400 HydrophobicContact CZ-CD2 4.01Å; F396-L400 HydrophobicContact CD1-CD1 3.56Å; F396-L400 HydrophobicContact CD1-CG 4.18Å; F396-L400 HydrophobicContact CE1-CD1 3.76Å; F396-L400 HydrophobicContact CE1-CG 4.21Å; F396-L400 PolarHBondContact O-N 2.78Å; P397-L400 PolarHBondContact O-N 3.2Å; L400-V403 PolarHBondContact O-N 3.29Å; L400-A404 PolarHBondContact O-N 2.93Å
401	Q	42.5	Very low	41.7	Very low	109 Å²	109	72 Å²	72	51%	0.509	41%	0.413	S	S	.	.	H	α-helix	trans	-65.5	-41.7	175.1	-169	66.4	45.1	0	0	111.4	P397 V403 A404 D405	P397-Q401 WeakPolarHBondContact O-CB 3.43Å; P397-Q401 PolarHBondContact O-N 3.04Å; Q401-V403 VanDerWaalsContact C-N 3.28Å; Q401-V403 PolarHBondContact O-N 3.31Å; Q401-A404 PolarHBondContact O-N 3.34Å; Q401-D405 PolarHBondContact NE2-OD1 3.34Å; Q401-D405 WeakPolarHBondContact O-CB 3.35Å; Q401-D405 PolarHBondContact O-N 2.96Å
402	E	45.7	Very low	40.8	Very low	138 Å²	138	71.2 Å²	71.2	65%	0.645	41%	0.408	S	S	*	.	H	α-helix	trans	-60.8	-35.6	174.4	-82.7	-175.4	159.3	0	0	113	S398 S406	S398-E402 PolarHBondContact O-N 3.24Å; E402-S406 VanDerWaalsContact O-CB 3.3Å; E402-S406 WeakPolarHBondContact O-CB 3.47Å; E402-S406 PolarHBondContact O-N 2.89Å; E402-S406 PolarHBondContact O-OG 3.46Å
403	V	37.3	Very low	40.8	Very low	50 Å²	50	67.7 Å²	67.7	30%	0.303	40%	0.398	S	S	.	.	H	α-helix	trans	-70.1	-43.9	175.3	175.8	0	0	0	0	110.8	S399 L400 Q401 S406 C407 F446	S399-V403 WeakPolarHBondContact O-CG2 3.39Å; S399-V403 PolarHBondContact O-N 3.43Å; L400-V403 PolarHBondContact O-N 3.29Å; Q401-V403 VanDerWaalsContact C-N 3.28Å; Q401-V403 PolarHBondContact O-N 3.31Å; V403-S406 PolarHBondContact O-N 3.01Å; V403-C407 PolarHBondContact O-N 2.57Å; V403-C407 PolarHBondContact O-SG 3.39Å; V403-F446 HydrophobicContact CG2-CD2 3.89Å; V403-F446 HydrophobicContact CG2-CE2 3.87Å; V403-F446 HydrophobicContact CG2-CG 4.36Å; V403-F446 HydrophobicContact CG2-CZ 4.35Å
404	A	39.9	Very low	40.5	Very low	49 Å²	49	68.2 Å²	68.2	41%	0.405	40%	0.401	S	S	.	.	H	α-helix	trans	-62.7	-42.1	175.4	0	0	0	0	0	112.1	L400 Q401 S406 C407 A408	L400-A404 PolarHBondContact O-N 2.93Å; Q401-A404 PolarHBondContact O-N 3.34Å; A404-S406 VanDerWaalsContact C-N 3.34Å; A404-C407 PolarHBondContact O-N 3.3Å; A404-A408 WeakPolarHBondContact O-CB 3.47Å; A404-A408 PolarHBondContact O-N 3.44Å
405	D	46	Very low	40.3	Very low	88 Å²	88	71.3 Å²	71.3	47%	0.471	40%	0.404	S	S	.	.	H	α-helix	trans	-66.7	-36.5	176.9	-65.6	-12.8	0	0	0	111.1	Q401 A408 S409	Q401-D405 PolarHBondContact NE2-OD1 3.34Å; Q401-D405 WeakPolarHBondContact O-CB 3.35Å; Q401-D405 PolarHBondContact O-N 2.96Å; D405-A408 PolarHBondContact O-N 3.23Å; D405-S409 WeakPolarHBondContact O-CB 3.15Å; D405-S409 PolarHBondContact O-N 2.95Å
406	S	39	Very low	40.7	Very low	55 Å²	55	75.9 Å²	75.9	39%	0.385	42%	0.419	S	S	.	.	H	α-helix	trans	-66.6	-40.6	173.3	-62.7	0	0	0	0	112.1	E402 V403 A404 V410	E402-S406 VanDerWaalsContact O-CB 3.3Å; E402-S406 WeakPolarHBondContact O-CB 3.47Å; E402-S406 PolarHBondContact O-N 2.89Å; E402-S406 PolarHBondContact O-OG 3.46Å; V403-S406 PolarHBondContact O-N 3.01Å; A404-S406 VanDerWaalsContact C-N 3.34Å; S406-V410 VanDerWaalsContact O-CG2 3.24Å; S406-V410 WeakPolarHBondContact O-CG2 3.37Å; S406-V410 PolarHBondContact O-N 3.09Å
407	C	35.1	Very low	40.8	Very low	60 Å²	60	79.2 Å²	79.2	41%	0.405	44%	0.437	S	S	.	.	H	α-helix	trans	-65.6	-42.2	174.2	-69.8	0	0	0	0	111.8	V403 A404 V410 E411	V403-C407 PolarHBondContact O-N 2.57Å; V403-C407 PolarHBondContact O-SG 3.39Å; A404-C407 PolarHBondContact O-N 3.3Å; C407-V410 WeakPolarHBondContact O-CB 3.2Å; C407-V410 PolarHBondContact O-N 3.33Å; C407-E411 PolarHBondContact O-N 3.28Å
408	A	42.6	Very low	40.7	Very low	41 Å²	41	78 Å²	78	34%	0.339	43%	0.43	S	S	.	.	H	α-helix	trans	-66.3	-37.9	177.1	0	0	0	0	0	112.4	A404 D405 V410 E411 I412	A404-A408 WeakPolarHBondContact O-CB 3.47Å; A404-A408 PolarHBondContact O-N 3.44Å; D405-A408 PolarHBondContact O-N 3.23Å; A408-V410 PolarHBondContact O-N 2.77Å; A408-E411 PolarHBondContact O-N 3.49Å; A408-I412 VanDerWaalsContact O-CG1 3.32Å; A408-I412 WeakPolarHBondContact O-CG1 3.39Å; A408-I412 PolarHBondContact O-N 3.11Å
409	S	40	Very low	40.7	Very low	58 Å²	58	84.1 Å²	84.1	41%	0.406	45%	0.45	S	S	.	.	H	α-helix	trans	-60.4	-36.4	173.2	-178.2	0	0	0	0	112.2	D405 E413	D405-S409 WeakPolarHBondContact O-CB 3.15Å; D405-S409 PolarHBondContact O-N 2.95Å; S409-E413 PolarHBondContact O-N 3.28Å; S409-E413 VanDerWaalsContact O-N 3.11Å
410	V	34	Very low	40.6	Very low	24 Å²	24	85.2 Å²	85.2	15%	0.145	47%	0.468	C	S	.	.	H	α-helix	trans	-74.2	-34.6	179.2	167.9	0	0	0	0	111.3	S406 C407 A408 E413 L414 F435 I439	S406-V410 VanDerWaalsContact O-CG2 3.24Å; S406-V410 WeakPolarHBondContact O-CG2 3.37Å; S406-V410 PolarHBondContact O-N 3.09Å; C407-V410 WeakPolarHBondContact O-CB 3.2Å; C407-V410 PolarHBondContact O-N 3.33Å; A408-V410 PolarHBondContact O-N 2.77Å; V410-E413 PolarHBondContact O-N 2.8Å; V410-L414 WeakPolarHBondContact O-CG 3.46Å; V410-L414 PolarHBondContact O-N 3.02Å; V410-L414 VanDerWaalsContact O-N 3.1Å; V410-F435 HydrophobicContact CB-CE2 4.47Å; V410-F435 HydrophobicContact CG1-CD2 3.73Å; V410-F435 HydrophobicContact CG1-CE2 2.98Å; V410-F435 HydrophobicContact CG1-CZ 3.54Å; V410-I439 HydrophobicContact CG1-CD1 4.46Å
411	E	37	Very low	40.2	Very low	124 Å²	124	84.8 Å²	84.8	58%	0.579	47%	0.469	S	S	*	.	H	α-helix	trans	-65.8	-40.4	172.8	-163.3	170.4	-162.9	0	0	111.8	C407 A408 L414 E415	C407-E411 PolarHBondContact O-N 3.28Å; A408-E411 PolarHBondContact O-N 3.49Å; E411-L414 WeakPolarHBondContact O-CB 2.96Å; E411-L414 PolarHBondContact O-N 2.82Å; E411-E415 PolarHBondContact O-N 2.89Å
