A0A096LNY6_HUMAN Loading...

Adenylosuccinate lyase

Catalyzes two non-sequential steps in de novo AMP synthesis: converts (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido)succinate (SAICAR) to fumarate plus 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide, and thereby also contributes to de novo IMP synthesis, and converts succinyladenosine monophosphate (SAMP) to AMP and fumarate.

AlphaFold DB , UniProt , Accession A0A096LNY6, Species HUMAN (Homo sapiens, Human), Gene ADSL, Length 498 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	27.2	Very low	51.8	Low	243 Å²	243	110.5 Å²	110.5	100%	1.197	72%	0.717	S	S	*	*				0	102.3	0	-67	-175.5	-158.7	0	0	106.4	A3	M1-A3 PolarHBondContact O-N 2.84Å
2	A	26.8	Very low	54.7	Low	107 Å²	107	108.3 Å²	108.3	88%	0.884	71%	0.706	S	S	*	*			trans	-69.4	114.7	-178.9	0	0	0	0	0	108.4	G4	A2-G4 PolarHBondContact O-N 3.3Å; A2-G4 VanDerWaalsContact O-N 3.09Å
3	A	28.9	Very low	57	Low	102 Å²	102	113.9 Å²	113.9	84%	0.843	71%	0.706	S	S	*	*			trans	-66.5	107.1	169.7	0	0	0	0	0	107.2	M1 G5	M1-A3 PolarHBondContact O-N 2.84Å; A3-G5 PolarHBondContact O-N 2.91Å
4	G	30.8	Very low	58.9	Low	74 Å²	74	112.7 Å²	112.7	76%	0.763	68%	0.682	S	S	*	*			trans	-60.3	107.5	171.9	0	0	0	0	0	108.7	A2	A2-G4 PolarHBondContact O-N 3.3Å; A2-G4 VanDerWaalsContact O-N 3.09Å
5	G	38.5	Very low	60.8	Low	44 Å²	44	107.4 Å²	107.4	45%	0.454	65%	0.652	S	S	.	*			trans	-63	142.5	169.4	0	0	0	0	0	109.1	A3 H7	A3-G5 PolarHBondContact O-N 2.91Å; G5-H7 PolarHBondContact O-CD2 3.22Å; G5-H7 PolarHBondContact O-N 3.22Å
6	D	44.8	Very low	62.5	Low	163 Å²	163	104.3 Å²	104.3	87%	0.872	63%	0.634	S	S	*	*			trans	-62.8	85.3	172.1	-171.6	13.9	0	0	0	108.7	G8	D6-G8 PolarHBondContact O-N 3.04Å
7	H	53.9	Low	64	Low	132 Å²	132	98.6 Å²	98.6	61%	0.611	60%	0.6	S	S	*	*			trans	-72.2	85.4	174.6	-60.2	-63.1	0	0	0	105.9	G5	G5-H7 PolarHBondContact O-CD2 3.22Å; G5-H7 PolarHBondContact O-N 3.22Å
8	G	67.9	Low	65.2	Low	33 Å²	33	96.5 Å²	96.5	34%	0.34	59%	0.594	S	S	.	*			trans	-44.8	166.9	-173.2	0	0	0	0	0	114.9	D6 R14	D6-G8 PolarHBondContact O-N 3.04Å; G8-R14 WeakPolarHBondContact O-CD 3.46Å; G8-R14 VanDerWaalsContact O-CZ 3.32Å; G8-R14 PolarHBondContact O-NE 2.77Å; G8-R14 PolarHBondContact O-NH1 2.75Å
9	S	80.8	Confident	66.2	Low	65 Å²	65	94 Å²	94	46%	0.455	58%	0.581	S	S	.	*			trans	-47.8	132.9	-164.9	-179.7	0	0	0	0	115.1	D11 R14	S9-D11 PolarHBondContact O-N 3.03Å; S9-D11 PolarHBondContact OG-N 3.26Å; S9-D11 PolarHBondContact OG-OD2 3.01Å; S9-R14 WeakPolarHBondContact O-CD 3.4Å; S9-R14 PolarHBondContact O-NE 3.46Å
10	P	82.9	Confident	67.2	Low	100 Å²	100	95.1 Å²	95.1	65%	0.649	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-12.5	174.1	31.4	-36.3	0	0	0	113.6	S12	P10-S12 VanDerWaalsContact C-N 3.26Å; P10-S12 PolarHBondContact O-N 2.79Å
11	D	87.1	Confident	68.2	Low	153 Å²	153	93.8 Å²	93.8	82%	0.818	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-9.6	-177.4	-55.4	-27.6	0	0	0	113	S9	S9-D11 PolarHBondContact O-N 3.03Å; S9-D11 PolarHBondContact OG-N 3.26Å; S9-D11 PolarHBondContact OG-OD2 3.01Å
12	S	86.4	Confident	71.2	Confident	84 Å²	84	82.9 Å²	82.9	59%	0.587	51%	0.508	S	S	*	.	S	Bend	trans	-120	157.6	178	-171.2	0	0	0	0	111.7	P10 R14	P10-S12 VanDerWaalsContact C-N 3.26Å; P10-S12 PolarHBondContact O-N 2.79Å; S12-R14 PolarHBondContact O-N 3.18Å
13	Y	84.9	Confident	74.4	Confident	181 Å²	181	78.3 Å²	78.3	71%	0.71	47%	0.469	S	S	*	.			trans	-58.9	132.9	172.1	168.7	-97.5	0	0	0	110.3
14	R	83.6	Confident	77.5	Confident	97 Å²	97	78.1 Å²	78.1	37%	0.366	46%	0.459	S	S	.	.			trans	-129.5	135	174.2	-65.5	175.9	-64.9	162.1	6	108.2	G8 S9 S12	G8-R14 WeakPolarHBondContact O-CD 3.46Å; G8-R14 VanDerWaalsContact O-CZ 3.32Å; G8-R14 PolarHBondContact O-NE 2.77Å; G8-R14 PolarHBondContact O-NH1 2.75Å; S9-R14 WeakPolarHBondContact O-CD 3.4Å; S9-R14 PolarHBondContact O-NE 3.46Å; S12-R14 PolarHBondContact O-N 3.18Å
15	S	86.8	Confident	80.6	Confident	33 Å²	33	79.7 Å²	79.7	23%	0.231	45%	0.447	C	S	.	.			trans	-59.2	128.4	174.1	179.3	0	0	0	0	109.4	L17 A18 S19	S15-L17 PolarHBondContact O-N 3.23Å; S15-L17 WeakPolarHBondContact OG-CB 3.29Å; S15-L17 PolarHBondContact OG-N 3.02Å; S15-A18 PolarHBondContact O-N 2.95Å; S15-S19 PolarHBondContact O-N 2.86Å; S15-S19 VanDerWaalsContact O-N 3.09Å; S15-S19 PolarHBondContact O-OG 3.42Å
16	P	88.3	Confident	83.3	Confident	57 Å²	57	77.6 Å²	77.6	37%	0.37	43%	0.425	S	S	.	.	H	α-helix	trans	-65.2	-22.7	175.2	27.9	-34.4	0	0	0	111.2	S19 R20 Y21	P16-S19 WeakPolarHBondContact CA-OG 3.43Å; P16-R20 WeakPolarHBondContact O-CA 3.25Å; P16-R20 VanDerWaalsContact O-CB 3.24Å; P16-R20 WeakPolarHBondContact O-CB 3.38Å; P16-R20 PolarHBondContact O-N 3.41Å; P16-Y21 HydrophobicContact CB-CD2 4.16Å; P16-Y21 HydrophobicContact CB-CE2 3.87Å; P16-Y21 VanDerWaalsContact O-CD2 3.29Å; P16-Y21 WeakPolarHBondContact O-CD2 3.5Å; P16-Y21 PolarHBondContact O-N 2.74Å
17	L	88.9	Confident	85.6	Confident	8 Å²	8	71.5 Å²	71.5	4%	0.042	40%	0.395	C	S	.	.	I	π-helix	trans	-60.9	-45.4	174.7	-65.9	171.9	0	0	0	111.3	S15 Y21 A22 L307 E357 L360	S15-L17 PolarHBondContact O-N 3.23Å; S15-L17 WeakPolarHBondContact OG-CB 3.29Å; S15-L17 PolarHBondContact OG-N 3.02Å; L17-Y21 HydrophobicContact CD2-CD2 4.31Å; L17-Y21 PolarHBondContact O-N 3.2Å; L17-A22 WeakPolarHBondContact O-CB 3.48Å; L17-A22 PolarHBondContact O-N 2.98Å; L17-L307 HydrophobicContact CD2-CD2 4.31Å; L17-E357 HydrophobicContact CD1-CB 3.78Å; L17-E357 HydrophobicContact CD1-CG 3.68Å; L17-L360 HydrophobicContact CB-CB 4.14Å; L17-L360 HydrophobicContact CB-CD1 4.25Å; L17-L360 HydrophobicContact CD1-CB 4.39Å
18	A	85.4	Confident	87.5	Confident	61 Å²	61	69.6 Å²	69.6	50%	0.504	39%	0.385	S	S	.	.	I	π-helix	trans	-78.5	-40.4	178.9	0	0	0	0	0	113.2	S15	S15-A18 PolarHBondContact O-N 2.95Å
19	S	84.3	Confident	88.8	Confident	49 Å²	49	68.6 Å²	68.6	34%	0.343	37%	0.372	S	S	.	.	I	π-helix	trans	-85.7	-19	-172.1	55.7	0	0	0	0	114.8	S15 P16	S15-S19 PolarHBondContact O-N 2.86Å; S15-S19 VanDerWaalsContact O-N 3.09Å; S15-S19 PolarHBondContact O-OG 3.42Å; P16-S19 WeakPolarHBondContact CA-OG 3.43Å
20	R	84.9	Confident	89.4	Confident	115 Å²	115	67.6 Å²	67.6	43%	0.434	36%	0.36	S	S	.	.	I	π-helix	trans	-132.8	-28.5	-169.2	-164.3	179.3	169.5	73.6	6.7	114.7	P16 L498	P16-R20 WeakPolarHBondContact O-CA 3.25Å; P16-R20 VanDerWaalsContact O-CB 3.24Å; P16-R20 WeakPolarHBondContact O-CB 3.38Å; P16-R20 PolarHBondContact O-N 3.41Å; R20-L498 HydrophobicContact CB-CD1 4.44Å; R20-L498 HydrophobicContact CG-CD1 3.59Å; R20-L498 WeakPolarHBondContact O-CD1 3.33Å
21	Y	89.7	Confident	89.7	Confident	69 Å²	69	64.3 Å²	64.3	27%	0.271	34%	0.339	S	S	.	.	I	π-helix	trans	-120.4	-57.8	-158.9	-69.7	-41	0	0	0	115.1	P16 L17 L307 T364	P16-Y21 HydrophobicContact CB-CD2 4.16Å; P16-Y21 HydrophobicContact CB-CE2 3.87Å; P16-Y21 VanDerWaalsContact O-CD2 3.29Å; P16-Y21 WeakPolarHBondContact O-CD2 3.5Å; P16-Y21 PolarHBondContact O-N 2.74Å; L17-Y21 HydrophobicContact CD2-CD2 4.31Å; L17-Y21 PolarHBondContact O-N 3.2Å; Y21-L307 HydrophobicContact CD2-CD2 4.49Å; Y21-L307 HydrophobicContact CE2-CD2 4.49Å; Y21-T364 VanDerWaalsContact C-OG1 3.3Å; Y21-T364 WeakPolarHBondContact CB-OG1 3.44Å; Y21-T364 HydrophobicContact CD1-CG2 4.3Å; Y21-T364 HydrophobicContact CG-CG2 4.16Å; Y21-T364 PolarHBondContact O-OG1 3.28Å
22	A	90.6	Very high	89.8	Confident	14 Å²	14	61 Å²	61	12%	0.116	32%	0.321	C	S	.	.	S	Bend	trans	-75.8	155.5	-170.9	0	0	0	0	0	112.2	L17 L360 T364	L17-A22 WeakPolarHBondContact O-CB 3.48Å; L17-A22 PolarHBondContact O-N 2.98Å; A22-L360 HydrophobicContact CB-CB 3.9Å; A22-L360 HydrophobicContact CB-CD2 3.39Å; A22-L360 HydrophobicContact CB-CG 4.24Å; A22-T364 WeakPolarHBondContact CA-OG1 3.46Å; A22-T364 PolarHBondContact N-OG1 3.01Å
23	S	93.4	Very high	90.1	Very high	10 Å²	10	62.1 Å²	62.1	7%	0.07	31%	0.313	C	S	.	.			trans	-69.4	150.6	178.2	60.6	0	0	0	0	112.6	E25 M26 C27 K134 D363	S23-E25 VanDerWaalsContact CB-OE2 3.26Å; S23-E25 WeakPolarHBondContact CB-OE2 3.31Å; S23-E25 PolarHBondContact O-N 3.45Å; S23-E25 PolarHBondContact OG-OE2 3Å; S23-M26 PolarHBondContact O-N 3.43Å; S23-M26 VanDerWaalsContact O-N 3.17Å; S23-C27 PolarHBondContact O-N 3.07Å; S23-C27 PolarHBondContact O-SG 3.3Å; S23-K134 PolarHBondContact OG-NZ 3.3Å; S23-D363 WeakPolarHBondContact CB-OD2 3.06Å; S23-D363 PolarHBondContact N-OD2 3Å; S23-D363 VanDerWaalsContact OG-CG 3.26Å; S23-D363 PolarHBondContact OG-OD1 3.08Å; S23-D363 PolarHBondContact OG-OD2 3.32Å
24	P	93.8	Very high	90.6	Very high	98 Å²	98	54.9 Å²	54.9	64%	0.636	28%	0.284	S	S	*	.	H	α-helix	trans	-55.8	-34.8	177.8	-25	34.7	0	0	0	113	C27 F28	P24-C27 PolarHBondContact O-N 2.87Å; P24-F28 WeakPolarHBondContact O-CB 2.94Å; P24-F28 PolarHBondContact O-N 3.2Å
25	E	95	Very high	91	Very high	108 Å²	108	50.6 Å²	50.6	51%	0.505	27%	0.269	S	S	.	.	H	α-helix	trans	-65.8	-45	179.9	-57.9	74.8	-159.3	0	0	111.2	S23 F28 V29 L130	S23-E25 VanDerWaalsContact CB-OE2 3.26Å; S23-E25 WeakPolarHBondContact CB-OE2 3.31Å; S23-E25 PolarHBondContact O-N 3.45Å; S23-E25 PolarHBondContact OG-OE2 3Å; E25-F28 PolarHBondContact O-N 3.28Å; E25-V29 WeakPolarHBondContact O-CG2 3.47Å; E25-V29 PolarHBondContact O-N 3.16Å; E25-V29 VanDerWaalsContact O-N 3.09Å; E25-L130 HydrophobicContact CB-CD1 4.19Å; E25-L130 HydrophobicContact CB-CD2 4.4Å
26	M	95.9	Very high	91.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.9	-41.5	177.4	-168.9	62.7	73.7	0	0	111.4	S23 F28 V29 F30 A127 L130 L131 F359 L360 D363	S23-M26 PolarHBondContact O-N 3.43Å; S23-M26 VanDerWaalsContact O-N 3.17Å; M26-F28 VanDerWaalsContact C-N 3.28Å; M26-F28 PolarHBondContact O-N 3.38Å; M26-V29 PolarHBondContact O-N 2.87Å; M26-F30 HydrophobicContact CG-CD2 4.43Å; M26-F30 HydrophobicContact CG-CE2 4.5Å; M26-F30 PolarHBondContact O-N 3Å; M26-F30 HydrophobicContact SD-CD2 4.16Å; M26-F30 HydrophobicContact SD-CE2 3.79Å; M26-A127 HydrophobicContact CE-CB 4.29Å; M26-A127 HydrophobicContact SD-CB 3.8Å; M26-L130 HydrophobicContact CE-CB 3.71Å; M26-L130 HydrophobicContact CE-CD1 4.01Å; M26-L130 HydrophobicContact SD-CD1 4.18Å; M26-L131 HydrophobicContact CE-CD2 3.75Å; M26-L131 HydrophobicContact CE-CG 3.97Å; M26-F359 HydrophobicContact SD-CB 4.01Å; M26-L360 HydrophobicContact CB-CD2 4.18Å; M26-L360 HydrophobicContact CG-CD2 3.74Å; M26-L360 HydrophobicContact CG-CG 4.39Å; M26-D363 HydrophobicContact CB-CB 4.18Å; M26-D363 HydrophobicContact CE-CB 4.07Å; M26-D363 HydrophobicContact CG-CB 3.99Å
27	C	93.5	Very high	91.7	Very high	35 Å²	35	51 Å²	51	24%	0.236	26%	0.258	C	S	.	.	H	α-helix	trans	-58.6	-40.3	173.5	-71.8	0	0	0	0	111.9	S23 P24 F30 S31	S23-C27 PolarHBondContact O-N 3.07Å; S23-C27 PolarHBondContact O-SG 3.3Å; P24-C27 PolarHBondContact O-N 2.87Å; C27-F30 PolarHBondContact O-N 3.33Å; C27-S31 PolarHBondContact O-N 3.5Å; C27-S31 VanDerWaalsContact O-N 3.15Å
28	F	94.5	Very high	92.2	Very high	91 Å²	91	51 Å²	51	40%	0.399	26%	0.258	S	S	.	.	H	α-helix	trans	-66.7	-41.7	178	179.1	-107.4	0	0	0	112.3	P24 E25 M26 F30 S31 Y34	P24-F28 WeakPolarHBondContact O-CB 2.94Å; P24-F28 PolarHBondContact O-N 3.2Å; E25-F28 PolarHBondContact O-N 3.28Å; M26-F28 VanDerWaalsContact C-N 3.28Å; M26-F28 PolarHBondContact O-N 3.38Å; F28-F30 PolarHBondContact O-N 3.49Å; F28-S31 VanDerWaalsContact O-CB 3.26Å; F28-S31 WeakPolarHBondContact O-CB 3.32Å; F28-S31 PolarHBondContact O-N 3.37Å; F28-S31 PolarHBondContact O-OG 2.91Å; F28-Y34 HydrophobicContact CD1-CD2 4.07Å; F28-Y34 AromaticContact CE1-CD2 3.45Å; F28-Y34 HydrophobicContact CE1-CD2 3.45Å; F28-Y34 VanDerWaalsContact CE1-CD2 3.45Å; F28-Y34 HydrophobicContact CE1-CE2 4.11Å; F28-Y34 HydrophobicContact CE1-CG 4.33Å; F28-Y34 AromaticContact CZ-CD2 3.89Å; F28-Y34 HydrophobicContact CZ-CD2 3.89Å; F28-Y34 WeakPolarHBondContact O-CB 3.15Å
29	V	94.8	Very high	92.7	Very high	12 Å²	12	48.2 Å²	48.2	7%	0.073	24%	0.235	C	C	.	.	H	α-helix	trans	-57.6	-36.3	177.5	165.4	0	0	0	0	112.1	E25 M26 Y34 I123 A127 L130	E25-V29 WeakPolarHBondContact O-CG2 3.47Å; E25-V29 PolarHBondContact O-N 3.16Å; E25-V29 VanDerWaalsContact O-N 3.09Å; M26-V29 PolarHBondContact O-N 2.87Å; V29-Y34 WeakPolarHBondContact O-CD1 3.42Å; V29-I123 HydrophobicContact CG1-CB 4.44Å; V29-I123 HydrophobicContact CG1-CG2 3.87Å; V29-A127 HydrophobicContact CG1-CB 4.29Å; V29-L130 HydrophobicContact CG2-CD1 3.82Å
30	F	92.3	Very high	93.4	Very high	44 Å²	44	45.9 Å²	45.9	19%	0.193	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	9	176.1	-71.8	-80.4	0	0	0	114.3	M26 C27 F28 I123 A127 A356 F359	M26-F30 HydrophobicContact CG-CD2 4.43Å; M26-F30 HydrophobicContact CG-CE2 4.5Å; M26-F30 PolarHBondContact O-N 3Å; M26-F30 HydrophobicContact SD-CD2 4.16Å; M26-F30 HydrophobicContact SD-CE2 3.79Å; C27-F30 PolarHBondContact O-N 3.33Å; F28-F30 PolarHBondContact O-N 3.49Å; F30-I123 HydrophobicContact CD1-CG2 3.69Å; F30-I123 HydrophobicContact CE1-CG2 3.31Å; F30-I123 HydrophobicContact CE2-CG2 4.32Å; F30-I123 HydrophobicContact CG-CG2 4.35Å; F30-I123 HydrophobicContact CZ-CG2 3.67Å; F30-A127 HydrophobicContact CE2-CB 3.89Å; F30-A127 HydrophobicContact CZ-CB 4.1Å; F30-A356 HydrophobicContact CB-CB 4.02Å; F30-A356 HydrophobicContact CD1-CB 3.36Å; F30-A356 HydrophobicContact CD2-CB 4.3Å; F30-A356 HydrophobicContact CE1-CB 3.83Å; F30-A356 HydrophobicContact CG-CB 3.63Å; F30-A356 HydrophobicContact CZ-CB 4.48Å; F30-F359 HydrophobicContact CE2-CB 3.47Å; F30-F359 VanDerWaalsContact CE2-CB 3.47Å; F30-F359 HydrophobicContact CE2-CD2 4.27Å; F30-F359 AromaticContact CE2-CG 3.99Å; F30-F359 HydrophobicContact CE2-CG 3.99Å; F30-F359 HydrophobicContact CZ-CB 3.74Å; F30-F359 AromaticContact CZ-CD2 3.66Å; F30-F359 HydrophobicContact CZ-CD2 3.66Å; F30-F359 AromaticContact CZ-CG 3.85Å; F30-F359 HydrophobicContact CZ-CG 3.85Å
31	S	90.5	Very high	94.1	Very high	31 Å²	31	42.8 Å²	42.8	22%	0.217	21%	0.209	C	C	.	.	S	Bend	trans	-76.5	151.2	179.1	72.9	0	0	0	0	112.4	C27 F28 R33 Y34 K35	C27-S31 PolarHBondContact O-N 3.5Å; C27-S31 VanDerWaalsContact O-N 3.15Å; F28-S31 VanDerWaalsContact O-CB 3.26Å; F28-S31 WeakPolarHBondContact O-CB 3.32Å; F28-S31 PolarHBondContact O-N 3.37Å; F28-S31 PolarHBondContact O-OG 2.91Å; S31-R33 PolarHBondContact O-N 3.38Å; S31-Y34 PolarHBondContact O-N 3.39Å; S31-Y34 VanDerWaalsContact O-N 3.09Å; S31-Y34 WeakPolarHBondContact OG-CB 3.22Å; S31-Y34 PolarHBondContact OG-N 3Å; S31-Y34 VanDerWaalsContact OG-N 3.14Å; S31-K35 PolarHBondContact O-N 3.19Å
32	D	89.2	Confident	94.5	Very high	84 Å²	84	39.5 Å²	39.5	45%	0.449	20%	0.196	S	C	.	.	H	α-helix	trans	-61.6	-33.9	174	-73.6	-36.5	0	0	0	112.3	Y34 K35 F36 F74 R352	D32-Y34 VanDerWaalsContact C-N 3.34Å; D32-Y34 PolarHBondContact O-N 2.85Å; D32-K35 PolarHBondContact O-N 3.48Å; D32-F36 HydrophobicContact CB-CD2 3.97Å; D32-F36 HydrophobicContact CB-CE2 3.79Å; D32-F36 WeakPolarHBondContact O-CD2 3.45Å; D32-F36 PolarHBondContact O-N 3.19Å; D32-F74 HydrophobicContact CB-CE1 4.13Å; D32-R352 IonicContact OD1-NH1 2.78Å; D32-R352 PolarHBondContact OD1-NH1 3.28Å
33	R	92.5	Very high	94.9	Very high	107 Å²	107	39 Å²	39	40%	0.404	19%	0.191	S	C	.	.	H	α-helix	trans	-56.6	-49.6	172	178.7	166.1	-69.6	-77.7	-1.1	111.1	S31 R37 E70 F74	S31-R33 PolarHBondContact O-N 3.38Å; R33-R37 WeakPolarHBondContact O-CB 3.35Å; R33-R37 WeakPolarHBondContact O-CG 3.35Å; R33-R37 PolarHBondContact O-N 3.26Å; R33-E70 PolarHBondContact NH1-O 3.38Å; R33-F74 HydrophobicContact CB-CZ 4.3Å
34	Y	94.2	Very high	95.1	Very high	29 Å²	29	38.6 Å²	38.6	11%	0.114	19%	0.188	C	C	.	.	H	α-helix	trans	-66.4	-38.8	178.5	-168	-97.6	0	0	0	112.7	F28 V29 S31 D32 R37 T38 I123 N126	F28-Y34 HydrophobicContact CD1-CD2 4.07Å; F28-Y34 AromaticContact CE1-CD2 3.45Å; F28-Y34 HydrophobicContact CE1-CD2 3.45Å; F28-Y34 VanDerWaalsContact CE1-CD2 3.45Å; F28-Y34 HydrophobicContact CE1-CE2 4.11Å; F28-Y34 HydrophobicContact CE1-CG 4.33Å; F28-Y34 AromaticContact CZ-CD2 3.89Å; F28-Y34 HydrophobicContact CZ-CD2 3.89Å; F28-Y34 WeakPolarHBondContact O-CB 3.15Å; V29-Y34 WeakPolarHBondContact O-CD1 3.42Å; S31-Y34 PolarHBondContact O-N 3.39Å; S31-Y34 VanDerWaalsContact O-N 3.09Å; S31-Y34 WeakPolarHBondContact OG-CB 3.22Å; S31-Y34 PolarHBondContact OG-N 3Å; S31-Y34 VanDerWaalsContact OG-N 3.14Å; D32-Y34 VanDerWaalsContact C-N 3.34Å; D32-Y34 PolarHBondContact O-N 2.85Å; Y34-R37 WeakPolarHBondContact O-CG 3.31Å; Y34-T38 VanDerWaalsContact O-CB 3.27Å; Y34-T38 WeakPolarHBondContact O-CB 3.31Å; Y34-T38 PolarHBondContact O-N 3.1Å; Y34-T38 VanDerWaalsContact O-N 3.16Å; Y34-T38 PolarHBondContact O-OG1 2.91Å; Y34-I123 HydrophobicContact CD1-CG1 4.01Å; Y34-I123 HydrophobicContact CE1-CG1 3.99Å; Y34-N126 PolarHBondContact OH-ND2 3.33Å
35	K	91.6	Very high	95.3	Very high	8 Å²	8	36 Å²	36	4%	0.035	17%	0.166	C	C	.	.	H	α-helix	trans	-57.3	-59.7	173.6	-179.6	-149.1	-177.1	158.8	0	111.1	S31 D32 T38 W39 D87 T119 E349 R352	S31-K35 PolarHBondContact O-N 3.19Å; D32-K35 PolarHBondContact O-N 3.48Å; K35-T38 CarbonylContact O-C 3.59Å; K35-T38 WeakPolarHBondContact O-CA 3.44Å; K35-T38 WeakPolarHBondContact O-CB 3.44Å; K35-T38 PolarHBondContact O-N 2.7Å; K35-T38 VanDerWaalsContact O-N 3.11Å; K35-W39 HydrophobicContact CD-CZ2 4.3Å; K35-W39 VanDerWaalsContact CE-CE2 3.45Å; K35-W39 VanDerWaalsContact O-CD1 3.23Å; K35-W39 PolarHBondContact O-N 2.84Å; K35-D87 IonicContact NZ-OD2 3.84Å; K35-T119 HydrophobicContact CG-CG2 4.26Å; K35-E349 IonicContact NZ-OE2 3.08Å; K35-E349 PolarHBondContact NZ-OE2 3.38Å; K35-R352 VanDerWaalsContact CD-NH1 3.33Å; K35-R352 VanDerWaalsContact CE-CZ 3.44Å
36	F	94.6	Very high	95.5	Very high	15 Å²	15	31 Å²	31	7%	0.066	14%	0.142	C	C	.	.	H	α-helix	trans	-76.3	-28.3	-168.4	-63.5	-59.6	0	0	0	113.3	D32 T38 W39 R40 I72 F74 H91	D32-F36 HydrophobicContact CB-CD2 3.97Å; D32-F36 HydrophobicContact CB-CE2 3.79Å; D32-F36 WeakPolarHBondContact O-CD2 3.45Å; D32-F36 PolarHBondContact O-N 3.19Å; F36-T38 VanDerWaalsContact C-N 3.29Å; F36-W39 AromaticContact CD1-CD2 3.91Å; F36-W39 HydrophobicContact CD1-CD2 3.91Å; F36-W39 AromaticContact CD1-CE3 3.59Å; F36-W39 HydrophobicContact CD1-CE3 3.59Å; F36-W39 HydrophobicContact CD1-CG 4.49Å; F36-W39 HydrophobicContact CD1-CH2 4.43Å; F36-W39 AromaticContact CD1-CZ3 3.84Å; F36-W39 HydrophobicContact CD1-CZ3 3.84Å; F36-W39 HydrophobicContact CE1-CD2 4.38Å; F36-W39 AromaticContact CE1-CE3 3.9Å; F36-W39 HydrophobicContact CE1-CE3 3.9Å; F36-W39 AromaticContact CE1-CH2 3.95Å; F36-W39 HydrophobicContact CE1-CH2 3.95Å; F36-W39 HydrophobicContact CE1-CZ2 4.47Å; F36-W39 AromaticContact CE1-CZ3 3.62Å; F36-W39 HydrophobicContact CE1-CZ3 3.62Å; F36-W39 WeakPolarHBondContact O-CB 3.41Å; F36-W39 PolarHBondContact O-N 2.92Å; F36-R40 PolarHBondContact O-N 3.49Å; F36-R40 VanDerWaalsContact O-N 3.14Å; F36-I72 HydrophobicContact CB-CD1 3.87Å; F36-F74 HydrophobicContact CD2-CD1 4.42Å; F36-F74 AromaticContact CD2-CE1 3.69Å; F36-F74 HydrophobicContact CD2-CE1 3.69Å; F36-F74 HydrophobicContact CD2-CZ 4.48Å; F36-F74 HydrophobicContact CE2-CE1 4.17Å; F36-H91 AromaticContact CD1-CD2 3.78Å; F36-H91 AromaticContact CD1-CE1 3.24Å; F36-H91 WeakPolarHBondContact CD1-CE1 3.47Å; F36-H91 AromaticContact CD1-CG 3.82Å; F36-H91 AromaticContact CD1-ND1 3.5Å; F36-H91 WeakPolarHBondContact CD1-ND1 3.39Å; F36-H91 AromaticContact CD1-NE2 3.42Å; F36-H91 WeakPolarHBondContact CD1-NE2 3.35Å; F36-H91 AromaticContact CD2-CE1 3.65Å; F36-H91 AromaticContact CD2-NE2 3.98Å; F36-H91 AromaticContact CE1-CD2 3.45Å; F36-H91 VanDerWaalsContact CE1-CD2 3.45Å; F36-H91 WeakPolarHBondContact CE1-CD2 3.43Å; F36-H91 AromaticContact CE1-CE1 3.49Å; F36-H91 VanDerWaalsContact CE1-CE1 3.49Å; F36-H91 WeakPolarHBondContact CE1-CE1 3.35Å; F36-H91 AromaticContact CE1-CG 3.97Å; F36-H91 AromaticContact CE1-ND1 3.99Å; F36-H91 AromaticContact CE1-NE2 3.11Å; F36-H91 WeakPolarHBondContact CE1-NE2 3.31Å; F36-H91 AromaticContact CE2-CE1 3.88Å; F36-H91 AromaticContact CE2-NE2 3.73Å; F36-H91 AromaticContact CG-CE1 3.32Å; F36-H91 WeakPolarHBondContact CG-CE1 3.29Å; F36-H91 AromaticContact CG-ND1 3.8Å; F36-H91 AromaticContact CG-NE2 3.84Å; F36-H91 AromaticContact CZ-CE1 3.79Å; F36-H91 AromaticContact CZ-NE2 3.28Å; F36-H91 VanDerWaalsContact CZ-NE2 3.28Å; F36-H91 WeakPolarHBondContact CZ-NE2 3.48Å
37	R	96.9	Very high	95.6	Very high	82 Å²	82	31.1 Å²	31.1	31%	0.309	14%	0.143	S	C	.	.	H	α-helix	trans	-67.2	-33.5	167.9	68.3	102	80.4	161.6	5.3	111.5	R33 Y34 R40 Q41 E70 I72	R33-R37 WeakPolarHBondContact O-CB 3.35Å; R33-R37 WeakPolarHBondContact O-CG 3.35Å; R33-R37 PolarHBondContact O-N 3.26Å; Y34-R37 WeakPolarHBondContact O-CG 3.31Å; R37-R40 PolarHBondContact O-N 2.88Å; R37-Q41 WeakPolarHBondContact O-CB 3.49Å; R37-Q41 PolarHBondContact O-N 3.47Å; R37-E70 IonicContact CZ-OE1 3.34Å; R37-E70 IonicContact NE-OE1 2.7Å; R37-E70 PolarHBondContact NE-OE1 3.47Å; R37-E70 IonicContact NE-OE2 3.48Å; R37-E70 IonicContact NH2-OE1 2.93Å; R37-E70 PolarHBondContact NH2-OE1 3.13Å; R37-E70 IonicContact NH2-OE2 2.66Å; R37-I72 HydrophobicContact CB-CD1 3.99Å
38	T	97.6	Very high	95.9	Very high	8 Å²	8	31.2 Å²	31.2	5%	0.049	14%	0.14	C	C	.	.	H	α-helix	trans	-70.6	-34.9	174.2	-55.7	0	0	0	0	111.6	Y34 K35 F36 R40 Q41 L42 T119 I122	Y34-T38 VanDerWaalsContact O-CB 3.27Å; Y34-T38 WeakPolarHBondContact O-CB 3.31Å; Y34-T38 PolarHBondContact O-N 3.1Å; Y34-T38 VanDerWaalsContact O-N 3.16Å; Y34-T38 PolarHBondContact O-OG1 2.91Å; K35-T38 CarbonylContact O-C 3.59Å; K35-T38 WeakPolarHBondContact O-CA 3.44Å; K35-T38 WeakPolarHBondContact O-CB 3.44Å; K35-T38 PolarHBondContact O-N 2.7Å; K35-T38 VanDerWaalsContact O-N 3.11Å; F36-T38 VanDerWaalsContact C-N 3.29Å; T38-R40 PolarHBondContact O-N 2.91Å; T38-Q41 WeakPolarHBondContact O-CB 3.49Å; T38-Q41 PolarHBondContact O-N 3.05Å; T38-L42 HydrophobicContact CG2-CD1 4.37Å; T38-L42 WeakPolarHBondContact O-CG 3.29Å; T38-L42 PolarHBondContact O-N 2.96Å; T38-T119 HydrophobicContact CG2-CG2 3.85Å; T38-I122 HydrophobicContact CG2-CD1 3.85Å; T38-I122 HydrophobicContact CG2-CG2 4.43Å
39	W	97.8	Very high	96	Very high	3 Å²	3	26.9 Å²	26.9	1%	0.011	12%	0.121	C	C	.	.	H	α-helix	trans	-58.2	-48.1	170.5	-74.1	16.5	0	0	0	111.7	K35 F36 Q41 L42 W43 D87 V88 H91 V115	K35-W39 HydrophobicContact CD-CZ2 4.3Å; K35-W39 VanDerWaalsContact CE-CE2 3.45Å; K35-W39 VanDerWaalsContact O-CD1 3.23Å; K35-W39 PolarHBondContact O-N 2.84Å; F36-W39 AromaticContact CD1-CD2 3.91Å; F36-W39 HydrophobicContact CD1-CD2 3.91Å; F36-W39 AromaticContact CD1-CE3 3.59Å; F36-W39 HydrophobicContact CD1-CE3 3.59Å; F36-W39 HydrophobicContact CD1-CG 4.49Å; F36-W39 HydrophobicContact CD1-CH2 4.43Å; F36-W39 AromaticContact CD1-CZ3 3.84Å; F36-W39 HydrophobicContact CD1-CZ3 3.84Å; F36-W39 HydrophobicContact CE1-CD2 4.38Å; F36-W39 AromaticContact CE1-CE3 3.9Å; F36-W39 HydrophobicContact CE1-CE3 3.9Å; F36-W39 AromaticContact CE1-CH2 3.95Å; F36-W39 HydrophobicContact CE1-CH2 3.95Å; F36-W39 HydrophobicContact CE1-CZ2 4.47Å; F36-W39 AromaticContact CE1-CZ3 3.62Å; F36-W39 HydrophobicContact CE1-CZ3 3.62Å; F36-W39 WeakPolarHBondContact O-CB 3.41Å; F36-W39 PolarHBondContact O-N 2.92Å; W39-Q41 VanDerWaalsContact C-N 3.32Å; W39-Q41 PolarHBondContact O-N 3.34Å; W39-L42 PolarHBondContact O-N 3.24Å; W39-W43 HydrophobicContact CB-CE3 4.46Å; W39-W43 HydrophobicContact CB-CH2 4.29Å; W39-W43 HydrophobicContact CB-CZ3 4.08Å; W39-W43 HydrophobicContact CE3-CH2 4.12Å; W39-W43 PolarHBondContact O-N 3.06Å; W39-D87 WeakPolarHBondContact CH2-OD2 3.48Å; W39-V88 HydrophobicContact CH2-CB 4.39Å; W39-V88 HydrophobicContact CH2-CG2 3.46Å; W39-V88 VanDerWaalsContact CH2-CG2 3.46Å; W39-V88 HydrophobicContact CZ2-CG2 4.1Å; W39-V88 HydrophobicContact CZ3-CB 4.26Å; W39-V88 HydrophobicContact CZ3-CG2 3.78Å; W39-H91 HydrophobicContact CE3-CB 4Å; W39-H91 HydrophobicContact CZ3-CB 4.07Å; W39-V115 HydrophobicContact CB-CB 4.1Å; W39-V115 HydrophobicContact CB-CG1 4.33Å; W39-V115 HydrophobicContact CD2-CB 4Å; W39-V115 HydrophobicContact CD2-CG2 3.77Å; W39-V115 HydrophobicContact CE3-CG2 4.1Å; W39-V115 HydrophobicContact CG-CB 3.74Å; W39-V115 HydrophobicContact CG-CG1 4.49Å; W39-V115 HydrophobicContact CG-CG2 4.07Å; W39-V115 HydrophobicContact CZ2-CG2 4.28Å; W39-V115 PolarHBondContact NE1-O 2.63Å
40	R	98.4	Very high	96.2	Very high	1 Å²	1	26.3 Å²	26.3	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-62.4	-39.1	175.4	-67.2	-178	176.2	-163.9	2.1	112.5	F36 R37 T38 W43 L44 N68 L69 N71 F95	F36-R40 PolarHBondContact O-N 3.49Å; F36-R40 VanDerWaalsContact O-N 3.14Å; R37-R40 PolarHBondContact O-N 2.88Å; T38-R40 PolarHBondContact O-N 2.91Å; R40-W43 HydrophobicContact CG-CE3 4.16Å; R40-W43 HydrophobicContact CG-CZ3 4.23Å; R40-W43 PolarHBondContact O-N 3.45Å; R40-L44 WeakPolarHBondContact O-CB 3.44Å; R40-L44 PolarHBondContact O-N 3.23Å; R40-N68 PolarHBondContact NH1-O 2.98Å; R40-L69 HydrophobicContact CB-CD2 3.73Å; R40-L69 WeakPolarHBondContact CD-O 3.46Å; R40-N71 VanDerWaalsContact NH1-C 3.25Å; R40-N71 PolarHBondContact NH1-O 3.34Å; R40-N71 PolarHBondContact NH2-O 2.85Å; R40-F95 HydrophobicContact CB-CE1 4.03Å; R40-F95 HydrophobicContact CB-CE2 4.42Å; R40-F95 HydrophobicContact CB-CZ 3.97Å; R40-F95 HydrophobicContact CG-CD1 3.92Å; R40-F95 HydrophobicContact CG-CD2 4.05Å; R40-F95 HydrophobicContact CG-CE1 3.89Å; R40-F95 HydrophobicContact CG-CE2 4.02Å; R40-F95 HydrophobicContact CG-CG 4Å; R40-F95 HydrophobicContact CG-CZ 3.95Å; R40-F95 VanDerWaalsContact CZ-CD2 3.43Å