412	I	37.8	Very low	39.8	Very low	92 Å²	92	87.5 Å²	87.5	47%	0.472	49%	0.487	S	S	.	.	H	α-helix	trans	-65.5	-43.3	174.6	-65.4	164	0	0	0	111.5	A408 L414 E415 E416	A408-I412 VanDerWaalsContact O-CG1 3.32Å; A408-I412 WeakPolarHBondContact O-CG1 3.39Å; A408-I412 PolarHBondContact O-N 3.11Å; I412-L414 PolarHBondContact O-N 3.45Å; I412-E415 PolarHBondContact O-N 3.25Å; I412-E416 PolarHBondContact O-N 2.94Å
413	E	45.7	Very low	39.6	Very low	80 Å²	80	82.1 Å²	82.1	37%	0.374	47%	0.465	S	S	.	.	H	α-helix	trans	-61.4	-33.6	175.2	-78.3	-177.1	-174.4	0	0	111.9	S409 V410 M417 K438	S409-E413 PolarHBondContact O-N 3.28Å; S409-E413 VanDerWaalsContact O-N 3.11Å; V410-E413 PolarHBondContact O-N 2.8Å; E413-M417 WeakPolarHBondContact O-CG 3.46Å; E413-M417 PolarHBondContact O-N 3.45Å; E413-K438 IonicContact OE2-NZ 3.04Å; E413-K438 PolarHBondContact OE2-NZ 3.2Å
414	L	33.7	Very low	39.5	Very low	47 Å²	47	83.5 Å²	83.5	25%	0.246	47%	0.47	C	S	.	.	H	α-helix	trans	-71.5	-43.3	174.8	-77.2	172.4	0	0	0	112.3	V410 E411 I412 E416 M417 S418 Y427 F435	V410-L414 WeakPolarHBondContact O-CG 3.46Å; V410-L414 PolarHBondContact O-N 3.02Å; V410-L414 VanDerWaalsContact O-N 3.1Å; E411-L414 WeakPolarHBondContact O-CB 2.96Å; E411-L414 PolarHBondContact O-N 2.82Å; I412-L414 PolarHBondContact O-N 3.45Å; L414-E416 VanDerWaalsContact C-N 3.35Å; L414-M417 PolarHBondContact O-N 3.33Å; L414-S418 WeakPolarHBondContact O-CB 3.41Å; L414-S418 PolarHBondContact O-N 3.11Å; L414-S418 VanDerWaalsContact O-N 3.14Å; L414-Y427 PolarHBondContact O-OH 3.49Å; L414-F435 HydrophobicContact CD1-CD2 4.38Å; L414-F435 HydrophobicContact CD1-CE2 3.36Å; L414-F435 HydrophobicContact CD1-CZ 3.68Å; L414-F435 HydrophobicContact CD2-CD2 4.28Å; L414-F435 HydrophobicContact CD2-CE2 4.02Å; L414-F435 HydrophobicContact CG-CD2 4.4Å; L414-F435 HydrophobicContact CG-CE2 3.75Å
415	E	41.4	Very low	39.4	Very low	130 Å²	130	87.7 Å²	87.7	61%	0.607	48%	0.481	S	S	*	.	H	α-helix	trans	-62.8	-40.2	176.5	-75.3	-173.2	162.5	0	0	111.6	E411 I412 M417 S418	E411-E415 PolarHBondContact O-N 2.89Å; I412-E415 PolarHBondContact O-N 3.25Å; E415-M417 VanDerWaalsContact C-N 3.3Å; E415-M417 PolarHBondContact O-N 3.24Å; E415-S418 WeakPolarHBondContact O-CB 3.31Å; E415-S418 PolarHBondContact O-N 2.81Å; E415-S418 VanDerWaalsContact O-N 3.13Å; E415-S418 PolarHBondContact O-OG 3.32Å
416	E	53	Low	39.2	Very low	156 Å²	156	88.7 Å²	88.7	73%	0.729	48%	0.483	S	S	*	.	H	α-helix	trans	-67.7	-26	176.6	-74.3	-173.4	168.9	0	0	113.4	I412 L414	I412-E416 PolarHBondContact O-N 2.94Å; L414-E416 VanDerWaalsContact C-N 3.35Å
417	M	43.4	Very low	39.3	Very low	123 Å²	123	87.4 Å²	87.4	61%	0.606	47%	0.47	S	S	*	.	H	α-helix	trans	-88.8	-5.5	173.2	-66.7	-157	-153.1	0	0	113.9	E413 L414 E415 Y427	E413-M417 WeakPolarHBondContact O-CG 3.46Å; E413-M417 PolarHBondContact O-N 3.45Å; L414-M417 PolarHBondContact O-N 3.33Å; E415-M417 VanDerWaalsContact C-N 3.3Å; E415-M417 PolarHBondContact O-N 3.24Å; M417-Y427 HydrophobicContact CB-CE1 4.1Å
418	S	36.1	Very low	39.8	Very low	49 Å²	49	88.3 Å²	88.3	34%	0.343	48%	0.475	S	S	.	.			trans	-89.9	2.9	-168.7	75.2	0	0	0	0	116	L414 E415 G420 C421	L414-S418 WeakPolarHBondContact O-CB 3.41Å; L414-S418 PolarHBondContact O-N 3.11Å; L414-S418 VanDerWaalsContact O-N 3.14Å; E415-S418 WeakPolarHBondContact O-CB 3.31Å; E415-S418 PolarHBondContact O-N 2.81Å; E415-S418 VanDerWaalsContact O-N 3.13Å; E415-S418 PolarHBondContact O-OG 3.32Å; S418-G420 PolarHBondContact O-N 3.4Å; S418-C421 PolarHBondContact O-N 2.88Å; S418-C421 VanDerWaalsContact O-N 3.17Å
419	E	40.9	Very low	39.9	Very low	201 Å²	201	91 Å²	91	94%	0.939	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	3.2	-179.7	-85.4	-163.2	162.7	0	0	115.6
420	G	41.6	Very low	40.1	Very low	63 Å²	63	91.5 Å²	91.5	65%	0.649	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.5	5.8	169.3	0	0	0	0	0	116.8	S418	S418-G420 PolarHBondContact O-N 3.4Å
421	C	31.4	Very low	40.4	Very low	43 Å²	43	92.8 Å²	92.8	29%	0.291	51%	0.505	S	S	.	.			trans	-130.2	101.1	-169.7	-69.3	0	0	0	0	113.4	S418 S423 Q426 Y427	S418-C421 PolarHBondContact O-N 2.88Å; S418-C421 VanDerWaalsContact O-N 3.17Å; C421-S423 PolarHBondContact O-N 3.4Å; C421-S423 VanDerWaalsContact O-N 3.11Å; C421-Q426 HydrophobicContact CB-CB 3.92Å; C421-Q426 PolarHBondContact SG-OE1 2.82Å; C421-Q426 VanDerWaalsContact SG-OE1 3.37Å; C421-Y427 HydrophobicContact CB-CE2 4.47Å
422	N	34.1	Very low	40.5	Very low	167 Å²	167	89 Å²	89	89%	0.893	49%	0.487	S	S	*	.	S	Bend	trans	-76	12.5	-179.6	-68.3	-23.9	0	0	0	114.3
423	S	41	Very low	40.9	Very low	24 Å²	24	89.7 Å²	89.7	17%	0.168	49%	0.492	C	S	.	.	S	Bend	trans	-160.2	137.4	-176	175.6	0	0	0	0	111.2	C421 Q425 Q426	C421-S423 PolarHBondContact O-N 3.4Å; C421-S423 VanDerWaalsContact O-N 3.11Å; S423-Q425 PolarHBondContact O-N 3.39Å; S423-Q425 WeakPolarHBondContact OG-CB 3.3Å; S423-Q425 WeakPolarHBondContact OG-CG 3.37Å; S423-Q425 PolarHBondContact OG-N 3.49Å; S423-Q425 VanDerWaalsContact OG-N 3.11Å; S423-Q426 PolarHBondContact O-N 2.83Å
424	L	35.5	Very low	40.9	Very low	80 Å²	80	91.4 Å²	91.4	42%	0.419	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-51.3	-23.1	168	-91.6	151	0	0	0	112.8	Q426 Y427 I432	L424-Q426 PolarHBondContact O-N 3.04Å; L424-Y427 PolarHBondContact O-N 2.94Å; L424-I432 WeakPolarHBondContact O-CD1 3.37Å
425	Q	38.4	Very low	41.4	Very low	136 Å²	136	91.6 Å²	91.6	64%	0.636	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-69.3	-15.2	176.7	-63.2	179.2	-8.1	0	0	114.2	S423	S423-Q425 PolarHBondContact O-N 3.39Å; S423-Q425 WeakPolarHBondContact OG-CB 3.3Å; S423-Q425 WeakPolarHBondContact OG-CG 3.37Å; S423-Q425 PolarHBondContact OG-N 3.49Å; S423-Q425 VanDerWaalsContact OG-N 3.11Å
426	Q	41.4	Very low	41.4	Very low	109 Å²	109	90.2 Å²	90.2	51%	0.509	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-91.1	-6.7	-178.6	-61.9	-177.2	0.5	0	0	112.6	C421 S423 L424	C421-Q426 HydrophobicContact CB-CB 3.92Å; C421-Q426 PolarHBondContact SG-OE1 2.82Å; C421-Q426 VanDerWaalsContact SG-OE1 3.37Å; S423-Q426 PolarHBondContact O-N 2.83Å; L424-Q426 PolarHBondContact O-N 3.04Å
427	Y	40.8	Very low	41.1	Very low	29 Å²	29	85.5 Å²	85.5	11%	0.114	47%	0.473	C	S	.	.	S	Bend	trans	-78.5	134.6	174.2	-69.8	-93.7	0	0	0	110	L414 M417 C421 L424 V431 I432	L414-Y427 PolarHBondContact O-OH 3.49Å; M417-Y427 HydrophobicContact CB-CE1 4.1Å; C421-Y427 HydrophobicContact CB-CE2 4.47Å; L424-Y427 PolarHBondContact O-N 2.94Å; Y427-V431 HydrophobicContact CD1-CG1 3.93Å; Y427-I432 WeakPolarHBondContact O-CD1 3.4Å
428	P	47	Very low	41.2	Very low	78 Å²	78	83.8 Å²	83.8	51%	0.506	46%	0.463	S	S	.	.			trans	-54.1	141.3	171.7	-23.7	32.3	0	0	0	110.7	A430 V431 I432	P428-A430 PolarHBondContact O-N 3.19Å; P428-V431 HydrophobicContact CB-CG2 4.28Å; P428-V431 HydrophobicContact CG-CG2 4.27Å; P428-V431 WeakPolarHBondContact O-CB 3.4Å; P428-V431 PolarHBondContact O-N 3.01Å; P428-I432 PolarHBondContact O-N 3.31Å
429	P	43.6	Very low	41.3	Very low	98 Å²	98	83.9 Å²	83.9	64%	0.636	46%	0.459	S	S	*	.	H	α-helix	trans	-52.6	-28.6	-179.4	-28.8	34.1	0	0	0	114.4	I432 N433	P429-I432 PolarHBondContact O-N 2.95Å; P429-N433 VanDerWaalsContact O-CB 3.29Å; P429-N433 WeakPolarHBondContact O-CB 3.32Å; P429-N433 VanDerWaalsContact O-CG 3.28Å; P429-N433 PolarHBondContact O-N 3.28Å; P429-N433 PolarHBondContact O-ND2 3.02Å
430	A	44.3	Very low	41.3	Very low	69 Å²	69	80.6 Å²	80.6	57%	0.57	44%	0.439	S	S	*	.	H	α-helix	trans	-63.9	-39.2	174.8	0	0	0	0	0	113	P428 N433 E434	P428-A430 PolarHBondContact O-N 3.19Å; A430-N433 PolarHBondContact O-N 2.89Å; A430-E434 WeakPolarHBondContact O-CB 3.48Å; A430-E434 PolarHBondContact O-N 3.46Å
431	V	40.9	Very low	41.3	Very low	51 Å²	51	81.7 Å²	81.7	31%	0.309	43%	0.43	S	S	.	.	H	α-helix	trans	-71.3	-40.7	178.4	-177.7	0	0	0	0	110.1	Y427 P428 E434 F435	Y427-V431 HydrophobicContact CD1-CG1 3.93Å; P428-V431 HydrophobicContact CB-CG2 4.28Å; P428-V431 HydrophobicContact CG-CG2 4.27Å; P428-V431 WeakPolarHBondContact O-CB 3.4Å; P428-V431 PolarHBondContact O-N 3.01Å; V431-E434 PolarHBondContact O-N 2.99Å; V431-F435 VanDerWaalsContact O-CB 3.26Å; V431-F435 WeakPolarHBondContact O-CB 3.48Å; V431-F435 PolarHBondContact O-N 3.48Å
432	I	38.3	Very low	41.6	Very low	43 Å²	43	82.8 Å²	82.8	22%	0.221	44%	0.438	C	S	.	.	H	α-helix	trans	-63.3	-43.4	174.5	-63.4	175.8	0	0	0	110.7	L424 Y427 P428 P429 F435 Y436	L424-I432 WeakPolarHBondContact O-CD1 3.37Å; Y427-I432 WeakPolarHBondContact O-CD1 3.4Å; P428-I432 PolarHBondContact O-N 3.31Å; P429-I432 PolarHBondContact O-N 2.95Å; I432-F435 WeakPolarHBondContact O-CB 3.35Å; I432-F435 PolarHBondContact O-N 3.5Å; I432-Y436 HydrophobicContact CG2-CD2 3.58Å; I432-Y436 HydrophobicContact CG2-CE2 3.26Å; I432-Y436 WeakPolarHBondContact O-CD2 3.36Å; I432-Y436 PolarHBondContact O-N 3.48Å
433	N	46	Very low	41.7	Very low	107 Å²	107	78.6 Å²	78.6	57%	0.572	42%	0.415	S	S	*	.	H	α-helix	trans	-68.9	-36.2	177	-78.5	-17.7	0	0	0	113	P429 A430 F435 S437	P429-N433 VanDerWaalsContact O-CB 3.29Å; P429-N433 WeakPolarHBondContact O-CB 3.32Å; P429-N433 VanDerWaalsContact O-CG 3.28Å; P429-N433 PolarHBondContact O-N 3.28Å; P429-N433 PolarHBondContact O-ND2 3.02Å; A430-N433 PolarHBondContact O-N 2.89Å; N433-F435 VanDerWaalsContact C-N 3.33Å; N433-S437 VanDerWaalsContact O-CB 3.24Å; N433-S437 WeakPolarHBondContact O-CB 3.35Å; N433-S437 PolarHBondContact O-N 3.05Å
434	E	46.1	Very low	41.4	Very low	117 Å²	117	79.5 Å²	79.5	55%	0.547	42%	0.421	S	S	.	.	H	α-helix	trans	-65.4	-40.4	173.1	-171.1	178.7	170.7	0	0	111	A430 V431 S437 K438	A430-E434 WeakPolarHBondContact O-CB 3.48Å; A430-E434 PolarHBondContact O-N 3.46Å; V431-E434 PolarHBondContact O-N 2.99Å; E434-S437 PolarHBondContact O-N 3.38Å; E434-K438 PolarHBondContact O-N 3.41Å
435	F	43.6	Very low	41.5	Very low	51 Å²	51	85.6 Å²	85.6	22%	0.224	44%	0.438	C	S	.	.	H	α-helix	trans	-61.5	-50.2	174	-178	-90.9	0	0	0	112.1	V410 L414 V431 I432 N433 S437 K438 I439	V410-F435 HydrophobicContact CB-CE2 4.47Å; V410-F435 HydrophobicContact CG1-CD2 3.73Å; V410-F435 HydrophobicContact CG1-CE2 2.98Å; V410-F435 HydrophobicContact CG1-CZ 3.54Å; L414-F435 HydrophobicContact CD1-CD2 4.38Å; L414-F435 HydrophobicContact CD1-CE2 3.36Å; L414-F435 HydrophobicContact CD1-CZ 3.68Å; L414-F435 HydrophobicContact CD2-CD2 4.28Å; L414-F435 HydrophobicContact CD2-CE2 4.02Å; L414-F435 HydrophobicContact CG-CD2 4.4Å; L414-F435 HydrophobicContact CG-CE2 3.75Å; V431-F435 VanDerWaalsContact O-CB 3.26Å; V431-F435 WeakPolarHBondContact O-CB 3.48Å; V431-F435 PolarHBondContact O-N 3.48Å; I432-F435 WeakPolarHBondContact O-CB 3.35Å; I432-F435 PolarHBondContact O-N 3.5Å; N433-F435 VanDerWaalsContact C-N 3.33Å; F435-S437 VanDerWaalsContact C-N 3.27Å; F435-S437 PolarHBondContact O-N 3.5Å; F435-K438 PolarHBondContact O-N 2.84Å; F435-I439 HydrophobicContact CD1-CD1 3.8Å; F435-I439 HydrophobicContact CE1-CD1 3.24Å; F435-I439 HydrophobicContact CE1-CG1 4.41Å; F435-I439 HydrophobicContact CE2-CD1 4.36Å; F435-I439 HydrophobicContact CZ-CD1 3.56Å; F435-I439 PolarHBondContact O-N 3.03Å
436	Y	42.4	Very low	41.5	Very low	101 Å²	101	81.5 Å²	81.5	40%	0.396	42%	0.418	S	S	.	.	H	α-helix	trans	-57.7	-41.8	173	-80.6	-59.3	0	0	0	111.5	M326 I432 Y440	M326-Y436 WeakPolarHBondContact CE-OH 3.47Å; I432-Y436 HydrophobicContact CG2-CD2 3.58Å; I432-Y436 HydrophobicContact CG2-CE2 3.26Å; I432-Y436 WeakPolarHBondContact O-CD2 3.36Å; I432-Y436 PolarHBondContact O-N 3.48Å; Y436-Y440 WeakPolarHBondContact O-CB 3.43Å; Y436-Y440 PolarHBondContact O-N 2.77Å