41	Q	98.6	Very high	96.5	Very high	49 Å²	49	26.7 Å²	26.7	23%	0.229	12%	0.12	C	C	.	.	H	α-helix	trans	-63.5	-39.9	175.7	-175.9	61.2	80.8	0	0	112.3	R37 T38 W39 L44 W45	R37-Q41 WeakPolarHBondContact O-CB 3.49Å; R37-Q41 PolarHBondContact O-N 3.47Å; T38-Q41 WeakPolarHBondContact O-CB 3.49Å; T38-Q41 PolarHBondContact O-N 3.05Å; W39-Q41 VanDerWaalsContact C-N 3.32Å; W39-Q41 PolarHBondContact O-N 3.34Å; Q41-L44 WeakPolarHBondContact O-CB 3.39Å; Q41-L44 PolarHBondContact O-N 3.43Å; Q41-W45 HydrophobicContact CG-CD2 4.12Å; Q41-W45 HydrophobicContact CG-CE3 4.39Å; Q41-W45 HydrophobicContact CG-CH2 3.71Å; Q41-W45 HydrophobicContact CG-CZ2 3.42Å; Q41-W45 VanDerWaalsContact CG-CZ2 3.42Å; Q41-W45 HydrophobicContact CG-CZ3 4.19Å; Q41-W45 VanDerWaalsContact NE2-CE2 3.34Å; Q41-W45 PolarHBondContact O-N 3.14Å
42	L	98.5	Very high	96.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66	-45.3	175	-73.9	164.1	0	0	0	111.1	T38 W39 L44 W45 L46 Y114 V115 N118 T119 I122 F195	T38-L42 HydrophobicContact CG2-CD1 4.37Å; T38-L42 WeakPolarHBondContact O-CG 3.29Å; T38-L42 PolarHBondContact O-N 2.96Å; W39-L42 PolarHBondContact O-N 3.24Å; L42-L44 VanDerWaalsContact C-N 3.27Å; L42-L44 PolarHBondContact O-N 2.69Å; L42-W45 HydrophobicContact CD2-CE3 3.84Å; L42-W45 HydrophobicContact CD2-CZ3 3.95Å; L42-W45 HydrophobicContact CG-CE3 4.47Å; L42-W45 PolarHBondContact O-N 2.99Å; L42-L46 WeakPolarHBondContact O-CB 3.43Å; L42-L46 PolarHBondContact O-N 3.4Å; L42-Y114 HydrophobicContact CB-CE1 3.91Å; L42-Y114 PolarHBondContact O-OH 3.45Å; L42-V115 HydrophobicContact CB-CG1 4.21Å; L42-N118 HydrophobicContact CD1-CB 3.89Å; L42-N118 HydrophobicContact CD2-CB 4.03Å; L42-T119 WeakPolarHBondContact CD1-OG1 3.42Å; L42-I122 HydrophobicContact CD2-CD1 4.29Å; L42-F195 HydrophobicContact CD2-CZ 3.88Å
43	W	98.6	Very high	97.2	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.011	12%	0.12	C	C	.	.	H	α-helix	trans	-60	-38.1	173.9	-72.5	-46.7	0	0	0	112.6	W39 R40 L46 A47 M65 V88 H91 V92 F95 I106 H107 V115	W39-W43 HydrophobicContact CB-CE3 4.46Å; W39-W43 HydrophobicContact CB-CH2 4.29Å; W39-W43 HydrophobicContact CB-CZ3 4.08Å; W39-W43 HydrophobicContact CE3-CH2 4.12Å; W39-W43 PolarHBondContact O-N 3.06Å; R40-W43 HydrophobicContact CG-CE3 4.16Å; R40-W43 HydrophobicContact CG-CZ3 4.23Å; R40-W43 PolarHBondContact O-N 3.45Å; W43-L46 WeakPolarHBondContact O-CB 3.33Å; W43-L46 PolarHBondContact O-N 2.97Å; W43-A47 PolarHBondContact O-N 3.38Å; W43-M65 VanDerWaalsContact C-CE 3.47Å; W43-M65 HydrophobicContact CB-CE 3.83Å; W43-M65 WeakPolarHBondContact O-CE 3.42Å; W43-V88 HydrophobicContact CZ2-CG1 4.05Å; W43-H91 HydrophobicContact CH2-CB 4Å; W43-H91 HydrophobicContact CZ3-CB 4.47Å; W43-V92 HydrophobicContact CH2-CG2 3.86Å; W43-V92 HydrophobicContact CZ2-CG2 3.43Å; W43-V92 VanDerWaalsContact CZ2-CG2 3.43Å; W43-F95 AromaticContact CE3-CD1 3.7Å; W43-F95 HydrophobicContact CE3-CD1 3.7Å; W43-F95 HydrophobicContact CE3-CE1 4.19Å; W43-F95 HydrophobicContact CZ3-CD1 4.21Å; W43-I106 HydrophobicContact CD2-CG2 3.99Å; W43-I106 HydrophobicContact CE3-CG2 4.32Å; W43-I106 HydrophobicContact CG-CG2 4.09Å; W43-H107 AromaticContact CD1-ND1 3.9Å; W43-H107 AromaticContact NE1-CG 3.62Å; W43-H107 AromaticContact NE1-ND1 3.08Å; W43-H107 PolarHBondContact NE1-ND1 3.34Å; W43-V115 HydrophobicContact CD2-CG1 4.03Å; W43-V115 HydrophobicContact CG-CG1 4.24Å; W43-V115 HydrophobicContact CZ2-CG1 3.88Å; W43-V115 HydrophobicContact CZ2-CG2 4.03Å
44	L	98.6	Very high	97.4	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-62.2	-47.8	173.9	176.4	63.4	0	0	0	111.4	R40 Q41 L42 L46 A47 E48 I62 M65 K66 L69	R40-L44 WeakPolarHBondContact O-CB 3.44Å; R40-L44 PolarHBondContact O-N 3.23Å; Q41-L44 WeakPolarHBondContact O-CB 3.39Å; Q41-L44 PolarHBondContact O-N 3.43Å; L42-L44 VanDerWaalsContact C-N 3.27Å; L42-L44 PolarHBondContact O-N 2.69Å; L44-L46 VanDerWaalsContact C-N 3.27Å; L44-L46 PolarHBondContact O-N 3.42Å; L44-A47 PolarHBondContact O-N 2.98Å; L44-E48 HydrophobicContact CD1-CG 4.21Å; L44-E48 HydrophobicContact CG-CG 4.45Å; L44-E48 WeakPolarHBondContact O-CB 3.28Å; L44-E48 VanDerWaalsContact O-CG 3.31Å; L44-E48 WeakPolarHBondContact O-CG 3.45Å; L44-E48 PolarHBondContact O-N 2.98Å; L44-I62 HydrophobicContact CD1-CG2 3.71Å; L44-M65 HydrophobicContact CD1-CB 4.11Å; L44-K66 HydrophobicContact CD1-CB 4.21Å; L44-K66 HydrophobicContact CD2-CB 3.88Å; L44-K66 HydrophobicContact CD2-CG 3.98Å; L44-L69 HydrophobicContact CB-CD2 4.26Å; L44-L69 HydrophobicContact CD2-CD1 3.9Å; L44-L69 HydrophobicContact CD2-CD2 4.15Å; L44-L69 HydrophobicContact CD2-CG 4.41Å
45	W	98.6	Very high	97.5	Very high	45 Å²	45	24 Å²	24	17%	0.17	13%	0.131	C	C	.	.	H	α-helix	trans	-63.4	-34.1	177.4	-68.2	-25	0	0	0	113.1	Q41 L42 A49 I122 K229 A230	Q41-W45 HydrophobicContact CG-CD2 4.12Å; Q41-W45 HydrophobicContact CG-CE3 4.39Å; Q41-W45 HydrophobicContact CG-CH2 3.71Å; Q41-W45 HydrophobicContact CG-CZ2 3.42Å; Q41-W45 VanDerWaalsContact CG-CZ2 3.42Å; Q41-W45 HydrophobicContact CG-CZ3 4.19Å; Q41-W45 VanDerWaalsContact NE2-CE2 3.34Å; Q41-W45 PolarHBondContact O-N 3.14Å; L42-W45 HydrophobicContact CD2-CE3 3.84Å; L42-W45 HydrophobicContact CD2-CZ3 3.95Å; L42-W45 HydrophobicContact CG-CE3 4.47Å; L42-W45 PolarHBondContact O-N 2.99Å; W45-A49 WeakPolarHBondContact O-CB 3.45Å; W45-A49 PolarHBondContact O-N 2.94Å; W45-A49 VanDerWaalsContact O-N 3.1Å; W45-I122 HydrophobicContact CZ3-CD1 4.27Å; W45-K229 HydrophobicContact CB-CB 4.3Å; W45-K229 HydrophobicContact CB-CD 3.84Å; W45-K229 HydrophobicContact CD2-CB 3.89Å; W45-K229 HydrophobicContact CE3-CB 4.42Å; W45-K229 HydrophobicContact CG-CB 3.82Å; W45-K229 HydrophobicContact CG-CD 3.93Å; W45-K229 HydrophobicContact CG-CG 4.42Å; W45-K229 WeakPolarHBondContact CZ2-O 3.39Å; W45-A230 HydrophobicContact CE3-CB 4.21Å; W45-A230 HydrophobicContact CH2-CB 4.34Å; W45-A230 HydrophobicContact CZ3-CB 3.67Å
46	L	98.6	Very high	97.8	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-61.7	-54.9	172.9	-173.5	63.4	0	0	0	110.2	L42 W43 L44 E48 A49 E50 A110 Y114 V198 F208 L222	L42-L46 WeakPolarHBondContact O-CB 3.43Å; L42-L46 PolarHBondContact O-N 3.4Å; W43-L46 WeakPolarHBondContact O-CB 3.33Å; W43-L46 PolarHBondContact O-N 2.97Å; L44-L46 VanDerWaalsContact C-N 3.27Å; L44-L46 PolarHBondContact O-N 3.42Å; L46-E48 PolarHBondContact O-N 3.15Å; L46-A49 PolarHBondContact O-N 3.42Å; L46-A49 VanDerWaalsContact O-N 3.13Å; L46-E50 HydrophobicContact CD1-CG 4.26Å; L46-E50 HydrophobicContact CG-CG 4.33Å; L46-E50 WeakPolarHBondContact O-CB 3.48Å; L46-E50 VanDerWaalsContact O-CG 3.32Å; L46-E50 WeakPolarHBondContact O-CG 3.46Å; L46-E50 PolarHBondContact O-N 3.07Å; L46-A110 HydrophobicContact CD2-CB 3.97Å; L46-Y114 HydrophobicContact CB-CE1 3.95Å; L46-Y114 HydrophobicContact CD1-CE2 4.49Å; L46-Y114 HydrophobicContact CD2-CD1 4.25Å; L46-Y114 HydrophobicContact CD2-CE1 3.91Å; L46-Y114 HydrophobicContact CG-CE1 4.37Å; L46-V198 HydrophobicContact CD1-CG1 3.78Å; L46-F208 HydrophobicContact CD1-CE1 4.19Å; L46-L222 HydrophobicContact CD1-CD1 4.24Å; L46-L222 HydrophobicContact CD1-CD2 4.28Å
47	A	98.3	Very high	97.9	Very high	2 Å²	2	29 Å²	29	2%	0.017	17%	0.165	C	C	.	.	H	α-helix	trans	-60.5	-41.6	-179.1	0	0	0	0	0	112.6	W43 L44 A49 Q51 I57 I62 M65 I105	W43-A47 PolarHBondContact O-N 3.38Å; L44-A47 PolarHBondContact O-N 2.98Å; A47-A49 PolarHBondContact O-N 3.24Å; A47-Q51 VanDerWaalsContact O-CB 3.29Å; A47-Q51 WeakPolarHBondContact O-CB 3.47Å; A47-Q51 PolarHBondContact O-N 3.11Å; A47-I57 HydrophobicContact CB-CD1 4.32Å; A47-I57 HydrophobicContact CB-CG2 4.47Å; A47-I62 HydrophobicContact CB-CG1 4.3Å; A47-M65 HydrophobicContact CB-CE 4.16Å; A47-M65 HydrophobicContact CB-SD 4.04Å; A47-I105 HydrophobicContact CB-CD1 4.17Å
48	E	98.4	Very high	98	Very high	37 Å²	37	28.5 Å²	28.5	17%	0.173	17%	0.171	C	C	.	.	H	α-helix	trans	-60.6	-42.3	175	-73.9	174.8	170.4	0	0	112.3	L44 L46 T52 I62 K229	L44-E48 HydrophobicContact CD1-CG 4.21Å; L44-E48 HydrophobicContact CG-CG 4.45Å; L44-E48 WeakPolarHBondContact O-CB 3.28Å; L44-E48 VanDerWaalsContact O-CG 3.31Å; L44-E48 WeakPolarHBondContact O-CG 3.45Å; L44-E48 PolarHBondContact O-N 2.98Å; L46-E48 PolarHBondContact O-N 3.15Å; E48-T52 PolarHBondContact O-N 2.98Å; E48-T52 PolarHBondContact O-OG1 3.33Å; E48-I62 HydrophobicContact CG-CD1 4.28Å; E48-I62 HydrophobicContact CG-CG2 3.81Å; E48-K229 IonicContact OE2-NZ 2.7Å; E48-K229 PolarHBondContact OE2-NZ 3.31Å
49	A	98.3	Very high	98	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-74	-42.1	-179.8	0	0	0	0	0	111.6	W45 L46 A47 Q51 T52 L53 L222 M225 V226	W45-A49 WeakPolarHBondContact O-CB 3.45Å; W45-A49 PolarHBondContact O-N 2.94Å; W45-A49 VanDerWaalsContact O-N 3.1Å; L46-A49 PolarHBondContact O-N 3.42Å; L46-A49 VanDerWaalsContact O-N 3.13Å; A47-A49 PolarHBondContact O-N 3.24Å; A49-Q51 PolarHBondContact O-N 3.45Å; A49-T52 WeakPolarHBondContact O-CB 3.32Å; A49-T52 PolarHBondContact O-N 3.2Å; A49-L53 VanDerWaalsContact O-CG 3.29Å; A49-L53 WeakPolarHBondContact O-CG 3.48Å; A49-L53 PolarHBondContact O-N 2.66Å; A49-L222 HydrophobicContact CB-CD1 3.47Å; A49-L222 VanDerWaalsContact CB-CD1 3.47Å; A49-M225 HydrophobicContact CB-CB 4.02Å; A49-M225 HydrophobicContact CB-CE 4.02Å; A49-M225 HydrophobicContact CB-SD 4.32Å; A49-V226 HydrophobicContact CB-CG1 4.2Å
50	E	98.2	Very high	98	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-43.1	175.1	-77	-178.5	158.6	0	0	112.1	L46 L53 G54 L55 I57 L222	L46-E50 HydrophobicContact CD1-CG 4.26Å; L46-E50 HydrophobicContact CG-CG 4.33Å; L46-E50 WeakPolarHBondContact O-CB 3.48Å; L46-E50 VanDerWaalsContact O-CG 3.32Å; L46-E50 WeakPolarHBondContact O-CG 3.46Å; L46-E50 PolarHBondContact O-N 3.07Å; E50-L53 PolarHBondContact O-N 3.34Å; E50-G54 PolarHBondContact O-N 3.33Å; E50-L55 HydrophobicContact CB-CB 4.29Å; E50-L55 HydrophobicContact CB-CD1 3.76Å; E50-L55 HydrophobicContact CB-CG 4.49Å; E50-L55 HydrophobicContact CG-CD1 3.8Å; E50-L55 WeakPolarHBondContact O-CB 3.5Å; E50-L55 PolarHBondContact O-N 2.98Å; E50-I57 HydrophobicContact CB-CD1 3.57Å; E50-L222 HydrophobicContact CG-CD1 4.03Å; E50-L222 HydrophobicContact CG-CD2 4.27Å
51	Q	98.3	Very high	98	Very high	52 Å²	52	40.5 Å²	40.5	24%	0.243	23%	0.231	C	C	.	.	H	α-helix	trans	-58.2	-48.5	172.6	-177.9	-173	57.4	0	0	111.4	A47 A49 L53 G54 I57 D59 I62	A47-Q51 VanDerWaalsContact O-CB 3.29Å; A47-Q51 WeakPolarHBondContact O-CB 3.47Å; A47-Q51 PolarHBondContact O-N 3.11Å; A49-Q51 PolarHBondContact O-N 3.45Å; Q51-L53 PolarHBondContact O-N 2.92Å; Q51-G54 PolarHBondContact O-N 3.28Å; Q51-I57 HydrophobicContact CB-CB 4Å; Q51-I57 HydrophobicContact CB-CG2 4.29Å; Q51-I57 HydrophobicContact CG-CB 4.41Å; Q51-I57 WeakPolarHBondContact CG-O 3.38Å; Q51-I57 PolarHBondContact NE2-O 2.87Å; Q51-D59 PolarHBondContact NE2-OD1 3.32Å; Q51-D59 PolarHBondContact OE1-OD1 3.49Å; Q51-I62 HydrophobicContact CB-CD1 3.97Å; Q51-I62 VanDerWaalsContact CD-CD1 3.4Å; Q51-I62 HydrophobicContact CG-CD1 4.27Å
52	T	98	Very high	97.9	Very high	98 Å²	98	38.9 Å²	38.9	60%	0.601	22%	0.224	S	C	*	.	H	α-helix	trans	-60.3	-31.3	-179.8	-56.4	0	0	0	0	111.8	E48 A49 G54 M225	E48-T52 PolarHBondContact O-N 2.98Å; E48-T52 PolarHBondContact O-OG1 3.33Å; A49-T52 WeakPolarHBondContact O-CB 3.32Å; A49-T52 PolarHBondContact O-N 3.2Å; T52-G54 VanDerWaalsContact C-N 3.29Å; T52-M225 HydrophobicContact CG2-CE 3.77Å
53	L	97.4	Very high	97.9	Very high	13 Å²	13	44 Å²	44	7%	0.068	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	2.4	179.2	-64.7	170.1	0	0	0	113.8	A49 E50 Q51 F212 K218 Q221 L222 M225	A49-L53 VanDerWaalsContact O-CG 3.29Å; A49-L53 WeakPolarHBondContact O-CG 3.48Å; A49-L53 PolarHBondContact O-N 2.66Å; E50-L53 PolarHBondContact O-N 3.34Å; Q51-L53 PolarHBondContact O-N 2.92Å; L53-F212 HydrophobicContact CB-CE1 3.73Å; L53-F212 HydrophobicContact CB-CZ 4.01Å; L53-F212 HydrophobicContact CD1-CE1 4.43Å; L53-F212 HydrophobicContact CD1-CZ 3.9Å; L53-K218 HydrophobicContact CD2-CG 4.47Å; L53-K218 PolarHBondContact O-NZ 2.86Å; L53-Q221 HydrophobicContact CD2-CB 3.89Å; L53-L222 HydrophobicContact CD1-CB 3.57Å; L53-L222 HydrophobicContact CD1-CD1 4.03Å; L53-L222 HydrophobicContact CD1-CG 4.35Å; L53-M225 HydrophobicContact CD1-SD 4.39Å; L53-M225 HydrophobicContact CD2-SD 4.33Å; L53-M225 HydrophobicContact CG-SD 4.28Å
54	G	96.2	Very high	97.9	Very high	60 Å²	60	45.4 Å²	45.4	62%	0.619	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	97	14.1	170.3	0	0	0	0	0	115.4	E50 Q51 T52	E50-G54 PolarHBondContact O-N 3.33Å; Q51-G54 PolarHBondContact O-N 3.28Å; T52-G54 VanDerWaalsContact C-N 3.29Å
55	L	96.9	Very high	97.8	Very high	23 Å²	23	45.3 Å²	45.3	12%	0.12	25%	0.254	C	S	.	.			trans	-72.3	150.9	169.9	-71.4	177.6	0	0	0	110.9	E50 I57 L108 F212	E50-L55 HydrophobicContact CB-CB 4.29Å; E50-L55 HydrophobicContact CB-CD1 3.76Å; E50-L55 HydrophobicContact CB-CG 4.49Å; E50-L55 HydrophobicContact CG-CD1 3.8Å; E50-L55 WeakPolarHBondContact O-CB 3.5Å; E50-L55 PolarHBondContact O-N 2.98Å; L55-I57 HydrophobicContact CB-CD1 4.48Å; L55-I57 HydrophobicContact CB-CG1 4.48Å; L55-I57 PolarHBondContact O-N 3.38Å; L55-L108 HydrophobicContact CD1-CD2 4.36Å; L55-F212 HydrophobicContact CD1-CE1 3.82Å; L55-F212 HydrophobicContact CD1-CZ 3.94Å; L55-F212 HydrophobicContact CD2-CD1 4.45Å; L55-F212 HydrophobicContact CD2-CE1 4.29Å; L55-F212 HydrophobicContact CG-CD1 4.37Å; L55-F212 HydrophobicContact CG-CE1 3.74Å; L55-F212 HydrophobicContact CG-CZ 4.35Å
56	P	96.9	Very high	97.8	Very high	117 Å²	117	48.5 Å²	48.5	76%	0.76	27%	0.269	S	S	*	.	S	Bend	trans	-75.7	68.7	-173.5	32.5	-37.4	0	0	0	112.2
57	I	97.9	Very high	97.7	Very high	11 Å²	11	52.2 Å²	52.2	6%	0.056	30%	0.295	C	S	.	.			trans	-116.4	128.8	178.5	-58.9	177	0	0	0	108.3	A47 E50 Q51 L55 I62 I105	A47-I57 HydrophobicContact CB-CD1 4.32Å; A47-I57 HydrophobicContact CB-CG2 4.47Å; E50-I57 HydrophobicContact CB-CD1 3.57Å; Q51-I57 HydrophobicContact CB-CB 4Å; Q51-I57 HydrophobicContact CB-CG2 4.29Å; Q51-I57 HydrophobicContact CG-CB 4.41Å; Q51-I57 WeakPolarHBondContact CG-O 3.38Å; Q51-I57 PolarHBondContact NE2-O 2.87Å; L55-I57 HydrophobicContact CB-CD1 4.48Å; L55-I57 HydrophobicContact CB-CG1 4.48Å; L55-I57 PolarHBondContact O-N 3.38Å; I57-I62 HydrophobicContact CG2-CD1 4.03Å; I57-I62 HydrophobicContact CG2-CG1 3.91Å; I57-I105 HydrophobicContact CG1-CB 4.41Å; I57-I105 HydrophobicContact CG1-CG2 4.37Å; I57-I105 HydrophobicContact CG2-CD1 4.46Å; I57-I105 HydrophobicContact CG2-CG1 4.5Å
58	T	98	Very high	97.7	Very high	72 Å²	72	53.3 Å²	53.3	44%	0.442	30%	0.301	S	S	.	.			trans	-94.5	153.2	-178	70.6	0	0	0	0	112.2	E60 Q61 I62	T58-E60 PolarHBondContact O-N 3.38Å; T58-Q61 WeakPolarHBondContact O-CB 3.4Å; T58-Q61 PolarHBondContact O-N 3.39Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.43Å; T58-Q61 PolarHBondContact OG1-N 2.91Å; T58-Q61 PolarHBondContact OG1-OE1 3.32Å; T58-I62 PolarHBondContact O-N 2.98Å
59	D	97.9	Very high	97.6	Very high	117 Å²	117	52.6 Å²	52.6	63%	0.626	30%	0.298	S	S	*	.	H	α-helix	trans	-58.6	-31.5	175.5	-67	-14.9	0	0	0	112	Q51 I62 Q63	Q51-D59 PolarHBondContact NE2-OD1 3.32Å; Q51-D59 PolarHBondContact OE1-OD1 3.49Å; D59-I62 PolarHBondContact O-N 3.38Å; D59-Q63 VanDerWaalsContact O-CB 3.25Å; D59-Q63 WeakPolarHBondContact O-CB 3.34Å; D59-Q63 PolarHBondContact O-N 3.18Å
60	E	97.3	Very high	97.5	Very high	119 Å²	119	56.5 Å²	56.5	56%	0.556	32%	0.316	S	S	*	.	H	α-helix	trans	-62.9	-40.7	175.2	-66	-170.6	-167.6	0	0	112.1	T58 E64 K101	T58-E60 PolarHBondContact O-N 3.38Å; E60-E64 VanDerWaalsContact O-CB 3.31Å; E60-E64 WeakPolarHBondContact O-CB 3.35Å; E60-E64 PolarHBondContact O-N 2.91Å; E60-K101 IonicContact OE2-NZ 2.74Å; E60-K101 PolarHBondContact OE2-NZ 2.78Å
61	Q	97.8	Very high	97.4	Very high	28 Å²	28	60.9 Å²	60.9	13%	0.131	34%	0.339	C	S	.	.	H	α-helix	trans	-65.2	-45.6	177.3	-68.9	172.1	-48.9	0	0	110.9	T58 E64 M65 K101 A102 I105	T58-Q61 WeakPolarHBondContact O-CB 3.4Å; T58-Q61 PolarHBondContact O-N 3.39Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.43Å; T58-Q61 PolarHBondContact OG1-N 2.91Å; T58-Q61 PolarHBondContact OG1-OE1 3.32Å; Q61-E64 PolarHBondContact O-N 3.04Å; Q61-M65 WeakPolarHBondContact O-CG 3.41Å; Q61-M65 PolarHBondContact O-N 3.45Å; Q61-K101 HydrophobicContact CG-CB 4.26Å; Q61-K101 WeakPolarHBondContact CG-O 3.49Å; Q61-K101 PolarHBondContact NE2-O 3.49Å; Q61-A102 HydrophobicContact CB-CB 3.99Å; Q61-A102 HydrophobicContact CG-CB 4.43Å; Q61-I105 HydrophobicContact CB-CG1 4.47Å
62	I	97.9	Very high	97.3	Very high	16 Å²	16	59.1 Å²	59.1	8%	0.082	33%	0.331	C	S	.	.	H	α-helix	trans	-62.8	-44.7	177.8	-70	172.5	0	0	0	110.9	L44 A47 E48 Q51 I57 T58 D59 E64 M65 K66	L44-I62 HydrophobicContact CD1-CG2 3.71Å; A47-I62 HydrophobicContact CB-CG1 4.3Å; E48-I62 HydrophobicContact CG-CD1 4.28Å; E48-I62 HydrophobicContact CG-CG2 3.81Å; Q51-I62 HydrophobicContact CB-CD1 3.97Å; Q51-I62 VanDerWaalsContact CD-CD1 3.4Å; Q51-I62 HydrophobicContact CG-CD1 4.27Å; I57-I62 HydrophobicContact CG2-CD1 4.03Å; I57-I62 HydrophobicContact CG2-CG1 3.91Å; T58-I62 PolarHBondContact O-N 2.98Å; D59-I62 PolarHBondContact O-N 3.38Å; I62-E64 VanDerWaalsContact C-N 3.34Å; I62-E64 PolarHBondContact O-N 3.13Å; I62-M65 PolarHBondContact O-N 3.38Å; I62-K66 WeakPolarHBondContact O-CB 3.42Å; I62-K66 PolarHBondContact O-N 2.85Å
63	Q	98	Very high	97.2	Very high	106 Å²	106	58.4 Å²	58.4	50%	0.495	32%	0.324	S	S	.	.	H	α-helix	trans	-66.4	-36	179.4	-173.3	55.7	51.1	0	0	112	D59 K66 S67	D59-Q63 VanDerWaalsContact O-CB 3.25Å; D59-Q63 WeakPolarHBondContact O-CB 3.34Å; D59-Q63 PolarHBondContact O-N 3.18Å; Q63-K66 PolarHBondContact O-N 3.35Å; Q63-S67 PolarHBondContact NE2-OG 3.32Å; Q63-S67 WeakPolarHBondContact O-CB 3.14Å; Q63-S67 PolarHBondContact O-N 3.16Å; Q63-S67 PolarHBondContact O-OG 2.91Å
64	E	97.6	Very high	96.8	Very high	34 Å²	34	61.2 Å²	61.2	16%	0.159	34%	0.336	C	S	.	.	H	α-helix	trans	-63	-46.7	173.8	-169.9	179.7	-114.4	0	0	111.5	E60 Q61 I62 K66 S67 N68 C99 P100 K101 A102	E60-E64 VanDerWaalsContact O-CB 3.31Å; E60-E64 WeakPolarHBondContact O-CB 3.35Å; E60-E64 PolarHBondContact O-N 2.91Å; Q61-E64 PolarHBondContact O-N 3.04Å; I62-E64 VanDerWaalsContact C-N 3.34Å; I62-E64 PolarHBondContact O-N 3.13Å; E64-K66 PolarHBondContact O-N 3.36Å; E64-S67 PolarHBondContact O-N 2.97Å; E64-N68 PolarHBondContact O-N 3.01Å; E64-N68 PolarHBondContact O-ND2 2.99Å; E64-C99 VanDerWaalsContact CD-CA 3.46Å; E64-C99 HydrophobicContact CG-CB 3.88Å; E64-C99 WeakPolarHBondContact OE2-CA 3.31Å; E64-C99 WeakPolarHBondContact OE2-CB 3.37Å; E64-P100 WeakPolarHBondContact OE1-CD 3.19Å; E64-K101 WeakPolarHBondContact OE2-CA 3.49Å; E64-K101 VanDerWaalsContact OE2-CB 3.31Å; E64-K101 WeakPolarHBondContact OE2-CB 3.42Å; E64-K101 PolarHBondContact OE2-N 3.25Å; E64-A102 PolarHBondContact OE2-N 3.24Å
65	M	98	Very high	96.7	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59.9	-46.7	174.6	-68.7	170.6	72.1	0	0	111.6	W43 L44 A47 Q61 I62 S67 N68 L69 F95 A102 I105 I106	W43-M65 VanDerWaalsContact C-CE 3.47Å; W43-M65 HydrophobicContact CB-CE 3.83Å; W43-M65 WeakPolarHBondContact O-CE 3.42Å; L44-M65 HydrophobicContact CD1-CB 4.11Å; A47-M65 HydrophobicContact CB-CE 4.16Å; A47-M65 HydrophobicContact CB-SD 4.04Å; Q61-M65 WeakPolarHBondContact O-CG 3.41Å; Q61-M65 PolarHBondContact O-N 3.45Å; I62-M65 PolarHBondContact O-N 3.38Å; M65-S67 VanDerWaalsContact C-N 3.3Å; M65-S67 PolarHBondContact O-N 3.02Å; M65-N68 CarbonylContact O-C 3.49Å; M65-N68 PolarHBondContact O-N 3.28Å; M65-N68 VanDerWaalsContact O-N 3.13Å; M65-L69 PolarHBondContact O-N 3.38Å; M65-F95 HydrophobicContact CB-CE1 4.34Å; M65-F95 HydrophobicContact CB-CZ 3.87Å; M65-F95 HydrophobicContact CE-CE1 3.97Å; M65-F95 HydrophobicContact CG-CE1 4.19Å; M65-F95 HydrophobicContact CG-CZ 4.09Å; M65-A102 HydrophobicContact CG-CB 3.52Å; M65-A102 HydrophobicContact SD-CB 3.87Å; M65-I105 HydrophobicContact SD-CD1 3.74Å; M65-I106 HydrophobicContact CE-CG1 4.13Å; M65-I106 HydrophobicContact SD-CG1 4.33Å
66	K	97.8	Very high	96.6	Very high	112 Å²	112	66.1 Å²	66.1	49%	0.487	34%	0.34	S	S	.	.	H	α-helix	trans	-61.4	-37.5	-179.7	-171.9	174.1	-176.1	174.5	0	112.7	L44 I62 Q63 E64 N68 L69	L44-K66 HydrophobicContact CD1-CB 4.21Å; L44-K66 HydrophobicContact CD2-CB 3.88Å; L44-K66 HydrophobicContact CD2-CG 3.98Å; I62-K66 WeakPolarHBondContact O-CB 3.42Å; I62-K66 PolarHBondContact O-N 2.85Å; Q63-K66 PolarHBondContact O-N 3.35Å; E64-K66 PolarHBondContact O-N 3.36Å; K66-N68 PolarHBondContact O-N 3.02Å; K66-L69 WeakPolarHBondContact O-CG 3.37Å
67	S	97.8	Very high	96.3	Very high	80 Å²	80	60.6 Å²	60.6	56%	0.559	31%	0.305	S	S	*	.	H	α-helix	trans	-71.7	-20	179.7	-54	0	0	0	0	112.5	Q63 E64 M65	Q63-S67 PolarHBondContact NE2-OG 3.32Å; Q63-S67 WeakPolarHBondContact O-CB 3.14Å; Q63-S67 PolarHBondContact O-N 3.16Å; Q63-S67 PolarHBondContact O-OG 2.91Å; E64-S67 PolarHBondContact O-N 2.97Å; M65-S67 VanDerWaalsContact C-N 3.3Å; M65-S67 PolarHBondContact O-N 3.02Å
68	N	97.8	Very high	95.7	Very high	25 Å²	25	62.8 Å²	62.8	13%	0.134	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	15.1	-175.4	-75.1	-73.6	0	0	0	114.1	R40 E64 M65 K66 E70 N71 F95	R40-N68 PolarHBondContact NH1-O 2.98Å; E64-N68 PolarHBondContact O-N 3.01Å; E64-N68 PolarHBondContact O-ND2 2.99Å; M65-N68 CarbonylContact O-C 3.49Å; M65-N68 PolarHBondContact O-N 3.28Å; M65-N68 VanDerWaalsContact O-N 3.13Å; K66-N68 PolarHBondContact O-N 3.02Å; N68-E70 VanDerWaalsContact C-N 3.29Å; N68-E70 PolarHBondContact O-N 2.93Å; N68-N71 HydrophobicContact CB-CB 4.34Å; N68-N71 PolarHBondContact O-N 2.8Å; N68-N71 PolarHBondContact OD1-ND2 2.66Å; N68-F95 HydrophobicContact CB-CE2 3.95Å
69	L	96.7	Very high	95.4	Very high	21 Å²	21	64.7 Å²	64.7	11%	0.11	33%	0.328	C	S	.	.	S	Bend	trans	-57.4	-39.5	-179.5	-66.5	178.6	0	0	0	113.4	R40 L44 M65 K66	R40-L69 HydrophobicContact CB-CD2 3.73Å; R40-L69 WeakPolarHBondContact CD-O 3.46Å; L44-L69 HydrophobicContact CB-CD2 4.26Å; L44-L69 HydrophobicContact CD2-CD1 3.9Å; L44-L69 HydrophobicContact CD2-CD2 4.15Å; L44-L69 HydrophobicContact CD2-CG 4.41Å; M65-L69 PolarHBondContact O-N 3.38Å; K66-L69 WeakPolarHBondContact O-CG 3.37Å
70	E	95.8	Very high	95	Very high	83 Å²	83	60.8 Å²	60.8	39%	0.388	31%	0.306	S	S	.	.	S	Bend	trans	-93.2	-12.9	-178.7	-60.2	-59.4	155.3	0	0	113.9	R33 R37 N68 I72	R33-E70 PolarHBondContact NH1-O 3.38Å; R37-E70 IonicContact CZ-OE1 3.34Å; R37-E70 IonicContact NE-OE1 2.7Å; R37-E70 PolarHBondContact NE-OE1 3.47Å; R37-E70 IonicContact NE-OE2 3.48Å; R37-E70 IonicContact NH2-OE1 2.93Å; R37-E70 PolarHBondContact NH2-OE1 3.13Å; R37-E70 IonicContact NH2-OE2 2.66Å; N68-E70 VanDerWaalsContact C-N 3.29Å; N68-E70 PolarHBondContact O-N 2.93Å; E70-I72 VanDerWaalsContact C-N 3.28Å; E70-I72 PolarHBondContact O-N 2.85Å
71	N	96.2	Very high	94.6	Very high	92 Å²	92	57.6 Å²	57.6	49%	0.492	29%	0.291	S	S	.	.			trans	-82.5	66.6	-173.7	-176	24.3	0	0	0	111.9	R40 N68	R40-N71 VanDerWaalsContact NH1-C 3.25Å; R40-N71 PolarHBondContact NH1-O 3.34Å; R40-N71 PolarHBondContact NH2-O 2.85Å; N68-N71 HydrophobicContact CB-CB 4.34Å; N68-N71 PolarHBondContact O-N 2.8Å; N68-N71 PolarHBondContact OD1-ND2 2.66Å
72	I	95.6	Very high	94.1	Very high	14 Å²	14	63.4 Å²	63.4	7%	0.072	32%	0.316	C	S	.	.			trans	-98.6	113.4	-172.6	-52.5	172.7	0	0	0	110.3	F36 R37 E70 F74	F36-I72 HydrophobicContact CB-CD1 3.87Å; R37-I72 HydrophobicContact CB-CD1 3.99Å; E70-I72 VanDerWaalsContact C-N 3.28Å; E70-I72 PolarHBondContact O-N 2.85Å; I72-F74 HydrophobicContact CB-CD2 4.34Å; I72-F74 HydrophobicContact CB-CE2 3.9Å; I72-F74 HydrophobicContact CB-CZ 4.29Å; I72-F74 HydrophobicContact CG2-CD1 4.43Å; I72-F74 HydrophobicContact CG2-CD2 4.06Å; I72-F74 HydrophobicContact CG2-CE1 4.27Å; I72-F74 HydrophobicContact CG2-CE2 3.84Å; I72-F74 HydrophobicContact CG2-CG 4.34Å; I72-F74 HydrophobicContact CG2-CZ 3.95Å; I72-F74 WeakPolarHBondContact O-CD2 3.23Å; I72-F74 PolarHBondContact O-N 3.07Å
73	D	95.4	Very high	93.8	Very high	84 Å²	84	69.7 Å²	69.7	45%	0.449	34%	0.339	S	S	.	.			trans	-83.6	92.9	169.1	-169.8	-21.2	0	0	0	110.2	K75 M76 A77 T94	D73-K75 VanDerWaalsContact C-N 3.25Å; D73-K75 PolarHBondContact O-N 3.12Å; D73-K75 WeakPolarHBondContact OD1-CB 3.34Å; D73-K75 PolarHBondContact OD1-N 3.35Å; D73-M76 HydrophobicContact CB-CB 4.06Å; D73-M76 PolarHBondContact OD1-N 3.1Å; D73-A77 WeakPolarHBondContact O-CB 3.27Å; D73-A77 PolarHBondContact O-N 2.65Å; D73-A77 VanDerWaalsContact O-N 3.07Å; D73-T94 HydrophobicContact CB-CG2 4.24Å
74	F	89.8	Confident	93.2	Very high	72 Å²	72	67.2 Å²	67.2	32%	0.316	33%	0.328	S	S	.	.	H	α-helix	trans	-65	-28.7	178	-71.8	-88.1	0	0	0	113.2	D32 R33 F36 I72 A78	D32-F74 HydrophobicContact CB-CE1 4.13Å; R33-F74 HydrophobicContact CB-CZ 4.3Å; F36-F74 HydrophobicContact CD2-CD1 4.42Å; F36-F74 AromaticContact CD2-CE1 3.69Å; F36-F74 HydrophobicContact CD2-CE1 3.69Å; F36-F74 HydrophobicContact CD2-CZ 4.48Å; F36-F74 HydrophobicContact CE2-CE1 4.17Å; I72-F74 HydrophobicContact CB-CD2 4.34Å; I72-F74 HydrophobicContact CB-CE2 3.9Å; I72-F74 HydrophobicContact CB-CZ 4.29Å; I72-F74 HydrophobicContact CG2-CD1 4.43Å; I72-F74 HydrophobicContact CG2-CD2 4.06Å; I72-F74 HydrophobicContact CG2-CE1 4.27Å; I72-F74 HydrophobicContact CG2-CE2 3.84Å; I72-F74 HydrophobicContact CG2-CG 4.34Å; I72-F74 HydrophobicContact CG2-CZ 3.95Å; I72-F74 WeakPolarHBondContact O-CD2 3.23Å; I72-F74 PolarHBondContact O-N 3.07Å; F74-A78 WeakPolarHBondContact O-CB 2.87Å; F74-A78 PolarHBondContact O-N 3.31Å