437	S	46.1	Very low	41.2	Very low	56 Å²	56	79.5 Å²	79.5	39%	0.392	41%	0.408	S	S	.	.	H	α-helix	trans	-67	-38.2	178.5	-166.6	0	0	0	0	112.3	N433 E434 F435 N441	N433-S437 VanDerWaalsContact O-CB 3.24Å; N433-S437 WeakPolarHBondContact O-CB 3.35Å; N433-S437 PolarHBondContact O-N 3.05Å; E434-S437 PolarHBondContact O-N 3.38Å; F435-S437 VanDerWaalsContact C-N 3.27Å; F435-S437 PolarHBondContact O-N 3.5Å; S437-N441 WeakPolarHBondContact O-CA 3.43Å; S437-N441 WeakPolarHBondContact O-CB 3.26Å; S437-N441 PolarHBondContact O-N 3.38Å; S437-N441 PolarHBondContact O-ND2 3.18Å; S437-N441 PolarHBondContact OG-ND2 3.16Å
438	K	44.9	Very low	40.8	Very low	88 Å²	88	82 Å²	82	38%	0.383	43%	0.43	S	S	.	.	H	α-helix	trans	-64.7	-48.4	175	-78.9	-178.3	178.8	-179.9	0	111.8	E413 E434 F435 N441 S442	E413-K438 IonicContact OE2-NZ 3.04Å; E413-K438 PolarHBondContact OE2-NZ 3.2Å; E434-K438 PolarHBondContact O-N 3.41Å; F435-K438 PolarHBondContact O-N 2.84Å; K438-N441 PolarHBondContact O-N 2.86Å; K438-S442 WeakPolarHBondContact O-CB 3.38Å; K438-S442 PolarHBondContact O-N 2.84Å; K438-S442 PolarHBondContact O-OG 2.85Å
439	I	39.2	Very low	40.3	Very low	51 Å²	51	81.7 Å²	81.7	26%	0.262	43%	0.429	S	S	.	.	H	α-helix	trans	-63.7	-47.8	178	-68.1	178	0	0	0	110.4	V410 F435 S442 I443	V410-I439 HydrophobicContact CG1-CD1 4.46Å; F435-I439 HydrophobicContact CD1-CD1 3.8Å; F435-I439 HydrophobicContact CE1-CD1 3.24Å; F435-I439 HydrophobicContact CE1-CG1 4.41Å; F435-I439 HydrophobicContact CE2-CD1 4.36Å; F435-I439 HydrophobicContact CZ-CD1 3.56Å; F435-I439 PolarHBondContact O-N 3.03Å; I439-S442 PolarHBondContact O-N 2.96Å; I439-I443 HydrophobicContact CG2-CD1 3.62Å; I439-I443 HydrophobicContact CG2-CG1 4.41Å; I439-I443 WeakPolarHBondContact O-CB 3.34Å; I439-I443 VanDerWaalsContact O-CG1 3.25Å; I439-I443 WeakPolarHBondContact O-CG1 3.43Å; I439-I443 PolarHBondContact O-N 3.48Å
440	Y	41.2	Very low	39.8	Very low	131 Å²	131	80.7 Å²	80.7	51%	0.514	44%	0.437	S	S	.	.	H	α-helix	trans	-63.4	-42.6	178.5	-174.9	-92.2	0	0	0	111.9	Y436 I443 S444	Y436-Y440 WeakPolarHBondContact O-CB 3.43Å; Y436-Y440 PolarHBondContact O-N 2.77Å; Y440-I443 PolarHBondContact O-N 3.45Å; Y440-S444 WeakPolarHBondContact O-CA 3.34Å; Y440-S444 WeakPolarHBondContact O-CB 3.3Å; Y440-S444 PolarHBondContact O-N 3.24Å
441	N	41.6	Very low	39.5	Very low	87 Å²	87	85.8 Å²	85.8	47%	0.465	45%	0.449	S	S	.	.	H	α-helix	trans	-67.9	-34.5	177.2	-74.9	-30.1	0	0	0	112	S437 K438 R445	S437-N441 WeakPolarHBondContact O-CA 3.43Å; S437-N441 WeakPolarHBondContact O-CB 3.26Å; S437-N441 PolarHBondContact O-N 3.38Å; S437-N441 PolarHBondContact O-ND2 3.18Å; S437-N441 PolarHBondContact OG-ND2 3.16Å; K438-N441 PolarHBondContact O-N 2.86Å; N441-R445 WeakPolarHBondContact O-CB 3.37Å; N441-R445 PolarHBondContact O-N 3.29Å
442	S	36.5	Very low	39.3	Very low	65 Å²	65	85.5 Å²	85.5	46%	0.455	45%	0.447	S	S	.	.	H	α-helix	trans	-69.2	-45.3	174.7	-75.1	0	0	0	0	111.9	K438 I439 F446	K438-S442 WeakPolarHBondContact O-CB 3.38Å; K438-S442 PolarHBondContact O-N 2.84Å; K438-S442 PolarHBondContact O-OG 2.85Å; I439-S442 PolarHBondContact O-N 2.96Å; S442-F446 VanDerWaalsContact O-CB 3.26Å; S442-F446 WeakPolarHBondContact O-CB 3.44Å; S442-F446 PolarHBondContact O-N 3.01Å; S442-F446 VanDerWaalsContact O-N 3.08Å
443	I	36	Very low	39.3	Very low	80 Å²	80	87.1 Å²	87.1	41%	0.41	45%	0.454	S	S	.	.	H	α-helix	trans	-63	-48.4	174	-71	174.5	0	0	0	109.9	I439 Y440 F446 F447	I439-I443 HydrophobicContact CG2-CD1 3.62Å; I439-I443 HydrophobicContact CG2-CG1 4.41Å; I439-I443 WeakPolarHBondContact O-CB 3.34Å; I439-I443 VanDerWaalsContact O-CG1 3.25Å; I439-I443 WeakPolarHBondContact O-CG1 3.43Å; I439-I443 PolarHBondContact O-N 3.48Å; Y440-I443 PolarHBondContact O-N 3.45Å; I443-F446 WeakPolarHBondContact O-CB 3.24Å; I443-F446 PolarHBondContact O-N 2.96Å; I443-F446 VanDerWaalsContact O-N 3.15Å; I443-F447 HydrophobicContact CG2-CD2 3.58Å; I443-F447 HydrophobicContact CG2-CE2 3.77Å; I443-F447 WeakPolarHBondContact O-CB 3.44Å; I443-F447 WeakPolarHBondContact O-CD2 3.39Å; I443-F447 PolarHBondContact O-N 2.84Å
444	S	34.8	Very low	38.8	Very low	42 Å²	42	86.9 Å²	86.9	29%	0.294	45%	0.449	S	S	.	.	H	α-helix	trans	-63.6	-47.3	179.9	-173	0	0	0	0	111.1	Y440 F446 F447 S448	Y440-S444 WeakPolarHBondContact O-CA 3.34Å; Y440-S444 WeakPolarHBondContact O-CB 3.3Å; Y440-S444 PolarHBondContact O-N 3.24Å; S444-F446 PolarHBondContact O-N 3.45Å; S444-F447 CarbonylContact O-C 3.56Å; S444-F447 PolarHBondContact O-N 2.74Å; S444-S448 WeakPolarHBondContact O-CA 3.48Å; S444-S448 WeakPolarHBondContact O-CB 3.48Å; S444-S448 PolarHBondContact O-N 3.27Å; S444-S448 PolarHBondContact O-OG 2.91Å
445	R	38.1	Very low	38.1	Very low	208 Å²	208	84.3 Å²	84.3	79%	0.785	44%	0.437	S	S	*	.	H	α-helix	trans	-55.1	-37.5	172.1	-104.6	-179.2	155.7	171.2	-5.4	113	N441	N441-R445 WeakPolarHBondContact O-CB 3.37Å; N441-R445 PolarHBondContact O-N 3.29Å
446	F	38	Very low	37.6	Very low	50 Å²	50	84.6 Å²	84.6	22%	0.219	44%	0.44	C	S	.	.	H	α-helix	trans	-70.9	-32.4	179.5	-174.7	-95.2	0	0	0	112.2	V403 S442 I443 S444	V403-F446 HydrophobicContact CG2-CD2 3.89Å; V403-F446 HydrophobicContact CG2-CE2 3.87Å; V403-F446 HydrophobicContact CG2-CG 4.36Å; V403-F446 HydrophobicContact CG2-CZ 4.35Å; S442-F446 VanDerWaalsContact O-CB 3.26Å; S442-F446 WeakPolarHBondContact O-CB 3.44Å; S442-F446 PolarHBondContact O-N 3.01Å; S442-F446 VanDerWaalsContact O-N 3.08Å; I443-F446 WeakPolarHBondContact O-CB 3.24Å; I443-F446 PolarHBondContact O-N 2.96Å; I443-F446 VanDerWaalsContact O-N 3.15Å; S444-F446 PolarHBondContact O-N 3.45Å
447	F	36.1	Very low	37.3	Very low	67 Å²	67	80.9 Å²	80.9	29%	0.294	43%	0.428	S	S	.	.	H	α-helix	trans	-100.3	-18.4	-176.5	-74.6	-60.5	0	0	0	114.6	I443 S444 Q454	I443-F447 HydrophobicContact CG2-CD2 3.58Å; I443-F447 HydrophobicContact CG2-CE2 3.77Å; I443-F447 WeakPolarHBondContact O-CB 3.44Å; I443-F447 WeakPolarHBondContact O-CD2 3.39Å; I443-F447 PolarHBondContact O-N 2.84Å; S444-F447 CarbonylContact O-C 3.56Å; S444-F447 PolarHBondContact O-N 2.74Å; F447-Q454 VanDerWaalsContact CB-OE1 3.27Å; F447-Q454 VanDerWaalsContact CG-NE2 3.25Å
448	S	32.8	Very low	36.7	Very low	83 Å²	83	81.9 Å²	81.9	58%	0.58	43%	0.429	S	S	*	.	S	Bend	trans	-100.7	1.7	-177.9	76.5	0	0	0	0	113.7	S444 G450	S444-S448 WeakPolarHBondContact O-CA 3.48Å; S444-S448 WeakPolarHBondContact O-CB 3.48Å; S444-S448 PolarHBondContact O-N 3.27Å; S444-S448 PolarHBondContact O-OG 2.91Å; S448-G450 PolarHBondContact O-N 3.36Å
449	S	35.5	Very low	36.1	Very low	70 Å²	70	82.8 Å²	82.8	49%	0.49	44%	0.437	S	S	.	.	S	Bend	trans	-73.6	2.4	179.3	62.8	0	0	0	0	114.2	E451	S449-E451 PolarHBondContact O-N 3Å; S449-E451 VanDerWaalsContact O-N 3.15Å
450	G	34.2	Very low	35.8	Very low	77 Å²	77	84.1 Å²	84.1	79%	0.794	44%	0.441	S	S	*	.	S	Bend	trans	72.5	1.6	173.6	0	0	0	0	0	115.4	S448	S448-G450 PolarHBondContact O-N 3.36Å
451	E	37.5	Very low	35.4	Very low	176 Å²	176	79.2 Å²	79.2	82%	0.822	43%	0.428	S	S	*	.	S	Bend	trans	-102.8	-7.8	-177.9	-68.4	-166.7	151	0	0	114.7	S449	S449-E451 PolarHBondContact O-N 3Å; S449-E451 VanDerWaalsContact O-N 3.15Å
452	V	36.5	Very low	35	Very low	45 Å²	45	78.7 Å²	78.7	27%	0.273	43%	0.428	S	S	.	.	S	Bend	trans	-133.4	98.2	-176.6	-173.8	0	0	0	0	109	Q454 V457	V452-Q454 PolarHBondContact O-N 2.87Å; V452-Q454 VanDerWaalsContact O-N 3.09Å; V452-V457 HydrophobicContact CG1-CG2 3.16Å
453	E	38.6	Very low	34.9	Very low	77 Å²	77	78.1 Å²	78.1	36%	0.36	42%	0.421	S	S	.	.			trans	-50.7	119.9	167.6	-101.2	-174.5	-172.6	0	0	107	R186 E455 M456 V457	R186-E453 IonicContact CZ-OE1 3.61Å; R186-E453 IonicContact NH1-OE1 2.77Å; R186-E453 PolarHBondContact NH1-OE1 3.37Å; R186-E453 VanDerWaalsContact NH1-OE1 3.17Å; E453-E455 PolarHBondContact O-N 2.94Å; E453-E455 VanDerWaalsContact O-N 3.16Å; E453-M456 HydrophobicContact CB-CB 3.66Å; E453-M456 HydrophobicContact CB-CE 3.91Å; E453-M456 HydrophobicContact CB-CG 3.36Å; E453-M456 HydrophobicContact CB-SD 4.03Å; E453-M456 HydrophobicContact CG-CE 3.8Å; E453-M456 HydrophobicContact CG-CG 4.19Å; E453-M456 VanDerWaalsContact O-CA 3.28Å; E453-M456 WeakPolarHBondContact O-CA 3.48Å; E453-M456 VanDerWaalsContact O-CB 3.28Å; E453-M456 WeakPolarHBondContact O-CB 3.41Å; E453-M456 PolarHBondContact O-N 2.81Å; E453-M456 WeakPolarHBondContact OE2-CE 3.21Å; E453-M456 WeakPolarHBondContact OE2-CG 3.22Å; E453-V457 PolarHBondContact O-N 3.49Å
454	Q	34.4	Very low	34.9	Very low	103 Å²	103	75 Å²	75	48%	0.481	41%	0.408	S	S	.	.	H	α-helix	trans	-58.9	-27.3	178.3	-152.4	97.2	8	0	0	111.5	F447 V452	F447-Q454 VanDerWaalsContact CB-OE1 3.27Å; F447-Q454 VanDerWaalsContact CG-NE2 3.25Å; V452-Q454 PolarHBondContact O-N 2.87Å; V452-Q454 VanDerWaalsContact O-N 3.09Å
455	E	31.4	Very low	35	Very low	63 Å²	63	74.9 Å²	74.9	29%	0.294	41%	0.409	S	S	.	.	H	α-helix	trans	-74	-28.8	167.4	-78.5	-172.2	141.1	0	0	112.8	V190 E453 L459	V190-E455 HydrophobicContact CB-CG 4.43Å; V190-E455 HydrophobicContact CG1-CG 3.61Å; V190-E455 HydrophobicContact CG2-CG 3.89Å; V190-E455 WeakPolarHBondContact CG2-OE1 3.34Å; V190-E455 WeakPolarHBondContact CG2-OE2 3.49Å; E453-E455 PolarHBondContact O-N 2.94Å; E453-E455 VanDerWaalsContact O-N 3.16Å; E455-L459 WeakPolarHBondContact O-CA 3.29Å; E455-L459 WeakPolarHBondContact O-CB 3.49Å; E455-L459 PolarHBondContact O-N 3.46Å
456	M	34.3	Very low	35.1	Very low	56 Å²	56	70.1 Å²	70.1	28%	0.276	40%	0.397	S	S	.	.	H	α-helix	trans	-70.8	-23.1	174.4	-74.2	-167.2	-151.1	0	0	113	E453 F460	E453-M456 HydrophobicContact CB-CB 3.66Å; E453-M456 HydrophobicContact CB-CE 3.91Å; E453-M456 HydrophobicContact CB-CG 3.36Å; E453-M456 HydrophobicContact CB-SD 4.03Å; E453-M456 HydrophobicContact CG-CE 3.8Å; E453-M456 HydrophobicContact CG-CG 4.19Å; E453-M456 VanDerWaalsContact O-CA 3.28Å; E453-M456 WeakPolarHBondContact O-CA 3.48Å; E453-M456 VanDerWaalsContact O-CB 3.28Å; E453-M456 WeakPolarHBondContact O-CB 3.41Å; E453-M456 PolarHBondContact O-N 2.81Å; E453-M456 WeakPolarHBondContact OE2-CE 3.21Å; E453-M456 WeakPolarHBondContact OE2-CG 3.22Å; M456-F460 HydrophobicContact CB-CB 4.36Å; M456-F460 HydrophobicContact CB-CD2 3.54Å; M456-F460 HydrophobicContact CB-CE2 4.05Å; M456-F460 HydrophobicContact CB-CG 3.98Å; M456-F460 HydrophobicContact CE-CE2 4.13Å; M456-F460 HydrophobicContact CE-CZ 4.3Å; M456-F460 HydrophobicContact CG-CD2 3.25Å; M456-F460 HydrophobicContact CG-CE2 3.24Å; M456-F460 HydrophobicContact CG-CG 4.1Å; M456-F460 HydrophobicContact CG-CZ 4.09Å; M456-F460 WeakPolarHBondContact O-CA 3.41Å; M456-F460 WeakPolarHBondContact O-CB 3.41Å; M456-F460 PolarHBondContact O-N 3.46Å; M456-F460 HydrophobicContact SD-CD2 3.78Å; M456-F460 HydrophobicContact SD-CE1 4.11Å; M456-F460 HydrophobicContact SD-CE2 3.28Å; M456-F460 WeakPolarHBondContact SD-CE2 3.47Å; M456-F460 HydrophobicContact SD-CG 4.36Å; M456-F460 HydrophobicContact SD-CZ 3.47Å; M456-F460 WeakPolarHBondContact SD-CZ 3.46Å
457	V	35.4	Very low	35.3	Very low	23 Å²	23	73.1 Å²	73.1	14%	0.139	41%	0.412	C	S	.	.	H	α-helix	trans	-71.3	-51.1	-176.8	176.8	0	0	0	0	112	F396 V452 E453 A461	F396-V457 HydrophobicContact CE1-CG1 4.28Å; F396-V457 HydrophobicContact CE2-CG2 4.3Å; F396-V457 HydrophobicContact CZ-CB 4.41Å; F396-V457 HydrophobicContact CZ-CG1 3.61Å; F396-V457 HydrophobicContact CZ-CG2 4.07Å; V452-V457 HydrophobicContact CG1-CG2 3.16Å; E453-V457 PolarHBondContact O-N 3.49Å; V457-A461 VanDerWaalsContact O-CB 3.26Å; V457-A461 WeakPolarHBondContact O-CB 3.48Å; V457-A461 PolarHBondContact O-N 3.26Å; V457-A461 VanDerWaalsContact O-N 3.17Å