75	K	94.5	Very high	92.6	Very high	149 Å²	149	73.4 Å²	73.4	65%	0.648	35%	0.35	S	S	*	.	H	α-helix	trans	-70.8	-49.2	-179.1	-175.9	-172.7	172.9	-167.9	0	109.5	D73 A77 A78 E79	D73-K75 VanDerWaalsContact C-N 3.25Å; D73-K75 PolarHBondContact O-N 3.12Å; D73-K75 WeakPolarHBondContact OD1-CB 3.34Å; D73-K75 PolarHBondContact OD1-N 3.35Å; K75-A77 VanDerWaalsContact C-N 3.32Å; K75-A77 PolarHBondContact O-N 3.17Å; K75-A78 PolarHBondContact O-N 3.04Å; K75-E79 VanDerWaalsContact CE-OE1 3.24Å; K75-E79 WeakPolarHBondContact CE-OE1 3.37Å; K75-E79 WeakPolarHBondContact O-CG 3.29Å; K75-E79 PolarHBondContact O-N 2.95Å
76	M	93.9	Very high	91.9	Very high	36 Å²	36	76.7 Å²	76.7	18%	0.177	37%	0.365	C	S	.	.	H	α-helix	trans	-59.9	-44.3	175	-174.6	-173.7	-177.2	0	0	111.1	D73 A78 E79 E80 T94 H97	D73-M76 HydrophobicContact CB-CB 4.06Å; D73-M76 PolarHBondContact OD1-N 3.1Å; M76-A78 VanDerWaalsContact C-N 3.33Å; M76-A78 PolarHBondContact O-N 2.87Å; M76-E79 PolarHBondContact O-N 2.89Å; M76-E80 HydrophobicContact CE-CG 4.46Å; M76-E80 HydrophobicContact CG-CG 4.3Å; M76-E80 WeakPolarHBondContact O-CB 3.38Å; M76-E80 WeakPolarHBondContact O-CG 3.3Å; M76-E80 PolarHBondContact O-N 3.17Å; M76-T94 HydrophobicContact CB-CG2 4.28Å; M76-T94 HydrophobicContact CG-CG2 4.38Å; M76-T94 HydrophobicContact SD-CG2 4.08Å; M76-H97 HydrophobicContact CE-CB 3.78Å; M76-H97 HydrophobicContact SD-CB 4.08Å
77	A	90.1	Very high	91.3	Very high	2 Å²	2	72.5 Å²	72.5	2%	0.017	35%	0.348	C	S	.	.	H	α-helix	trans	-58.9	-42.7	178.3	0	0	0	0	0	112.4	D73 K75 E80 E81 T94	D73-A77 WeakPolarHBondContact O-CB 3.27Å; D73-A77 PolarHBondContact O-N 2.65Å; D73-A77 VanDerWaalsContact O-N 3.07Å; K75-A77 VanDerWaalsContact C-N 3.32Å; K75-A77 PolarHBondContact O-N 3.17Å; A77-E80 PolarHBondContact O-N 3.32Å; A77-E81 WeakPolarHBondContact O-CB 3.31Å; A77-E81 PolarHBondContact O-N 3.37Å; A77-T94 WeakPolarHBondContact CA-OG1 3.49Å; A77-T94 HydrophobicContact CB-CG2 4.37Å
78	A	85.2	Confident	90.9	Very high	56 Å²	56	68.9 Å²	68.9	46%	0.463	32%	0.323	S	S	.	.	H	α-helix	trans	-66.9	-37.8	177.4	0	0	0	0	0	112.9	F74 K75 M76 K82	F74-A78 WeakPolarHBondContact O-CB 2.87Å; F74-A78 PolarHBondContact O-N 3.31Å; K75-A78 PolarHBondContact O-N 3.04Å; M76-A78 VanDerWaalsContact C-N 3.33Å; M76-A78 PolarHBondContact O-N 2.87Å; A78-K82 WeakPolarHBondContact O-CB 3.42Å; A78-K82 PolarHBondContact O-N 3.29Å
79	E	92.4	Very high	90.5	Very high	112 Å²	112	70.9 Å²	70.9	52%	0.523	33%	0.332	S	S	.	.	H	α-helix	trans	-64.9	-43.5	174.2	-71.5	172.6	-172.3	0	0	111.2	K75 M76 K82 R83	K75-E79 VanDerWaalsContact CE-OE1 3.24Å; K75-E79 WeakPolarHBondContact CE-OE1 3.37Å; K75-E79 WeakPolarHBondContact O-CG 3.29Å; K75-E79 PolarHBondContact O-N 2.95Å; M76-E79 PolarHBondContact O-N 2.89Å; E79-K82 PolarHBondContact O-N 3.37Å; E79-R83 PolarHBondContact O-N 2.97Å; E79-R83 VanDerWaalsContact O-N 3.1Å
80	E	89.9	Confident	90.3	Very high	35 Å²	35	69.9 Å²	69.9	16%	0.164	33%	0.327	C	S	.	.	H	α-helix	trans	-66.5	-40.5	176.7	-73.5	-66.9	-178.5	0	0	112.4	M76 A77 K82 R83 L84 A90	M76-E80 HydrophobicContact CE-CG 4.46Å; M76-E80 HydrophobicContact CG-CG 4.3Å; M76-E80 WeakPolarHBondContact O-CB 3.38Å; M76-E80 WeakPolarHBondContact O-CG 3.3Å; M76-E80 PolarHBondContact O-N 3.17Å; A77-E80 PolarHBondContact O-N 3.32Å; E80-K82 VanDerWaalsContact C-N 3.35Å; E80-K82 PolarHBondContact O-N 3.03Å; E80-R83 WeakPolarHBondContact O-CB 3.47Å; E80-R83 PolarHBondContact O-N 2.95Å; E80-R83 VanDerWaalsContact O-N 3.14Å; E80-R83 IonicContact OE1-NH2 2.73Å; E80-R83 IonicContact OE2-CZ 2.98Å; E80-R83 IonicContact OE2-NE 4Å; E80-R83 PolarHBondContact OE2-NE 3.24Å; E80-R83 IonicContact OE2-NH2 3.57Å; E80-R83 PolarHBondContact OE2-NH2 2.88Å; E80-L84 WeakPolarHBondContact O-CB 3.43Å; E80-L84 WeakPolarHBondContact O-CG 3.48Å; E80-L84 PolarHBondContact O-N 3.2Å; E80-A90 HydrophobicContact CB-CB 3.7Å
81	E	87.8	Confident	90.2	Very high	53 Å²	53	66.2 Å²	66.2	25%	0.248	31%	0.31	C	S	.	.	H	α-helix	trans	-64.4	-41.8	176.1	-175	-179.6	171.4	0	0	111	A77 R83 L84 R85 D87 A90	A77-E81 WeakPolarHBondContact O-CB 3.31Å; A77-E81 PolarHBondContact O-N 3.37Å; E81-R83 PolarHBondContact O-N 3.08Å; E81-L84 PolarHBondContact O-N 3.39Å; E81-R85 VanDerWaalsContact O-CA 3.31Å; E81-R85 WeakPolarHBondContact O-CA 3.44Å; E81-R85 PolarHBondContact O-N 3.45Å; E81-D87 HydrophobicContact CG-CB 4.38Å; E81-A90 HydrophobicContact CB-CB 3.82Å; E81-A90 VanDerWaalsContact N-CB 3.31Å
82	K	88.3	Confident	90.2	Very high	150 Å²	150	62.6 Å²	62.6	65%	0.652	29%	0.291	S	S	*	.	H	α-helix	trans	-59.8	-34.9	174.2	-174.1	179.7	179.5	-178.2	0	111.9	A78 E79 E80 R85	A78-K82 WeakPolarHBondContact O-CB 3.42Å; A78-K82 PolarHBondContact O-N 3.29Å; E79-K82 PolarHBondContact O-N 3.37Å; E80-K82 VanDerWaalsContact C-N 3.35Å; E80-K82 PolarHBondContact O-N 3.03Å; K82-R85 VanDerWaalsContact O-CZ 3.24Å; K82-R85 PolarHBondContact O-NE 3.23Å; K82-R85 VanDerWaalsContact O-NE 3.15Å
83	R	91.1	Very high	90.2	Very high	148 Å²	148	66 Å²	66	56%	0.558	31%	0.306	S	S	*	.	H	α-helix	trans	-76.5	-48.7	178.5	-173.7	-178.5	69.2	85.3	-4.8	112.3	E79 E80 E81	E79-R83 PolarHBondContact O-N 2.97Å; E79-R83 VanDerWaalsContact O-N 3.1Å; E80-R83 WeakPolarHBondContact O-CB 3.47Å; E80-R83 PolarHBondContact O-N 2.95Å; E80-R83 VanDerWaalsContact O-N 3.14Å; E80-R83 IonicContact OE1-NH2 2.73Å; E80-R83 IonicContact OE2-CZ 2.98Å; E80-R83 IonicContact OE2-NE 4Å; E80-R83 PolarHBondContact OE2-NE 3.24Å; E80-R83 IonicContact OE2-NH2 3.57Å; E80-R83 PolarHBondContact OE2-NH2 2.88Å; E81-R83 PolarHBondContact O-N 3.08Å
84	L	85.4	Confident	90.2	Very high	54 Å²	54	62.1 Å²	62.1	28%	0.283	29%	0.286	S	S	.	.	H	α-helix	trans	-88.8	-19.2	-170.3	-66.5	172.8	0	0	0	113.7	E80 E81 H86 M89 H93	E80-L84 WeakPolarHBondContact O-CB 3.43Å; E80-L84 WeakPolarHBondContact O-CG 3.48Å; E80-L84 PolarHBondContact O-N 3.2Å; E81-L84 PolarHBondContact O-N 3.39Å; L84-H86 PolarHBondContact O-N 2.92Å; L84-M89 HydrophobicContact CD1-CB 4.26Å; L84-H93 VanDerWaalsContact CD1-CD2 3.45Å; L84-H93 WeakPolarHBondContact CD1-CD2 3.36Å
85	R	85.5	Confident	90.6	Very high	164 Å²	164	58.7 Å²	58.7	62%	0.619	27%	0.271	S	S	*	.	S	Bend	trans	55.3	29.5	-172.3	-51.5	-57.2	-175.8	173.2	-0.8	112.8	E81 K82	E81-R85 VanDerWaalsContact O-CA 3.31Å; E81-R85 WeakPolarHBondContact O-CA 3.44Å; E81-R85 PolarHBondContact O-N 3.45Å; K82-R85 VanDerWaalsContact O-CZ 3.24Å; K82-R85 PolarHBondContact O-NE 3.23Å; K82-R85 VanDerWaalsContact O-NE 3.15Å
86	H	82.4	Confident	90.8	Very high	68 Å²	68	52.1 Å²	52.1	32%	0.315	25%	0.245	S	C	.	.			trans	-148.5	112.5	179.4	-167	-24.3	0	0	0	109.9	L84 V88 M89 A90 S112	L84-H86 PolarHBondContact O-N 2.92Å; H86-V88 PolarHBondContact ND1-N 3.14Å; H86-M89 HydrophobicContact CB-CB 4.16Å; H86-M89 HydrophobicContact CB-CG 4.39Å; H86-M89 PolarHBondContact O-N 2.85Å; H86-A90 WeakPolarHBondContact O-CB 3.43Å; H86-A90 PolarHBondContact O-N 3.26Å; H86-S112 PolarHBondContact CE1-OG 3.16Å; H86-S112 PolarHBondContact NE2-OG 3.06Å; H86-S112 VanDerWaalsContact NE2-OG 3.1Å
87	D	86.1	Confident	90.9	Very high	24 Å²	24	57 Å²	57	13%	0.128	27%	0.267	C	S	.	.	H	α-helix	trans	-62.2	-48	-177.1	66.9	-29	0	0	0	113.8	K35 W39 E81 M89 A90 H91	K35-D87 IonicContact NZ-OD2 3.84Å; W39-D87 WeakPolarHBondContact CH2-OD2 3.48Å; E81-D87 HydrophobicContact CG-CB 4.38Å; D87-M89 PolarHBondContact O-N 3.49Å; D87-A90 WeakPolarHBondContact O-CB 3.23Å; D87-A90 PolarHBondContact O-N 3.4Å; D87-H91 PolarHBondContact O-CD2 3.33Å; D87-H91 PolarHBondContact O-N 3.32Å
88	V	90.1	Very high	91.2	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.024	28%	0.278	C	S	.	.	H	α-helix	trans	-60.7	-47.7	178.1	178.5	0	0	0	0	110.8	W39 W43 H86 A90 H91 V92 V115	W39-V88 HydrophobicContact CH2-CB 4.39Å; W39-V88 HydrophobicContact CH2-CG2 3.46Å; W39-V88 VanDerWaalsContact CH2-CG2 3.46Å; W39-V88 HydrophobicContact CZ2-CG2 4.1Å; W39-V88 HydrophobicContact CZ3-CB 4.26Å; W39-V88 HydrophobicContact CZ3-CG2 3.78Å; W43-V88 HydrophobicContact CZ2-CG1 4.05Å; H86-V88 PolarHBondContact ND1-N 3.14Å; V88-A90 VanDerWaalsContact C-N 3.32Å; V88-A90 PolarHBondContact O-N 3.38Å; V88-H91 CarbonylContact O-C 3.59Å; V88-H91 PolarHBondContact O-N 2.93Å; V88-H91 VanDerWaalsContact O-N 3.15Å; V88-V92 HydrophobicContact CG1-CG2 4.32Å; V88-V92 WeakPolarHBondContact O-CG2 3.13Å; V88-V92 PolarHBondContact O-N 3.34Å; V88-V115 HydrophobicContact CG1-CG2 3.83Å; V88-V115 HydrophobicContact CG2-CG2 4.01Å
89	M	88.8	Confident	91.7	Very high	68 Å²	68	55.8 Å²	55.8	34%	0.335	26%	0.255	S	S	.	.	H	α-helix	trans	-65.2	-37.2	179.6	-69.5	-54.3	-56.9	0	0	112.1	L84 H86 D87 H91 V92 H93	L84-M89 HydrophobicContact CD1-CB 4.26Å; H86-M89 HydrophobicContact CB-CB 4.16Å; H86-M89 HydrophobicContact CB-CG 4.39Å; H86-M89 PolarHBondContact O-N 2.85Å; D87-M89 PolarHBondContact O-N 3.49Å; M89-H91 VanDerWaalsContact C-N 3.32Å; M89-H91 PolarHBondContact O-N 3.39Å; M89-V92 PolarHBondContact O-N 2.89Å; M89-H93 PolarHBondContact O-CD2 2.66Å; M89-H93 PolarHBondContact O-N 3.35Å
90	A	91.6	Very high	91.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.6	-47.8	171.8	0	0	0	0	0	111.3	E80 E81 H86 D87 V88 V92 H93 T94	E80-A90 HydrophobicContact CB-CB 3.7Å; E81-A90 HydrophobicContact CB-CB 3.82Å; E81-A90 VanDerWaalsContact N-CB 3.31Å; H86-A90 WeakPolarHBondContact O-CB 3.43Å; H86-A90 PolarHBondContact O-N 3.26Å; D87-A90 WeakPolarHBondContact O-CB 3.23Å; D87-A90 PolarHBondContact O-N 3.4Å; V88-A90 VanDerWaalsContact C-N 3.32Å; V88-A90 PolarHBondContact O-N 3.38Å; A90-V92 PolarHBondContact O-N 2.69Å; A90-H93 PolarHBondContact O-N 2.95Å; A90-T94 PolarHBondContact O-N 3.13Å; A90-T94 PolarHBondContact O-OG1 3.27Å
91	H	94.3	Very high	92.3	Very high	5 Å²	5	58.7 Å²	58.7	2%	0.023	28%	0.275	C	S	.	.	H	α-helix	trans	-68.7	-31.2	177.2	-84.5	-91.2	0	0	0	114.2	F36 W39 W43 D87 V88 M89 F95	F36-H91 AromaticContact CD1-CD2 3.78Å; F36-H91 AromaticContact CD1-CE1 3.24Å; F36-H91 WeakPolarHBondContact CD1-CE1 3.47Å; F36-H91 AromaticContact CD1-CG 3.82Å; F36-H91 AromaticContact CD1-ND1 3.5Å; F36-H91 WeakPolarHBondContact CD1-ND1 3.39Å; F36-H91 AromaticContact CD1-NE2 3.42Å; F36-H91 WeakPolarHBondContact CD1-NE2 3.35Å; F36-H91 AromaticContact CD2-CE1 3.65Å; F36-H91 AromaticContact CD2-NE2 3.98Å; F36-H91 AromaticContact CE1-CD2 3.45Å; F36-H91 VanDerWaalsContact CE1-CD2 3.45Å; F36-H91 WeakPolarHBondContact CE1-CD2 3.43Å; F36-H91 AromaticContact CE1-CE1 3.49Å; F36-H91 VanDerWaalsContact CE1-CE1 3.49Å; F36-H91 WeakPolarHBondContact CE1-CE1 3.35Å; F36-H91 AromaticContact CE1-CG 3.97Å; F36-H91 AromaticContact CE1-ND1 3.99Å; F36-H91 AromaticContact CE1-NE2 3.11Å; F36-H91 WeakPolarHBondContact CE1-NE2 3.31Å; F36-H91 AromaticContact CE2-CE1 3.88Å; F36-H91 AromaticContact CE2-NE2 3.73Å; F36-H91 AromaticContact CG-CE1 3.32Å; F36-H91 WeakPolarHBondContact CG-CE1 3.29Å; F36-H91 AromaticContact CG-ND1 3.8Å; F36-H91 AromaticContact CG-NE2 3.84Å; F36-H91 AromaticContact CZ-CE1 3.79Å; F36-H91 AromaticContact CZ-NE2 3.28Å; F36-H91 VanDerWaalsContact CZ-NE2 3.28Å; F36-H91 WeakPolarHBondContact CZ-NE2 3.48Å; W39-H91 HydrophobicContact CE3-CB 4Å; W39-H91 HydrophobicContact CZ3-CB 4.07Å; W43-H91 HydrophobicContact CH2-CB 4Å; W43-H91 HydrophobicContact CZ3-CB 4.47Å; D87-H91 PolarHBondContact O-CD2 3.33Å; D87-H91 PolarHBondContact O-N 3.32Å; V88-H91 CarbonylContact O-C 3.59Å; V88-H91 PolarHBondContact O-N 2.93Å; V88-H91 VanDerWaalsContact O-N 3.15Å; M89-H91 VanDerWaalsContact C-N 3.32Å; M89-H91 PolarHBondContact O-N 3.39Å; H91-F95 VanDerWaalsContact O-CB 3.23Å; H91-F95 WeakPolarHBondContact O-CB 3.36Å; H91-F95 PolarHBondContact O-N 2.7Å
92	V	96.4	Very high	92.7	Very high	17 Å²	17	56.2 Å²	56.2	10%	0.103	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-47.5	171.1	170.1	0	0	0	0	109.9	W43 V88 M89 A90 F95 G96 I106 H107	W43-V92 HydrophobicContact CH2-CG2 3.86Å; W43-V92 HydrophobicContact CZ2-CG2 3.43Å; W43-V92 VanDerWaalsContact CZ2-CG2 3.43Å; V88-V92 HydrophobicContact CG1-CG2 4.32Å; V88-V92 WeakPolarHBondContact O-CG2 3.13Å; V88-V92 PolarHBondContact O-N 3.34Å; M89-V92 PolarHBondContact O-N 2.89Å; A90-V92 PolarHBondContact O-N 2.69Å; V92-F95 PolarHBondContact O-N 3.41Å; V92-G96 PolarHBondContact O-N 2.9Å; V92-I106 HydrophobicContact CG1-CG2 4.06Å; V92-I106 HydrophobicContact CG2-CG2 4.33Å; V92-H107 HydrophobicContact CG2-CB 4.01Å
93	H	95.4	Very high	93.1	Very high	84 Å²	84	51 Å²	51	39%	0.389	25%	0.249	S	C	.	.	H	α-helix	trans	-63.8	-45.9	176.6	-78.4	-70.4	0	0	0	112.4	L84 M89 A90 F95 G96 H97	L84-H93 VanDerWaalsContact CD1-CD2 3.45Å; L84-H93 WeakPolarHBondContact CD1-CD2 3.36Å; M89-H93 PolarHBondContact O-CD2 2.66Å; M89-H93 PolarHBondContact O-N 3.35Å; A90-H93 PolarHBondContact O-N 2.95Å; H93-F95 VanDerWaalsContact C-N 3.29Å; H93-F95 PolarHBondContact O-N 3.28Å; H93-G96 PolarHBondContact O-N 2.58Å; H93-H97 WeakPolarHBondContact O-CB 3.11Å; H93-H97 PolarHBondContact O-N 2.91Å
94	T	96.3	Very high	93.3	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.018	26%	0.257	C	S	.	.	H	α-helix	trans	-61.8	-37.6	176.9	-56.1	0	0	0	0	111.9	D73 M76 A77 A90	D73-T94 HydrophobicContact CB-CG2 4.24Å; M76-T94 HydrophobicContact CB-CG2 4.28Å; M76-T94 HydrophobicContact CG-CG2 4.38Å; M76-T94 HydrophobicContact SD-CG2 4.08Å; A77-T94 WeakPolarHBondContact CA-OG1 3.49Å; A77-T94 HydrophobicContact CB-CG2 4.37Å; A90-T94 PolarHBondContact O-N 3.13Å; A90-T94 PolarHBondContact O-OG1 3.27Å
95	F	98	Very high	93.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-74.6	-39.3	177.7	-167.4	-148.9	0	0	0	112.1	R40 W43 M65 N68 H91 V92 H93 H97 C98 C99 I106	R40-F95 HydrophobicContact CB-CE1 4.03Å; R40-F95 HydrophobicContact CB-CE2 4.42Å; R40-F95 HydrophobicContact CB-CZ 3.97Å; R40-F95 HydrophobicContact CG-CD1 3.92Å; R40-F95 HydrophobicContact CG-CD2 4.05Å; R40-F95 HydrophobicContact CG-CE1 3.89Å; R40-F95 HydrophobicContact CG-CE2 4.02Å; R40-F95 HydrophobicContact CG-CG 4Å; R40-F95 HydrophobicContact CG-CZ 3.95Å; R40-F95 VanDerWaalsContact CZ-CD2 3.43Å; W43-F95 AromaticContact CE3-CD1 3.7Å; W43-F95 HydrophobicContact CE3-CD1 3.7Å; W43-F95 HydrophobicContact CE3-CE1 4.19Å; W43-F95 HydrophobicContact CZ3-CD1 4.21Å; M65-F95 HydrophobicContact CB-CE1 4.34Å; M65-F95 HydrophobicContact CB-CZ 3.87Å; M65-F95 HydrophobicContact CE-CE1 3.97Å; M65-F95 HydrophobicContact CG-CE1 4.19Å; M65-F95 HydrophobicContact CG-CZ 4.09Å; N68-F95 HydrophobicContact CB-CE2 3.95Å; H91-F95 VanDerWaalsContact O-CB 3.23Å; H91-F95 WeakPolarHBondContact O-CB 3.36Å; H91-F95 PolarHBondContact O-N 2.7Å; V92-F95 PolarHBondContact O-N 3.41Å; H93-F95 VanDerWaalsContact C-N 3.29Å; H93-F95 PolarHBondContact O-N 3.28Å; F95-H97 VanDerWaalsContact C-N 3.26Å; F95-H97 PolarHBondContact O-N 3.27Å; F95-C98 PolarHBondContact O-N 2.85Å; F95-C98 PolarHBondContact O-SG 3.13Å; F95-C99 WeakPolarHBondContact CE2-SG 3.31Å; F95-C99 WeakPolarHBondContact O-CB 3.44Å; F95-C99 PolarHBondContact O-N 3.28Å; F95-I106 HydrophobicContact CB-CD1 4.32Å; F95-I106 HydrophobicContact CD1-CD1 3.63Å; F95-I106 HydrophobicContact CD1-CG1 4.23Å; F95-I106 HydrophobicContact CD1-CG2 4.25Å; F95-I106 HydrophobicContact CE1-CD1 4.2Å; F95-I106 HydrophobicContact CG-CD1 4.05Å
96	G	97.1	Very high	94.4	Very high	11 Å²	11	38.6 Å²	38.6	11%	0.113	22%	0.222	C	C	.	.	H	α-helix	trans	-62.8	-30.7	172.1	0	0	0	0	0	113.1	V92 H93 C99 P100	V92-G96 PolarHBondContact O-N 2.9Å; H93-G96 PolarHBondContact O-N 2.58Å; G96-C99 CarbonylContact O-C 3.49Å; G96-C99 PolarHBondContact O-N 3Å; G96-C99 VanDerWaalsContact O-O 3.14Å; G96-P100 WeakPolarHBondContact O-CA 3.24Å
97	H	97.3	Very high	95.1	Very high	138 Å²	138	36.5 Å²	36.5	64%	0.639	21%	0.213	S	C	*	.	H	α-helix	trans	-65.3	-42.4	175.6	-178.5	-90.5	0	0	0	112.7	M76 H93 F95	M76-H97 HydrophobicContact CE-CB 3.78Å; M76-H97 HydrophobicContact SD-CB 4.08Å; H93-H97 WeakPolarHBondContact O-CB 3.11Å; H93-H97 PolarHBondContact O-N 2.91Å; F95-H97 VanDerWaalsContact C-N 3.26Å; F95-H97 PolarHBondContact O-N 3.27Å
98	C	95.6	Very high	95.5	Very high	34 Å²	34	37.7 Å²	37.7	23%	0.23	22%	0.219	C	C	.	.	H	α-helix	trans	-84.7	-10	174.7	65	0	0	0	0	113.9	F95	F95-C98 PolarHBondContact O-N 2.85Å; F95-C98 PolarHBondContact O-SG 3.13Å
99	C	96.8	Very high	95.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.227	C	C	.	.			trans	-127.1	68.4	175.5	-52.7	0	0	0	0	110.9	E64 F95 G96 K101 A102 A103	E64-C99 VanDerWaalsContact CD-CA 3.46Å; E64-C99 HydrophobicContact CG-CB 3.88Å; E64-C99 WeakPolarHBondContact OE2-CA 3.31Å; E64-C99 WeakPolarHBondContact OE2-CB 3.37Å; F95-C99 WeakPolarHBondContact CE2-SG 3.31Å; F95-C99 WeakPolarHBondContact O-CB 3.44Å; F95-C99 PolarHBondContact O-N 3.28Å; G96-C99 CarbonylContact O-C 3.49Å; G96-C99 PolarHBondContact O-N 3Å; G96-C99 VanDerWaalsContact O-O 3.14Å; C99-K101 VanDerWaalsContact C-N 3.27Å; C99-K101 PolarHBondContact O-N 2.99Å; C99-A102 HydrophobicContact CB-CB 4.03Å; C99-A102 CarbonylContact O-C 3.59Å; C99-A102 PolarHBondContact O-N 2.77Å; C99-A102 VanDerWaalsContact O-N 3.16Å; C99-A103 PolarHBondContact O-N 3.22Å
100	P	97	Very high	95.9	Very high	92 Å²	92	36.1 Å²	36.1	60%	0.597	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-29.3	-172.1	25.7	-35.6	0	0	0	113.5	E64 G96	E64-P100 WeakPolarHBondContact OE1-CD 3.19Å; G96-P100 WeakPolarHBondContact O-CA 3.24Å
101	K	96.6	Very high	95.9	Very high	116 Å²	116	36.9 Å²	36.9	50%	0.504	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-38.9	176.5	-60.3	178.9	173.3	-171.7	0	110.8	E60 Q61 E64 C99	E60-K101 IonicContact OE2-NZ 2.74Å; E60-K101 PolarHBondContact OE2-NZ 2.78Å; Q61-K101 HydrophobicContact CG-CB 4.26Å; Q61-K101 WeakPolarHBondContact CG-O 3.49Å; Q61-K101 PolarHBondContact NE2-O 3.49Å; E64-K101 WeakPolarHBondContact OE2-CA 3.49Å; E64-K101 VanDerWaalsContact OE2-CB 3.31Å; E64-K101 WeakPolarHBondContact OE2-CB 3.42Å; E64-K101 PolarHBondContact OE2-N 3.25Å; C99-K101 VanDerWaalsContact C-N 3.27Å; C99-K101 PolarHBondContact O-N 2.99Å
102	A	96.9	Very high	95.8	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-13.9	179.9	0	0	0	0	0	114	Q61 E64 M65 C99 G104 I105 I106	Q61-A102 HydrophobicContact CB-CB 3.99Å; Q61-A102 HydrophobicContact CG-CB 4.43Å; E64-A102 PolarHBondContact OE2-N 3.24Å; M65-A102 HydrophobicContact CG-CB 3.52Å; M65-A102 HydrophobicContact SD-CB 3.87Å; C99-A102 HydrophobicContact CB-CB 4.03Å; C99-A102 CarbonylContact O-C 3.59Å; C99-A102 PolarHBondContact O-N 2.77Å; C99-A102 VanDerWaalsContact O-N 3.16Å; A102-G104 PolarHBondContact O-N 3.45Å; A102-I105 HydrophobicContact CB-CD1 4.13Å; A102-I105 WeakPolarHBondContact O-CG1 3.5Å; A102-I105 PolarHBondContact O-N 3.14Å; A102-I106 HydrophobicContact CB-CD1 4.43Å; A102-I106 HydrophobicContact CB-CG1 4.44Å; A102-I106 WeakPolarHBondContact O-CG1 3.31Å; A102-I106 PolarHBondContact O-N 2.92Å
103	A	96.4	Very high	95.6	Very high	41 Å²	41	37.6 Å²	37.6	34%	0.339	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-39.3	-172.4	0	0	0	0	0	114.4	C99 I105	C99-A103 PolarHBondContact O-N 3.22Å; A103-I105 VanDerWaalsContact C-N 3.35Å; A103-I105 PolarHBondContact O-N 3.17Å
104	G	95.5	Very high	95.7	Very high	72 Å²	72	33.7 Å²	33.7	74%	0.742	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-17.1	-179.3	0	0	0	0	0	115.5	A102	A102-G104 PolarHBondContact O-N 3.45Å
105	I	96.8	Very high	95.6	Very high	21 Å²	21	33.5 Å²	33.5	11%	0.108	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-8.3	-178.3	61.7	71.8	0	0	0	113.1	A47 I57 Q61 M65 A102 A103 H107 L108	A47-I105 HydrophobicContact CB-CD1 4.17Å; I57-I105 HydrophobicContact CG1-CB 4.41Å; I57-I105 HydrophobicContact CG1-CG2 4.37Å; I57-I105 HydrophobicContact CG2-CD1 4.46Å; I57-I105 HydrophobicContact CG2-CG1 4.5Å; Q61-I105 HydrophobicContact CB-CG1 4.47Å; M65-I105 HydrophobicContact SD-CD1 3.74Å; A102-I105 HydrophobicContact CB-CD1 4.13Å; A102-I105 WeakPolarHBondContact O-CG1 3.5Å; A102-I105 PolarHBondContact O-N 3.14Å; A103-I105 VanDerWaalsContact C-N 3.35Å; A103-I105 PolarHBondContact O-N 3.17Å; I105-H107 PolarHBondContact O-N 2.93Å; I105-L108 WeakPolarHBondContact O-CB 3.28Å; I105-L108 PolarHBondContact O-N 3.48Å
106	I	96.4	Very high	95.2	Very high	12 Å²	12	34.2 Å²	34.2	6%	0.062	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	129.8	175.6	-67.8	165.6	0	0	0	108.8	W43 M65 V92 F95 A102 L108	W43-I106 HydrophobicContact CD2-CG2 3.99Å; W43-I106 HydrophobicContact CE3-CG2 4.32Å; W43-I106 HydrophobicContact CG-CG2 4.09Å; M65-I106 HydrophobicContact CE-CG1 4.13Å; M65-I106 HydrophobicContact SD-CG1 4.33Å; V92-I106 HydrophobicContact CG1-CG2 4.06Å; V92-I106 HydrophobicContact CG2-CG2 4.33Å; F95-I106 HydrophobicContact CB-CD1 4.32Å; F95-I106 HydrophobicContact CD1-CD1 3.63Å; F95-I106 HydrophobicContact CD1-CG1 4.23Å; F95-I106 HydrophobicContact CD1-CG2 4.25Å; F95-I106 HydrophobicContact CE1-CD1 4.2Å; F95-I106 HydrophobicContact CG-CD1 4.05Å; A102-I106 HydrophobicContact CB-CD1 4.43Å; A102-I106 HydrophobicContact CB-CG1 4.44Å; A102-I106 WeakPolarHBondContact O-CG1 3.31Å; A102-I106 PolarHBondContact O-N 2.92Å; I106-L108 VanDerWaalsContact C-N 3.26Å; I106-L108 PolarHBondContact O-N 2.7Å
107	H	96.9	Very high	95.1	Very high	24 Å²	24	33.9 Å²	33.9	11%	0.111	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	17.9	178.8	-155	52.9	0	0	0	115.2	W43 V92 I105 G109 A110 T111	W43-H107 AromaticContact CD1-ND1 3.9Å; W43-H107 AromaticContact NE1-CG 3.62Å; W43-H107 AromaticContact NE1-ND1 3.08Å; W43-H107 PolarHBondContact NE1-ND1 3.34Å; V92-H107 HydrophobicContact CG2-CB 4.01Å; I105-H107 PolarHBondContact O-N 2.93Å; H107-G109 PolarHBondContact O-N 2.97Å; H107-A110 WeakPolarHBondContact ND1-CB 3.2Å; H107-A110 PolarHBondContact O-N 3.43Å; H107-T111 PolarHBondContact CE1-O 3.42Å
108	L	95.4	Very high	95.1	Very high	50 Å²	50	27.3 Å²	27.3	26%	0.262	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	128.5	178.5	-172.6	62.3	0	0	0	111.3	L55 I105 I106 A110 L211	L55-L108 HydrophobicContact CD1-CD2 4.36Å; I105-L108 WeakPolarHBondContact O-CB 3.28Å; I105-L108 PolarHBondContact O-N 3.48Å; I106-L108 VanDerWaalsContact C-N 3.26Å; I106-L108 PolarHBondContact O-N 2.7Å; L108-A110 PolarHBondContact O-N 3.46Å; L108-L211 HydrophobicContact CD1-CD1 4.5Å; L108-L211 HydrophobicContact CD1-CD2 4.06Å; L108-L211 HydrophobicContact CD2-CD2 4.38Å; L108-L211 HydrophobicContact CG-CD1 3.97Å; L108-L211 HydrophobicContact CG-CD2 4.13Å
109	G	91	Very high	95.1	Very high	18 Å²	18	25.7 Å²	25.7	19%	0.186	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	-10.6	179	0	0	0	0	0	116.6	H107 S207 F208	H107-G109 PolarHBondContact O-N 2.97Å; G109-S207 VanDerWaalsContact O-CB 3.29Å; G109-S207 WeakPolarHBondContact O-CB 3.44Å; G109-S207 PolarHBondContact O-OG 2.64Å; G109-F208 VanDerWaalsContact C-CZ 3.44Å; G109-F208 VanDerWaalsContact O-CE2 3.31Å; G109-F208 WeakPolarHBondContact O-CE2 3.38Å; G109-F208 VanDerWaalsContact O-CZ 3.27Å; G109-F208 WeakPolarHBondContact O-CZ 3.5Å
110	A	95.4	Very high	95	Very high	20 Å²	20	26.5 Å²	26.5	17%	0.165	18%	0.176	C	C	.	.			trans	-88.1	171.3	-174.4	0	0	0	0	0	112.8	L46 H107 L108 Y114 F208	L46-A110 HydrophobicContact CD2-CB 3.97Å; H107-A110 WeakPolarHBondContact ND1-CB 3.2Å; H107-A110 PolarHBondContact O-N 3.43Å; L108-A110 PolarHBondContact O-N 3.46Å; A110-Y114 HydrophobicContact CB-CD1 4.18Å; A110-Y114 HydrophobicContact CB-CG 4.12Å; A110-F208 HydrophobicContact CB-CZ 4.01Å
111	T	92.9	Very high	95	Very high	16 Å²	16	22.1 Å²	22.1	10%	0.098	15%	0.148	C	C	.	.			trans	-125.4	164.4	172.2	-175.7	0	0	0	0	109.1	H107 C113 Y114 G200	H107-T111 PolarHBondContact CE1-O 3.42Å; T111-C113 HydrophobicContact CG2-CB 4.34Å; T111-C113 PolarHBondContact O-N 3.47Å; T111-Y114 WeakPolarHBondContact O-CB 3.39Å; T111-Y114 PolarHBondContact O-N 3.17Å; T111-G200 VanDerWaalsContact CG2-O 3.24Å; T111-G200 WeakPolarHBondContact CG2-O 3.36Å
112	S	91.4	Very high	95.1	Very high	29 Å²	29	17 Å²	17	20%	0.203	13%	0.126	C	C	.	.	H	α-helix	trans	-49.2	-38.4	-178	-48.1	0	0	0	0	113.6	H86 Y114 V115 G116	H86-S112 PolarHBondContact CE1-OG 3.16Å; H86-S112 PolarHBondContact NE2-OG 3.06Å; H86-S112 VanDerWaalsContact NE2-OG 3.1Å; S112-Y114 PolarHBondContact O-N 3.45Å; S112-V115 WeakPolarHBondContact O-CG2 3.44Å; S112-V115 PolarHBondContact O-N 3.27Å; S112-G116 PolarHBondContact O-N 3.41Å
113	C	92.6	Very high	95.1	Very high	9 Å²	9	17.4 Å²	17.4	6%	0.061	13%	0.128	C	C	.	.	H	α-helix	trans	-69.2	-13.6	177	-67.8	0	0	0	0	114.4	T111 V115 D117 Q241 T242	T111-C113 HydrophobicContact CG2-CB 4.34Å; T111-C113 PolarHBondContact O-N 3.47Å; C113-V115 VanDerWaalsContact C-N 3.32Å; C113-D117 HydrophobicContact CB-CB 4.42Å; C113-D117 WeakPolarHBondContact O-CB 3.34Å; C113-D117 PolarHBondContact O-N 3.21Å; C113-Q241 HydrophobicContact CB-CG 4.3Å; C113-T242 HydrophobicContact CB-CG2 4.5Å
114	Y	96.7	Very high	95.2	Very high	1 Å²	1	15.6 Å²	15.6	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-61.2	-42.6	170	174.9	-106	0	0	0	111.4	L42 L46 A110 T111 S112 N118 V198	L42-Y114 HydrophobicContact CB-CE1 3.91Å; L42-Y114 PolarHBondContact O-OH 3.45Å; L46-Y114 HydrophobicContact CB-CE1 3.95Å; L46-Y114 HydrophobicContact CD1-CE2 4.49Å; L46-Y114 HydrophobicContact CD2-CD1 4.25Å; L46-Y114 HydrophobicContact CD2-CE1 3.91Å; L46-Y114 HydrophobicContact CG-CE1 4.37Å; A110-Y114 HydrophobicContact CB-CD1 4.18Å; A110-Y114 HydrophobicContact CB-CG 4.12Å; T111-Y114 WeakPolarHBondContact O-CB 3.39Å; T111-Y114 PolarHBondContact O-N 3.17Å; S112-Y114 PolarHBondContact O-N 3.45Å; Y114-N118 VanDerWaalsContact O-CB 3.24Å; Y114-N118 WeakPolarHBondContact O-CB 3.28Å; Y114-N118 PolarHBondContact O-ND2 2.65Å; Y114-V198 HydrophobicContact CD2-CG1 3.7Å; Y114-V198 HydrophobicContact CE2-CG1 3.51Å
115	V	93.9	Very high	95.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-90.6	-40.1	177.4	-66.6	0	0	0	0	112.4	W39 L42 W43 V88 S112 C113 T119	W39-V115 HydrophobicContact CB-CB 4.1Å; W39-V115 HydrophobicContact CB-CG1 4.33Å; W39-V115 HydrophobicContact CD2-CB 4Å; W39-V115 HydrophobicContact CD2-CG2 3.77Å; W39-V115 HydrophobicContact CE3-CG2 4.1Å; W39-V115 HydrophobicContact CG-CB 3.74Å; W39-V115 HydrophobicContact CG-CG1 4.49Å; W39-V115 HydrophobicContact CG-CG2 4.07Å; W39-V115 HydrophobicContact CZ2-CG2 4.28Å; W39-V115 PolarHBondContact NE1-O 2.63Å; L42-V115 HydrophobicContact CB-CG1 4.21Å; W43-V115 HydrophobicContact CD2-CG1 4.03Å; W43-V115 HydrophobicContact CG-CG1 4.24Å; W43-V115 HydrophobicContact CZ2-CG1 3.88Å; W43-V115 HydrophobicContact CZ2-CG2 4.03Å; V88-V115 HydrophobicContact CG1-CG2 3.83Å; V88-V115 HydrophobicContact CG2-CG2 4.01Å; S112-V115 WeakPolarHBondContact O-CG2 3.44Å; S112-V115 PolarHBondContact O-N 3.27Å; C113-V115 VanDerWaalsContact C-N 3.32Å; V115-T119 WeakPolarHBondContact O-CB 3.48Å; V115-T119 PolarHBondContact O-N 3.11Å; V115-T119 VanDerWaalsContact O-N 3.17Å; V115-T119 PolarHBondContact O-OG1 3.23Å
116	G	91	Very high	95.4	Very high	15 Å²	15	14.7 Å²	14.7	16%	0.155	9%	0.088	C	C	.	.	H	α-helix	trans	-60.9	-67.7	-179.7	0	0	0	0	0	112.6	S112 N118 T119 D120	S112-G116 PolarHBondContact O-N 3.41Å; G116-N118 PolarHBondContact O-N 3Å; G116-T119 WeakPolarHBondContact O-CB 3.49Å; G116-T119 PolarHBondContact O-N 2.93Å; G116-D120 VanDerWaalsContact O-CG 3.31Å; G116-D120 PolarHBondContact O-N 2.96Å
117	D	94.1	Very high	95.5	Very high	3 Å²	3	14.1 Å²	14.1	2%	0.016	9%	0.085	C	C	.	.	H	α-helix	trans	-65.7	-41	-172.7	-98.7	24.4	0	0	0	113.3	C113 T119 D120 L121 T242 Y243 R245 R351	C113-D117 HydrophobicContact CB-CB 4.42Å; C113-D117 WeakPolarHBondContact O-CB 3.34Å; C113-D117 PolarHBondContact O-N 3.21Å; D117-T119 VanDerWaalsContact C-N 3.3Å; D117-T119 PolarHBondContact O-N 3.37Å; D117-D120 PolarHBondContact O-N 3.24Å; D117-L121 WeakPolarHBondContact O-CG 3.42Å; D117-L121 PolarHBondContact O-N 3.16Å; D117-T242 WeakPolarHBondContact OD2-CA 3.49Å; D117-T242 WeakPolarHBondContact OD2-CB 3.31Å; D117-T242 VanDerWaalsContact OD2-CG2 3.28Å; D117-T242 WeakPolarHBondContact OD2-CG2 3.27Å; D117-Y243 HydrophobicContact CB-CD1 3.83Å; D117-Y243 HydrophobicContact CB-CE1 4.19Å; D117-Y243 VanDerWaalsContact CG-CD1 3.47Å; D117-Y243 WeakPolarHBondContact OD2-CD1 3.5Å; D117-Y243 PolarHBondContact OD2-N 3.45Å; D117-R245 IonicContact OD1-CZ 3.86Å; D117-R245 IonicContact OD1-NH1 3.28Å; D117-R245 PolarHBondContact OD1-NH1 3.04Å; D117-R245 IonicContact OD1-NH2 2.75Å; D117-R245 PolarHBondContact OD1-NH2 3.15Å; D117-R245 IonicContact OD2-CZ 2.88Å; D117-R245 IonicContact OD2-NH1 3.69Å; D117-R245 PolarHBondContact OD2-NH1 3.16Å; D117-R245 IonicContact OD2-NH2 2.73Å; D117-R351 IonicContact OD1-NH1 3.27Å
118	N	97.3	Very high	95.6	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.9	-35.6	177.5	-75.4	-45.7	0	0	0	111.6	L42 Y114 G116 L121 I122 F195 R196 G197	L42-N118 HydrophobicContact CD1-CB 3.89Å; L42-N118 HydrophobicContact CD2-CB 4.03Å; Y114-N118 VanDerWaalsContact O-CB 3.24Å; Y114-N118 WeakPolarHBondContact O-CB 3.28Å; Y114-N118 PolarHBondContact O-ND2 2.65Å; G116-N118 PolarHBondContact O-N 3Å; N118-L121 PolarHBondContact O-N 2.75Å; N118-I122 WeakPolarHBondContact O-CD1 3.27Å; N118-I122 VanDerWaalsContact O-CG1 3.28Å; N118-I122 WeakPolarHBondContact O-CG1 3.39Å; N118-I122 PolarHBondContact O-N 2.85Å; N118-F195 HydrophobicContact CB-CD2 4.46Å; N118-F195 HydrophobicContact CB-CE1 4.25Å; N118-F195 HydrophobicContact CB-CE2 3.54Å; N118-F195 HydrophobicContact CB-CZ 3.42Å; N118-F195 VanDerWaalsContact CB-CZ 3.42Å; N118-F195 WeakPolarHBondContact OD1-CD2 3.23Å; N118-F195 VanDerWaalsContact OD1-CE1 3.3Å; N118-F195 WeakPolarHBondContact OD1-CE1 3.43Å; N118-F195 VanDerWaalsContact OD1-CE2 3.28Å; N118-F195 WeakPolarHBondContact OD1-CE2 3.38Å; N118-F195 WeakPolarHBondContact OD1-CZ 3.47Å; N118-R196 VanDerWaalsContact OD1-CB 3.31Å; N118-R196 WeakPolarHBondContact OD1-CB 3.34Å; N118-R196 PolarHBondContact OD1-N 3.23Å; N118-G197 PolarHBondContact ND2-O 3.46Å; N118-G197 VanDerWaalsContact ND2-O 3.1Å; N118-G197 PolarHBondContact OD1-N 3.01Å
119	T	96.8	Very high	95.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65.8	-43	173.8	-64.5	0	0	0	0	111	K35 T38 L42 V115 G116 D117 L121 I122 I123	K35-T119 HydrophobicContact CG-CG2 4.26Å; T38-T119 HydrophobicContact CG2-CG2 3.85Å; L42-T119 WeakPolarHBondContact CD1-OG1 3.42Å; V115-T119 WeakPolarHBondContact O-CB 3.48Å; V115-T119 PolarHBondContact O-N 3.11Å; V115-T119 VanDerWaalsContact O-N 3.17Å; V115-T119 PolarHBondContact O-OG1 3.23Å; G116-T119 WeakPolarHBondContact O-CB 3.49Å; G116-T119 PolarHBondContact O-N 2.93Å; D117-T119 VanDerWaalsContact C-N 3.3Å; D117-T119 PolarHBondContact O-N 3.37Å; T119-L121 VanDerWaalsContact C-N 3.32Å; T119-L121 PolarHBondContact O-N 3.43Å; T119-I122 WeakPolarHBondContact O-CB 3.17Å; T119-I122 PolarHBondContact O-N 3.15Å; T119-I122 VanDerWaalsContact O-N 3.16Å; T119-I123 HydrophobicContact CG2-CD1 3.8Å; T119-I123 HydrophobicContact CG2-CG1 4.31Å; T119-I123 WeakPolarHBondContact O-CB 3.24Å; T119-I123 WeakPolarHBondContact O-CG1 3.15Å; T119-I123 PolarHBondContact O-N 2.89Å
120	D	94.6	Very high	96	Very high	17 Å²	17	14.6 Å²	14.6	9%	0.091	9%	0.085	C	C	.	.	H	α-helix	trans	-61.4	-42	177.1	-62.3	-32.1	0	0	0	111.4	G116 D117 I122 I123 L124 R351	G116-D120 VanDerWaalsContact O-CG 3.31Å; G116-D120 PolarHBondContact O-N 2.96Å; D117-D120 PolarHBondContact O-N 3.24Å; D120-I122 VanDerWaalsContact C-N 3.32Å; D120-I122 PolarHBondContact O-N 3.35Å; D120-I123 WeakPolarHBondContact O-CB 3.06Å; D120-I123 PolarHBondContact O-N 2.88Å; D120-L124 WeakPolarHBondContact O-CB 3.45Å; D120-L124 VanDerWaalsContact O-CG 3.23Å; D120-L124 WeakPolarHBondContact O-CG 3.19Å; D120-L124 PolarHBondContact O-N 3.27Å; D120-R351 IonicContact OD2-CZ 2.65Å; D120-R351 IonicContact OD2-NH1 3.5Å; D120-R351 PolarHBondContact OD2-NH1 3.45Å; D120-R351 IonicContact OD2-NH2 3.88Å; D120-R351 PolarHBondContact OD2-NH2 3.22Å
121	L	97.1	Very high	96.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.5	-38.3	175.3	-69.2	166.4	0	0	0	112.4	D117 N118 T119 R125 L193 R194 R196 F232 Y243	D117-L121 WeakPolarHBondContact O-CG 3.42Å; D117-L121 PolarHBondContact O-N 3.16Å; N118-L121 PolarHBondContact O-N 2.75Å; T119-L121 VanDerWaalsContact C-N 3.32Å; T119-L121 PolarHBondContact O-N 3.43Å; L121-R125 WeakPolarHBondContact O-CB 3.37Å; L121-R125 PolarHBondContact O-N 2.98Å; L121-L193 HydrophobicContact CD2-CD1 3.98Å; L121-L193 HydrophobicContact CD2-CD2 4.42Å; L121-L193 HydrophobicContact CD2-CG 4.2Å; L121-R194 WeakPolarHBondContact CD1-O 3.41Å; L121-R196 HydrophobicContact CD1-CB 4.12Å; L121-F232 HydrophobicContact CB-CZ 4.19Å; L121-Y243 HydrophobicContact CD1-CD1 3.75Å; L121-Y243 HydrophobicContact CD1-CE1 4.3Å; L121-Y243 HydrophobicContact CD1-CG 4.22Å; L121-Y243 HydrophobicContact CD2-CD1 3.99Å; L121-Y243 HydrophobicContact CD2-CD2 4.4Å; L121-Y243 HydrophobicContact CD2-CE1 3.94Å; L121-Y243 HydrophobicContact CD2-CE2 4.41Å; L121-Y243 HydrophobicContact CD2-CG 4.21Å; L121-Y243 HydrophobicContact CG-CD1 3.8Å; L121-Y243 HydrophobicContact CG-CE1 3.82Å; L121-Y243 HydrophobicContact CG-CG 4.43Å
122	I	98.3	Very high	96.5	Very high	9 Å²	9	13.2 Å²	13.2	5%	0.046	7%	0.074	C	C	.	.	H	α-helix	trans	-64.1	-45.2	173.5	-69.4	163.4	0	0	0	110.5	T38 L42 W45 N118 T119 D120 R125 N126 F195 F232	T38-I122 HydrophobicContact CG2-CD1 3.85Å; T38-I122 HydrophobicContact CG2-CG2 4.43Å; L42-I122 HydrophobicContact CD2-CD1 4.29Å; W45-I122 HydrophobicContact CZ3-CD1 4.27Å; N118-I122 WeakPolarHBondContact O-CD1 3.27Å; N118-I122 VanDerWaalsContact O-CG1 3.28Å; N118-I122 WeakPolarHBondContact O-CG1 3.39Å; N118-I122 PolarHBondContact O-N 2.85Å; T119-I122 WeakPolarHBondContact O-CB 3.17Å; T119-I122 PolarHBondContact O-N 3.15Å; T119-I122 VanDerWaalsContact O-N 3.16Å; D120-I122 VanDerWaalsContact C-N 3.32Å; D120-I122 PolarHBondContact O-N 3.35Å; I122-R125 PolarHBondContact O-N 3.21Å; I122-N126 WeakPolarHBondContact O-CB 3.44Å; I122-N126 PolarHBondContact O-N 3.16Å; I122-N126 PolarHBondContact O-ND2 2.73Å; I122-N126 PolarHBondContact O-OD1 3.05Å; I122-F195 HydrophobicContact CD1-CE2 4.25Å; I122-F195 HydrophobicContact CG1-CE2 4.24Å; I122-F232 HydrophobicContact CG1-CE2 3.96Å
123	I	97.2	Very high	96.8	Very high	9 Å²	9	13 Å²	13	5%	0.046	7%	0.072	C	C	.	.	H	α-helix	trans	-59.2	-49.6	176.5	-73.8	171.9	0	0	0	110.3	V29 F30 Y34 T119 D120 R125 N126 A127	V29-I123 HydrophobicContact CG1-CB 4.44Å; V29-I123 HydrophobicContact CG1-CG2 3.87Å; F30-I123 HydrophobicContact CD1-CG2 3.69Å; F30-I123 HydrophobicContact CE1-CG2 3.31Å; F30-I123 HydrophobicContact CE2-CG2 4.32Å; F30-I123 HydrophobicContact CG-CG2 4.35Å; F30-I123 HydrophobicContact CZ-CG2 3.67Å; Y34-I123 HydrophobicContact CD1-CG1 4.01Å; Y34-I123 HydrophobicContact CE1-CG1 3.99Å; T119-I123 HydrophobicContact CG2-CD1 3.8Å; T119-I123 HydrophobicContact CG2-CG1 4.31Å; T119-I123 WeakPolarHBondContact O-CB 3.24Å; T119-I123 WeakPolarHBondContact O-CG1 3.15Å; T119-I123 PolarHBondContact O-N 2.89Å; D120-I123 WeakPolarHBondContact O-CB 3.06Å; D120-I123 PolarHBondContact O-N 2.88Å; I123-R125 PolarHBondContact O-N 3.42Å; I123-N126 PolarHBondContact O-N 3.31Å; I123-A127 VanDerWaalsContact O-CB 3.27Å; I123-A127 WeakPolarHBondContact O-CB 3.48Å; I123-A127 PolarHBondContact O-N 2.85Å
124	L	97.3	Very high	97.1	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-59.8	-46	179.4	-69.8	175.2	0	0	0	111.8	D120 N126 A127 L128 L193 V251 L355 F359	D120-L124 WeakPolarHBondContact O-CB 3.45Å; D120-L124 VanDerWaalsContact O-CG 3.23Å; D120-L124 WeakPolarHBondContact O-CG 3.19Å; D120-L124 PolarHBondContact O-N 3.27Å; L124-N126 PolarHBondContact O-N 3.18Å; L124-A127 PolarHBondContact O-N 3.48Å; L124-L128 WeakPolarHBondContact O-CG 2.95Å; L124-L128 PolarHBondContact O-N 2.74Å; L124-L193 HydrophobicContact CB-CD2 4.31Å; L124-V251 HydrophobicContact CD2-CG1 4.43Å; L124-L355 HydrophobicContact CD2-CD1 4.42Å; L124-L355 HydrophobicContact CD2-CD2 4.37Å; L124-F359 HydrophobicContact CD2-CD2 4.27Å; L124-F359 HydrophobicContact CD2-CE2 3.4Å; L124-F359 HydrophobicContact CD2-CZ 4Å
125	R	98.6	Very high	97.2	Very high	37 Å²	37	13.5 Å²	13.5	14%	0.14	7%	0.073	C	C	.	.	H	α-helix	trans	-60.1	-47.4	176.6	-171.3	-174.2	66.9	-164	-4.4	111.4	L121 I122 I123 L128 D129 L193 A230 G231 F232	L121-R125 WeakPolarHBondContact O-CB 3.37Å; L121-R125 PolarHBondContact O-N 2.98Å; I122-R125 PolarHBondContact O-N 3.21Å; I123-R125 PolarHBondContact O-N 3.42Å; R125-L128 PolarHBondContact O-N 2.85Å; R125-D129 PolarHBondContact O-N 2.93Å; R125-L193 HydrophobicContact CB-CD2 4Å; R125-A230 PolarHBondContact NH1-O 2.96Å; R125-A230 PolarHBondContact NH2-O 2.87Å; R125-A230 VanDerWaalsContact NH2-O 3.17Å; R125-G231 VanDerWaalsContact NH1-C 3.27Å; R125-G231 PolarHBondContact NH1-O 3.44Å; R125-F232 HydrophobicContact CB-CZ 4.19Å
126	N	98.3	Very high	97.4	Very high	37 Å²	37	13.5 Å²	13.5	20%	0.198	7%	0.073	C	C	.	.	H	α-helix	trans	-68.5	-37.2	-178	-67.1	-8.5	0	0	0	111.6	Y34 I122 I123 L124 D129 L130	Y34-N126 PolarHBondContact OH-ND2 3.33Å; I122-N126 WeakPolarHBondContact O-CB 3.44Å; I122-N126 PolarHBondContact O-N 3.16Å; I122-N126 PolarHBondContact O-ND2 2.73Å; I122-N126 PolarHBondContact O-OD1 3.05Å; I123-N126 PolarHBondContact O-N 3.31Å; L124-N126 PolarHBondContact O-N 3.18Å; N126-D129 PolarHBondContact O-N 2.9Å; N126-L130 WeakPolarHBondContact O-CG 3.42Å; N126-L130 PolarHBondContact O-N 3.04Å
127	A	98.2	Very high	97.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.3	-41.3	175.1	0	0	0	0	0	111.5	M26 V29 F30 I123 L124 D129 L130 L131 F359	M26-A127 HydrophobicContact CE-CB 4.29Å; M26-A127 HydrophobicContact SD-CB 3.8Å; V29-A127 HydrophobicContact CG1-CB 4.29Å; F30-A127 HydrophobicContact CE2-CB 3.89Å; F30-A127 HydrophobicContact CZ-CB 4.1Å; I123-A127 VanDerWaalsContact O-CB 3.27Å; I123-A127 WeakPolarHBondContact O-CB 3.48Å; I123-A127 PolarHBondContact O-N 2.85Å; L124-A127 PolarHBondContact O-N 3.48Å; A127-D129 VanDerWaalsContact C-N 3.34Å; A127-D129 PolarHBondContact O-N 3.37Å; A127-L130 PolarHBondContact O-N 3.44Å; A127-L131 WeakPolarHBondContact O-CG 3.5Å; A127-L131 PolarHBondContact O-N 3Å; A127-L131 VanDerWaalsContact O-N 3.1Å; A127-F359 HydrophobicContact CB-CB 4.33Å; A127-F359 HydrophobicContact CB-CD1 3.33Å; A127-F359 HydrophobicContact CB-CD2 4.31Å; A127-F359 HydrophobicContact CB-CE1 3.57Å; A127-F359 HydrophobicContact CB-CG 3.74Å; A127-F359 HydrophobicContact CB-CZ 4.18Å
128	L	98.5	Very high	98	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.5	-43.5	171.1	-72.3	165.9	0	0	0	111.6	L124 R125 L130 L131 L132 L186 V189 R190 F359	L124-L128 WeakPolarHBondContact O-CG 2.95Å; L124-L128 PolarHBondContact O-N 2.74Å; R125-L128 PolarHBondContact O-N 2.85Å; L128-L130 PolarHBondContact O-N 2.88Å; L128-L131 PolarHBondContact O-N 2.95Å; L128-L131 VanDerWaalsContact O-N 3.12Å; L128-L132 VanDerWaalsContact O-CG 3.29Å; L128-L132 WeakPolarHBondContact O-CG 3.45Å; L128-L132 PolarHBondContact O-N 2.88Å; L128-L186 HydrophobicContact CD2-CG 4.14Å; L128-V189 HydrophobicContact CD1-CG1 4.12Å; L128-R190 HydrophobicContact CB-CB 4.12Å; L128-R190 HydrophobicContact CB-CG 4.08Å; L128-R190 HydrophobicContact CD1-CB 3.96Å; L128-R190 HydrophobicContact CD1-CG 4.48Å; L128-F359 HydrophobicContact CD2-CE1 3.93Å; L128-F359 HydrophobicContact CD2-CZ 4.17Å; L128-F359 HydrophobicContact CG-CE1 3.89Å; L128-F359 HydrophobicContact CG-CZ 4.02Å
129	D	98.4	Very high	98	Very high	53 Å²	53	13.5 Å²	13.5	28%	0.283	7%	0.068	S	C	.	.	H	α-helix	trans	-62.9	-25.8	177.3	-75.9	-17.2	0	0	0	112.9	R125 N126 A127 P133 R190	R125-D129 PolarHBondContact O-N 2.93Å; N126-D129 PolarHBondContact O-N 2.9Å; A127-D129 VanDerWaalsContact C-N 3.34Å; A127-D129 PolarHBondContact O-N 3.37Å; D129-P133 WeakPolarHBondContact O-CD 3.38Å; D129-P133 WeakPolarHBondContact O-CG 3.35Å; D129-R190 WeakPolarHBondContact OD1-CG 3.38Å; D129-R190 IonicContact OD1-CZ 2.58Å; D129-R190 IonicContact OD1-NE 2.92Å; D129-R190 PolarHBondContact OD1-NE 3.34Å; D129-R190 IonicContact OD1-NH2 3.66Å; D129-R190 PolarHBondContact OD1-NH2 3.27Å; D129-R190 IonicContact OD2-CZ 2.66Å; D129-R190 IonicContact OD2-NE 3.43Å; D129-R190 PolarHBondContact OD2-NE 3.42Å; D129-R190 IonicContact OD2-NH2 3Å; D129-R190 PolarHBondContact OD2-NH2 3.01Å
130	L	98.3	Very high	98.1	Very high	50 Å²	50	14.3 Å²	14.3	26%	0.262	7%	0.074	S	C	.	.	H	α-helix	trans	-79	-36.5	171.9	-69	178	0	0	0	113.2	E25 M26 V29 N126 A127 L128 P133	E25-L130 HydrophobicContact CB-CD1 4.19Å; E25-L130 HydrophobicContact CB-CD2 4.4Å; M26-L130 HydrophobicContact CE-CB 3.71Å; M26-L130 HydrophobicContact CE-CD1 4.01Å; M26-L130 HydrophobicContact SD-CD1 4.18Å; V29-L130 HydrophobicContact CG2-CD1 3.82Å; N126-L130 WeakPolarHBondContact O-CG 3.42Å; N126-L130 PolarHBondContact O-N 3.04Å; A127-L130 PolarHBondContact O-N 3.44Å; L128-L130 PolarHBondContact O-N 2.88Å; L130-P133 WeakPolarHBondContact O-CD 3.36Å
131	L	98.6	Very high	98.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-74.3	-41.1	-179.3	-66	-176.9	0	0	0	112.7	M26 A127 L128 K134 L135 L186 L255 F359 A362 D363 L366	M26-L131 HydrophobicContact CE-CD2 3.75Å; M26-L131 HydrophobicContact CE-CG 3.97Å; A127-L131 WeakPolarHBondContact O-CG 3.5Å; A127-L131 PolarHBondContact O-N 3Å; A127-L131 VanDerWaalsContact O-N 3.1Å; L128-L131 PolarHBondContact O-N 2.95Å; L128-L131 VanDerWaalsContact O-N 3.12Å; L131-K134 WeakPolarHBondContact O-CB 3.35Å; L131-K134 PolarHBondContact O-N 3.26Å; L131-L135 PolarHBondContact O-N 3Å; L131-L186 HydrophobicContact CB-CD2 4.14Å; L131-L186 HydrophobicContact CD1-CD2 4.48Å; L131-L255 HydrophobicContact CD1-CD2 3.74Å; L131-F359 HydrophobicContact CD1-CD1 3.56Å; L131-F359 HydrophobicContact CD1-CE1 3.86Å; L131-F359 HydrophobicContact CG-CD1 4.25Å; L131-A362 HydrophobicContact CD1-CB 3.78Å; L131-A362 HydrophobicContact CD2-CB 4.04Å; L131-D363 HydrophobicContact CD2-CB 3.99Å; L131-L366 HydrophobicContact CB-CD1 4.2Å; L131-L366 HydrophobicContact CD2-CD1 4.02Å
132	L	98.7	Very high	98.4	Very high	6 Å²	6	15.7 Å²	15.7	3%	0.031	8%	0.078	C	C	.	.	H	α-helix	trans	-49.7	-52.9	-178.1	-76.7	169.6	0	0	0	114.1	L128 K134 L135 A136 L183 L186 K187 R190 Y486	L128-L132 VanDerWaalsContact O-CG 3.29Å; L128-L132 WeakPolarHBondContact O-CG 3.45Å; L128-L132 PolarHBondContact O-N 2.88Å; L132-K134 VanDerWaalsContact C-N 3.31Å; L132-K134 PolarHBondContact O-N 3.41Å; L132-L135 PolarHBondContact O-N 2.94Å; L132-A136 WeakPolarHBondContact O-CB 3.1Å; L132-A136 PolarHBondContact O-N 3.41Å; L132-L183 HydrophobicContact CD2-CD1 3.77Å; L132-L186 HydrophobicContact CD2-CB 3.68Å; L132-L186 HydrophobicContact CG-CB 4.5Å; L132-K187 HydrophobicContact CD2-CB 4.32Å; L132-R190 HydrophobicContact CD1-CB 4.45Å; L132-R190 HydrophobicContact CD1-CG 4.31Å; L132-Y486 HydrophobicContact CB-CE1 4Å
133	P	98.3	Very high	98.4	Very high	26 Å²	26	15.2 Å²	15.2	17%	0.169	8%	0.076	C	C	.	.	H	α-helix	trans	-69.2	-27.9	179.2	28.1	-36.4	0	0	0	113	D129 L130 R137 Y486 V489	D129-P133 WeakPolarHBondContact O-CD 3.38Å; D129-P133 WeakPolarHBondContact O-CG 3.35Å; L130-P133 WeakPolarHBondContact O-CD 3.36Å; P133-R137 WeakPolarHBondContact O-CG 3.36Å; P133-R137 PolarHBondContact O-N 2.98Å; P133-R137 PolarHBondContact O-NH1 2.96Å; P133-Y486 HydrophobicContact CB-CD1 4.27Å; P133-V489 HydrophobicContact CB-CG2 3.83Å
134	K	98.4	Very high	98.4	Very high	19 Å²	19	18.9 Å²	18.9	8%	0.083	10%	0.095	C	C	.	.	H	α-helix	trans	-67	-48.3	174.6	-68.6	177	-180	-152.9	0	110.6	S23 L131 L132 A136 R137 V138 D363 L366 N367	S23-K134 PolarHBondContact OG-NZ 3.3Å; L131-K134 WeakPolarHBondContact O-CB 3.35Å; L131-K134 PolarHBondContact O-N 3.26Å; L132-K134 VanDerWaalsContact C-N 3.31Å; L132-K134 PolarHBondContact O-N 3.41Å; K134-A136 PolarHBondContact O-N 3.05Å; K134-R137 PolarHBondContact O-N 3.21Å; K134-V138 WeakPolarHBondContact O-CG2 3.48Å; K134-V138 PolarHBondContact O-N 3.26Å; K134-D363 WeakPolarHBondContact CD-OD1 2.95Å; K134-D363 VanDerWaalsContact CE-OD1 3.32Å; K134-D363 WeakPolarHBondContact CE-OD1 3.35Å; K134-D363 VanDerWaalsContact NZ-CG 3.31Å; K134-D363 IonicContact NZ-OD1 2.76Å; K134-D363 PolarHBondContact NZ-OD1 2.67Å; K134-D363 IonicContact NZ-OD2 3.94Å; K134-D363 PolarHBondContact NZ-OD2 3.49Å; K134-L366 HydrophobicContact CB-CB 3.95Å; K134-L366 HydrophobicContact CB-CD1 4.04Å; K134-N367 WeakPolarHBondContact CD-OD1 3.45Å; K134-N367 WeakPolarHBondContact CE-OD1 3.15Å; K134-N367 PolarHBondContact NZ-ND2 2.94Å; K134-N367 PolarHBondContact NZ-OD1 2.96Å
135	L	98.7	Very high	98.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62	-43.7	176.4	179.4	55.6	0	0	0	111.8	L131 L132 R137 V138 I139 L179 D182 L183 L186 L258 L366	L131-L135 PolarHBondContact O-N 3Å; L132-L135 PolarHBondContact O-N 2.94Å; L135-R137 VanDerWaalsContact C-N 3.3Å; L135-R137 PolarHBondContact O-N 3.24Å; L135-V138 WeakPolarHBondContact O-CB 3.08Å; L135-V138 PolarHBondContact O-N 2.95Å; L135-I139 HydrophobicContact CD1-CD1 4.14Å; L135-I139 HydrophobicContact CD1-CG1 4.37Å; L135-I139 HydrophobicContact CG-CD1 4.02Å; L135-I139 WeakPolarHBondContact O-CG1 3.19Å; L135-I139 PolarHBondContact O-N 3.12Å; L135-L179 HydrophobicContact CD1-CB 4.09Å; L135-L179 HydrophobicContact CD1-CD2 3.86Å; L135-L179 HydrophobicContact CD1-CG 4.43Å; L135-D182 HydrophobicContact CD2-CB 4.11Å; L135-L183 HydrophobicContact CB-CD1 4.39Å; L135-L183 HydrophobicContact CD2-CB 3.82Å; L135-L183 HydrophobicContact CD2-CD1 4.09Å; L135-L183 HydrophobicContact CG-CB 4.23Å; L135-L183 HydrophobicContact CG-CD1 4.2Å; L135-L186 HydrophobicContact CD2-CD2 4.26Å; L135-L258 HydrophobicContact CD1-CD1 4.17Å; L135-L366 HydrophobicContact CB-CD1 4.05Å; L135-L366 HydrophobicContact CB-CD2 4.15Å; L135-L366 HydrophobicContact CD1-CD2 3.88Å
136	A	98.6	Very high	98.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.6	-38.8	175.7	0	0	0	0	0	112.5	L132 K134 I139 S140 L483 Y486 M490	L132-A136 WeakPolarHBondContact O-CB 3.1Å; L132-A136 PolarHBondContact O-N 3.41Å; K134-A136 PolarHBondContact O-N 3.05Å; A136-I139 PolarHBondContact O-N 3.27Å; A136-S140 WeakPolarHBondContact O-CB 3.39Å; A136-S140 PolarHBondContact O-N 2.96Å; A136-L483 HydrophobicContact CB-CD2 4.1Å; A136-L483 WeakPolarHBondContact O-CD2 3.29Å; A136-Y486 HydrophobicContact CB-CD1 4.29Å; A136-Y486 HydrophobicContact CB-CD2 3.59Å; A136-Y486 HydrophobicContact CB-CE2 4.15Å; A136-Y486 HydrophobicContact CB-CG 3.67Å; A136-M490 HydrophobicContact CB-CE 3.99Å
137	R	98.5	Very high	98.5	Very high	19 Å²	19	22.4 Å²	22.4	7%	0.072	11%	0.11	C	C	.	.	H	α-helix	trans	-65.3	-44.5	173.9	-78	-170.4	-62.3	-89.1	2.2	112.5	P133 K134 L135 I139 S140 R141 Q370 V489 M490 V492	P133-R137 WeakPolarHBondContact O-CG 3.36Å; P133-R137 PolarHBondContact O-N 2.98Å; P133-R137 PolarHBondContact O-NH1 2.96Å; K134-R137 PolarHBondContact O-N 3.21Å; L135-R137 VanDerWaalsContact C-N 3.3Å; L135-R137 PolarHBondContact O-N 3.24Å; R137-I139 VanDerWaalsContact C-N 3.31Å; R137-I139 PolarHBondContact O-N 3.49Å; R137-S140 WeakPolarHBondContact O-CB 3.49Å; R137-S140 PolarHBondContact O-N 3.5Å; R137-R141 WeakPolarHBondContact O-CG 3.08Å; R137-R141 PolarHBondContact O-N 3Å; R137-Q370 HydrophobicContact CB-CG 4.43Å; R137-V489 WeakPolarHBondContact CD-O 3.46Å; R137-V489 PolarHBondContact NH1-O 2.98Å; R137-M490 HydrophobicContact CG-SD 3.98Å; R137-V492 WeakPolarHBondContact CD-O 3.37Å
138	V	98.6	Very high	98.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-55.4	-49.9	175.2	175.1	0	0	0	0	110.4	K134 L135 S140 R141 L142 L179 L366 L369 Q370	K134-V138 WeakPolarHBondContact O-CG2 3.48Å; K134-V138 PolarHBondContact O-N 3.26Å; L135-V138 WeakPolarHBondContact O-CB 3.08Å; L135-V138 PolarHBondContact O-N 2.95Å; V138-S140 VanDerWaalsContact C-N 3.33Å; V138-S140 PolarHBondContact O-N 3.26Å; V138-R141 PolarHBondContact O-N 3.42Å; V138-L142 HydrophobicContact CG1-CD1 4Å; V138-L142 HydrophobicContact CG1-CG 4.49Å; V138-L142 WeakPolarHBondContact O-CG 3.35Å; V138-L142 PolarHBondContact O-N 2.85Å; V138-L179 HydrophobicContact CG1-CD1 3.76Å; V138-L366 HydrophobicContact CG2-CD2 4.47Å; V138-L369 HydrophobicContact CG1-CD2 3.74Å; V138-L369 HydrophobicContact CG1-CG 3.77Å; V138-L369 HydrophobicContact CG2-CB 4.44Å; V138-L369 HydrophobicContact CG2-CG 4.5Å; V138-Q370 HydrophobicContact CG2-CB 3.78Å
139	I	98.8	Very high	98.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.6	-45.5	178.1	-68.3	164	0	0	0	110.6	L135 A136 R137 R141 L142 A143 I176 L179 L183 V479 L483	L135-I139 HydrophobicContact CD1-CD1 4.14Å; L135-I139 HydrophobicContact CD1-CG1 4.37Å; L135-I139 HydrophobicContact CG-CD1 4.02Å; L135-I139 WeakPolarHBondContact O-CG1 3.19Å; L135-I139 PolarHBondContact O-N 3.12Å; A136-I139 PolarHBondContact O-N 3.27Å; R137-I139 VanDerWaalsContact C-N 3.31Å; R137-I139 PolarHBondContact O-N 3.49Å; I139-R141 PolarHBondContact O-N 2.81Å; I139-L142 PolarHBondContact O-N 2.99Å; I139-A143 VanDerWaalsContact O-CB 3.27Å; I139-A143 WeakPolarHBondContact O-CB 3.48Å; I139-A143 PolarHBondContact O-N 3.35Å; I139-I176 HydrophobicContact CG2-CG2 4.09Å; I139-L179 HydrophobicContact CD1-CB 4.02Å; I139-L179 HydrophobicContact CG1-CB 3.66Å; I139-L179 HydrophobicContact CG1-CD1 4.36Å; I139-L183 HydrophobicContact CD1-CB 3.98Å; I139-L183 HydrophobicContact CD1-CD2 3.89Å; I139-L183 HydrophobicContact CD1-CG 4.48Å; I139-V479 HydrophobicContact CG2-CG1 3.64Å; I139-L483 HydrophobicContact CB-CD2 4.04Å; I139-L483 HydrophobicContact CG2-CD1 4.21Å; I139-L483 HydrophobicContact CG2-CD2 3.75Å; I139-L483 HydrophobicContact CG2-CG 4.28Å
140	S	98.6	Very high	98.4	Very high	17 Å²	17	29.9 Å²	29.9	12%	0.119	14%	0.142	C	C	.	.	H	α-helix	trans	-59.2	-46.4	177.6	-178.6	0	0	0	0	112.5	A136 R137 V138 A143 D144	A136-S140 WeakPolarHBondContact O-CB 3.39Å; A136-S140 PolarHBondContact O-N 2.96Å; R137-S140 WeakPolarHBondContact O-CB 3.49Å; R137-S140 PolarHBondContact O-N 3.5Å; V138-S140 VanDerWaalsContact C-N 3.33Å; V138-S140 PolarHBondContact O-N 3.26Å; S140-A143 WeakPolarHBondContact O-CB 3.3Å; S140-A143 PolarHBondContact O-N 3.46Å; S140-D144 VanDerWaalsContact O-CG 3.29Å; S140-D144 PolarHBondContact O-N 3.42Å
141	R	98.3	Very high	98.4	Very high	42 Å²	42	31.7 Å²	31.7	16%	0.158	16%	0.159	C	C	.	.	H	α-helix	trans	-66.2	-41.2	-179.2	-64.2	-61.8	-175.5	-88.1	-10.3	111.9	R137 V138 I139 A143 D144 F145 S373 E374 M490 V492	R137-R141 WeakPolarHBondContact O-CG 3.08Å; R137-R141 PolarHBondContact O-N 3Å; V138-R141 PolarHBondContact O-N 3.42Å; I139-R141 PolarHBondContact O-N 2.81Å; R141-A143 VanDerWaalsContact C-N 3.32Å; R141-D144 PolarHBondContact O-N 2.98Å; R141-F145 WeakPolarHBondContact O-CB 3.26Å; R141-F145 PolarHBondContact O-N 3.29Å; R141-S373 WeakPolarHBondContact CB-OG 3.45Å; R141-E374 HydrophobicContact CG-CG 3.72Å; R141-E374 IonicContact CZ-OE1 2.67Å; R141-E374 IonicContact NE-OE1 2.69Å; R141-E374 PolarHBondContact NE-OE1 2.91Å; R141-E374 IonicContact NH2-OE1 3.67Å; R141-E374 PolarHBondContact NH2-OE1 3.44Å; R141-E374 VanDerWaalsContact NH2-OE1 3.11Å; R141-M490 PolarHBondContact NH1-O 3.47Å; R141-M490 VanDerWaalsContact NH1-O 3.14Å; R141-M490 PolarHBondContact NH2-O 3.38Å; R141-V492 PolarHBondContact NH2-O 3.19Å