458	D	34.1	Very low	35.4	Very low	78 Å²	78	70.7 Å²	70.7	42%	0.417	40%	0.401	S	S	.	.	H	α-helix	trans	-87.6	-29.6	-178.6	-68.7	-26.9	0	0	0	112.2	W344	W344-D458 WeakPolarHBondContact CH2-OD1 3.11Å
459	L	31.9	Very low	36	Very low	107 Å²	107	71.2 Å²	71.2	56%	0.56	40%	0.397	S	S	*	.	H	α-helix	trans	-84.6	-36	173.4	-147	76.1	0	0	0	111.6	E455 T463	E455-L459 WeakPolarHBondContact O-CA 3.29Å; E455-L459 WeakPolarHBondContact O-CB 3.49Å; E455-L459 PolarHBondContact O-N 3.46Å; L459-T463 WeakPolarHBondContact CG-OG1 3.31Å; L459-T463 WeakPolarHBondContact O-CA 3.26Å; L459-T463 WeakPolarHBondContact O-CB 3.2Å; L459-T463 PolarHBondContact O-N 3.3Å; L459-T463 PolarHBondContact O-OG1 3.1Å
460	F	33.3	Very low	36.6	Very low	78 Å²	78	74.3 Å²	74.3	34%	0.342	40%	0.402	S	S	.	.	H	α-helix	trans	-71.2	-39.8	169.9	-87.1	-135.7	0	0	0	111.6	M456 V462 A464	M456-F460 HydrophobicContact CB-CB 4.36Å; M456-F460 HydrophobicContact CB-CD2 3.54Å; M456-F460 HydrophobicContact CB-CE2 4.05Å; M456-F460 HydrophobicContact CB-CG 3.98Å; M456-F460 HydrophobicContact CE-CE2 4.13Å; M456-F460 HydrophobicContact CE-CZ 4.3Å; M456-F460 HydrophobicContact CG-CD2 3.25Å; M456-F460 HydrophobicContact CG-CE2 3.24Å; M456-F460 HydrophobicContact CG-CG 4.1Å; M456-F460 HydrophobicContact CG-CZ 4.09Å; M456-F460 WeakPolarHBondContact O-CA 3.41Å; M456-F460 WeakPolarHBondContact O-CB 3.41Å; M456-F460 PolarHBondContact O-N 3.46Å; M456-F460 HydrophobicContact SD-CD2 3.78Å; M456-F460 HydrophobicContact SD-CE1 4.11Å; M456-F460 HydrophobicContact SD-CE2 3.28Å; M456-F460 WeakPolarHBondContact SD-CE2 3.47Å; M456-F460 HydrophobicContact SD-CG 4.36Å; M456-F460 HydrophobicContact SD-CZ 3.47Å; M456-F460 WeakPolarHBondContact SD-CZ 3.46Å; F460-V462 VanDerWaalsContact C-N 3.34Å; F460-V462 PolarHBondContact O-N 3.48Å; F460-A464 HydrophobicContact CB-CB 4.13Å; F460-A464 HydrophobicContact CD1-CB 4.28Å; F460-A464 HydrophobicContact CG-CB 4.41Å; F460-A464 WeakPolarHBondContact O-CA 3.16Å; F460-A464 WeakPolarHBondContact O-CB 3.39Å; F460-A464 PolarHBondContact O-N 2.82Å
461	A	32.6	Very low	37.1	Very low	29 Å²	29	72.6 Å²	72.6	24%	0.24	37%	0.374	C	S	.	.	H	α-helix	trans	-62.8	-44.4	-176.8	0	0	0	0	0	111.4	V457 A465	V457-A461 VanDerWaalsContact O-CB 3.26Å; V457-A461 WeakPolarHBondContact O-CB 3.48Å; V457-A461 PolarHBondContact O-N 3.26Å; V457-A461 VanDerWaalsContact O-N 3.17Å; A461-A465 WeakPolarHBondContact O-CB 3.42Å; A461-A465 PolarHBondContact O-N 3.29Å
462	V	33.3	Very low	37.6	Very low	76 Å²	76	64.9 Å²	64.9	46%	0.461	34%	0.339	S	S	.	.	H	α-helix	trans	-83	-45.5	178.8	-179.9	0	0	0	0	112.2	F460 A465 M466	F460-V462 VanDerWaalsContact C-N 3.34Å; F460-V462 PolarHBondContact O-N 3.48Å; V462-A465 PolarHBondContact O-N 3.07Å; V462-M466 HydrophobicContact CG1-SD 4.08Å; V462-M466 VanDerWaalsContact O-CB 3.25Å; V462-M466 WeakPolarHBondContact O-CB 3.33Å; V462-M466 VanDerWaalsContact O-CG 3.23Å; V462-M466 WeakPolarHBondContact O-CG 3.45Å; V462-M466 PolarHBondContact O-N 3.39Å
463	T	35	Very low	38.3	Very low	52 Å²	52	68.9 Å²	68.9	32%	0.319	36%	0.355	S	S	.	.	H	α-helix	trans	-78.6	-31	-179.6	-40.9	0	0	0	0	111.8	L459 H467	L459-T463 WeakPolarHBondContact CG-OG1 3.31Å; L459-T463 WeakPolarHBondContact O-CA 3.26Å; L459-T463 WeakPolarHBondContact O-CB 3.2Å; L459-T463 PolarHBondContact O-N 3.3Å; L459-T463 PolarHBondContact O-OG1 3.1Å; T463-H467 WeakPolarHBondContact O-CA 3.32Å; T463-H467 WeakPolarHBondContact O-CB 3.49Å; T463-H467 PolarHBondContact O-N 3.29Å
464	A	35.1	Very low	39	Very low	16 Å²	16	69.9 Å²	69.9	13%	0.132	36%	0.358	C	S	.	.	H	α-helix	trans	-73.4	-37.8	165.7	0	0	0	0	0	110.7	F460 M466 H467 F468	F460-A464 HydrophobicContact CB-CB 4.13Å; F460-A464 HydrophobicContact CD1-CB 4.28Å; F460-A464 HydrophobicContact CG-CB 4.41Å; F460-A464 WeakPolarHBondContact O-CA 3.16Å; F460-A464 WeakPolarHBondContact O-CB 3.39Å; F460-A464 PolarHBondContact O-N 2.82Å; A464-M466 VanDerWaalsContact C-N 3.33Å; A464-M466 PolarHBondContact O-N 3.49Å; A464-H467 PolarHBondContact O-N 2.95Å; A464-F468 WeakPolarHBondContact O-CA 3.32Å; A464-F468 WeakPolarHBondContact O-CB 3.35Å; A464-F468 PolarHBondContact O-N 3.03Å
465	A	36.7	Very low	39.4	Very low	38 Å²	38	65.9 Å²	65.9	31%	0.314	34%	0.342	S	S	.	.	H	α-helix	trans	-61.7	-39.9	170.2	0	0	0	0	0	112.4	A461 V462 N469	A461-A465 WeakPolarHBondContact O-CB 3.42Å; A461-A465 PolarHBondContact O-N 3.29Å; V462-A465 PolarHBondContact O-N 3.07Å; A465-N469 VanDerWaalsContact O-CB 3.32Å; A465-N469 WeakPolarHBondContact O-CB 3.21Å; A465-N469 PolarHBondContact O-N 3Å
466	M	40.5	Very low	40.4	Very low	109 Å²	109	66.6 Å²	66.6	54%	0.537	35%	0.345	S	S	.	.	H	α-helix	trans	-72.2	-39.8	174.6	-75.2	177.7	63.7	0	0	113.1	V462 A464 N469 K470	V462-M466 HydrophobicContact CG1-SD 4.08Å; V462-M466 VanDerWaalsContact O-CB 3.25Å; V462-M466 WeakPolarHBondContact O-CB 3.33Å; V462-M466 VanDerWaalsContact O-CG 3.23Å; V462-M466 WeakPolarHBondContact O-CG 3.45Å; V462-M466 PolarHBondContact O-N 3.39Å; A464-M466 VanDerWaalsContact C-N 3.33Å; A464-M466 PolarHBondContact O-N 3.49Å; M466-N469 PolarHBondContact O-N 2.93Å; M466-K470 WeakPolarHBondContact O-CB 3.35Å; M466-K470 WeakPolarHBondContact O-CG 2.81Å; M466-K470 PolarHBondContact O-N 3Å
467	H	41.8	Very low	41.9	Very low	112 Å²	112	70.7 Å²	70.7	52%	0.519	36%	0.362	S	S	.	.	H	α-helix	trans	-67.6	-42.2	174.6	-106.4	-62.1	0	0	0	110.5	T463 A464 K470 L471	T463-H467 WeakPolarHBondContact O-CA 3.32Å; T463-H467 WeakPolarHBondContact O-CB 3.49Å; T463-H467 PolarHBondContact O-N 3.29Å; A464-H467 PolarHBondContact O-N 2.95Å; H467-K470 PolarHBondContact O-N 3.2Å; H467-L471 WeakPolarHBondContact O-CB 3.32Å; H467-L471 WeakPolarHBondContact O-CG 3.38Å; H467-L471 PolarHBondContact O-N 2.85Å