142	L	98.6	Very high	98.4	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	17%	0.167	C	C	.	.	H	α-helix	trans	-65.8	-36.1	174	-69.2	177.9	0	0	0	111.7	V138 I139 F145 A146 C172 W175 I176 L179 L376	V138-L142 HydrophobicContact CG1-CD1 4Å; V138-L142 HydrophobicContact CG1-CG 4.49Å; V138-L142 WeakPolarHBondContact O-CG 3.35Å; V138-L142 PolarHBondContact O-N 2.85Å; I139-L142 PolarHBondContact O-N 2.99Å; L142-F145 PolarHBondContact O-N 3Å; L142-A146 VanDerWaalsContact O-CB 3.23Å; L142-A146 WeakPolarHBondContact O-CB 3.23Å; L142-A146 PolarHBondContact O-N 3.1Å; L142-C172 PolarHBondContact O-SG 2.8Å; L142-C172 VanDerWaalsContact O-SG 3.34Å; L142-W175 HydrophobicContact CD2-CE3 4.42Å; L142-I176 HydrophobicContact CB-CD1 4.01Å; L142-I176 HydrophobicContact CB-CG1 3.64Å; L142-I176 HydrophobicContact CD1-CG1 4.46Å; L142-L179 HydrophobicContact CD1-CD1 3.72Å; L142-L376 HydrophobicContact CD2-CD1 4.34Å
143	A	98.6	Very high	98.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.7	-42.3	175.4	0	0	0	0	0	112.2	I139 S140 R141 A146 K147 I176 L475 V479 Y480	I139-A143 VanDerWaalsContact O-CB 3.27Å; I139-A143 WeakPolarHBondContact O-CB 3.48Å; I139-A143 PolarHBondContact O-N 3.35Å; S140-A143 WeakPolarHBondContact O-CB 3.3Å; S140-A143 PolarHBondContact O-N 3.46Å; R141-A143 VanDerWaalsContact C-N 3.32Å; A143-A146 PolarHBondContact O-N 3.18Å; A143-K147 WeakPolarHBondContact O-CB 3.4Å; A143-K147 PolarHBondContact O-N 3.48Å; A143-I176 HydrophobicContact CB-CD1 4.39Å; A143-L475 HydrophobicContact CB-CD2 3.75Å; A143-V479 HydrophobicContact CB-CG1 4.22Å; A143-Y480 HydrophobicContact CB-CE1 4.47Å
144	D	98.3	Very high	98.4	Very high	86 Å²	86	33 Å²	33	46%	0.46	17%	0.166	S	C	.	.	H	α-helix	trans	-59.4	-48.1	173.6	-66.9	-28.5	0	0	0	110.5	S140 R141 A146 K147 E148	S140-D144 VanDerWaalsContact O-CG 3.29Å; S140-D144 PolarHBondContact O-N 3.42Å; R141-D144 PolarHBondContact O-N 2.98Å; D144-A146 PolarHBondContact O-N 2.65Å; D144-K147 PolarHBondContact O-N 3.41Å; D144-E148 PolarHBondContact O-N 2.97Å
145	F	98.4	Very high	98.4	Very high	15 Å²	15	32.1 Å²	32.1	7%	0.066	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-43.2	175.6	179.6	-96.9	0	0	0	112.6	R141 L142 K147 E148 R149 V168 C172 M278 L376 V378	R141-F145 WeakPolarHBondContact O-CB 3.26Å; R141-F145 PolarHBondContact O-N 3.29Å; L142-F145 PolarHBondContact O-N 3Å; F145-K147 VanDerWaalsContact C-N 3.32Å; F145-K147 PolarHBondContact O-N 3.41Å; F145-E148 PolarHBondContact O-N 3.2Å; F145-R149 HydrophobicContact CD2-CG 4.29Å; F145-R149 HydrophobicContact CE1-CG 4.4Å; F145-R149 HydrophobicContact CE2-CG 3.98Å; F145-R149 HydrophobicContact CZ-CG 4.04Å; F145-R149 WeakPolarHBondContact O-CB 3.47Å; F145-R149 WeakPolarHBondContact O-CG 3.36Å; F145-R149 PolarHBondContact O-N 3.02Å; F145-V168 HydrophobicContact CE1-CG1 3.72Å; F145-V168 HydrophobicContact CZ-CG1 3.76Å; F145-C172 HydrophobicContact CD1-CB 4.13Å; F145-C172 HydrophobicContact CE1-CB 4.43Å; F145-M278 HydrophobicContact CE1-CE 3.99Å; F145-M278 HydrophobicContact CZ-CE 3.69Å; F145-M278 HydrophobicContact CZ-SD 4.37Å; F145-L376 HydrophobicContact CD1-CD1 4.34Å; F145-L376 HydrophobicContact CD2-CB 4.32Å; F145-L376 HydrophobicContact CD2-CD1 4.46Å; F145-L376 HydrophobicContact CE1-CD1 4.27Å; F145-L376 HydrophobicContact CE2-CB 3.97Å; F145-L376 HydrophobicContact CE2-CD1 4.39Å; F145-L376 HydrophobicContact CG-CD1 4.44Å; F145-L376 HydrophobicContact CZ-CB 4.42Å; F145-L376 HydrophobicContact CZ-CD1 4.29Å; F145-V378 HydrophobicContact CE2-CG2 3.6Å; F145-V378 HydrophobicContact CZ-CG2 3.52Å
146	A	98.4	Very high	98.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.2	-40.9	179.5	0	0	0	0	0	111.4	L142 A143 D144 R149 A150 G169 C172 I176 V471	L142-A146 VanDerWaalsContact O-CB 3.23Å; L142-A146 WeakPolarHBondContact O-CB 3.23Å; L142-A146 PolarHBondContact O-N 3.1Å; A143-A146 PolarHBondContact O-N 3.18Å; D144-A146 PolarHBondContact O-N 2.65Å; A146-R149 CarbonylContact O-C 3.09Å; A146-R149 PolarHBondContact O-N 3.32Å; A146-A150 VanDerWaalsContact O-CA 3.29Å; A146-A150 WeakPolarHBondContact O-CA 3.14Å; A146-A150 WeakPolarHBondContact O-CB 3.29Å; A146-A150 PolarHBondContact O-N 3.06Å; A146-G169 WeakPolarHBondContact O-CA 3.28Å; A146-C172 HydrophobicContact CB-CB 3.92Å; A146-I176 HydrophobicContact CB-CD1 3.83Å; A146-V471 HydrophobicContact CB-CG1 4.45Å
147	K	98.4	Very high	98.3	Very high	134 Å²	134	35.2 Å²	35.2	58%	0.583	18%	0.178	S	C	*	.	H	α-helix	trans	-65.4	-47.5	176.3	-173.6	177.2	-176.8	173.7	0	111.7	A143 D144 F145 R149 A150 L475	A143-K147 WeakPolarHBondContact O-CB 3.4Å; A143-K147 PolarHBondContact O-N 3.48Å; D144-K147 PolarHBondContact O-N 3.41Å; F145-K147 VanDerWaalsContact C-N 3.32Å; F145-K147 PolarHBondContact O-N 3.41Å; K147-R149 VanDerWaalsContact C-N 3.25Å; K147-R149 PolarHBondContact O-N 2.81Å; K147-A150 WeakPolarHBondContact O-CB 3.33Å; K147-A150 PolarHBondContact O-N 3.37Å; K147-L475 HydrophobicContact CB-CD1 3.93Å
148	E	98.3	Very high	98.1	Very high	128 Å²	128	38.3 Å²	38.3	60%	0.598	20%	0.199	S	C	*	.	H	α-helix	trans	-60	-37.4	178	-171.7	-168.4	152.7	0	0	111.9	D144 F145	D144-E148 PolarHBondContact O-N 2.97Å; F145-E148 PolarHBondContact O-N 3.2Å
149	R	98	Very high	98	Very high	68 Å²	68	47.1 Å²	47.1	26%	0.257	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	17.8	-175.8	-51.7	-56.5	176.2	169.2	-3.5	113.6	F145 A146 K147 S151 L152 V168 G169	F145-R149 HydrophobicContact CD2-CG 4.29Å; F145-R149 HydrophobicContact CE1-CG 4.4Å; F145-R149 HydrophobicContact CE2-CG 3.98Å; F145-R149 HydrophobicContact CZ-CG 4.04Å; F145-R149 WeakPolarHBondContact O-CB 3.47Å; F145-R149 WeakPolarHBondContact O-CG 3.36Å; F145-R149 PolarHBondContact O-N 3.02Å; A146-R149 CarbonylContact O-C 3.09Å; A146-R149 PolarHBondContact O-N 3.32Å; K147-R149 VanDerWaalsContact C-N 3.25Å; K147-R149 PolarHBondContact O-N 2.81Å; R149-S151 PolarHBondContact O-N 3.29Å; R149-L152 HydrophobicContact CB-CB 4.42Å; R149-L152 PolarHBondContact O-N 3.46Å; R149-V168 HydrophobicContact CB-CB 3.98Å; R149-V168 HydrophobicContact CB-CG1 3.9Å; R149-V168 HydrophobicContact CG-CG1 4.29Å; R149-G169 WeakPolarHBondContact O-CA 3.48Å; R149-G169 PolarHBondContact O-N 2.94Å
150	A	97.9	Very high	97.9	Very high	14 Å²	14	51.5 Å²	51.5	12%	0.116	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-35.1	-174.3	0	0	0	0	0	113.1	A146 K147 T167 V471	A146-A150 VanDerWaalsContact O-CA 3.29Å; A146-A150 WeakPolarHBondContact O-CA 3.14Å; A146-A150 WeakPolarHBondContact O-CB 3.29Å; A146-A150 PolarHBondContact O-N 3.06Å; K147-A150 WeakPolarHBondContact O-CB 3.33Å; K147-A150 PolarHBondContact O-N 3.37Å; A150-T167 WeakPolarHBondContact O-CB 3.45Å; A150-T167 VanDerWaalsContact O-CG2 3.31Å; A150-T167 WeakPolarHBondContact O-CG2 3Å; A150-T167 PolarHBondContact O-OG1 3Å; A150-V471 HydrophobicContact CB-CB 4.17Å; A150-V471 HydrophobicContact CB-CG1 3.86Å; A150-V471 HydrophobicContact CB-CG2 4.45Å
151	S	97.9	Very high	97.7	Very high	88 Å²	88	56.6 Å²	56.6	62%	0.615	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	7.6	-176.7	-55.8	0	0	0	0	114	R149 P153	R149-S151 PolarHBondContact O-N 3.29Å; S151-P153 WeakPolarHBondContact O-CD 3.23Å
152	L	98.2	Very high	97.6	Very high	33 Å²	33	57 Å²	57	17%	0.173	29%	0.288	C	S	.	.			trans	-82	107.2	179.3	176.2	59.2	0	0	0	109.9	R149 T167 V168 V378 P380 I383	R149-L152 HydrophobicContact CB-CB 4.42Å; R149-L152 PolarHBondContact O-N 3.46Å; L152-T167 CarbonylContact O-C 3.53Å; L152-T167 WeakPolarHBondContact O-CA 3.45Å; L152-T167 VanDerWaalsContact O-CB 3.24Å; L152-T167 WeakPolarHBondContact O-CB 3.49Å; L152-V168 HydrophobicContact CB-CB 4.41Å; L152-V168 HydrophobicContact CB-CG2 4.39Å; L152-V168 HydrophobicContact CD2-CB 4.18Å; L152-V168 HydrophobicContact CD2-CG2 3.75Å; L152-V168 HydrophobicContact CG-CB 4.41Å; L152-V168 HydrophobicContact CG-CG2 3.9Å; L152-V168 PolarHBondContact O-N 2.97Å; L152-V378 HydrophobicContact CD2-CG1 3.85Å; L152-P380 HydrophobicContact CD1-CB 4.43Å; L152-I383 HydrophobicContact CD2-CD1 4.43Å
153	P	98.3	Very high	97.4	Very high	26 Å²	26	57.8 Å²	57.8	17%	0.169	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	143.8	-178.2	-19.5	35.2	0	0	0	110.9	S151 L165 T166 I383 I387 P460 T464	S151-P153 WeakPolarHBondContact O-CD 3.23Å; P153-L165 HydrophobicContact CB-CD1 4.48Å; P153-T166 CarbonylContact C-O 3.08Å; P153-T166 WeakPolarHBondContact CA-O 3.38Å; P153-I383 WeakPolarHBondContact O-CG2 3.33Å; P153-I387 HydrophobicContact CB-CD1 4.05Å; P153-P460 HydrophobicContact CB-CB 4.09Å; P153-P460 HydrophobicContact CG-CB 4.25Å; P153-T464 HydrophobicContact CB-CG2 3.73Å; P153-T464 HydrophobicContact CG-CG2 4.01Å
154	T	98.3	Very high	97.1	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.006	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	150.2	174.3	-168.2	0	0	0	0	109.7	G156 T166 V168	T154-G156 PolarHBondContact O-N 3.49Å; T154-T166 HydrophobicContact CG2-CG2 3.57Å; T154-T166 PolarHBondContact N-O 3.29Å; T154-T166 PolarHBondContact O-N 2.67Å; T154-T166 VanDerWaalsContact O-O 3.08Å; T154-V168 HydrophobicContact CG2-CG2 4.04Å
155	L	98.2	Very high	97.1	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	129.6	176.3	-173.2	62.9	0	0	0	110.7	F157 P162 L165 R171 R386 E390 M394	L155-F157 HydrophobicContact CB-CE2 4.5Å; L155-F157 HydrophobicContact CB-CZ 4.28Å; L155-F157 HydrophobicContact CD2-CE1 3.75Å; L155-F157 HydrophobicContact CD2-CZ 3.79Å; L155-F157 HydrophobicContact CG-CE1 4.22Å; L155-F157 HydrophobicContact CG-CZ 4.15Å; L155-P162 HydrophobicContact CD1-CB 4.14Å; L155-P162 HydrophobicContact CD2-CB 3.96Å; L155-P162 HydrophobicContact CD2-CG 4.17Å; L155-P162 HydrophobicContact CG-CB 4.43Å; L155-L165 HydrophobicContact CD1-CD2 3.95Å; L155-R171 PolarHBondContact O-NH2 3.5Å; L155-R386 HydrophobicContact CD2-CG 3.84Å; L155-E390 HydrophobicContact CD1-CB 4.01Å; L155-E390 HydrophobicContact CD1-CG 4.42Å; L155-E390 HydrophobicContact CD2-CB 4.36Å; L155-E390 HydrophobicContact CD2-CG 3.86Å; L155-M394 HydrophobicContact CD1-CE 3.62Å; L155-M394 HydrophobicContact CD1-SD 4.42Å
156	G	97.6	Very high	97.1	Very high	6 Å²	6	60.6 Å²	60.6	6%	0.062	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	152.7	172.5	0	0	0	0	0	111.1	T154 A163 Q164	T154-G156 PolarHBondContact O-N 3.49Å; G156-A163 PolarHBondContact N-O 2.98Å; G156-A163 PolarHBondContact O-N 2.79Å; G156-Q164 WeakPolarHBondContact CA-O 3.43Å; G156-Q164 PolarHBondContact N-O 3.27Å
157	F	97.8	Very high	97.1	Very high	58 Å²	58	60.6 Å²	60.6	25%	0.254	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.6	-179.4	-69.4	-67.6	0	0	0	111.4	L155 F160 Q161 L275	L155-F157 HydrophobicContact CB-CE2 4.5Å; L155-F157 HydrophobicContact CB-CZ 4.28Å; L155-F157 HydrophobicContact CD2-CE1 3.75Å; L155-F157 HydrophobicContact CD2-CZ 3.79Å; L155-F157 HydrophobicContact CG-CE1 4.22Å; L155-F157 HydrophobicContact CG-CZ 4.15Å; F157-F160 HydrophobicContact CB-CD2 4.45Å; F157-F160 HydrophobicContact CD1-CD2 4.09Å; F157-F160 HydrophobicContact CG-CD2 4.15Å; F157-Q161 WeakPolarHBondContact CA-O 3.49Å; F157-L275 HydrophobicContact CE2-CD1 3.71Å; F157-L275 HydrophobicContact CZ-CD1 3.7Å
158	T	95.7	Very high	97.1	Very high	85 Å²	85	54.5 Å²	54.5	52%	0.521	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	130.6	167	54.9	0	0	0	0	107.4	F160 Q161 A163	T158-F160 PolarHBondContact O-N 3.14Å; T158-Q161 PolarHBondContact N-O 3.09Å; T158-Q161 WeakPolarHBondContact O-CB 3.49Å; T158-Q161 PolarHBondContact O-N 3.31Å; T158-A163 HydrophobicContact CG2-CB 4.32Å
159	H	96.1	Very high	97.1	Very high	184 Å²	184	48.4 Å²	48.4	85%	0.852	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	23.7	-166.9	-49.2	-82.3	0	0	0	113.8	Q161	H159-Q161 PolarHBondContact O-N 3.37Å; H159-Q161 VanDerWaalsContact O-N 3.12Å
160	F	96.4	Very high	97.1	Very high	92 Å²	92	47.9 Å²	47.9	40%	0.404	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	23.7	-169.8	-158.1	-138.3	0	0	0	114	F157 T158 L271 L275	F157-F160 HydrophobicContact CB-CD2 4.45Å; F157-F160 HydrophobicContact CD1-CD2 4.09Å; F157-F160 HydrophobicContact CG-CD2 4.15Å; T158-F160 PolarHBondContact O-N 3.14Å; F160-L271 HydrophobicContact CE1-CD2 4.2Å; F160-L271 HydrophobicContact CE2-CB 4.24Å; F160-L271 HydrophobicContact CE2-CD1 4.32Å; F160-L271 HydrophobicContact CZ-CB 4.2Å; F160-L271 HydrophobicContact CZ-CD2 4.06Å; F160-L275 HydrophobicContact CE2-CD1 4.02Å; F160-L275 HydrophobicContact CZ-CD1 4.21Å; F160-L275 HydrophobicContact CZ-CD2 4.36Å; F160-L275 HydrophobicContact CZ-CG 4.34Å
161	Q	94.8	Very high	97.2	Very high	125 Å²	125	48.4 Å²	48.4	58%	0.584	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	151.1	169.8	-66.7	-62.4	-57.4	0	0	110.4	F157 T158 H159 A163	F157-Q161 WeakPolarHBondContact CA-O 3.49Å; T158-Q161 PolarHBondContact N-O 3.09Å; T158-Q161 WeakPolarHBondContact O-CB 3.49Å; T158-Q161 PolarHBondContact O-N 3.31Å; H159-Q161 PolarHBondContact O-N 3.37Å; H159-Q161 VanDerWaalsContact O-N 3.12Å; Q161-A163 PolarHBondContact O-N 3.29Å
162	P	95.4	Very high	97.2	Very high	49 Å²	49	44.2 Å²	44.2	32%	0.318	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.4	127.7	173.8	-27	35.6	0	0	0	112.1	L155 E390	L155-P162 HydrophobicContact CD1-CB 4.14Å; L155-P162 HydrophobicContact CD2-CB 3.96Å; L155-P162 HydrophobicContact CD2-CG 4.17Å; L155-P162 HydrophobicContact CG-CB 4.43Å; P162-E390 HydrophobicContact CB-CB 4.16Å; P162-E390 HydrophobicContact CB-CG 3.91Å; P162-E390 VanDerWaalsContact CG-CD 3.47Å; P162-E390 HydrophobicContact CG-CG 3.86Å; P162-E390 WeakPolarHBondContact CG-OE2 3.42Å
163	A	94.2	Very high	97.2	Very high	21 Å²	21	43.1 Å²	43.1	17%	0.174	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	176	176.8	0	0	0	0	0	110.3	G156 T158 Q161	G156-A163 PolarHBondContact N-O 2.98Å; G156-A163 PolarHBondContact O-N 2.79Å; T158-A163 HydrophobicContact CG2-CB 4.32Å; Q161-A163 PolarHBondContact O-N 3.29Å
164	Q	93.6	Very high	97.3	Very high	117 Å²	117	46 Å²	46	55%	0.547	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-44.9	140.7	179.3	-72.5	-65.8	-5.8	0	0	112.4	G156	G156-Q164 WeakPolarHBondContact CA-O 3.43Å; G156-Q164 PolarHBondContact N-O 3.27Å
165	L	97.4	Very high	97.3	Very high	12 Å²	12	46 Å²	46	6%	0.063	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	146	-174.3	-58.5	-167.2	0	0	0	111.4	P153 L155 I387 L391 M394 P460 F463 T464	P153-L165 HydrophobicContact CB-CD1 4.48Å; L155-L165 HydrophobicContact CD1-CD2 3.95Å; L165-I387 HydrophobicContact CD1-CD1 4.37Å; L165-I387 HydrophobicContact CD1-CG2 3.95Å; L165-I387 HydrophobicContact CD2-CG1 4.14Å; L165-I387 HydrophobicContact CD2-CG2 4.32Å; L165-L391 HydrophobicContact CD1-CD1 3.95Å; L165-L391 HydrophobicContact CD2-CD1 4.5Å; L165-L391 HydrophobicContact CG-CD1 4.12Å; L165-M394 HydrophobicContact CD2-CE 3.83Å; L165-P460 HydrophobicContact CD1-CB 3.88Å; L165-F463 HydrophobicContact CB-CB 4.13Å; L165-F463 HydrophobicContact CD1-CB 3.82Å; L165-F463 HydrophobicContact CG-CB 3.91Å; L165-T464 HydrophobicContact CB-CG2 4.24Å
166	T	98.4	Very high	97.3	Very high	30 Å²	30	46 Å²	46	18%	0.184	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	-170.6	167.2	-171.4	0	0	0	0	108.2	P153 T154 K170	P153-T166 CarbonylContact C-O 3.08Å; P153-T166 WeakPolarHBondContact CA-O 3.38Å; T154-T166 HydrophobicContact CG2-CG2 3.57Å; T154-T166 PolarHBondContact N-O 3.29Å; T154-T166 PolarHBondContact O-N 2.67Å; T154-T166 VanDerWaalsContact O-O 3.08Å; T166-K170 WeakPolarHBondContact OG1-CG 3.27Å
167	T	98.6	Very high	97.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	154.5	168	66.1	0	0	0	0	111.1	A150 L152 G169 K170 R171 T464 A467	A150-T167 WeakPolarHBondContact O-CB 3.45Å; A150-T167 VanDerWaalsContact O-CG2 3.31Å; A150-T167 WeakPolarHBondContact O-CG2 3Å; A150-T167 PolarHBondContact O-OG1 3Å; L152-T167 CarbonylContact O-C 3.53Å; L152-T167 WeakPolarHBondContact O-CA 3.45Å; L152-T167 VanDerWaalsContact O-CB 3.24Å; L152-T167 WeakPolarHBondContact O-CB 3.49Å; T167-G169 PolarHBondContact O-N 3.44Å; T167-K170 PolarHBondContact O-N 3.09Å; T167-K170 VanDerWaalsContact O-N 3.15Å; T167-K170 VanDerWaalsContact OG1-CB 3.26Å; T167-K170 WeakPolarHBondContact OG1-CB 3.4Å; T167-K170 PolarHBondContact OG1-N 3.14Å; T167-K170 VanDerWaalsContact OG1-N 3.13Å; T167-R171 PolarHBondContact O-N 3.31Å; T167-T464 HydrophobicContact CG2-CG2 3.9Å; T167-A467 HydrophobicContact CG2-CB 3.7Å
168	V	98.4	Very high	97.4	Very high	7 Å²	7	49.4 Å²	49.4	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-56.8	-43.2	176.3	173.4	0	0	0	0	110.2	F145 R149 L152 T154 R171 C172 M278 I383	F145-V168 HydrophobicContact CE1-CG1 3.72Å; F145-V168 HydrophobicContact CZ-CG1 3.76Å; R149-V168 HydrophobicContact CB-CB 3.98Å; R149-V168 HydrophobicContact CB-CG1 3.9Å; R149-V168 HydrophobicContact CG-CG1 4.29Å; L152-V168 HydrophobicContact CB-CB 4.41Å; L152-V168 HydrophobicContact CB-CG2 4.39Å; L152-V168 HydrophobicContact CD2-CB 4.18Å; L152-V168 HydrophobicContact CD2-CG2 3.75Å; L152-V168 HydrophobicContact CG-CB 4.41Å; L152-V168 HydrophobicContact CG-CG2 3.9Å; L152-V168 PolarHBondContact O-N 2.97Å; T154-V168 HydrophobicContact CG2-CG2 4.04Å; V168-R171 PolarHBondContact O-N 2.84Å; V168-C172 PolarHBondContact O-N 2.66Å; V168-M278 HydrophobicContact CG1-CE 3.83Å; V168-I383 HydrophobicContact CG2-CD1 4.11Å
169	G	98.3	Very high	97.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.3	-41.9	175.7	0	0	0	0	0	113.2	A146 R149 T167 R171 C172 C173	A146-G169 WeakPolarHBondContact O-CA 3.28Å; R149-G169 WeakPolarHBondContact O-CA 3.48Å; R149-G169 PolarHBondContact O-N 2.94Å; T167-G169 PolarHBondContact O-N 3.44Å; G169-R171 VanDerWaalsContact C-N 3.34Å; G169-R171 PolarHBondContact O-N 3.37Å; G169-C172 VanDerWaalsContact O-CB 3.31Å; G169-C172 WeakPolarHBondContact O-CB 3.38Å; G169-C172 PolarHBondContact O-N 2.78Å; G169-C172 VanDerWaalsContact O-N 3.14Å; G169-C173 PolarHBondContact O-N 3.14Å; G169-C173 PolarHBondContact O-SG 3.28Å; G169-C173 VanDerWaalsContact O-SG 3.37Å
170	K	98.6	Very high	97.7	Very high	56 Å²	56	37 Å²	37	24%	0.243	19%	0.186	C	C	.	.	H	α-helix	trans	-65.1	-36.1	176.5	174.5	59.4	-165.6	-65	0	112.6	T166 T167 C172 C173 A467 Q470 V471	T166-K170 WeakPolarHBondContact OG1-CG 3.27Å; T167-K170 PolarHBondContact O-N 3.09Å; T167-K170 VanDerWaalsContact O-N 3.15Å; T167-K170 VanDerWaalsContact OG1-CB 3.26Å; T167-K170 WeakPolarHBondContact OG1-CB 3.4Å; T167-K170 PolarHBondContact OG1-N 3.14Å; T167-K170 VanDerWaalsContact OG1-N 3.13Å; K170-C172 VanDerWaalsContact C-N 3.33Å; K170-C173 WeakPolarHBondContact O-CB 3.42Å; K170-C173 PolarHBondContact O-N 2.89Å; K170-A467 HydrophobicContact CB-CB 3.99Å; K170-A467 HydrophobicContact CG-CB 4.25Å; K170-Q470 HydrophobicContact CD-CB 4.41Å; K170-V471 HydrophobicContact CB-CG2 3.94Å
171	R	98.6	Very high	97.8	Very high	26 Å²	26	37.2 Å²	37.2	10%	0.098	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-42.9	172	179.9	174.6	-70.4	148.3	1.3	110.9	L155 T167 V168 G169 C173 L174 W175	L155-R171 PolarHBondContact O-NH2 3.5Å; T167-R171 PolarHBondContact O-N 3.31Å; V168-R171 PolarHBondContact O-N 2.84Å; G169-R171 VanDerWaalsContact C-N 3.34Å; G169-R171 PolarHBondContact O-N 3.37Å; R171-C173 VanDerWaalsContact C-N 3.28Å; R171-C173 PolarHBondContact O-N 3.49Å; R171-L174 WeakPolarHBondContact O-CB 3.41Å; R171-L174 PolarHBondContact O-N 3.4Å; R171-L174 VanDerWaalsContact O-N 3.15Å; R171-W175 HydrophobicContact CG-CZ2 4.01Å
172	C	98.6	Very high	98	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.9	-36.7	175	-168	0	0	0	0	112.3	L142 F145 A146 V168 G169 K170 L174 W175 I176	L142-C172 PolarHBondContact O-SG 2.8Å; L142-C172 VanDerWaalsContact O-SG 3.34Å; F145-C172 HydrophobicContact CD1-CB 4.13Å; F145-C172 HydrophobicContact CE1-CB 4.43Å; A146-C172 HydrophobicContact CB-CB 3.92Å; V168-C172 PolarHBondContact O-N 2.66Å; G169-C172 VanDerWaalsContact O-CB 3.31Å; G169-C172 WeakPolarHBondContact O-CB 3.38Å; G169-C172 PolarHBondContact O-N 2.78Å; G169-C172 VanDerWaalsContact O-N 3.14Å; K170-C172 VanDerWaalsContact C-N 3.33Å; C172-L174 PolarHBondContact O-N 3.07Å; C172-W175 HydrophobicContact CB-CE3 4.18Å; C172-W175 HydrophobicContact CB-CZ3 4.42Å; C172-W175 WeakPolarHBondContact O-CA 3.39Å; C172-W175 VanDerWaalsContact O-CB 3.29Å; C172-W175 WeakPolarHBondContact O-CB 3.32Å; C172-W175 PolarHBondContact O-N 2.89Å; C172-I176 WeakPolarHBondContact O-CG1 3.44Å; C172-I176 PolarHBondContact O-N 3.39Å
173	C	98.8	Very high	98.2	Very high	9 Å²	9	29.1 Å²	29.1	6%	0.061	15%	0.147	C	C	.	.	H	α-helix	trans	-60.1	-29.7	176	-65.8	0	0	0	0	114	G169 K170 R171 W175 I176 Q177 F474	G169-C173 PolarHBondContact O-N 3.14Å; G169-C173 PolarHBondContact O-SG 3.28Å; G169-C173 VanDerWaalsContact O-SG 3.37Å; K170-C173 WeakPolarHBondContact O-CB 3.42Å; K170-C173 PolarHBondContact O-N 2.89Å; R171-C173 VanDerWaalsContact C-N 3.28Å; R171-C173 PolarHBondContact O-N 3.49Å; C173-W175 VanDerWaalsContact C-N 3.29Å; C173-W175 PolarHBondContact O-N 3.41Å; C173-I176 PolarHBondContact O-N 3.03Å; C173-Q177 WeakPolarHBondContact O-CB 3.43Å; C173-Q177 PolarHBondContact O-N 2.97Å; C173-F474 HydrophobicContact CB-CD1 3.89Å; C173-F474 HydrophobicContact CB-CE1 4.04Å
174	L	98.8	Very high	98.4	Very high	87 Å²	87	33 Å²	33	46%	0.455	16%	0.162	S	C	.	.	H	α-helix	trans	-61	-42.7	172.7	-64.9	159.9	0	0	0	110.7	R171 C172	R171-L174 WeakPolarHBondContact O-CB 3.41Å; R171-L174 PolarHBondContact O-N 3.4Å; R171-L174 VanDerWaalsContact O-N 3.15Å; C172-L174 PolarHBondContact O-N 3.07Å
175	W	98.8	Very high	98.6	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-67.8	-42.6	178.2	-53.2	-23.2	0	0	0	111.7	L142 R171 C172 C173 Q177 L179 I265 D268 I269 L272 M278	L142-W175 HydrophobicContact CD2-CE3 4.42Å; R171-W175 HydrophobicContact CG-CZ2 4.01Å; C172-W175 HydrophobicContact CB-CE3 4.18Å; C172-W175 HydrophobicContact CB-CZ3 4.42Å; C172-W175 WeakPolarHBondContact O-CA 3.39Å; C172-W175 VanDerWaalsContact O-CB 3.29Å; C172-W175 WeakPolarHBondContact O-CB 3.32Å; C172-W175 PolarHBondContact O-N 2.89Å; C173-W175 VanDerWaalsContact C-N 3.29Å; C173-W175 PolarHBondContact O-N 3.41Å; W175-Q177 VanDerWaalsContact C-N 3.33Å; W175-Q177 PolarHBondContact O-N 3.07Å; W175-L179 WeakPolarHBondContact O-CG 3.21Å; W175-L179 PolarHBondContact O-N 3.27Å; W175-I265 HydrophobicContact CB-CD1 3.79Å; W175-I265 HydrophobicContact CB-CG1 3.62Å; W175-I265 HydrophobicContact CB-CG2 4.26Å; W175-I265 HydrophobicContact CD2-CG2 4Å; W175-I265 HydrophobicContact CE3-CG2 4.25Å; W175-I265 HydrophobicContact CG-CB 4.32Å; W175-I265 HydrophobicContact CG-CD1 4.43Å; W175-I265 HydrophobicContact CG-CG1 3.73Å; W175-I265 HydrophobicContact CG-CG2 4.01Å; W175-D268 HydrophobicContact CZ2-CB 3.8Å; W175-D268 PolarHBondContact NE1-OD2 3.39Å; W175-I269 HydrophobicContact CH2-CG1 4.09Å; W175-I269 HydrophobicContact CZ3-CG1 4.49Å; W175-L272 HydrophobicContact CH2-CD1 4.16Å; W175-L272 HydrophobicContact CZ2-CD1 4.26Å; W175-M278 HydrophobicContact CH2-CE 4.47Å; W175-M278 HydrophobicContact CH2-SD 4.32Å
176	I	98.8	Very high	98.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.1	-41.6	179.5	-66.2	163.2	0	0	0	110.9	I139 L142 A143 A146 C172 C173 D178 L179 C180 F474 L475 V479	I139-I176 HydrophobicContact CG2-CG2 4.09Å; L142-I176 HydrophobicContact CB-CD1 4.01Å; L142-I176 HydrophobicContact CB-CG1 3.64Å; L142-I176 HydrophobicContact CD1-CG1 4.46Å; A143-I176 HydrophobicContact CB-CD1 4.39Å; A146-I176 HydrophobicContact CB-CD1 3.83Å; C172-I176 WeakPolarHBondContact O-CG1 3.44Å; C172-I176 PolarHBondContact O-N 3.39Å; C173-I176 PolarHBondContact O-N 3.03Å; I176-D178 PolarHBondContact O-N 3.29Å; I176-L179 PolarHBondContact O-N 3.46Å; I176-C180 WeakPolarHBondContact O-CB 3.11Å; I176-C180 PolarHBondContact O-N 3.23Å; I176-C180 PolarHBondContact O-SG 2.97Å; I176-C180 VanDerWaalsContact O-SG 3.34Å; I176-F474 HydrophobicContact CB-CE1 3.95Å; I176-F474 HydrophobicContact CB-CZ 4.38Å; I176-F474 HydrophobicContact CG2-CE1 3.65Å; I176-F474 HydrophobicContact CG2-CZ 3.92Å; I176-L475 HydrophobicContact CD1-CD2 4.31Å; I176-V479 HydrophobicContact CG2-CG1 4.14Å; I176-V479 HydrophobicContact CG2-CG2 3.63Å
177	Q	98.8	Very high	98.7	Very high	89 Å²	89	31.3 Å²	31.3	42%	0.416	15%	0.152	S	C	.	.	H	α-helix	trans	-58.8	-48.7	-179	-170.1	-178.8	-87.2	0	0	112	C173 W175 L179 C180 M181 F474	C173-Q177 WeakPolarHBondContact O-CB 3.43Å; C173-Q177 PolarHBondContact O-N 2.97Å; W175-Q177 VanDerWaalsContact C-N 3.33Å; W175-Q177 PolarHBondContact O-N 3.07Å; Q177-L179 VanDerWaalsContact C-N 3.33Å; Q177-L179 PolarHBondContact O-N 3.26Å; Q177-C180 WeakPolarHBondContact O-CB 3.48Å; Q177-C180 PolarHBondContact O-N 3.39Å; Q177-M181 WeakPolarHBondContact O-CG 3.04Å; Q177-M181 PolarHBondContact O-N 2.74Å; Q177-M181 VanDerWaalsContact O-N 3.09Å; Q177-F474 HydrophobicContact CB-CE2 4.25Å; Q177-F474 HydrophobicContact CB-CZ 3.88Å; Q177-F474 HydrophobicContact CG-CE2 4.28Å; Q177-F474 HydrophobicContact CG-CZ 4.39Å
178	D	98.8	Very high	98.7	Very high	47 Å²	47	36 Å²	36	25%	0.251	17%	0.169	S	C	.	.	H	α-helix	trans	-59.5	-44.5	177.8	-68.9	-3.2	0	0	0	111	I176 C180 M181 D182	I176-D178 PolarHBondContact O-N 3.29Å; D178-C180 VanDerWaalsContact C-N 3.35Å; D178-C180 PolarHBondContact O-N 3.27Å; D178-M181 WeakPolarHBondContact O-CB 3.26Å; D178-M181 PolarHBondContact O-N 3.42Å; D178-D182 PolarHBondContact O-N 2.99Å
179	L	98.8	Very high	98.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.9	-33	178.2	-65.6	175.7	0	0	0	113.1	L135 V138 I139 L142 W175 I176 Q177 M181 D182 L183 L258 V262 I265	L135-L179 HydrophobicContact CD1-CB 4.09Å; L135-L179 HydrophobicContact CD1-CD2 3.86Å; L135-L179 HydrophobicContact CD1-CG 4.43Å; V138-L179 HydrophobicContact CG1-CD1 3.76Å; I139-L179 HydrophobicContact CD1-CB 4.02Å; I139-L179 HydrophobicContact CG1-CB 3.66Å; I139-L179 HydrophobicContact CG1-CD1 4.36Å; L142-L179 HydrophobicContact CD1-CD1 3.72Å; W175-L179 WeakPolarHBondContact O-CG 3.21Å; W175-L179 PolarHBondContact O-N 3.27Å; I176-L179 PolarHBondContact O-N 3.46Å; Q177-L179 VanDerWaalsContact C-N 3.33Å; Q177-L179 PolarHBondContact O-N 3.26Å; L179-M181 VanDerWaalsContact C-N 3.34Å; L179-D182 PolarHBondContact O-N 3.39Å; L179-L183 WeakPolarHBondContact O-CB 3.45Å; L179-L183 PolarHBondContact O-N 3.11Å; L179-L258 HydrophobicContact CD2-CD1 3.94Å; L179-V262 HydrophobicContact CD2-CG2 4.44Å; L179-I265 HydrophobicContact CD1-CD1 3.86Å; L179-I265 HydrophobicContact CD2-CD1 4.06Å; L179-I265 HydrophobicContact CG-CD1 3.82Å
180	C	98.8	Very high	98.7	Very high	9 Å²	9	39.3 Å²	39.3	6%	0.061	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-40	173.2	-77.3	0	0	0	0	111.3	I176 Q177 D178 D182 L183 Q184 L482	I176-C180 WeakPolarHBondContact O-CB 3.11Å; I176-C180 PolarHBondContact O-N 3.23Å; I176-C180 PolarHBondContact O-SG 2.97Å; I176-C180 VanDerWaalsContact O-SG 3.34Å; Q177-C180 WeakPolarHBondContact O-CB 3.48Å; Q177-C180 PolarHBondContact O-N 3.39Å; D178-C180 VanDerWaalsContact C-N 3.35Å; D178-C180 PolarHBondContact O-N 3.27Å; C180-D182 VanDerWaalsContact C-N 3.34Å; C180-L183 PolarHBondContact O-N 3.24Å; C180-Q184 WeakPolarHBondContact O-CG 3.42Å; C180-Q184 PolarHBondContact O-N 2.81Å; C180-L482 HydrophobicContact CB-CD1 3.85Å
181	M	98.8	Very high	98.6	Very high	95 Å²	95	39.7 Å²	39.7	47%	0.468	19%	0.187	S	C	.	.	H	α-helix	trans	-62.1	-42.8	173.5	-63.4	168.3	61.4	0	0	111	Q177 D178 L179 Q184 N185	Q177-M181 WeakPolarHBondContact O-CG 3.04Å; Q177-M181 PolarHBondContact O-N 2.74Å; Q177-M181 VanDerWaalsContact O-N 3.09Å; D178-M181 WeakPolarHBondContact O-CB 3.26Å; D178-M181 PolarHBondContact O-N 3.42Å; L179-M181 VanDerWaalsContact C-N 3.34Å; M181-Q184 PolarHBondContact O-N 3.48Å; M181-N185 WeakPolarHBondContact O-CB 3.24Å; M181-N185 PolarHBondContact O-N 3.01Å; M181-N185 PolarHBondContact O-ND2 2.97Å
182	D	98.8	Very high	98.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-41.3	175.5	-65.6	-44.5	0	0	0	111.7	L135 D178 L179 C180 Q184 N185 L186 S257 L258 S261	L135-D182 HydrophobicContact CD2-CB 4.11Å; D178-D182 PolarHBondContact O-N 2.99Å; L179-D182 PolarHBondContact O-N 3.39Å; C180-D182 VanDerWaalsContact C-N 3.34Å; D182-Q184 PolarHBondContact O-N 3.1Å; D182-N185 PolarHBondContact O-N 3.33Å; D182-L186 VanDerWaalsContact O-CD1 3.27Å; D182-L186 WeakPolarHBondContact O-CD1 3.28Å; D182-L186 PolarHBondContact O-N 2.98Å; D182-S257 PolarHBondContact OD1-OG 3.33Å; D182-L258 HydrophobicContact CB-CB 4.3Å; D182-L258 HydrophobicContact CB-CD1 3.96Å; D182-L258 PolarHBondContact OD1-N 3.3Å; D182-L258 WeakPolarHBondContact OD2-CA 3.11Å; D182-S261 WeakPolarHBondContact OD2-CB 3.49Å; D182-S261 PolarHBondContact OD2-OG 3.11Å
183	L	98.8	Very high	98.6	Very high	5 Å²	5	44 Å²	44	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-62.5	-43.4	178	-177.2	65.8	0	0	0	111.8	L132 L135 I139 L179 C180 N185 K187 L482 Y486	L132-L183 HydrophobicContact CD2-CD1 3.77Å; L135-L183 HydrophobicContact CB-CD1 4.39Å; L135-L183 HydrophobicContact CD2-CB 3.82Å; L135-L183 HydrophobicContact CD2-CD1 4.09Å; L135-L183 HydrophobicContact CG-CB 4.23Å; L135-L183 HydrophobicContact CG-CD1 4.2Å; I139-L183 HydrophobicContact CD1-CB 3.98Å; I139-L183 HydrophobicContact CD1-CD2 3.89Å; I139-L183 HydrophobicContact CD1-CG 4.48Å; L179-L183 WeakPolarHBondContact O-CB 3.45Å; L179-L183 PolarHBondContact O-N 3.11Å; C180-L183 PolarHBondContact O-N 3.24Å; L183-N185 VanDerWaalsContact C-N 3.34Å; L183-K187 VanDerWaalsContact O-CB 3.3Å; L183-K187 WeakPolarHBondContact O-CB 3.32Å; L183-K187 PolarHBondContact O-N 3.42Å; L183-L482 HydrophobicContact CD2-CB 4.23Å; L183-Y486 HydrophobicContact CD1-CE2 4.31Å; L183-Y486 HydrophobicContact CD2-CE2 4.38Å
184	Q	98.7	Very high	98.5	Very high	103 Å²	103	48.2 Å²	48.2	48%	0.481	23%	0.226	S	C	.	.	H	α-helix	trans	-62.2	-42.9	175.2	-71.4	170.8	-34.8	0	0	111.3	C180 M181 D182 K187 R188 L482	C180-Q184 WeakPolarHBondContact O-CG 3.42Å; C180-Q184 PolarHBondContact O-N 2.81Å; M181-Q184 PolarHBondContact O-N 3.48Å; D182-Q184 PolarHBondContact O-N 3.1Å; Q184-K187 PolarHBondContact O-N 3.34Å; Q184-R188 WeakPolarHBondContact O-CB 3.44Å; Q184-R188 PolarHBondContact O-N 3.42Å; Q184-L482 HydrophobicContact CG-CD1 4.24Å; Q184-L482 HydrophobicContact CG-CD2 3.99Å
185	N	98.7	Very high	98.5	Very high	46 Å²	46	44 Å²	44	25%	0.246	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-48.7	177.7	-83.1	-39.2	0	0	0	112.5	M181 D182 L183 K187 R188 V189 V254	M181-N185 WeakPolarHBondContact O-CB 3.24Å; M181-N185 PolarHBondContact O-N 3.01Å; M181-N185 PolarHBondContact O-ND2 2.97Å; D182-N185 PolarHBondContact O-N 3.33Å; L183-N185 VanDerWaalsContact C-N 3.34Å; N185-K187 VanDerWaalsContact C-N 3.31Å; N185-K187 PolarHBondContact O-N 2.84Å; N185-R188 PolarHBondContact O-N 3.05Å; N185-R188 PolarHBondContact OD1-NH2 3.32Å; N185-V189 WeakPolarHBondContact O-CG2 3.45Å; N185-V189 PolarHBondContact O-N 3Å; N185-V254 HydrophobicContact CB-CB 4.1Å; N185-V254 HydrophobicContact CB-CG1 3.78Å
186	L	98.5	Very high	98.5	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.6	-41.7	177.3	-91.4	62.8	0	0	0	111.3	L128 L131 L132 L135 D182 R190 V254 L255	L128-L186 HydrophobicContact CD2-CG 4.14Å; L131-L186 HydrophobicContact CB-CD2 4.14Å; L131-L186 HydrophobicContact CD1-CD2 4.48Å; L132-L186 HydrophobicContact CD2-CB 3.68Å; L132-L186 HydrophobicContact CG-CB 4.5Å; L135-L186 HydrophobicContact CD2-CD2 4.26Å; D182-L186 VanDerWaalsContact O-CD1 3.27Å; D182-L186 WeakPolarHBondContact O-CD1 3.28Å; D182-L186 PolarHBondContact O-N 2.98Å; L186-R190 VanDerWaalsContact O-CB 3.26Å; L186-R190 WeakPolarHBondContact O-CB 3.32Å; L186-R190 PolarHBondContact O-N 3.44Å; L186-V254 HydrophobicContact CD1-CB 4.08Å; L186-V254 HydrophobicContact CD1-CG2 3.87Å; L186-L255 HydrophobicContact CD1-CD2 4.49Å
187	K	98.5	Very high	98.4	Very high	76 Å²	76	44 Å²	44	33%	0.33	20%	0.204	S	C	.	.	H	α-helix	trans	-61.5	-46.3	177	-175.2	81.2	178.6	74.7	0	111.3	L132 L183 Q184 N185 R190 D191	L132-K187 HydrophobicContact CD2-CB 4.32Å; L183-K187 VanDerWaalsContact O-CB 3.3Å; L183-K187 WeakPolarHBondContact O-CB 3.32Å; L183-K187 PolarHBondContact O-N 3.42Å; Q184-K187 PolarHBondContact O-N 3.34Å; N185-K187 VanDerWaalsContact C-N 3.31Å; N185-K187 PolarHBondContact O-N 2.84Å; K187-R190 PolarHBondContact O-N 3.06Å; K187-D191 IonicContact NZ-OD1 3.9Å; K187-D191 PolarHBondContact NZ-OD1 3.41Å; K187-D191 IonicContact NZ-OD2 3.21Å; K187-D191 PolarHBondContact NZ-OD2 3.34Å; K187-D191 WeakPolarHBondContact O-CB 3.38Å; K187-D191 PolarHBondContact O-N 3.02Å
188	R	98.6	Very high	98.4	Very high	98 Å²	98	39.8 Å²	39.8	37%	0.37	18%	0.184	S	C	.	.	H	α-helix	trans	-59.7	-53.6	178.3	179.4	178.8	56.4	68.2	3.1	111.1	Q184 N185 R190 D191 D192 E250	Q184-R188 WeakPolarHBondContact O-CB 3.44Å; Q184-R188 PolarHBondContact O-N 3.42Å; N185-R188 PolarHBondContact O-N 3.05Å; N185-R188 PolarHBondContact OD1-NH2 3.32Å; R188-R190 VanDerWaalsContact C-N 3.28Å; R188-R190 PolarHBondContact O-N 3.46Å; R188-D191 PolarHBondContact O-N 3.44Å; R188-D192 WeakPolarHBondContact CG-OD2 3.41Å; R188-D192 WeakPolarHBondContact O-CB 3.36Å; R188-D192 PolarHBondContact O-N 3.02Å; R188-E250 IonicContact CZ-OE1 3Å; R188-E250 IonicContact NH1-OE1 3.65Å; R188-E250 PolarHBondContact NH1-OE1 3.41Å
189	V	98.4	Very high	98.3	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.03	17%	0.173	C	C	.	.	H	α-helix	trans	-58.4	-41.9	179.6	174.7	0	0	0	0	111.3	L128 N185 L193 E250 V251 V254	L128-V189 HydrophobicContact CD1-CG1 4.12Å; N185-V189 WeakPolarHBondContact O-CG2 3.45Å; N185-V189 PolarHBondContact O-N 3Å; V189-L193 WeakPolarHBondContact O-CB 3.37Å; V189-L193 PolarHBondContact O-N 2.88Å; V189-L193 VanDerWaalsContact O-N 3.13Å; V189-E250 HydrophobicContact CG2-CG 3.85Å; V189-V251 HydrophobicContact CG1-CB 4.47Å; V189-V251 HydrophobicContact CG1-CG2 3.65Å; V189-V254 HydrophobicContact CG2-CG1 3.93Å; V189-V254 HydrophobicContact CG2-CG2 4.09Å
190	R	98.4	Very high	98.1	Very high	73 Å²	73	37.7 Å²	37.7	28%	0.275	17%	0.174	S	C	.	.	H	α-helix	trans	-62.1	-45.9	177.4	-175.8	-83.9	-171.8	-166.3	-4.6	112.3	L128 D129 L132 L186 K187 R188	L128-R190 HydrophobicContact CB-CB 4.12Å; L128-R190 HydrophobicContact CB-CG 4.08Å; L128-R190 HydrophobicContact CD1-CB 3.96Å; L128-R190 HydrophobicContact CD1-CG 4.48Å; D129-R190 WeakPolarHBondContact OD1-CG 3.38Å; D129-R190 IonicContact OD1-CZ 2.58Å; D129-R190 IonicContact OD1-NE 2.92Å; D129-R190 PolarHBondContact OD1-NE 3.34Å; D129-R190 IonicContact OD1-NH2 3.66Å; D129-R190 PolarHBondContact OD1-NH2 3.27Å; D129-R190 IonicContact OD2-CZ 2.66Å; D129-R190 IonicContact OD2-NE 3.43Å; D129-R190 PolarHBondContact OD2-NE 3.42Å; D129-R190 IonicContact OD2-NH2 3Å; D129-R190 PolarHBondContact OD2-NH2 3.01Å; L132-R190 HydrophobicContact CD1-CB 4.45Å; L132-R190 HydrophobicContact CD1-CG 4.31Å; L186-R190 VanDerWaalsContact O-CB 3.26Å; L186-R190 WeakPolarHBondContact O-CB 3.32Å; L186-R190 PolarHBondContact O-N 3.44Å; K187-R190 PolarHBondContact O-N 3.06Å; R188-R190 VanDerWaalsContact C-N 3.28Å; R188-R190 PolarHBondContact O-N 3.46Å
191	D	97.6	Very high	97.7	Very high	64 Å²	64	40.8 Å²	40.8	34%	0.342	19%	0.192	S	C	.	.	H	α-helix	trans	-75.4	-31.4	-176.3	-72.3	-16.2	0	0	0	113.1	K187 R188	K187-D191 IonicContact NZ-OD1 3.9Å; K187-D191 PolarHBondContact NZ-OD1 3.41Å; K187-D191 IonicContact NZ-OD2 3.21Å; K187-D191 PolarHBondContact NZ-OD2 3.34Å; K187-D191 WeakPolarHBondContact O-CB 3.38Å; K187-D191 PolarHBondContact O-N 3.02Å; R188-D191 PolarHBondContact O-N 3.44Å
192	D	98.1	Very high	97.6	Very high	98 Å²	98	39.5 Å²	39.5	52%	0.524	19%	0.19	S	C	.	.	H	α-helix	trans	-83.5	-12.7	179.9	-70.8	-22.7	0	0	0	113.1	R188 R194	R188-D192 WeakPolarHBondContact CG-OD2 3.41Å; R188-D192 WeakPolarHBondContact O-CB 3.36Å; R188-D192 PolarHBondContact O-N 3.02Å; D192-R194 WeakPolarHBondContact O-CG 3.46Å; D192-R194 PolarHBondContact O-N 3.29Å
193	L	97.7	Very high	97.5	Very high	17 Å²	17	40.1 Å²	40.1	9%	0.089	20%	0.196	C	C	.	.			trans	-59.6	123.8	179.9	-162.4	70	0	0	0	110.8	L121 L124 R125 V189 F232 V247	L121-L193 HydrophobicContact CD2-CD1 3.98Å; L121-L193 HydrophobicContact CD2-CD2 4.42Å; L121-L193 HydrophobicContact CD2-CG 4.2Å; L124-L193 HydrophobicContact CB-CD2 4.31Å; R125-L193 HydrophobicContact CB-CD2 4Å; V189-L193 WeakPolarHBondContact O-CB 3.37Å; V189-L193 PolarHBondContact O-N 2.88Å; V189-L193 VanDerWaalsContact O-N 3.13Å; L193-F232 HydrophobicContact CB-CE1 4.36Å; L193-F232 HydrophobicContact CD2-CE1 4.06Å; L193-F232 HydrophobicContact CD2-CZ 4.34Å; L193-F232 HydrophobicContact CG-CE1 4.13Å; L193-F232 WeakPolarHBondContact O-CD1 3.43Å; L193-V247 HydrophobicContact CD1-CG1 3.53Å
194	R	98.4	Very high	97.4	Very high	98 Å²	98	44.4 Å²	44.4	37%	0.37	22%	0.223	S	C	.	.			trans	-107.1	151.3	-179.1	-53.9	-175.3	-168.3	170.7	5.2	111.1	L121 D192 R234 F236	L121-R194 WeakPolarHBondContact CD1-O 3.41Å; D192-R194 WeakPolarHBondContact O-CG 3.46Å; D192-R194 PolarHBondContact O-N 3.29Å; R194-R234 WeakPolarHBondContact CA-O 3.2Å; R194-F236 HydrophobicContact CB-CD2 3.87Å; R194-F236 HydrophobicContact CB-CE1 4.32Å; R194-F236 HydrophobicContact CB-CE2 3.65Å; R194-F236 HydrophobicContact CB-CG 4.29Å; R194-F236 HydrophobicContact CB-CZ 3.89Å; R194-F236 HydrophobicContact CG-CZ 4.44Å; R194-F236 WeakPolarHBondContact O-CE2 3.24Å
195	F	98.4	Very high	97.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-78.7	149	175.8	-155.5	-125.9	0	0	0	111.6	L42 N118 I122 G197 V226 T227 A230 F232 R234 A235 F236	L42-F195 HydrophobicContact CD2-CZ 3.88Å; N118-F195 HydrophobicContact CB-CD2 4.46Å; N118-F195 HydrophobicContact CB-CE1 4.25Å; N118-F195 HydrophobicContact CB-CE2 3.54Å; N118-F195 HydrophobicContact CB-CZ 3.42Å; N118-F195 VanDerWaalsContact CB-CZ 3.42Å; N118-F195 WeakPolarHBondContact OD1-CD2 3.23Å; N118-F195 VanDerWaalsContact OD1-CE1 3.3Å; N118-F195 WeakPolarHBondContact OD1-CE1 3.43Å; N118-F195 VanDerWaalsContact OD1-CE2 3.28Å; N118-F195 WeakPolarHBondContact OD1-CE2 3.38Å; N118-F195 WeakPolarHBondContact OD1-CZ 3.47Å; I122-F195 HydrophobicContact CD1-CE2 4.25Å; I122-F195 HydrophobicContact CG1-CE2 4.24Å; F195-G197 VanDerWaalsContact CD1-N 3.34Å; F195-V226 HydrophobicContact CE1-CG2 4.44Å; F195-T227 HydrophobicContact CB-CG2 3.96Å; F195-T227 HydrophobicContact CD1-CG2 4.39Å; F195-A230 HydrophobicContact CD2-CB 4.34Å; F195-A230 HydrophobicContact CE1-CB 4.01Å; F195-A230 HydrophobicContact CE2-CB 3.76Å; F195-A230 HydrophobicContact CZ-CB 3.55Å; F195-F232 HydrophobicContact CB-CB 3.81Å; F195-F232 HydrophobicContact CB-CD1 4.15Å; F195-F232 HydrophobicContact CB-CD2 4.16Å; F195-F232 HydrophobicContact CB-CG 3.78Å; F195-F232 AromaticContact CD2-CD2 3.43Å; F195-F232 HydrophobicContact CD2-CD2 3.43Å; F195-F232 VanDerWaalsContact CD2-CD2 3.43Å; F195-F232 AromaticContact CD2-CE2 3.58Å; F195-F232 HydrophobicContact CD2-CE2 3.58Å; F195-F232 AromaticContact CD2-CG 3.95Å; F195-F232 HydrophobicContact CD2-CG 3.95Å; F195-F232 HydrophobicContact CD2-CZ 4.2Å; F195-F232 HydrophobicContact CE2-CD2 4.04Å; F195-F232 HydrophobicContact CE2-CE2 4.01Å; F195-F232 HydrophobicContact CG-CB 4.37Å; F195-F232 HydrophobicContact CG-CD2 4.02Å; F195-F232 HydrophobicContact CG-CG 4.16Å; F195-R234 PolarHBondContact N-O 3.09Å; F195-A235 HydrophobicContact CB-CB 4.41Å; F195-A235 CarbonylContact O-C 3.5Å; F195-A235 WeakPolarHBondContact O-CA 3.32Å; F195-F236 WeakPolarHBondContact O-CD2 3.26Å; F195-F236 PolarHBondContact O-N 3.14Å
196	R	98.2	Very high	97.3	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	22%	0.215	C	C	.	.			trans	-73.2	-46.6	170.6	174.8	-169.5	176.3	-81.4	2.4	110	N118 L121 K199 G200 Q241	N118-R196 VanDerWaalsContact OD1-CB 3.31Å; N118-R196 WeakPolarHBondContact OD1-CB 3.34Å; N118-R196 PolarHBondContact OD1-N 3.23Å; L121-R196 HydrophobicContact CD1-CB 4.12Å; R196-K199 HydrophobicContact CG-CG 4.31Å; R196-K199 VanDerWaalsContact O-CG 3.31Å; R196-K199 WeakPolarHBondContact O-CG 3.35Å; R196-K199 PolarHBondContact O-NZ 3.41Å; R196-G200 PolarHBondContact NH2-O 2.89Å; R196-Q241 VanDerWaalsContact CZ-O 3.23Å; R196-Q241 PolarHBondContact NE-O 3.39Å; R196-Q241 PolarHBondContact NH2-O 3.16Å
197	G	97.5	Very high	97.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.			trans	75.1	-150	-177.8	0	0	0	0	0	113.1	N118 F195 D223	N118-G197 PolarHBondContact ND2-O 3.46Å; N118-G197 VanDerWaalsContact ND2-O 3.1Å; N118-G197 PolarHBondContact OD1-N 3.01Å; F195-G197 VanDerWaalsContact CD1-N 3.34Å; G197-D223 VanDerWaalsContact CA-OD1 3.23Å; G197-D223 WeakPolarHBondContact CA-OD1 3.41Å
198	V	97.3	Very high	97.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-98.6	105.3	177.7	-75.6	0	0	0	0	110.5	L46 Y114 Q205 F208 L222 D223 V226	L46-V198 HydrophobicContact CD1-CG1 3.78Å; Y114-V198 HydrophobicContact CD2-CG1 3.7Å; Y114-V198 HydrophobicContact CE2-CG1 3.51Å; V198-Q205 WeakPolarHBondContact O-CG 3.44Å; V198-Q205 PolarHBondContact O-NE2 3.45Å; V198-F208 HydrophobicContact CB-CD2 4.13Å; V198-F208 HydrophobicContact CB-CE2 3.63Å; V198-F208 HydrophobicContact CB-CZ 3.83Å; V198-F208 HydrophobicContact CG1-CE1 4.27Å; V198-F208 HydrophobicContact CG1-CE2 4.04Å; V198-F208 HydrophobicContact CG1-CZ 3.7Å; V198-L222 HydrophobicContact CG1-CD2 4.38Å; V198-L222 HydrophobicContact CG1-CG 4.42Å; V198-L222 HydrophobicContact CG2-CB 4.25Å; V198-L222 HydrophobicContact CG2-CD2 4.04Å; V198-L222 HydrophobicContact CG2-CG 3.79Å; V198-D223 VanDerWaalsContact CG2-CA 3.47Å; V198-D223 HydrophobicContact CG2-CB 3.73Å; V198-D223 PolarHBondContact N-OD1 3.38Å; V198-V226 HydrophobicContact CG1-CG2 4.31Å; V198-V226 HydrophobicContact CG2-CG2 4.49Å
199	K	97.2	Very high	97	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.009	21%	0.208	C	C	.	.			trans	-123.1	-5.4	-172.8	-64.3	-66	-175.6	-59.7	0	115.2	R196 G203 T204 Q205 D223 F236 T239	R196-K199 HydrophobicContact CG-CG 4.31Å; R196-K199 VanDerWaalsContact O-CG 3.31Å; R196-K199 WeakPolarHBondContact O-CG 3.35Å; R196-K199 PolarHBondContact O-NZ 3.41Å; K199-G203 CarbonylContact O-C 3.47Å; K199-G203 WeakPolarHBondContact O-CA 3.49Å; K199-G203 PolarHBondContact O-N 3.49Å; K199-T204 PolarHBondContact O-N 2.55Å; K199-Q205 HydrophobicContact CD-CG 4.24Å; K199-Q205 PolarHBondContact O-N 2.89Å; K199-D223 IonicContact NZ-OD1 2.64Å; K199-D223 PolarHBondContact NZ-OD1 2.88Å; K199-D223 IonicContact NZ-OD2 3.35Å; K199-D223 PolarHBondContact NZ-OD2 2.63Å; K199-F236 WeakPolarHBondContact CE-O 3.39Å; K199-F236 PolarHBondContact NZ-O 3.38Å; K199-T239 WeakPolarHBondContact CB-OG1 3.38Å; K199-T239 HydrophobicContact CG-CG2 4.16Å; K199-T239 VanDerWaalsContact CG-OG1 3.31Å; K199-T239 WeakPolarHBondContact CG-OG1 3.17Å
200	G	94	Very high	97	Very high	2 Å²	2	44.8 Å²	44.8	2%	0.021	24%	0.241	C	C	.	.			trans	66.3	-168.4	-172.5	0	0	0	0	0	112.7	T111 R196	T111-G200 VanDerWaalsContact CG2-O 3.24Å; T111-G200 WeakPolarHBondContact CG2-O 3.36Å; R196-G200 PolarHBondContact NH2-O 2.89Å
201	T	92	Very high	96.8	Very high	74 Å²	74	43.8 Å²	43.8	45%	0.454	24%	0.241	S	C	.	.	S	Bend	trans	-74.1	-31.4	-170.4	-51.8	0	0	0	0	114.2	Q241	T201-Q241 WeakPolarHBondContact O-CA 3.36Å; T201-Q241 WeakPolarHBondContact O-CB 3.32Å; T201-Q241 WeakPolarHBondContact O-CG 3.03Å; T201-Q241 PolarHBondContact O-NE2 3.23Å
202	T	95.8	Very high	96.8	Very high	68 Å²	68	41.3 Å²	41.3	42%	0.417	23%	0.227	S	C	.	.	S	Bend	trans	-124.8	15.4	-177.6	51.1	0	0	0	0	112.8	G240	T202-G240 CarbonylContact C-O 3.45Å
203	G	95.9	Very high	96.7	Very high	13 Å²	13	45.7 Å²	45.7	13%	0.134	25%	0.245	C	C	.	.	S	Bend	trans	89.8	-5.8	175.9	0	0	0	0	0	115.6	K199 T239 G240	K199-G203 CarbonylContact O-C 3.47Å; K199-G203 WeakPolarHBondContact O-CA 3.49Å; K199-G203 PolarHBondContact O-N 3.49Å; G203-T239 WeakPolarHBondContact CA-O 3.42Å; G203-G240 WeakPolarHBondContact CA-O 3.4Å; G203-G240 PolarHBondContact N-O 3.4Å; G203-G240 VanDerWaalsContact N-O 3.13Å
204	T	97.4	Very high	96.7	Very high	94 Å²	94	47 Å²	47	58%	0.577	26%	0.262	S	S	*	.	S	Bend	trans	-91.4	-4.2	-172.7	62.4	0	0	0	0	114.6	K199 A206	K199-T204 PolarHBondContact O-N 2.55Å; T204-A206 PolarHBondContact O-N 2.68Å
205	Q	97.4	Very high	96.6	Very high	42 Å²	42	45.3 Å²	45.3	20%	0.196	26%	0.26	C	S	.	.			trans	59.6	14.5	-179.7	-58.8	167.4	-49.5	0	0	115.4	V198 K199 S207 F208 L209 V219	V198-Q205 WeakPolarHBondContact O-CG 3.44Å; V198-Q205 PolarHBondContact O-NE2 3.45Å; K199-Q205 HydrophobicContact CD-CG 4.24Å; K199-Q205 PolarHBondContact O-N 2.89Å; Q205-S207 VanDerWaalsContact C-N 3.26Å; Q205-S207 PolarHBondContact O-N 3.35Å; Q205-S207 VanDerWaalsContact O-N 3.12Å; Q205-F208 PolarHBondContact O-N 2.88Å; Q205-L209 PolarHBondContact O-N 3.27Å; Q205-V219 HydrophobicContact CB-CG1 3.74Å; Q205-V219 HydrophobicContact CG-CG1 4.15Å
206	A	97.1	Very high	96.6	Very high	46 Å²	46	50.3 Å²	50.3	38%	0.38	29%	0.287	S	S	.	.	H	α-helix	trans	-54.9	-36.9	-173.8	0	0	0	0	0	114.3	T204 L209 Q210	T204-A206 PolarHBondContact O-N 2.68Å; A206-L209 PolarHBondContact O-N 2.94Å; A206-Q210 VanDerWaalsContact O-CG 3.29Å; A206-Q210 WeakPolarHBondContact O-CG 3.46Å; A206-Q210 PolarHBondContact O-N 3.42Å
207	S	96.6	Very high	96.5	Very high	36 Å²	36	55.5 Å²	55.5	25%	0.252	31%	0.311	S	S	.	.	H	α-helix	trans	-63.6	-42.3	176.6	49.6	0	0	0	0	112.6	G109 Q205 L211	G109-S207 VanDerWaalsContact O-CB 3.29Å; G109-S207 WeakPolarHBondContact O-CB 3.44Å; G109-S207 PolarHBondContact O-OG 2.64Å; Q205-S207 VanDerWaalsContact C-N 3.26Å; Q205-S207 PolarHBondContact O-N 3.35Å; Q205-S207 VanDerWaalsContact O-N 3.12Å; S207-L211 WeakPolarHBondContact O-CG 3.45Å; S207-L211 PolarHBondContact O-N 3.23Å; S207-L211 VanDerWaalsContact O-N 3.11Å
208	F	96.7	Very high	96.6	Very high	1 Å²	1	58.8 Å²	58.8	0%	0.004	33%	0.325	C	S	.	.	H	α-helix	trans	-71.8	-38.5	176.6	-64.6	-71.3	0	0	0	111.5	L46 G109 A110 V198 Q205 Q210 L211 F212 V219 L222	L46-F208 HydrophobicContact CD1-CE1 4.19Å; G109-F208 VanDerWaalsContact C-CZ 3.44Å; G109-F208 VanDerWaalsContact O-CE2 3.31Å; G109-F208 WeakPolarHBondContact O-CE2 3.38Å; G109-F208 VanDerWaalsContact O-CZ 3.27Å; G109-F208 WeakPolarHBondContact O-CZ 3.5Å; A110-F208 HydrophobicContact CB-CZ 4.01Å; V198-F208 HydrophobicContact CB-CD2 4.13Å; V198-F208 HydrophobicContact CB-CE2 3.63Å; V198-F208 HydrophobicContact CB-CZ 3.83Å; V198-F208 HydrophobicContact CG1-CE1 4.27Å; V198-F208 HydrophobicContact CG1-CE2 4.04Å; V198-F208 HydrophobicContact CG1-CZ 3.7Å; Q205-F208 PolarHBondContact O-N 2.88Å; F208-Q210 VanDerWaalsContact C-N 3.28Å; F208-Q210 PolarHBondContact O-N 2.73Å; F208-L211 HydrophobicContact CD1-CD1 4.29Å; F208-L211 WeakPolarHBondContact O-CB 3.19Å; F208-L211 PolarHBondContact O-N 2.75Å; F208-L211 VanDerWaalsContact O-N 3.15Å; F208-F212 WeakPolarHBondContact O-CD2 3.47Å; F208-F212 PolarHBondContact O-N 3.48Å; F208-V219 HydrophobicContact CB-CG1 4.32Å; F208-V219 HydrophobicContact CB-CG2 4.22Å; F208-L222 HydrophobicContact CD1-CD2 3.56Å; F208-L222 HydrophobicContact CE1-CD2 3.84Å; F208-L222 HydrophobicContact CG-CD2 4.21Å
209	L	97.3	Very high	96.6	Very high	55 Å²	55	59 Å²	59	29%	0.288	33%	0.327	S	S	.	.	H	α-helix	trans	-60.1	-40.1	175.2	-172.4	65.4	0	0	0	111.6	Q205 A206 F212 E213 G214 V219	Q205-L209 PolarHBondContact O-N 3.27Å; A206-L209 PolarHBondContact O-N 2.94Å; L209-F212 CarbonylContact O-C 3.23Å; L209-F212 PolarHBondContact O-N 2.93Å; L209-E213 PolarHBondContact O-N 3.19Å; L209-G214 PolarHBondContact O-N 2.92Å; L209-V219 HydrophobicContact CB-CG2 4.22Å; L209-V219 HydrophobicContact CD1-CG2 4.12Å
210	Q	97	Very high	96.6	Very high	157 Å²	157	65 Å²	65	73%	0.734	36%	0.355	S	S	*	.	H	α-helix	trans	-66	-40.9	174	-74.3	172.1	-12.7	0	0	112.6	A206 F208 F212 E213	A206-Q210 VanDerWaalsContact O-CG 3.29Å; A206-Q210 WeakPolarHBondContact O-CG 3.46Å; A206-Q210 PolarHBondContact O-N 3.42Å; F208-Q210 VanDerWaalsContact C-N 3.28Å; F208-Q210 PolarHBondContact O-N 2.73Å; Q210-F212 PolarHBondContact O-N 3.27Å; Q210-E213 PolarHBondContact O-N 3.41Å
211	L	95.9	Very high	96.8	Very high	51 Å²	51	68.5 Å²	68.5	27%	0.267	37%	0.37	S	S	.	.	H	α-helix	trans	-62.7	-32.3	176	-76.9	169.3	0	0	0	112.8	L108 S207 F208	L108-L211 HydrophobicContact CD1-CD1 4.5Å; L108-L211 HydrophobicContact CD1-CD2 4.06Å; L108-L211 HydrophobicContact CD2-CD2 4.38Å; L108-L211 HydrophobicContact CG-CD1 3.97Å; L108-L211 HydrophobicContact CG-CD2 4.13Å; S207-L211 WeakPolarHBondContact O-CG 3.45Å; S207-L211 PolarHBondContact O-N 3.23Å; S207-L211 VanDerWaalsContact O-N 3.11Å; F208-L211 HydrophobicContact CD1-CD1 4.29Å; F208-L211 WeakPolarHBondContact O-CB 3.19Å; F208-L211 PolarHBondContact O-N 2.75Å; F208-L211 VanDerWaalsContact O-N 3.15Å
212	F	97.1	Very high	97.1	Very high	12 Å²	12	65 Å²	65	5%	0.053	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	22.8	177	-62.9	-61.1	0	0	0	113.3	L53 L55 F208 L209 Q210 G214 D215 K218 V219 L222	L53-F212 HydrophobicContact CB-CE1 3.73Å; L53-F212 HydrophobicContact CB-CZ 4.01Å; L53-F212 HydrophobicContact CD1-CE1 4.43Å; L53-F212 HydrophobicContact CD1-CZ 3.9Å; L55-F212 HydrophobicContact CD1-CE1 3.82Å; L55-F212 HydrophobicContact CD1-CZ 3.94Å; L55-F212 HydrophobicContact CD2-CD1 4.45Å; L55-F212 HydrophobicContact CD2-CE1 4.29Å; L55-F212 HydrophobicContact CG-CD1 4.37Å; L55-F212 HydrophobicContact CG-CE1 3.74Å; L55-F212 HydrophobicContact CG-CZ 4.35Å; F208-F212 WeakPolarHBondContact O-CD2 3.47Å; F208-F212 PolarHBondContact O-N 3.48Å; L209-F212 CarbonylContact O-C 3.23Å; L209-F212 PolarHBondContact O-N 2.93Å; Q210-F212 PolarHBondContact O-N 3.27Å; F212-G214 PolarHBondContact O-N 3.42Å; F212-G214 VanDerWaalsContact O-N 3.07Å; F212-D215 HydrophobicContact CB-CB 4.28Å; F212-D215 VanDerWaalsContact O-CB 3.31Å; F212-D215 WeakPolarHBondContact O-CB 3.46Å; F212-D215 PolarHBondContact O-N 2.84Å; F212-K218 HydrophobicContact CB-CB 4.11Å; F212-K218 HydrophobicContact CB-CD 4.29Å; F212-K218 HydrophobicContact CD1-CB 3.97Å; F212-K218 HydrophobicContact CD1-CD 3.69Å; F212-K218 HydrophobicContact CD1-CG 4.49Å; F212-K218 HydrophobicContact CD2-CB 4.05Å; F212-K218 HydrophobicContact CE1-CB 4.38Å; F212-K218 HydrophobicContact CE1-CD 4.29Å; F212-K218 HydrophobicContact CE2-CB 4.47Å; F212-K218 HydrophobicContact CG-CB 3.79Å; F212-K218 HydrophobicContact CG-CD 4.16Å; F212-V219 HydrophobicContact CD2-CG2 3.86Å; F212-L222 HydrophobicContact CE2-CB 4.41Å; F212-L222 HydrophobicContact CE2-CD2 3.86Å; F212-L222 HydrophobicContact CZ-CD2 4.2Å