468	F	39	Very low	42.7	Very low	17 Å²	17	71 Å²	71	8%	0.075	36%	0.361	C	S	.	.	H	α-helix	trans	-58.8	-50.4	173.6	-172.3	-94.8	0	0	0	108.9	A351 W355 V386 L390 A464 K470 L471 L472	A351-F468 HydrophobicContact CB-CD1 4.07Å; A351-F468 HydrophobicContact CB-CE1 3.82Å; W355-F468 HydrophobicContact CB-CZ 4.08Å; W355-F468 HydrophobicContact CE3-CE2 4.48Å; V386-F468 HydrophobicContact CB-CE2 4.49Å; V386-F468 HydrophobicContact CG1-CD2 3.49Å; V386-F468 VanDerWaalsContact CG1-CD2 3.49Å; V386-F468 HydrophobicContact CG1-CE2 3.1Å; V386-F468 HydrophobicContact CG1-CZ 4.06Å; L390-F468 HydrophobicContact CD1-CE2 3.57Å; L390-F468 HydrophobicContact CD1-CZ 3.93Å; L390-F468 HydrophobicContact CD2-CE2 3.82Å; L390-F468 HydrophobicContact CD2-CZ 4.13Å; L390-F468 HydrophobicContact CG-CE2 3.71Å; L390-F468 HydrophobicContact CG-CZ 4.34Å; A464-F468 WeakPolarHBondContact O-CA 3.32Å; A464-F468 WeakPolarHBondContact O-CB 3.35Å; A464-F468 PolarHBondContact O-N 3.03Å; F468-K470 PolarHBondContact O-N 3.46Å; F468-L471 PolarHBondContact O-N 2.93Å; F468-L472 HydrophobicContact CD1-CD1 3.21Å; F468-L472 HydrophobicContact CD2-CD1 4.12Å; F468-L472 HydrophobicContact CE1-CD1 3.19Å; F468-L472 HydrophobicContact CE1-CD2 4.24Å; F468-L472 HydrophobicContact CE1-CG 4.38Å; F468-L472 HydrophobicContact CE2-CD1 4.13Å; F468-L472 HydrophobicContact CG-CD1 3.66Å; F468-L472 HydrophobicContact CZ-CD1 3.65Å; F468-L472 WeakPolarHBondContact O-CB 3.26Å; F468-L472 WeakPolarHBondContact O-CD1 3.34Å; F468-L472 PolarHBondContact O-N 3.24Å
469	N	45.5	Very low	43.5	Very low	93 Å²	93	70.2 Å²	70.2	50%	0.497	36%	0.357	S	S	.	.	H	α-helix	trans	-61.6	-41.1	176.3	-131.9	-10.6	0	0	0	112.8	A465 M466 L472 Q473	A465-N469 VanDerWaalsContact O-CB 3.32Å; A465-N469 WeakPolarHBondContact O-CB 3.21Å; A465-N469 PolarHBondContact O-N 3Å; M466-N469 PolarHBondContact O-N 2.93Å; N469-L472 PolarHBondContact O-N 3.37Å; N469-Q473 WeakPolarHBondContact O-CB 3.42Å; N469-Q473 VanDerWaalsContact O-CG 3.26Å; N469-Q473 WeakPolarHBondContact O-CG 3.48Å; N469-Q473 PolarHBondContact O-N 3.02Å
470	K	48.6	Very low	45.2	Very low	135 Å²	135	68.1 Å²	68.1	59%	0.587	35%	0.347	S	S	*	.	H	α-helix	trans	-65.4	-40.2	174.5	-81.7	-178.9	177.2	176.5	0	112.6	M466 H467 F468 Q473 K474	M466-K470 WeakPolarHBondContact O-CB 3.35Å; M466-K470 WeakPolarHBondContact O-CG 2.81Å; M466-K470 PolarHBondContact O-N 3Å; H467-K470 PolarHBondContact O-N 3.2Å; F468-K470 PolarHBondContact O-N 3.46Å; K470-Q473 PolarHBondContact O-N 3Å; K470-K474 WeakPolarHBondContact O-CB 3.44Å; K470-K474 PolarHBondContact O-N 2.76Å
471	L	44.8	Very low	46.3	Very low	41 Å²	41	69 Å²	69	22%	0.215	35%	0.352	C	S	.	.	H	α-helix	trans	-68.9	-39.8	177.1	-75.8	167.2	0	0	0	110.8	H382 V386 H467 F468 K474 A475	H382-L471 HydrophobicContact CB-CD2 4.49Å; V386-L471 HydrophobicContact CG2-CB 4.25Å; V386-L471 HydrophobicContact CG2-CD1 3.92Å; H467-L471 WeakPolarHBondContact O-CB 3.32Å; H467-L471 WeakPolarHBondContact O-CG 3.38Å; H467-L471 PolarHBondContact O-N 2.85Å; F468-L471 PolarHBondContact O-N 2.93Å; L471-K474 PolarHBondContact O-N 3.35Å; L471-A475 VanDerWaalsContact O-CB 3.24Å; L471-A475 WeakPolarHBondContact O-CB 3.27Å; L471-A475 PolarHBondContact O-N 3.12Å
472	L	46.5	Very low	46.9	Very low	15 Å²	15	70.8 Å²	70.8	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-59.2	-51	170.8	-94.9	89	0	0	0	111.1	A354 Y359 F468 N469 K474 A475 Q476	A354-L472 HydrophobicContact CB-CD2 4.42Å; Y359-L472 HydrophobicContact CD1-CG 4.36Å; Y359-L472 HydrophobicContact CD2-CD2 3.82Å; Y359-L472 HydrophobicContact CD2-CG 3.98Å; Y359-L472 HydrophobicContact CE1-CB 4.25Å; Y359-L472 HydrophobicContact CE1-CD2 4.3Å; Y359-L472 HydrophobicContact CE1-CG 3.73Å; Y359-L472 HydrophobicContact CE2-CB 4.37Å; Y359-L472 HydrophobicContact CE2-CD1 4.35Å; Y359-L472 HydrophobicContact CE2-CD2 3.01Å; Y359-L472 HydrophobicContact CE2-CG 3.36Å; Y359-L472 HydrophobicContact CG-CG 4.48Å; Y359-L472 WeakPolarHBondContact OH-CB 3.37Å; Y359-L472 VanDerWaalsContact OH-CD2 3.3Å; Y359-L472 WeakPolarHBondContact OH-CD2 3.4Å; Y359-L472 VanDerWaalsContact OH-CG 3.31Å; Y359-L472 WeakPolarHBondContact OH-CG 3.17Å; Y359-L472 PolarHBondContact OH-O 3.46Å; F468-L472 HydrophobicContact CD1-CD1 3.21Å; F468-L472 HydrophobicContact CD2-CD1 4.12Å; F468-L472 HydrophobicContact CE1-CD1 3.19Å; F468-L472 HydrophobicContact CE1-CD2 4.24Å; F468-L472 HydrophobicContact CE1-CG 4.38Å; F468-L472 HydrophobicContact CE2-CD1 4.13Å; F468-L472 HydrophobicContact CG-CD1 3.66Å; F468-L472 HydrophobicContact CZ-CD1 3.65Å; F468-L472 WeakPolarHBondContact O-CB 3.26Å; F468-L472 WeakPolarHBondContact O-CD1 3.34Å; F468-L472 PolarHBondContact O-N 3.24Å; N469-L472 PolarHBondContact O-N 3.37Å; L472-K474 VanDerWaalsContact C-N 3.31Å; L472-K474 PolarHBondContact O-N 3.08Å; L472-A475 PolarHBondContact O-N 2.9Å; L472-Q476 VanDerWaalsContact O-CB 3.3Å; L472-Q476 WeakPolarHBondContact O-CB 3.28Å; L472-Q476 PolarHBondContact O-N 2.93Å
473	Q	50.9	Low	48.2	Very low	129 Å²	129	73 Å²	73	60%	0.603	36%	0.36	S	S	*	.	H	α-helix	trans	-61	-39.4	178.2	-74.8	175.1	-3.2	0	0	112.4	N469 K470 K477	N469-Q473 WeakPolarHBondContact O-CB 3.42Å; N469-Q473 VanDerWaalsContact O-CG 3.26Å; N469-Q473 WeakPolarHBondContact O-CG 3.48Å; N469-Q473 PolarHBondContact O-N 3.02Å; K470-Q473 PolarHBondContact O-N 3Å; Q473-K477 WeakPolarHBondContact O-CB 3.1Å; Q473-K477 PolarHBondContact O-N 3.44Å
474	K	53.4	Low	49.1	Very low	97 Å²	97	77.6 Å²	77.6	42%	0.422	38%	0.382	S	S	.	.	H	α-helix	trans	-68.4	-45.5	176.5	-168.1	-179	175.6	-164.7	0	111.6	K470 L471 L472 Q476 K477 E478	K470-K474 WeakPolarHBondContact O-CB 3.44Å; K470-K474 PolarHBondContact O-N 2.76Å; L471-K474 PolarHBondContact O-N 3.35Å; L472-K474 VanDerWaalsContact C-N 3.31Å; L472-K474 PolarHBondContact O-N 3.08Å; K474-Q476 VanDerWaalsContact C-N 3.32Å; K474-Q476 PolarHBondContact O-N 3.48Å; K474-K477 PolarHBondContact O-N 3.03Å; K474-E478 VanDerWaalsContact CE-OE1 3.32Å; K474-E478 WeakPolarHBondContact CE-OE1 3.46Å; K474-E478 PolarHBondContact O-N 3Å