213	E	96.6	Very high	97.2	Very high	191 Å²	191	62.7 Å²	62.7	89%	0.893	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	30.8	173.3	-58.1	177.9	-164	0	0	114.3	L209 Q210	L209-E213 PolarHBondContact O-N 3.19Å; Q210-E213 PolarHBondContact O-N 3.41Å
214	G	96.3	Very high	97.4	Very high	43 Å²	43	68.4 Å²	68.4	44%	0.443	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	10.1	-179.4	0	0	0	0	0	115.5	L209 F212 D216	L209-G214 PolarHBondContact O-N 2.92Å; F212-G214 PolarHBondContact O-N 3.42Å; F212-G214 VanDerWaalsContact O-N 3.07Å; G214-D216 PolarHBondContact O-N 3.19Å
215	D	97.4	Very high	97.4	Very high	63 Å²	63	65.9 Å²	65.9	34%	0.337	34%	0.337	S	S	.	.			trans	-82.4	96.8	177.1	-171	-24	0	0	0	111.9	F212 H217 K218 V219	F212-D215 HydrophobicContact CB-CB 4.28Å; F212-D215 VanDerWaalsContact O-CB 3.31Å; F212-D215 WeakPolarHBondContact O-CB 3.46Å; F212-D215 PolarHBondContact O-N 2.84Å; D215-H217 PolarHBondContact O-N 3.5Å; D215-H217 WeakPolarHBondContact OD1-CA 3.48Å; D215-H217 WeakPolarHBondContact OD1-CB 3.46Å; D215-H217 PolarHBondContact OD1-N 2.94Å; D215-K218 HydrophobicContact CB-CB 4.33Å; D215-K218 HydrophobicContact CB-CD 4.31Å; D215-K218 HydrophobicContact CB-CG 4.32Å; D215-K218 PolarHBondContact O-N 3.43Å; D215-K218 PolarHBondContact OD1-N 2.99Å; D215-K218 VanDerWaalsContact OD1-N 3.16Å; D215-K218 WeakPolarHBondContact OD2-CG 3.27Å; D215-V219 PolarHBondContact O-N 3.47Å
216	D	97.3	Very high	97.4	Very high	105 Å²	105	63.9 Å²	63.9	56%	0.561	33%	0.328	S	S	*	.	H	α-helix	trans	-56.9	-35.9	176.3	-64.7	-80.7	0	0	0	112.6	G214 K218 V219 E220	G214-D216 PolarHBondContact O-N 3.19Å; D216-K218 PolarHBondContact O-N 3.05Å; D216-V219 WeakPolarHBondContact O-CB 3.09Å; D216-V219 PolarHBondContact O-N 3.36Å; D216-E220 PolarHBondContact O-N 3.23Å
217	H	97.6	Very high	97.5	Very high	111 Å²	111	62 Å²	62	51%	0.514	31%	0.312	S	S	.	.	H	α-helix	trans	-67.6	-39.6	-175.3	-170.4	57.2	0	0	0	111.6	D215 V219 E220 Q221	D215-H217 PolarHBondContact O-N 3.5Å; D215-H217 WeakPolarHBondContact OD1-CA 3.48Å; D215-H217 WeakPolarHBondContact OD1-CB 3.46Å; D215-H217 PolarHBondContact OD1-N 2.94Å; H217-V219 VanDerWaalsContact C-N 3.32Å; H217-V219 PolarHBondContact O-N 3.18Å; H217-E220 PolarHBondContact O-N 3.06Å; H217-Q221 PolarHBondContact CD2-NE2 3.1Å; H217-Q221 VanDerWaalsContact CD2-NE2 3.3Å; H217-Q221 PolarHBondContact NE2-NE2 3.43Å; H217-Q221 WeakPolarHBondContact O-CB 3.38Å; H217-Q221 WeakPolarHBondContact O-CG 3.27Å; H217-Q221 PolarHBondContact O-N 2.8Å
218	K	97.7	Very high	97.6	Very high	69 Å²	69	65.8 Å²	65.8	30%	0.3	33%	0.326	S	S	.	.	H	α-helix	trans	-64.6	-37.1	174.2	-74.5	-174.1	-178.8	-164.1	0	112.4	L53 F212 D215 D216 Q221 L222	L53-K218 HydrophobicContact CD2-CG 4.47Å; L53-K218 PolarHBondContact O-NZ 2.86Å; F212-K218 HydrophobicContact CB-CB 4.11Å; F212-K218 HydrophobicContact CB-CD 4.29Å; F212-K218 HydrophobicContact CD1-CB 3.97Å; F212-K218 HydrophobicContact CD1-CD 3.69Å; F212-K218 HydrophobicContact CD1-CG 4.49Å; F212-K218 HydrophobicContact CD2-CB 4.05Å; F212-K218 HydrophobicContact CE1-CB 4.38Å; F212-K218 HydrophobicContact CE1-CD 4.29Å; F212-K218 HydrophobicContact CE2-CB 4.47Å; F212-K218 HydrophobicContact CG-CB 3.79Å; F212-K218 HydrophobicContact CG-CD 4.16Å; D215-K218 HydrophobicContact CB-CB 4.33Å; D215-K218 HydrophobicContact CB-CD 4.31Å; D215-K218 HydrophobicContact CB-CG 4.32Å; D215-K218 PolarHBondContact O-N 3.43Å; D215-K218 PolarHBondContact OD1-N 2.99Å; D215-K218 VanDerWaalsContact OD1-N 3.16Å; D215-K218 WeakPolarHBondContact OD2-CG 3.27Å; D216-K218 PolarHBondContact O-N 3.05Å; K218-Q221 PolarHBondContact O-N 3.11Å; K218-L222 WeakPolarHBondContact O-CB 3.27Å; K218-L222 PolarHBondContact O-N 3.48Å
219	V	97.9	Very high	97.7	Very high	5 Å²	5	69.5 Å²	69.5	3%	0.03	34%	0.342	C	S	.	.	H	α-helix	trans	-63.6	-45.9	175.7	178.5	0	0	0	0	110.8	Q205 F208 L209 F212 D215 D216 H217 Q221 L222 D223	Q205-V219 HydrophobicContact CB-CG1 3.74Å; Q205-V219 HydrophobicContact CG-CG1 4.15Å; F208-V219 HydrophobicContact CB-CG1 4.32Å; F208-V219 HydrophobicContact CB-CG2 4.22Å; L209-V219 HydrophobicContact CB-CG2 4.22Å; L209-V219 HydrophobicContact CD1-CG2 4.12Å; F212-V219 HydrophobicContact CD2-CG2 3.86Å; D215-V219 PolarHBondContact O-N 3.47Å; D216-V219 WeakPolarHBondContact O-CB 3.09Å; D216-V219 PolarHBondContact O-N 3.36Å; H217-V219 VanDerWaalsContact C-N 3.32Å; H217-V219 PolarHBondContact O-N 3.18Å; V219-Q221 PolarHBondContact O-N 2.93Å; V219-L222 PolarHBondContact O-N 2.92Å; V219-D223 PolarHBondContact O-N 3Å; V219-D223 VanDerWaalsContact O-N 3.14Å
220	E	98.1	Very high	97.7	Very high	127 Å²	127	67 Å²	67	59%	0.593	33%	0.329	S	S	*	.	H	α-helix	trans	-62.6	-41	175.7	-71.3	-172.7	-108.6	0	0	112.3	D216 H217 D223 K224	D216-E220 PolarHBondContact O-N 3.23Å; H217-E220 PolarHBondContact O-N 3.06Å; E220-D223 PolarHBondContact O-N 3.21Å; E220-K224 PolarHBondContact O-N 3.3Å
221	Q	98.1	Very high	97.7	Very high	75 Å²	75	62 Å²	62	35%	0.35	32%	0.32	S	S	.	.	H	α-helix	trans	-63.9	-43.1	175.5	-74.7	-171.6	4.1	0	0	111.9	L53 H217 K218 V219 D223 K224 M225	L53-Q221 HydrophobicContact CD2-CB 3.89Å; H217-Q221 PolarHBondContact CD2-NE2 3.1Å; H217-Q221 VanDerWaalsContact CD2-NE2 3.3Å; H217-Q221 PolarHBondContact NE2-NE2 3.43Å; H217-Q221 WeakPolarHBondContact O-CB 3.38Å; H217-Q221 WeakPolarHBondContact O-CG 3.27Å; H217-Q221 PolarHBondContact O-N 2.8Å; K218-Q221 PolarHBondContact O-N 3.11Å; V219-Q221 PolarHBondContact O-N 2.93Å; Q221-D223 VanDerWaalsContact C-N 3.32Å; Q221-D223 PolarHBondContact O-N 3.32Å; Q221-K224 PolarHBondContact O-N 3.07Å; Q221-M225 WeakPolarHBondContact O-CB 3.5Å; Q221-M225 WeakPolarHBondContact O-CG 3.43Å; Q221-M225 PolarHBondContact O-N 2.89Å
222	L	98.4	Very high	97.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-56.8	-47.7	176.8	-178.6	59.5	0	0	0	110.8	L46 A49 E50 L53 V198 F208 F212 K218 V219 K224 M225 V226	L46-L222 HydrophobicContact CD1-CD1 4.24Å; L46-L222 HydrophobicContact CD1-CD2 4.28Å; A49-L222 HydrophobicContact CB-CD1 3.47Å; A49-L222 VanDerWaalsContact CB-CD1 3.47Å; E50-L222 HydrophobicContact CG-CD1 4.03Å; E50-L222 HydrophobicContact CG-CD2 4.27Å; L53-L222 HydrophobicContact CD1-CB 3.57Å; L53-L222 HydrophobicContact CD1-CD1 4.03Å; L53-L222 HydrophobicContact CD1-CG 4.35Å; V198-L222 HydrophobicContact CG1-CD2 4.38Å; V198-L222 HydrophobicContact CG1-CG 4.42Å; V198-L222 HydrophobicContact CG2-CB 4.25Å; V198-L222 HydrophobicContact CG2-CD2 4.04Å; V198-L222 HydrophobicContact CG2-CG 3.79Å; F208-L222 HydrophobicContact CD1-CD2 3.56Å; F208-L222 HydrophobicContact CE1-CD2 3.84Å; F208-L222 HydrophobicContact CG-CD2 4.21Å; F212-L222 HydrophobicContact CE2-CB 4.41Å; F212-L222 HydrophobicContact CE2-CD2 3.86Å; F212-L222 HydrophobicContact CZ-CD2 4.2Å; K218-L222 WeakPolarHBondContact O-CB 3.27Å; K218-L222 PolarHBondContact O-N 3.48Å; V219-L222 PolarHBondContact O-N 2.92Å; L222-K224 VanDerWaalsContact C-N 3.35Å; L222-K224 PolarHBondContact O-N 3.21Å; L222-M225 PolarHBondContact O-N 3.49Å; L222-V226 HydrophobicContact CD1-CG1 4.22Å; L222-V226 WeakPolarHBondContact O-CG2 3.41Å; L222-V226 PolarHBondContact O-N 3.39Å
223	D	98.3	Very high	97.8	Very high	21 Å²	21	68.9 Å²	68.9	11%	0.112	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-43	178.7	-163.6	47.6	0	0	0	112.5	G197 V198 K199 V219 E220 Q221 V226 T227	G197-D223 VanDerWaalsContact CA-OD1 3.23Å; G197-D223 WeakPolarHBondContact CA-OD1 3.41Å; V198-D223 VanDerWaalsContact CG2-CA 3.47Å; V198-D223 HydrophobicContact CG2-CB 3.73Å; V198-D223 PolarHBondContact N-OD1 3.38Å; K199-D223 IonicContact NZ-OD1 2.64Å; K199-D223 PolarHBondContact NZ-OD1 2.88Å; K199-D223 IonicContact NZ-OD2 3.35Å; K199-D223 PolarHBondContact NZ-OD2 2.63Å; V219-D223 PolarHBondContact O-N 3Å; V219-D223 VanDerWaalsContact O-N 3.14Å; E220-D223 PolarHBondContact O-N 3.21Å; Q221-D223 VanDerWaalsContact C-N 3.32Å; Q221-D223 PolarHBondContact O-N 3.32Å; D223-V226 WeakPolarHBondContact O-CG2 3.31Å; D223-T227 VanDerWaalsContact O-CB 3.28Å; D223-T227 WeakPolarHBondContact O-CB 3.34Å; D223-T227 PolarHBondContact O-N 3.32Å; D223-T227 PolarHBondContact O-OG1 2.59Å
224	K	98.4	Very high	97.8	Very high	132 Å²	132	66.7 Å²	66.7	57%	0.574	33%	0.331	S	S	*	.	H	α-helix	trans	-64.7	-46.9	176.3	-175.2	177.2	173.7	-176.3	0	111.9	E220 Q221 L222 T227 E228	E220-K224 PolarHBondContact O-N 3.3Å; Q221-K224 PolarHBondContact O-N 3.07Å; L222-K224 VanDerWaalsContact C-N 3.35Å; L222-K224 PolarHBondContact O-N 3.21Å; K224-T227 WeakPolarHBondContact O-CB 3.45Å; K224-T227 PolarHBondContact O-N 3.46Å; K224-E228 WeakPolarHBondContact CE-OE1 3.32Å; K224-E228 WeakPolarHBondContact CG-OE1 3.43Å; K224-E228 WeakPolarHBondContact O-CG 3.41Å; K224-E228 PolarHBondContact O-N 3.03Å
225	M	98.5	Very high	97.9	Very high	41 Å²	41	65.4 Å²	65.4	20%	0.202	32%	0.316	C	S	.	.	H	α-helix	trans	-62.5	-45.9	-177.5	-72.5	176.1	73.8	0	0	112.4	A49 T52 L53 Q221 L222 T227 E228 K229	A49-M225 HydrophobicContact CB-CB 4.02Å; A49-M225 HydrophobicContact CB-CE 4.02Å; A49-M225 HydrophobicContact CB-SD 4.32Å; T52-M225 HydrophobicContact CG2-CE 3.77Å; L53-M225 HydrophobicContact CD1-SD 4.39Å; L53-M225 HydrophobicContact CD2-SD 4.33Å; L53-M225 HydrophobicContact CG-SD 4.28Å; Q221-M225 WeakPolarHBondContact O-CB 3.5Å; Q221-M225 WeakPolarHBondContact O-CG 3.43Å; Q221-M225 PolarHBondContact O-N 2.89Å; L222-M225 PolarHBondContact O-N 3.49Å; M225-T227 VanDerWaalsContact C-N 3.29Å; M225-T227 PolarHBondContact O-N 3.17Å; M225-E228 PolarHBondContact O-N 3.41Å; M225-K229 WeakPolarHBondContact O-CB 3.46Å; M225-K229 WeakPolarHBondContact O-CG 3.41Å; M225-K229 PolarHBondContact O-N 2.98Å
226	V	98.3	Very high	97.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-67.7	-32.8	178.1	-59.7	0	0	0	0	111.9	A49 F195 V198 L222 D223 A230	A49-V226 HydrophobicContact CB-CG1 4.2Å; F195-V226 HydrophobicContact CE1-CG2 4.44Å; V198-V226 HydrophobicContact CG1-CG2 4.31Å; V198-V226 HydrophobicContact CG2-CG2 4.49Å; L222-V226 HydrophobicContact CD1-CG1 4.22Å; L222-V226 WeakPolarHBondContact O-CG2 3.41Å; L222-V226 PolarHBondContact O-N 3.39Å; D223-V226 WeakPolarHBondContact O-CG2 3.31Å; V226-A230 WeakPolarHBondContact O-CB 3.44Å; V226-A230 PolarHBondContact O-N 3.2Å
227	T	98.4	Very high	98	Very high	7 Å²	7	65.2 Å²	65.2	4%	0.043	31%	0.312	C	S	.	.	H	α-helix	trans	-66.2	-45	176.4	-62.2	0	0	0	0	111.5	F195 D223 K224 M225 A230 G231 F232 A235	F195-T227 HydrophobicContact CB-CG2 3.96Å; F195-T227 HydrophobicContact CD1-CG2 4.39Å; D223-T227 VanDerWaalsContact O-CB 3.28Å; D223-T227 WeakPolarHBondContact O-CB 3.34Å; D223-T227 PolarHBondContact O-N 3.32Å; D223-T227 PolarHBondContact O-OG1 2.59Å; K224-T227 WeakPolarHBondContact O-CB 3.45Å; K224-T227 PolarHBondContact O-N 3.46Å; M225-T227 VanDerWaalsContact C-N 3.29Å; M225-T227 PolarHBondContact O-N 3.17Å; T227-A230 PolarHBondContact O-N 3.15Å; T227-G231 PolarHBondContact O-N 3.44Å; T227-F232 HydrophobicContact CG2-CB 3.83Å; T227-F232 PolarHBondContact O-N 3.03Å; T227-F232 VanDerWaalsContact O-N 3.07Å; T227-A235 HydrophobicContact CG2-CB 4.07Å
228	E	98.2	Very high	98	Very high	116 Å²	116	66.9 Å²	66.9	54%	0.542	32%	0.324	S	S	.	.	H	α-helix	trans	-65.1	-44.7	176.4	-73.2	176	-175.7	0	0	111.6	K224 M225 A230 G231	K224-E228 WeakPolarHBondContact CE-OE1 3.32Å; K224-E228 WeakPolarHBondContact CG-OE1 3.43Å; K224-E228 WeakPolarHBondContact O-CG 3.41Å; K224-E228 PolarHBondContact O-N 3.03Å; M225-E228 PolarHBondContact O-N 3.41Å; E228-A230 VanDerWaalsContact C-N 3.26Å; E228-A230 PolarHBondContact O-N 3.44Å; E228-G231 WeakPolarHBondContact O-CA 3.36Å; E228-G231 PolarHBondContact O-N 3.29Å
229	K	98.2	Very high	98	Very high	78 Å²	78	64.5 Å²	64.5	34%	0.339	32%	0.315	S	S	.	.	H	α-helix	trans	-59.2	-36.3	175.2	-75.4	173.3	178.8	-77.3	0	112.5	W45 E48 M225 G231	W45-K229 HydrophobicContact CB-CB 4.3Å; W45-K229 HydrophobicContact CB-CD 3.84Å; W45-K229 HydrophobicContact CD2-CB 3.89Å; W45-K229 HydrophobicContact CE3-CB 4.42Å; W45-K229 HydrophobicContact CG-CB 3.82Å; W45-K229 HydrophobicContact CG-CD 3.93Å; W45-K229 HydrophobicContact CG-CG 4.42Å; W45-K229 WeakPolarHBondContact CZ2-O 3.39Å; E48-K229 IonicContact OE2-NZ 2.7Å; E48-K229 PolarHBondContact OE2-NZ 3.31Å; M225-K229 WeakPolarHBondContact O-CB 3.46Å; M225-K229 WeakPolarHBondContact O-CG 3.41Å; M225-K229 PolarHBondContact O-N 2.98Å; K229-G231 PolarHBondContact O-N 3.1Å
230	A	97.4	Very high	97.9	Very high	3 Å²	3	65.3 Å²	65.3	3%	0.025	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-4.9	174.8	0	0	0	0	0	114	W45 R125 F195 V226 T227 E228 F232	W45-A230 HydrophobicContact CE3-CB 4.21Å; W45-A230 HydrophobicContact CH2-CB 4.34Å; W45-A230 HydrophobicContact CZ3-CB 3.67Å; R125-A230 PolarHBondContact NH1-O 2.96Å; R125-A230 PolarHBondContact NH2-O 2.87Å; R125-A230 VanDerWaalsContact NH2-O 3.17Å; F195-A230 HydrophobicContact CD2-CB 4.34Å; F195-A230 HydrophobicContact CE1-CB 4.01Å; F195-A230 HydrophobicContact CE2-CB 3.76Å; F195-A230 HydrophobicContact CZ-CB 3.55Å; V226-A230 WeakPolarHBondContact O-CB 3.44Å; V226-A230 PolarHBondContact O-N 3.2Å; T227-A230 PolarHBondContact O-N 3.15Å; E228-A230 VanDerWaalsContact C-N 3.26Å; E228-A230 PolarHBondContact O-N 3.44Å; A230-F232 HydrophobicContact CB-CD2 4.07Å
231	G	97.8	Very high	97.8	Very high	52 Å²	52	61.4 Å²	61.4	54%	0.536	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	21.8	179.1	0	0	0	0	0	114.2	R125 T227 E228 K229	R125-G231 VanDerWaalsContact NH1-C 3.27Å; R125-G231 PolarHBondContact NH1-O 3.44Å; T227-G231 PolarHBondContact O-N 3.44Å; E228-G231 WeakPolarHBondContact O-CA 3.36Å; E228-G231 PolarHBondContact O-N 3.29Å; K229-G231 PolarHBondContact O-N 3.1Å
232	F	98.2	Very high	97.6	Very high	12 Å²	12	58.3 Å²	58.3	5%	0.053	29%	0.292	C	S	.	.			trans	-94.2	139.6	174.2	-80.5	-96.3	0	0	0	110.4	L121 I122 R125 L193 F195 T227 A230 R234	L121-F232 HydrophobicContact CB-CZ 4.19Å; I122-F232 HydrophobicContact CG1-CE2 3.96Å; R125-F232 HydrophobicContact CB-CZ 4.19Å; L193-F232 HydrophobicContact CB-CE1 4.36Å; L193-F232 HydrophobicContact CD2-CE1 4.06Å; L193-F232 HydrophobicContact CD2-CZ 4.34Å; L193-F232 HydrophobicContact CG-CE1 4.13Å; L193-F232 WeakPolarHBondContact O-CD1 3.43Å; F195-F232 HydrophobicContact CB-CB 3.81Å; F195-F232 HydrophobicContact CB-CD1 4.15Å; F195-F232 HydrophobicContact CB-CD2 4.16Å; F195-F232 HydrophobicContact CB-CG 3.78Å; F195-F232 AromaticContact CD2-CD2 3.43Å; F195-F232 HydrophobicContact CD2-CD2 3.43Å; F195-F232 VanDerWaalsContact CD2-CD2 3.43Å; F195-F232 AromaticContact CD2-CE2 3.58Å; F195-F232 HydrophobicContact CD2-CE2 3.58Å; F195-F232 AromaticContact CD2-CG 3.95Å; F195-F232 HydrophobicContact CD2-CG 3.95Å; F195-F232 HydrophobicContact CD2-CZ 4.2Å; F195-F232 HydrophobicContact CE2-CD2 4.04Å; F195-F232 HydrophobicContact CE2-CE2 4.01Å; F195-F232 HydrophobicContact CG-CB 4.37Å; F195-F232 HydrophobicContact CG-CD2 4.02Å; F195-F232 HydrophobicContact CG-CG 4.16Å; T227-F232 HydrophobicContact CG2-CB 3.83Å; T227-F232 PolarHBondContact O-N 3.03Å; T227-F232 VanDerWaalsContact O-N 3.07Å; A230-F232 HydrophobicContact CB-CD2 4.07Å; F232-R234 VanDerWaalsContact C-N 3.33Å
233	K	96.3	Very high	97.6	Very high	196 Å²	196	58.3 Å²	58.3	85%	0.852	29%	0.292	S	S	*	.	S	Bend	trans	-73.8	-26.7	177.7	-65.6	-179.2	-179.9	176.5	0	112.8
234	R	96.9	Very high	97.5	Very high	145 Å²	145	60.9 Å²	60.9	55%	0.547	31%	0.309	S	S	.	.			trans	-151.3	143.5	-171.7	-158.8	174.7	-177.3	172	3	111.1	R194 F195 F232	R194-R234 WeakPolarHBondContact CA-O 3.2Å; F195-R234 PolarHBondContact N-O 3.09Å; F232-R234 VanDerWaalsContact C-N 3.33Å
235	A	98.1	Very high	97.3	Very high	16 Å²	16	54.9 Å²	54.9	13%	0.132	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-102.9	163.1	168.8	0	0	0	0	0	111.6	F195 T227	F195-A235 HydrophobicContact CB-CB 4.41Å; F195-A235 CarbonylContact O-C 3.5Å; F195-A235 WeakPolarHBondContact O-CA 3.32Å; T227-A235 HydrophobicContact CG2-CB 4.07Å
236	F	98.4	Very high	97.2	Very high	30 Å²	30	59.7 Å²	59.7	13%	0.132	30%	0.303	C	S	.	.			trans	-68.4	136.3	164.6	-72.3	-77	0	0	0	110	R194 F195 K199 T239 V247	R194-F236 HydrophobicContact CB-CD2 3.87Å; R194-F236 HydrophobicContact CB-CE1 4.32Å; R194-F236 HydrophobicContact CB-CE2 3.65Å; R194-F236 HydrophobicContact CB-CG 4.29Å; R194-F236 HydrophobicContact CB-CZ 3.89Å; R194-F236 HydrophobicContact CG-CZ 4.44Å; R194-F236 WeakPolarHBondContact O-CE2 3.24Å; F195-F236 WeakPolarHBondContact O-CD2 3.26Å; F195-F236 PolarHBondContact O-N 3.14Å; K199-F236 WeakPolarHBondContact CE-O 3.39Å; K199-F236 PolarHBondContact NZ-O 3.38Å; F236-T239 HydrophobicContact CB-CG2 3.58Å; F236-T239 HydrophobicContact CG-CG2 4.32Å; F236-V247 HydrophobicContact CZ-CG2 3.94Å
237	I	98.2	Very high	97.2	Very high	133 Å²	133	60.5 Å²	60.5	68%	0.682	31%	0.307	S	S	*	.	S	Bend	trans	-81.6	-48	168.3	-61.2	172.2	0	0	0	108.7
238	I	98.3	Very high	97	Very high	146 Å²	146	60.5 Å²	60.5	75%	0.749	31%	0.307	S	S	*	.	S	Bend	trans	-101.8	122.6	-177.7	-53.4	-58.2	0	0	0	109.8
239	T	98.1	Very high	97	Very high	19 Å²	19	56.3 Å²	56.3	12%	0.117	29%	0.288	C	S	.	.			trans	-141.4	156.2	171.7	61.8	0	0	0	0	109.3	K199 G203 F236 T242	K199-T239 WeakPolarHBondContact CB-OG1 3.38Å; K199-T239 HydrophobicContact CG-CG2 4.16Å; K199-T239 VanDerWaalsContact CG-OG1 3.31Å; K199-T239 WeakPolarHBondContact CG-OG1 3.17Å; G203-T239 WeakPolarHBondContact CA-O 3.42Å; F236-T239 HydrophobicContact CB-CG2 3.58Å; F236-T239 HydrophobicContact CG-CG2 4.32Å; T239-T242 WeakPolarHBondContact CB-O 3.31Å
240	G	96.3	Very high	97	Very high	23 Å²	23	56.2 Å²	56.2	24%	0.237	29%	0.289	C	S	.	.	S	Bend	trans	-81.3	-131.7	155.5	0	0	0	0	0	109.2	T202 G203 T242	T202-G240 CarbonylContact C-O 3.45Å; G203-G240 WeakPolarHBondContact CA-O 3.4Å; G203-G240 PolarHBondContact N-O 3.4Å; G203-G240 VanDerWaalsContact N-O 3.13Å; G240-T242 VanDerWaalsContact C-N 3.3Å
241	Q	94.2	Very high	97	Very high	45 Å²	45	56.1 Å²	56.1	21%	0.21	29%	0.288	C	S	.	.	S	Bend	trans	-68.3	-32	169.5	-172.6	166	114.5	0	0	112.2	C113 R196 T201 E328 R329	C113-Q241 HydrophobicContact CB-CG 4.3Å; R196-Q241 VanDerWaalsContact CZ-O 3.23Å; R196-Q241 PolarHBondContact NE-O 3.39Å; R196-Q241 PolarHBondContact NH2-O 3.16Å; T201-Q241 WeakPolarHBondContact O-CA 3.36Å; T201-Q241 WeakPolarHBondContact O-CB 3.32Å; T201-Q241 WeakPolarHBondContact O-CG 3.03Å; T201-Q241 PolarHBondContact O-NE2 3.23Å; Q241-E328 PolarHBondContact N-O 3.36Å; Q241-R329 HydrophobicContact CB-CB 3.75Å; Q241-R329 HydrophobicContact CB-CG 4.45Å
242	T	95.4	Very high	97	Very high	9 Å²	9	53.8 Å²	53.8	6%	0.055	26%	0.263	C	S	.	.	S	Bend	trans	-119.1	169.9	-172.5	53.8	0	0	0	0	112.3	C113 D117 T239 G240 R245 R329	C113-T242 HydrophobicContact CB-CG2 4.5Å; D117-T242 WeakPolarHBondContact OD2-CA 3.49Å; D117-T242 WeakPolarHBondContact OD2-CB 3.31Å; D117-T242 VanDerWaalsContact OD2-CG2 3.28Å; D117-T242 WeakPolarHBondContact OD2-CG2 3.27Å; T239-T242 WeakPolarHBondContact CB-O 3.31Å; G240-T242 VanDerWaalsContact C-N 3.3Å; T242-R245 VanDerWaalsContact CG2-NH2 3.25Å; T242-R329 HydrophobicContact CG2-CG 4.48Å
243	Y	96.8	Very high	97	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-62.3	153.3	156.1	74.8	-101.2	0	0	0	109.4	D117 L121 R245 V247 D248 R351	D117-Y243 HydrophobicContact CB-CD1 3.83Å; D117-Y243 HydrophobicContact CB-CE1 4.19Å; D117-Y243 VanDerWaalsContact CG-CD1 3.47Å; D117-Y243 WeakPolarHBondContact OD2-CD1 3.5Å; D117-Y243 PolarHBondContact OD2-N 3.45Å; L121-Y243 HydrophobicContact CD1-CD1 3.75Å; L121-Y243 HydrophobicContact CD1-CE1 4.3Å; L121-Y243 HydrophobicContact CD1-CG 4.22Å; L121-Y243 HydrophobicContact CD2-CD1 3.99Å; L121-Y243 HydrophobicContact CD2-CD2 4.4Å; L121-Y243 HydrophobicContact CD2-CE1 3.94Å; L121-Y243 HydrophobicContact CD2-CE2 4.41Å; L121-Y243 HydrophobicContact CD2-CG 4.21Å; L121-Y243 HydrophobicContact CG-CD1 3.8Å; L121-Y243 HydrophobicContact CG-CE1 3.82Å; L121-Y243 HydrophobicContact CG-CG 4.43Å; Y243-R245 VanDerWaalsContact CZ-NH1 3.26Å; Y243-R245 PolarHBondContact O-N 3.21Å; Y243-V247 HydrophobicContact CD2-CB 3.94Å; Y243-V247 HydrophobicContact CD2-CG1 4.43Å; Y243-V247 HydrophobicContact CD2-CG2 4.13Å; Y243-V247 HydrophobicContact CE2-CB 3.85Å; Y243-V247 HydrophobicContact CE2-CG1 4.14Å; Y243-D248 VanDerWaalsContact CE2-OD1 3.23Å; Y243-D248 WeakPolarHBondContact CE2-OD1 3.24Å; Y243-D248 PolarHBondContact OH-OD1 3.32Å; Y243-D248 PolarHBondContact OH-OD2 3.49Å; Y243-R351 VanDerWaalsContact CE1-NH2 3.31Å; Y243-R351 VanDerWaalsContact CZ-NH2 3.28Å; Y243-R351 PolarHBondContact OH-NH2 3.19Å
244	T	96.6	Very high	97.1	Very high	76 Å²	76	46.6 Å²	46.6	47%	0.466	24%	0.239	S	C	.	.			trans	-65.7	127.9	-178.9	178.6	0	0	0	0	111.3	K246 V247	T244-K246 HydrophobicContact CG2-CB 4.21Å; T244-K246 PolarHBondContact O-N 3.45Å; T244-K246 PolarHBondContact OG1-N 2.64Å; T244-V247 HydrophobicContact CG2-CG2 4.09Å; T244-V247 WeakPolarHBondContact O-CB 3.19Å; T244-V247 WeakPolarHBondContact O-CG2 3.31Å; T244-V247 PolarHBondContact O-N 2.97Å
245	R	94.1	Very high	97.2	Very high	6 Å²	6	39.7 Å²	39.7	2%	0.023	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-5.6	177.4	-57.1	-50.9	-175.5	-152.6	4.5	113.7	D117 T242 Y243 V247 D248 I249 A322 Q325 R329 D333	D117-R245 IonicContact OD1-CZ 3.86Å; D117-R245 IonicContact OD1-NH1 3.28Å; D117-R245 PolarHBondContact OD1-NH1 3.04Å; D117-R245 IonicContact OD1-NH2 2.75Å; D117-R245 PolarHBondContact OD1-NH2 3.15Å; D117-R245 IonicContact OD2-CZ 2.88Å; D117-R245 IonicContact OD2-NH1 3.69Å; D117-R245 PolarHBondContact OD2-NH1 3.16Å; D117-R245 IonicContact OD2-NH2 2.73Å; T242-R245 VanDerWaalsContact CG2-NH2 3.25Å; Y243-R245 VanDerWaalsContact CZ-NH1 3.26Å; Y243-R245 PolarHBondContact O-N 3.21Å; R245-V247 PolarHBondContact O-N 3.41Å; R245-D248 WeakPolarHBondContact CD-OD2 3.5Å; R245-D248 WeakPolarHBondContact O-CB 3.47Å; R245-D248 PolarHBondContact O-N 3.47Å; R245-D248 VanDerWaalsContact O-N 3.1Å; R245-I249 PolarHBondContact O-N 2.87Å; R245-A322 HydrophobicContact CB-CB 3.97Å; R245-Q325 HydrophobicContact CG-CG 4.31Å; R245-R329 VanDerWaalsContact NH2-NH1 3.2Å; R245-D333 IonicContact CZ-OD2 3.45Å; R245-D333 IonicContact NE-OD2 2.93Å; R245-D333 PolarHBondContact NE-OD2 3.42Å; R245-D333 IonicContact NH2-OD2 3.11Å; R245-D333 PolarHBondContact NH2-OD2 3.47Å
246	K	97.4	Very high	97.2	Very high	142 Å²	142	39.5 Å²	39.5	62%	0.617	21%	0.211	S	C	*	.	H	α-helix	trans	-59.9	-28.6	165.4	-170.5	174.3	177.5	64	0	112.9	T244 D248 I249 E250	T244-K246 HydrophobicContact CG2-CB 4.21Å; T244-K246 PolarHBondContact O-N 3.45Å; T244-K246 PolarHBondContact OG1-N 2.64Å; K246-D248 VanDerWaalsContact C-N 3.29Å; K246-D248 PolarHBondContact O-N 3.13Å; K246-I249 WeakPolarHBondContact O-CB 3.44Å; K246-I249 PolarHBondContact O-N 3.44Å; K246-E250 PolarHBondContact O-N 2.97Å; K246-E250 VanDerWaalsContact O-N 3.11Å
247	V	97.6	Very high	97.2	Very high	16 Å²	16	40.5 Å²	40.5	10%	0.097	22%	0.222	C	C	.	.	H	α-helix	trans	-61	-40.6	172.7	172	0	0	0	0	110.8	L193 F236 Y243 T244 R245 I249 E250 V251	L193-V247 HydrophobicContact CD1-CG1 3.53Å; F236-V247 HydrophobicContact CZ-CG2 3.94Å; Y243-V247 HydrophobicContact CD2-CB 3.94Å; Y243-V247 HydrophobicContact CD2-CG1 4.43Å; Y243-V247 HydrophobicContact CD2-CG2 4.13Å; Y243-V247 HydrophobicContact CE2-CB 3.85Å; Y243-V247 HydrophobicContact CE2-CG1 4.14Å; T244-V247 HydrophobicContact CG2-CG2 4.09Å; T244-V247 WeakPolarHBondContact O-CB 3.19Å; T244-V247 WeakPolarHBondContact O-CG2 3.31Å; T244-V247 PolarHBondContact O-N 2.97Å; R245-V247 PolarHBondContact O-N 3.41Å; V247-I249 VanDerWaalsContact C-N 3.31Å; V247-I249 PolarHBondContact O-N 3.17Å; V247-E250 WeakPolarHBondContact O-CB 3.36Å; V247-E250 PolarHBondContact O-N 3.48Å; V247-E250 VanDerWaalsContact O-N 3.11Å; V247-V251 HydrophobicContact CG1-CG2 4.46Å; V247-V251 WeakPolarHBondContact O-CG2 3.46Å; V247-V251 PolarHBondContact O-N 2.59Å
248	D	95.5	Very high	97.2	Very high	8 Å²	8	34.2 Å²	34.2	4%	0.043	19%	0.19	C	C	.	.	H	α-helix	trans	-65.9	-36.9	-179.8	-60.2	-11.4	0	0	0	110.9	Y243 R245 K246 V251 L252 P318 R351 L355	Y243-D248 VanDerWaalsContact CE2-OD1 3.23Å; Y243-D248 WeakPolarHBondContact CE2-OD1 3.24Å; Y243-D248 PolarHBondContact OH-OD1 3.32Å; Y243-D248 PolarHBondContact OH-OD2 3.49Å; R245-D248 WeakPolarHBondContact CD-OD2 3.5Å; R245-D248 WeakPolarHBondContact O-CB 3.47Å; R245-D248 PolarHBondContact O-N 3.47Å; R245-D248 VanDerWaalsContact O-N 3.1Å; K246-D248 VanDerWaalsContact C-N 3.29Å; K246-D248 PolarHBondContact O-N 3.13Å; D248-V251 PolarHBondContact O-N 3.26Å; D248-L252 WeakPolarHBondContact O-CB 3.32Å; D248-L252 PolarHBondContact O-N 3.47Å; D248-P318 HydrophobicContact CB-CB 4.02Å; D248-R351 IonicContact OD2-NE 3.13Å; D248-R351 PolarHBondContact OD2-NE 2.86Å; D248-L355 HydrophobicContact CB-CD2 4.37Å
249	I	97	Very high	97.2	Very high	28 Å²	28	27.2 Å²	27.2	14%	0.144	15%	0.154	C	C	.	.	H	α-helix	trans	-59.6	-48	171.4	-63.9	169.4	0	0	0	110.2	R245 K246 V247 V251 L252 S253 P318 L319 A322	R245-I249 PolarHBondContact O-N 2.87Å; K246-I249 WeakPolarHBondContact O-CB 3.44Å; K246-I249 PolarHBondContact O-N 3.44Å; V247-I249 VanDerWaalsContact C-N 3.31Å; V247-I249 PolarHBondContact O-N 3.17Å; I249-V251 VanDerWaalsContact C-N 3.34Å; I249-V251 PolarHBondContact O-N 3.05Å; I249-L252 PolarHBondContact O-N 3.31Å; I249-S253 WeakPolarHBondContact O-CB 3.47Å; I249-S253 PolarHBondContact O-N 3.37Å; I249-S253 PolarHBondContact O-OG 3.42Å; I249-P318 HydrophobicContact CG1-CB 3.88Å; I249-P318 HydrophobicContact CG1-CG 4.46Å; I249-P318 WeakPolarHBondContact CG1-O 3.45Å; I249-L319 HydrophobicContact CD1-CD2 4.05Å; I249-L319 HydrophobicContact CG1-CD2 4.23Å; I249-L319 HydrophobicContact CG2-CD2 3.73Å; I249-L319 HydrophobicContact CG2-CG 4.39Å; I249-A322 HydrophobicContact CD1-CB 3.61Å; I249-A322 HydrophobicContact CG1-CB 4.33Å