475	A	44.1	Very low	49.6	Very low	19 Å²	19	84.1 Å²	84.1	16%	0.157	41%	0.414	C	S	.	.	H	α-helix	trans	-61.8	-39.2	175.6	0	0	0	0	0	111.8	Y359 L471 L472 L479	Y359-A475 HydrophobicContact CE1-CB 4.19Å; L471-A475 VanDerWaalsContact O-CB 3.24Å; L471-A475 WeakPolarHBondContact O-CB 3.27Å; L471-A475 PolarHBondContact O-N 3.12Å; L472-A475 PolarHBondContact O-N 2.9Å; A475-L479 WeakPolarHBondContact O-CB 3.36Å; A475-L479 PolarHBondContact O-N 2.91Å
476	Q	51.9	Low	49.8	Very low	78 Å²	78	90.1 Å²	90.1	36%	0.364	44%	0.44	S	S	.	.	H	α-helix	trans	-60.7	-47.8	173.7	-169.3	82.6	19.9	0	0	111.3	L472 K474 L479 D480	L472-Q476 VanDerWaalsContact O-CB 3.3Å; L472-Q476 WeakPolarHBondContact O-CB 3.28Å; L472-Q476 PolarHBondContact O-N 2.93Å; K474-Q476 VanDerWaalsContact C-N 3.32Å; K474-Q476 PolarHBondContact O-N 3.48Å; Q476-L479 WeakPolarHBondContact O-CB 3.39Å; Q476-L479 PolarHBondContact O-N 2.9Å; Q476-D480 PolarHBondContact O-N 2.51Å
477	K	65.2	Low	50.2	Low	142 Å²	142	89.2 Å²	89.2	62%	0.617	44%	0.435	S	S	*	.	H	α-helix	trans	-63.5	-43	179.8	-170.3	177.3	-178.5	178.3	0	112.3	Q473 K474 D480 Q481	Q473-K477 WeakPolarHBondContact O-CB 3.1Å; Q473-K477 PolarHBondContact O-N 3.44Å; K474-K477 PolarHBondContact O-N 3.03Å; K477-D480 PolarHBondContact O-N 3.44Å; K477-Q481 WeakPolarHBondContact O-CG 3.34Å; K477-Q481 PolarHBondContact O-N 3.19Å
478	E	53.6	Low	50.7	Low	29 Å²	29	87.9 Å²	87.9	14%	0.136	43%	0.431	C	S	.	.	H	α-helix	trans	-68.5	-37.4	175.9	-71.1	-178.4	-165.3	0	0	111.7	V379 K474 Q481 L482	V379-E478 WeakPolarHBondContact CG2-OE2 3.46Å; K474-E478 VanDerWaalsContact CE-OE1 3.32Å; K474-E478 WeakPolarHBondContact CE-OE1 3.46Å; K474-E478 PolarHBondContact O-N 3Å; E478-Q481 PolarHBondContact O-N 3.22Å; E478-L482 WeakPolarHBondContact O-CB 3.21Å; E478-L482 PolarHBondContact O-N 3.13Å
479	L	50	Low	51.3	Low	62 Å²	62	91.9 Å²	91.9	33%	0.325	45%	0.45	S	S	.	.	H	α-helix	trans	-62.5	-42.6	173.6	-170.6	83.1	0	0	0	111.6	V362 A475 Q476 L482 K483	V362-L479 HydrophobicContact CG1-CD1 4.31Å; A475-L479 WeakPolarHBondContact O-CB 3.36Å; A475-L479 PolarHBondContact O-N 2.91Å; Q476-L479 WeakPolarHBondContact O-CB 3.39Å; Q476-L479 PolarHBondContact O-N 2.9Å; L479-L482 PolarHBondContact O-N 3.16Å; L479-K483 WeakPolarHBondContact O-CG 3.5Å; L479-K483 PolarHBondContact O-N 2.85Å
480	D	67.2	Low	51.7	Low	64 Å²	64	91.8 Å²	91.8	34%	0.342	45%	0.448	S	S	.	.	H	α-helix	trans	-70.3	-33.9	178.4	-69.2	-25.5	0	0	0	112	Q476 K477 L482 K483 L484	Q476-D480 PolarHBondContact O-N 2.51Å; K477-D480 PolarHBondContact O-N 3.44Å; D480-L482 VanDerWaalsContact C-N 3.34Å; D480-K483 PolarHBondContact O-N 3.01Å; D480-K483 IonicContact OD1-NZ 2.84Å; D480-K483 PolarHBondContact OD1-NZ 3.27Å; D480-L484 WeakPolarHBondContact O-CG 3.46Å; D480-L484 PolarHBondContact O-N 3.42Å; D480-L484 VanDerWaalsContact O-N 3.12Å
481	Q	55.8	Low	51.9	Low	97 Å²	97	89.1 Å²	89.1	45%	0.453	44%	0.439	S	S	.	.	H	α-helix	trans	-63.2	-39.6	168.3	-76.7	179.7	-14.2	0	0	112.3	K477 E478 L484 L485	K477-Q481 WeakPolarHBondContact O-CG 3.34Å; K477-Q481 PolarHBondContact O-N 3.19Å; E478-Q481 PolarHBondContact O-N 3.22Å; Q481-L484 WeakPolarHBondContact O-CB 3.33Å; Q481-L484 PolarHBondContact O-N 3.36Å; Q481-L485 PolarHBondContact O-N 3.27Å
482	L	46.1	Very low	52.3	Low	65 Å²	65	92.3 Å²	92.3	34%	0.34	45%	0.454	S	S	.	.	H	α-helix	trans	-71.7	-33.8	179.6	-148.5	128.5	0	0	0	112	L375 E478 L479 D480 L484 L485 L486	L375-L482 HydrophobicContact CD2-CD1 3.8Å; E478-L482 WeakPolarHBondContact O-CB 3.21Å; E478-L482 PolarHBondContact O-N 3.13Å; L479-L482 PolarHBondContact O-N 3.16Å; D480-L482 VanDerWaalsContact C-N 3.34Å; L482-L484 VanDerWaalsContact C-N 3.28Å; L482-L485 PolarHBondContact O-N 2.89Å; L482-L486 HydrophobicContact CD2-CD1 3.75Å; L482-L486 HydrophobicContact CD2-CG 4.46Å; L482-L486 WeakPolarHBondContact O-CG 3.47Å; L482-L486 PolarHBondContact O-N 3.04Å; L482-L486 VanDerWaalsContact O-N 3.16Å
483	K	60.2	Low	52.8	Low	122 Å²	122	97.9 Å²	97.9	53%	0.53	48%	0.481	S	S	.	.	H	α-helix	trans	-66.5	-25.9	169.2	-72.2	175.1	-165.2	153.7	0	113.4	L479 D480 L486	L479-K483 WeakPolarHBondContact O-CG 3.5Å; L479-K483 PolarHBondContact O-N 2.85Å; D480-K483 PolarHBondContact O-N 3.01Å; D480-K483 IonicContact OD1-NZ 2.84Å; D480-K483 PolarHBondContact OD1-NZ 3.27Å; K483-L486 VanDerWaalsContact O-OXT 3.14Å
484	L	53.9	Low	52.9	Low	150 Å²	150	95.5 Å²	95.5	79%	0.785	47%	0.471	S	S	*	.	H	α-helix	trans	-80	-23.5	175.3	-83.2	159.5	0	0	0	112.8	D480 Q481 L482	D480-L484 WeakPolarHBondContact O-CG 3.46Å; D480-L484 PolarHBondContact O-N 3.42Å; D480-L484 VanDerWaalsContact O-N 3.12Å; Q481-L484 WeakPolarHBondContact O-CB 3.33Å; Q481-L484 PolarHBondContact O-N 3.36Å; L482-L484 VanDerWaalsContact C-N 3.28Å
485	L	46.6	Very low	52.9	Low	152 Å²	152	95.3 Å²	95.3	80%	0.796	48%	0.475	S	S	*	.	H	α-helix	trans	-92.1	-20.6	179.5	-75.6	166.1	0	0	0	113.8	Q481 L482	Q481-L485 PolarHBondContact O-N 3.27Å; L482-L485 PolarHBondContact O-N 2.89Å
486	L	39.7	Very low	53.7	Low	164 Å²	164	102.3 Å²	102.3	86%	0.859	50%	0.504	S	S	*	.			trans	-93.6	0	173.2	-73.5	172	0	0	0	110.3	L482 K483	L482-L486 HydrophobicContact CD2-CD1 3.75Å; L482-L486 HydrophobicContact CD2-CG 4.46Å; L482-L486 WeakPolarHBondContact O-CG 3.47Å; L482-L486 PolarHBondContact O-N 3.04Å; L482-L486 VanDerWaalsContact O-N 3.16Å; K483-L486 VanDerWaalsContact O-OXT 3.14Å

Retrieved 486 of 486 residues in 457.8 ms (Link to these results)

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