250	E	97.9	Very high	97.3	Very high	76 Å²	76	28.5 Å²	28.5	36%	0.355	17%	0.166	S	C	.	.	H	α-helix	trans	-61.6	-43.2	-177.1	-172.8	172.3	175.3	0	0	111.8	R188 V189 K246 V247 V254	R188-E250 IonicContact CZ-OE1 3Å; R188-E250 IonicContact NH1-OE1 3.65Å; R188-E250 PolarHBondContact NH1-OE1 3.41Å; V189-E250 HydrophobicContact CG2-CG 3.85Å; K246-E250 PolarHBondContact O-N 2.97Å; K246-E250 VanDerWaalsContact O-N 3.11Å; V247-E250 WeakPolarHBondContact O-CB 3.36Å; V247-E250 PolarHBondContact O-N 3.48Å; V247-E250 VanDerWaalsContact O-N 3.11Å; E250-V254 PolarHBondContact O-N 2.85Å
251	V	97.9	Very high	97.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.2	-51	177.2	177.4	0	0	0	0	111.5	L124 V189 V247 D248 I249 S253 V254 L255 F359	L124-V251 HydrophobicContact CD2-CG1 4.43Å; V189-V251 HydrophobicContact CG1-CB 4.47Å; V189-V251 HydrophobicContact CG1-CG2 3.65Å; V247-V251 HydrophobicContact CG1-CG2 4.46Å; V247-V251 WeakPolarHBondContact O-CG2 3.46Å; V247-V251 PolarHBondContact O-N 2.59Å; D248-V251 PolarHBondContact O-N 3.26Å; I249-V251 VanDerWaalsContact C-N 3.34Å; I249-V251 PolarHBondContact O-N 3.05Å; V251-S253 VanDerWaalsContact C-N 3.34Å; V251-S253 PolarHBondContact O-N 3.38Å; V251-V254 WeakPolarHBondContact O-CG2 3.21Å; V251-V254 PolarHBondContact O-N 3.2Å; V251-L255 HydrophobicContact CG1-CD1 4.44Å; V251-L255 WeakPolarHBondContact O-CG 3.34Å; V251-L255 PolarHBondContact O-N 3.33Å; V251-F359 HydrophobicContact CG1-CE2 3.71Å; V251-F359 HydrophobicContact CG1-CZ 3.52Å
252	L	96.9	Very high	97.6	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-73.5	-26.7	-175.8	-96.2	56.8	0	0	0	112.8	D248 I249 L255 A256 P318 C354 L355 A358	D248-L252 WeakPolarHBondContact O-CB 3.32Å; D248-L252 PolarHBondContact O-N 3.47Å; I249-L252 PolarHBondContact O-N 3.31Å; L252-L255 HydrophobicContact CD1-CD1 4.5Å; L252-L255 PolarHBondContact O-N 3.41Å; L252-A256 VanDerWaalsContact O-CB 3.31Å; L252-A256 WeakPolarHBondContact O-CB 3.18Å; L252-A256 PolarHBondContact O-N 3.47Å; L252-P318 HydrophobicContact CB-CG 3.91Å; L252-P318 HydrophobicContact CD2-CG 3.69Å; L252-P318 HydrophobicContact CG-CG 4.42Å; L252-C354 HydrophobicContact CD2-CB 4.31Å; L252-L355 HydrophobicContact CD1-CD2 3.46Å; L252-L355 VanDerWaalsContact CD1-CD2 3.46Å; L252-L355 HydrophobicContact CD2-CD2 4.3Å; L252-A358 HydrophobicContact CD1-CB 4.16Å; L252-A358 HydrophobicContact CG-CB 4.08Å
253	S	98.4	Very high	97.8	Very high	47 Å²	47	27.4 Å²	27.4	33%	0.329	16%	0.155	S	C	.	.	H	α-helix	trans	-65.6	-40.9	175.5	-61.1	0	0	0	0	111.8	I249 V251 L255 A256 S257	I249-S253 WeakPolarHBondContact O-CB 3.47Å; I249-S253 PolarHBondContact O-N 3.37Å; I249-S253 PolarHBondContact O-OG 3.42Å; V251-S253 VanDerWaalsContact C-N 3.34Å; V251-S253 PolarHBondContact O-N 3.38Å; S253-L255 VanDerWaalsContact C-N 3.35Å; S253-A256 PolarHBondContact O-N 3.19Å; S253-S257 PolarHBondContact O-N 3.09Å
254	V	98.7	Very high	97.9	Very high	10 Å²	10	31.2 Å²	31.2	6%	0.061	17%	0.172	C	C	.	.	H	α-helix	trans	-70.5	-33.2	177.3	-59.3	0	0	0	0	111.8	N185 L186 V189 E250 V251 L258	N185-V254 HydrophobicContact CB-CB 4.1Å; N185-V254 HydrophobicContact CB-CG1 3.78Å; L186-V254 HydrophobicContact CD1-CB 4.08Å; L186-V254 HydrophobicContact CD1-CG2 3.87Å; V189-V254 HydrophobicContact CG2-CG1 3.93Å; V189-V254 HydrophobicContact CG2-CG2 4.09Å; E250-V254 PolarHBondContact O-N 2.85Å; V251-V254 WeakPolarHBondContact O-CG2 3.21Å; V251-V254 PolarHBondContact O-N 3.2Å; V254-L258 PolarHBondContact O-N 3.07Å; V254-L258 VanDerWaalsContact O-N 3.07Å
255	L	98.6	Very high	98	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-69.9	-38.4	173.1	-64	-179.3	0	0	0	112.2	L131 L186 V251 L252 S253 L258 G259 L311 A358 F359 A362	L131-L255 HydrophobicContact CD1-CD2 3.74Å; L186-L255 HydrophobicContact CD1-CD2 4.49Å; V251-L255 HydrophobicContact CG1-CD1 4.44Å; V251-L255 WeakPolarHBondContact O-CG 3.34Å; V251-L255 PolarHBondContact O-N 3.33Å; L252-L255 HydrophobicContact CD1-CD1 4.5Å; L252-L255 PolarHBondContact O-N 3.41Å; S253-L255 VanDerWaalsContact C-N 3.35Å; L255-L258 WeakPolarHBondContact O-CB 3.4Å; L255-L258 PolarHBondContact O-N 3.22Å; L255-G259 PolarHBondContact O-N 2.68Å; L255-L311 HydrophobicContact CB-CD1 4.06Å; L255-L311 HydrophobicContact CB-CD2 4.37Å; L255-L311 HydrophobicContact CB-CG 4.29Å; L255-L311 WeakPolarHBondContact O-CD2 3.23Å; L255-L311 WeakPolarHBondContact O-CG 3.34Å; L255-A358 HydrophobicContact CD1-CB 3.94Å; L255-F359 HydrophobicContact CD1-CD1 4.32Å; L255-F359 HydrophobicContact CD1-CD2 4.22Å; L255-F359 HydrophobicContact CD1-CE1 4.22Å; L255-F359 HydrophobicContact CD1-CE2 4.08Å; L255-F359 HydrophobicContact CD1-CG 4.34Å; L255-F359 HydrophobicContact CD1-CZ 4.1Å; L255-A362 HydrophobicContact CD2-CB 4.11Å
256	A	98.5	Very high	98.2	Very high	12 Å²	12	27.3 Å²	27.3	10%	0.099	15%	0.149	C	C	.	.	H	α-helix	trans	-64	-41.1	174.6	0	0	0	0	0	111.8	L252 S253 G259 A260 M312 V315	L252-A256 VanDerWaalsContact O-CB 3.31Å; L252-A256 WeakPolarHBondContact O-CB 3.18Å; L252-A256 PolarHBondContact O-N 3.47Å; S253-A256 PolarHBondContact O-N 3.19Å; A256-G259 WeakPolarHBondContact O-CA 3.37Å; A256-G259 PolarHBondContact O-N 3.28Å; A256-G259 VanDerWaalsContact O-N 3.11Å; A256-A260 PolarHBondContact O-N 3.3Å; A256-M312 WeakPolarHBondContact O-CG 3.5Å; A256-V315 HydrophobicContact CB-CB 3.91Å; A256-V315 HydrophobicContact CB-CG2 4.25Å
257	S	98.8	Very high	98.2	Very high	52 Å²	52	22.4 Å²	22.4	36%	0.364	13%	0.131	S	C	.	.	H	α-helix	trans	-57.6	-47.9	171.7	-178.1	0	0	0	0	111.5	D182 S253 G259 A260 S261	D182-S257 PolarHBondContact OD1-OG 3.33Å; S253-S257 PolarHBondContact O-N 3.09Å; S257-G259 PolarHBondContact O-N 3.05Å; S257-A260 WeakPolarHBondContact O-CA 3.44Å; S257-A260 WeakPolarHBondContact O-CB 3.39Å; S257-A260 PolarHBondContact O-N 3.44Å; S257-S261 PolarHBondContact O-N 2.99Å; S257-S261 PolarHBondContact O-OG 2.81Å
258	L	98.8	Very high	98.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57	-39.7	173.6	174	66.1	0	0	0	111.9	L135 L179 D182 V254 L255 A260 S261 V262 L366	L135-L258 HydrophobicContact CD1-CD1 4.17Å; L179-L258 HydrophobicContact CD2-CD1 3.94Å; D182-L258 HydrophobicContact CB-CB 4.3Å; D182-L258 HydrophobicContact CB-CD1 3.96Å; D182-L258 PolarHBondContact OD1-N 3.3Å; D182-L258 WeakPolarHBondContact OD2-CA 3.11Å; V254-L258 PolarHBondContact O-N 3.07Å; V254-L258 VanDerWaalsContact O-N 3.07Å; L255-L258 WeakPolarHBondContact O-CB 3.4Å; L255-L258 PolarHBondContact O-N 3.22Å; L258-A260 VanDerWaalsContact C-N 3.34Å; L258-A260 PolarHBondContact O-N 2.98Å; L258-S261 PolarHBondContact O-N 3.39Å; L258-V262 HydrophobicContact CD1-CG2 4.06Å; L258-V262 HydrophobicContact CG-CG2 4.42Å; L258-V262 WeakPolarHBondContact O-CG2 3.07Å; L258-V262 PolarHBondContact O-N 3.21Å; L258-L366 HydrophobicContact CD1-CD2 4.29Å; L258-L366 HydrophobicContact CD2-CD1 4.38Å; L258-L366 HydrophobicContact CD2-CD2 4.29Å; L258-L366 HydrophobicContact CD2-CG 4.44Å
259	G	98.6	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-56.3	-45.4	171.8	0	0	0	0	0	112.4	L255 A256 S257 V262 H263 A308	L255-G259 PolarHBondContact O-N 2.68Å; A256-G259 WeakPolarHBondContact O-CA 3.37Å; A256-G259 PolarHBondContact O-N 3.28Å; A256-G259 VanDerWaalsContact O-N 3.11Å; S257-G259 PolarHBondContact O-N 3.05Å; G259-V262 PolarHBondContact O-N 2.95Å; G259-H263 VanDerWaalsContact O-CB 3.28Å; G259-H263 WeakPolarHBondContact O-CB 3.29Å; G259-H263 PolarHBondContact O-N 3.37Å; G259-A308 WeakPolarHBondContact O-CB 3.23Å
260	A	98.8	Very high	98.4	Very high	46 Å²	46	25.7 Å²	25.7	38%	0.38	14%	0.142	S	C	.	.	H	α-helix	trans	-62.1	-46.7	176.9	0	0	0	0	0	112.1	A256 S257 L258 V262 H263 K264 M312	A256-A260 PolarHBondContact O-N 3.3Å; S257-A260 WeakPolarHBondContact O-CA 3.44Å; S257-A260 WeakPolarHBondContact O-CB 3.39Å; S257-A260 PolarHBondContact O-N 3.44Å; L258-A260 VanDerWaalsContact C-N 3.34Å; L258-A260 PolarHBondContact O-N 2.98Å; A260-V262 PolarHBondContact O-N 3.39Å; A260-H263 PolarHBondContact O-N 3.45Å; A260-K264 WeakPolarHBondContact O-CB 3.37Å; A260-K264 PolarHBondContact O-N 2.84Å; A260-M312 HydrophobicContact CB-SD 3.77Å
261	S	98.8	Very high	98.5	Very high	11 Å²	11	25.1 Å²	25.1	8%	0.077	14%	0.141	C	C	.	.	H	α-helix	trans	-55.5	-53.5	176.2	-53.5	0	0	0	0	111	D182 S257 L258 H263 K264 I265	D182-S261 WeakPolarHBondContact OD2-CB 3.49Å; D182-S261 PolarHBondContact OD2-OG 3.11Å; S257-S261 PolarHBondContact O-N 2.99Å; S257-S261 PolarHBondContact O-OG 2.81Å; L258-S261 PolarHBondContact O-N 3.39Å; S261-H263 PolarHBondContact O-N 2.98Å; S261-K264 PolarHBondContact O-N 3.3Å; S261-I265 WeakPolarHBondContact O-CD1 3.43Å; S261-I265 WeakPolarHBondContact O-CG1 3.39Å; S261-I265 PolarHBondContact O-N 3.24Å
262	V	98.7	Very high	98.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.3	-41.6	-179.8	174.1	0	0	0	0	111.7	L179 L258 G259 A260 K264 I265 C266 C304 A308 I365 L369	L179-V262 HydrophobicContact CD2-CG2 4.44Å; L258-V262 HydrophobicContact CD1-CG2 4.06Å; L258-V262 HydrophobicContact CG-CG2 4.42Å; L258-V262 WeakPolarHBondContact O-CG2 3.07Å; L258-V262 PolarHBondContact O-N 3.21Å; G259-V262 PolarHBondContact O-N 2.95Å; A260-V262 PolarHBondContact O-N 3.39Å; V262-K264 VanDerWaalsContact C-N 3.31Å; V262-K264 PolarHBondContact O-N 3.29Å; V262-I265 PolarHBondContact O-N 3.06Å; V262-C266 WeakPolarHBondContact O-CB 3.43Å; V262-C266 PolarHBondContact O-N 3.47Å; V262-C304 HydrophobicContact CG1-CB 4.03Å; V262-A308 HydrophobicContact CB-CB 4.38Å; V262-A308 HydrophobicContact CG1-CB 4.33Å; V262-I365 HydrophobicContact CB-CD1 4.41Å; V262-I365 HydrophobicContact CG1-CB 4.32Å; V262-I365 HydrophobicContact CG1-CD1 4.5Å; V262-I365 HydrophobicContact CG2-CD1 4.17Å; V262-L369 HydrophobicContact CG1-CD2 4.3Å; V262-L369 HydrophobicContact CG2-CD2 3.89Å
263	H	98.7	Very high	98.4	Very high	42 Å²	42	26.2 Å²	26.2	19%	0.194	15%	0.149	C	C	.	.	H	α-helix	trans	-61.2	-42.3	178.9	-169.6	-64.6	0	0	0	111.1	G259 A260 S261 T267 C305 A308 R309 M312	G259-H263 VanDerWaalsContact O-CB 3.28Å; G259-H263 WeakPolarHBondContact O-CB 3.29Å; G259-H263 PolarHBondContact O-N 3.37Å; A260-H263 PolarHBondContact O-N 3.45Å; S261-H263 PolarHBondContact O-N 2.98Å; H263-T267 PolarHBondContact ND1-OG1 3.34Å; H263-T267 VanDerWaalsContact O-CB 3.29Å; H263-T267 WeakPolarHBondContact O-CB 3.41Å; H263-T267 PolarHBondContact O-N 2.99Å; H263-T267 PolarHBondContact O-OG1 3.47Å; H263-C305 PolarHBondContact CD2-O 3.14Å; H263-A308 HydrophobicContact CB-CB 4.08Å; H263-R309 PolarHBondContact NE2-NH2 3.3Å; H263-M312 HydrophobicContact CB-CE 4.25Å
264	K	98.8	Very high	98.4	Very high	81 Å²	81	29.3 Å²	29.3	35%	0.352	16%	0.162	S	C	.	.	H	α-helix	trans	-64.5	-47.8	177.6	-177.8	-95.8	-174.2	-72.1	0	111.8	A260 S261 V262 T267 D268	A260-K264 WeakPolarHBondContact O-CB 3.37Å; A260-K264 PolarHBondContact O-N 2.84Å; S261-K264 PolarHBondContact O-N 3.3Å; V262-K264 VanDerWaalsContact C-N 3.31Å; V262-K264 PolarHBondContact O-N 3.29Å; K264-T267 PolarHBondContact O-N 2.98Å; K264-D268 IonicContact NZ-OD1 3.26Å; K264-D268 PolarHBondContact NZ-OD1 3.45Å; K264-D268 VanDerWaalsContact NZ-OD1 3.08Å; K264-D268 IonicContact NZ-OD2 3.52Å; K264-D268 PolarHBondContact NZ-OD2 2.88Å; K264-D268 PolarHBondContact O-N 3.1Å
265	I	98.7	Very high	98.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.3	-51.8	179.3	-64.4	166.5	0	0	0	110.7	W175 L179 S261 V262 T267 D268 I269 L369	W175-I265 HydrophobicContact CB-CD1 3.79Å; W175-I265 HydrophobicContact CB-CG1 3.62Å; W175-I265 HydrophobicContact CB-CG2 4.26Å; W175-I265 HydrophobicContact CD2-CG2 4Å; W175-I265 HydrophobicContact CE3-CG2 4.25Å; W175-I265 HydrophobicContact CG-CB 4.32Å; W175-I265 HydrophobicContact CG-CD1 4.43Å; W175-I265 HydrophobicContact CG-CG1 3.73Å; W175-I265 HydrophobicContact CG-CG2 4.01Å; L179-I265 HydrophobicContact CD1-CD1 3.86Å; L179-I265 HydrophobicContact CD2-CD1 4.06Å; L179-I265 HydrophobicContact CG-CD1 3.82Å; S261-I265 WeakPolarHBondContact O-CD1 3.43Å; S261-I265 WeakPolarHBondContact O-CG1 3.39Å; S261-I265 PolarHBondContact O-N 3.24Å; V262-I265 PolarHBondContact O-N 3.06Å; I265-T267 VanDerWaalsContact C-N 3.25Å; I265-T267 PolarHBondContact O-N 3.34Å; I265-D268 WeakPolarHBondContact O-CB 3.16Å; I265-D268 PolarHBondContact O-N 2.99Å; I265-I269 HydrophobicContact CG2-CD1 4.06Å; I265-I269 WeakPolarHBondContact O-CG1 3.2Å; I265-I269 PolarHBondContact O-N 3Å; I265-L369 HydrophobicContact CG2-CD1 4.39Å
266	C	98.6	Very high	98.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.8	-26.7	-179.4	-70.5	0	0	0	0	112.6	V262 R270 S301 C304 C305	V262-C266 WeakPolarHBondContact O-CB 3.43Å; V262-C266 PolarHBondContact O-N 3.47Å; C266-R270 VanDerWaalsContact O-CD 3.26Å; C266-R270 WeakPolarHBondContact O-CD 3.28Å; C266-R270 WeakPolarHBondContact O-CG 3.41Å; C266-R270 PolarHBondContact O-N 2.72Å; C266-S301 WeakPolarHBondContact CB-O 3.48Å; C266-C304 HydrophobicContact CB-CB 4.2Å; C266-C304 WeakPolarHBondContact SG-CB 3.48Å; C266-C305 VanDerWaalsContact CB-SG 3.5Å
267	T	98.7	Very high	98.1	Very high	39 Å²	39	35.3 Å²	35.3	24%	0.239	19%	0.186	C	C	.	.	H	α-helix	trans	-67.3	-45.1	171.8	-62.8	0	0	0	0	111.3	H263 K264 I265 I269 R270 L271	H263-T267 PolarHBondContact ND1-OG1 3.34Å; H263-T267 VanDerWaalsContact O-CB 3.29Å; H263-T267 WeakPolarHBondContact O-CB 3.41Å; H263-T267 PolarHBondContact O-N 2.99Å; H263-T267 PolarHBondContact O-OG1 3.47Å; K264-T267 PolarHBondContact O-N 2.98Å; I265-T267 VanDerWaalsContact C-N 3.25Å; I265-T267 PolarHBondContact O-N 3.34Å; T267-I269 VanDerWaalsContact C-N 3.31Å; T267-I269 PolarHBondContact O-N 3.45Å; T267-R270 PolarHBondContact O-N 2.94Å; T267-L271 HydrophobicContact CG2-CD1 4.44Å; T267-L271 WeakPolarHBondContact O-CG 3.07Å; T267-L271 PolarHBondContact O-N 3.42Å
268	D	98.6	Very high	98	Very high	34 Å²	34	33.1 Å²	33.1	18%	0.182	17%	0.17	C	C	.	.	H	α-helix	trans	-58.8	-44.5	175	-72.1	-1.8	0	0	0	111.1	W175 K264 I265 R270 L271 L272	W175-D268 HydrophobicContact CZ2-CB 3.8Å; W175-D268 PolarHBondContact NE1-OD2 3.39Å; K264-D268 IonicContact NZ-OD1 3.26Å; K264-D268 PolarHBondContact NZ-OD1 3.45Å; K264-D268 VanDerWaalsContact NZ-OD1 3.08Å; K264-D268 IonicContact NZ-OD2 3.52Å; K264-D268 PolarHBondContact NZ-OD2 2.88Å; K264-D268 PolarHBondContact O-N 3.1Å; I265-D268 WeakPolarHBondContact O-CB 3.16Å; I265-D268 PolarHBondContact O-N 2.99Å; D268-R270 VanDerWaalsContact C-N 3.32Å; D268-R270 PolarHBondContact O-N 3.48Å; D268-L271 PolarHBondContact O-N 3.04Å; D268-L272 VanDerWaalsContact O-CG 3.3Å; D268-L272 WeakPolarHBondContact O-CG 3.45Å; D268-L272 PolarHBondContact O-N 3.05Å
269	I	98.2	Very high	97.8	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-60.4	-41.8	178.1	-65.7	168.5	0	0	0	111	W175 I265 T267 L271 L272 A273 I372 L376	W175-I269 HydrophobicContact CH2-CG1 4.09Å; W175-I269 HydrophobicContact CZ3-CG1 4.49Å; I265-I269 HydrophobicContact CG2-CD1 4.06Å; I265-I269 WeakPolarHBondContact O-CG1 3.2Å; I265-I269 PolarHBondContact O-N 3Å; T267-I269 VanDerWaalsContact C-N 3.31Å; T267-I269 PolarHBondContact O-N 3.45Å; I269-L271 VanDerWaalsContact C-N 3.34Å; I269-L271 PolarHBondContact O-N 3.01Å; I269-L272 PolarHBondContact O-N 3.41Å; I269-A273 WeakPolarHBondContact O-CB 3.25Å; I269-A273 PolarHBondContact O-N 3.35Å; I269-I372 HydrophobicContact CD1-CG2 4.03Å; I269-L376 HydrophobicContact CD1-CD2 4.43Å
270	R	98.1	Very high	97.5	Very high	84 Å²	84	35.8 Å²	35.8	32%	0.317	18%	0.182	S	C	.	.	H	α-helix	trans	-63.1	-39.4	176.4	-70.6	160.3	62.3	-144.1	-3	112.2	C266 T267 D268 A273 N274 P298 E302	C266-R270 VanDerWaalsContact O-CD 3.26Å; C266-R270 WeakPolarHBondContact O-CD 3.28Å; C266-R270 WeakPolarHBondContact O-CG 3.41Å; C266-R270 PolarHBondContact O-N 2.72Å; T267-R270 PolarHBondContact O-N 2.94Å; D268-R270 VanDerWaalsContact C-N 3.32Å; D268-R270 PolarHBondContact O-N 3.48Å; R270-A273 PolarHBondContact O-N 3.31Å; R270-N274 PolarHBondContact O-N 2.77Å; R270-N274 VanDerWaalsContact O-N 3.15Å; R270-P298 HydrophobicContact CB-CG 4.21Å; R270-P298 HydrophobicContact CG-CB 3.98Å; R270-P298 HydrophobicContact CG-CG 3.76Å; R270-E302 HydrophobicContact CG-CG 4.3Å
271	L	98.3	Very high	97.1	Very high	65 Å²	65	34.6 Å²	34.6	34%	0.34	17%	0.171	S	C	.	.	H	α-helix	trans	-67.2	-42.5	174.6	-65.8	174.5	0	0	0	111.3	F160 T267 D268 I269 A273 N274 L275	F160-L271 HydrophobicContact CE1-CD2 4.2Å; F160-L271 HydrophobicContact CE2-CB 4.24Å; F160-L271 HydrophobicContact CE2-CD1 4.32Å; F160-L271 HydrophobicContact CZ-CB 4.2Å; F160-L271 HydrophobicContact CZ-CD2 4.06Å; T267-L271 HydrophobicContact CG2-CD1 4.44Å; T267-L271 WeakPolarHBondContact O-CG 3.07Å; T267-L271 PolarHBondContact O-N 3.42Å; D268-L271 PolarHBondContact O-N 3.04Å; I269-L271 VanDerWaalsContact C-N 3.34Å; I269-L271 PolarHBondContact O-N 3.01Å; L271-A273 VanDerWaalsContact C-N 3.29Å; L271-A273 PolarHBondContact O-N 3.46Å; L271-N274 WeakPolarHBondContact O-CB 3.46Å; L271-N274 PolarHBondContact O-N 3.47Å; L271-L275 WeakPolarHBondContact O-CG 3.13Å; L271-L275 PolarHBondContact O-N 3.39Å
272	L	97.9	Very high	96.2	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.042	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-32.9	176.7	-67.7	168.2	0	0	0	112.7	W175 D268 I269 L275 K276 E277 M278	W175-L272 HydrophobicContact CH2-CD1 4.16Å; W175-L272 HydrophobicContact CZ2-CD1 4.26Å; D268-L272 VanDerWaalsContact O-CG 3.3Å; D268-L272 WeakPolarHBondContact O-CG 3.45Å; D268-L272 PolarHBondContact O-N 3.05Å; I269-L272 PolarHBondContact O-N 3.41Å; L272-L275 HydrophobicContact CD2-CD1 4.45Å; L272-L275 CarbonylContact O-C 3.59Å; L272-L275 PolarHBondContact O-N 2.83Å; L272-K276 PolarHBondContact O-N 3.45Å; L272-E277 HydrophobicContact CD2-CB 4.3Å; L272-E277 WeakPolarHBondContact CD2-OE2 3.17Å; L272-E277 PolarHBondContact O-N 3.46Å; L272-M278 CarbonylContact C-O 3.6Å; L272-M278 HydrophobicContact CB-CB 3.92Å; L272-M278 HydrophobicContact CD1-CB 4.4Å; L272-M278 HydrophobicContact CD1-CE 4.15Å; L272-M278 HydrophobicContact CD1-SD 4.24Å
273	A	96.1	Very high	95.2	Very high	18 Å²	18	42 Å²	42	15%	0.149	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-40.5	172.7	0	0	0	0	0	111.8	I269 R270 L271 L275 K276 M278 P298	I269-A273 WeakPolarHBondContact O-CB 3.25Å; I269-A273 PolarHBondContact O-N 3.35Å; R270-A273 PolarHBondContact O-N 3.31Å; L271-A273 VanDerWaalsContact C-N 3.29Å; L271-A273 PolarHBondContact O-N 3.46Å; A273-L275 VanDerWaalsContact C-N 3.3Å; A273-L275 PolarHBondContact O-N 2.86Å; A273-K276 PolarHBondContact O-N 3.47Å; A273-K276 VanDerWaalsContact O-N 3.1Å; A273-M278 WeakPolarHBondContact CA-O 3.1Å; A273-M278 PolarHBondContact N-O 3.39Å; A273-P298 HydrophobicContact CB-CB 4.33Å; A273-P298 HydrophobicContact CB-CG 4.34Å
274	N	97.3	Very high	93.9	Very high	112 Å²	112	50.3 Å²	50.3	60%	0.599	24%	0.239	S	C	*	.	H	α-helix	trans	-58.7	-45.4	171.5	174.5	-91.2	0	0	0	111.3	R270 L271 K276	R270-N274 PolarHBondContact O-N 2.77Å; R270-N274 VanDerWaalsContact O-N 3.15Å; L271-N274 WeakPolarHBondContact O-CB 3.46Å; L271-N274 PolarHBondContact O-N 3.47Å; N274-K276 PolarHBondContact O-N 3.46Å; N274-K276 PolarHBondContact O-NZ 2.83Å
275	L	96.4	Very high	92.9	Very high	21 Å²	21	55.1 Å²	55.1	11%	0.11	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-10.8	177.2	-66.2	178.2	0	0	0	114	F157 F160 L271 L272 A273 E277 R386	F157-L275 HydrophobicContact CE2-CD1 3.71Å; F157-L275 HydrophobicContact CZ-CD1 3.7Å; F160-L275 HydrophobicContact CE2-CD1 4.02Å; F160-L275 HydrophobicContact CZ-CD1 4.21Å; F160-L275 HydrophobicContact CZ-CD2 4.36Å; F160-L275 HydrophobicContact CZ-CG 4.34Å; L271-L275 WeakPolarHBondContact O-CG 3.13Å; L271-L275 PolarHBondContact O-N 3.39Å; L272-L275 HydrophobicContact CD2-CD1 4.45Å; L272-L275 CarbonylContact O-C 3.59Å; L272-L275 PolarHBondContact O-N 2.83Å; A273-L275 VanDerWaalsContact C-N 3.3Å; A273-L275 PolarHBondContact O-N 2.86Å; L275-E277 HydrophobicContact CB-CG 4.03Å; L275-E277 PolarHBondContact O-N 2.81Å; L275-R386 PolarHBondContact O-NH1 2.86Å; L275-R386 PolarHBondContact O-NH2 3.29Å
276	K	96.7	Very high	91.8	Very high	125 Å²	125	56.7 Å²	56.7	54%	0.543	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	26.3	-176	-40.5	-170.9	-165.3	-34.1	0	113.7	L272 A273 N274 Y379 V382	L272-K276 PolarHBondContact O-N 3.45Å; A273-K276 PolarHBondContact O-N 3.47Å; A273-K276 VanDerWaalsContact O-N 3.1Å; N274-K276 PolarHBondContact O-N 3.46Å; N274-K276 PolarHBondContact O-NZ 2.83Å; K276-Y379 WeakPolarHBondContact O-CD2 3.31Å; K276-V382 HydrophobicContact CB-CG1 4.19Å; K276-V382 WeakPolarHBondContact O-CB 3.38Å; K276-V382 WeakPolarHBondContact O-CG1 2.93Å
277	E	97	Very high	90.1	Very high	2 Å²	2	63 Å²	63	1%	0.009	30%	0.302	C	S	.	.	S	Bend	trans	-87.9	-32.8	177.1	-65	-172.2	163.6	0	0	111.5	L272 L275 Y379 V382 I383 R386	L272-E277 HydrophobicContact CD2-CB 4.3Å; L272-E277 WeakPolarHBondContact CD2-OE2 3.17Å; L272-E277 PolarHBondContact O-N 3.46Å; L275-E277 HydrophobicContact CB-CG 4.03Å; L275-E277 PolarHBondContact O-N 2.81Å; E277-Y379 PolarHBondContact O-N 2.84Å; E277-V382 HydrophobicContact CG-CG1 4.48Å; E277-I383 HydrophobicContact CB-CD1 4.25Å; E277-I383 HydrophobicContact CB-CG1 3.74Å; E277-I383 HydrophobicContact CG-CG1 3.71Å; E277-R386 WeakPolarHBondContact OE1-CD 3.47Å; E277-R386 IonicContact OE1-CZ 3.29Å; E277-R386 IonicContact OE1-NE 3.76Å; E277-R386 IonicContact OE1-NH1 3.79Å; E277-R386 PolarHBondContact OE1-NH1 3.25Å
278	M	96.7	Very high	88.4	Confident	6 Å²	6	62.2 Å²	62.2	3%	0.03	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	139.1	-178.2	-169	-177.8	-61.8	0	0	110.4	F145 V168 W175 L272 A273 L376 V377 V378	F145-M278 HydrophobicContact CE1-CE 3.99Å; F145-M278 HydrophobicContact CZ-CE 3.69Å; F145-M278 HydrophobicContact CZ-SD 4.37Å; V168-M278 HydrophobicContact CG1-CE 3.83Å; W175-M278 HydrophobicContact CH2-CE 4.47Å; W175-M278 HydrophobicContact CH2-SD 4.32Å; L272-M278 CarbonylContact C-O 3.6Å; L272-M278 HydrophobicContact CB-CB 3.92Å; L272-M278 HydrophobicContact CD1-CB 4.4Å; L272-M278 HydrophobicContact CD1-CE 4.15Å; L272-M278 HydrophobicContact CD1-SD 4.24Å; A273-M278 WeakPolarHBondContact CA-O 3.1Å; A273-M278 PolarHBondContact N-O 3.39Å; M278-L376 HydrophobicContact CG-CD2 4.27Å; M278-L376 HydrophobicContact SD-CD1 4.1Å; M278-L376 HydrophobicContact SD-CD2 3.91Å; M278-L376 HydrophobicContact SD-CG 4.4Å; M278-V377 CarbonylContact C-O 3.59Å; M278-V377 WeakPolarHBondContact CA-O 3.49Å; M278-V377 WeakPolarHBondContact CG-O 3.29Å; M278-V378 HydrophobicContact CE-CG2 4.23Å; M278-V378 HydrophobicContact CG-CG2 4.4Å
279	E	94.1	Very high	86.7	Confident	40 Å²	40	62 Å²	62	19%	0.187	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	152.9	175.4	-75.4	178.4	165.7	0	0	110.8	R296 V377 Y379	E279-R296 IonicContact OE2-NH1 3.41Å; E279-V377 PolarHBondContact N-O 2.96Å; E279-V377 PolarHBondContact O-N 2.88Å; E279-Y379 HydrophobicContact CB-CE2 4.15Å; E279-Y379 HydrophobicContact CG-CE2 3.79Å; E279-Y379 WeakPolarHBondContact OE2-CE2 3.44Å; E279-Y379 PolarHBondContact OE2-OH 2.96Å
280	E	92.8	Very high	85.4	Confident	15 Å²	15	68 Å²	68	7%	0.07	35%	0.346	C	S	.	.			trans	-73.5	157.6	170.4	70.1	178.8	-148.9	0	0	111.1	F282 P298 M299 R300 S301 I372	E280-F282 PolarHBondContact O-N 3.37Å; E280-P298 VanDerWaalsContact CD-C 3.43Å; E280-P298 VanDerWaalsContact OE1-C 3.27Å; E280-P298 WeakPolarHBondContact OE1-CA 3.35Å; E280-P298 VanDerWaalsContact OE2-CA 3.31Å; E280-P298 WeakPolarHBondContact OE2-CA 3.41Å; E280-M299 PolarHBondContact OE1-N 2.63Å; E280-R300 PolarHBondContact OE1-N 3.07Å; E280-R300 PolarHBondContact OE2-N 2.75Å; E280-S301 PolarHBondContact OE2-N 2.86Å; E280-S301 PolarHBondContact OE2-OG 2.91Å; E280-I372 HydrophobicContact CB-CG2 4.43Å
281	P	89.9	Confident	83.8	Confident	21 Å²	21	67.8 Å²	67.8	14%	0.136	36%	0.362	C	S	.	.			trans	-60.1	134.9	-178.2	8.8	-16	0	0	0	111.9	R300 N371 I372 G375	P281-R300 PolarHBondContact O-NH1 3.18Å; P281-N371 WeakPolarHBondContact CG-O 3.35Å; P281-I372 WeakPolarHBondContact CD-O 3.44Å; P281-G375 WeakPolarHBondContact CA-O 3.26Å; P281-G375 VanDerWaalsContact CB-O 3.32Å; P281-G375 WeakPolarHBondContact CB-O 3.15Å; P281-G375 VanDerWaalsContact CD-O 3.3Å; P281-G375 WeakPolarHBondContact CD-O 3.42Å
282	F	80.8	Confident	82.4	Confident	68 Å²	68	67.7 Å²	67.7	30%	0.298	36%	0.36	S	S	.	.			trans	-114.9	123	-178.7	-162.2	-97.2	0	0	0	110.7	E280 Q286 R296	E280-F282 PolarHBondContact O-N 3.37Å; F282-Q286 HydrophobicContact CD1-CB 4.11Å; F282-Q286 HydrophobicContact CD2-CB 4.28Å; F282-Q286 HydrophobicContact CD2-CG 4.12Å; F282-Q286 HydrophobicContact CE1-CB 3.75Å; F282-Q286 HydrophobicContact CE1-CG 4.42Å; F282-Q286 WeakPolarHBondContact CE1-O 3.33Å; F282-Q286 HydrophobicContact CE2-CB 3.93Å; F282-Q286 HydrophobicContact CE2-CG 3.68Å; F282-Q286 HydrophobicContact CG-CB 4.39Å; F282-Q286 HydrophobicContact CZ-CB 3.67Å; F282-Q286 HydrophobicContact CZ-CG 3.86Å; F282-Q286 WeakPolarHBondContact CZ-O 3.41Å; F282-R296 HydrophobicContact CD2-CG 4.22Å; F282-R296 HydrophobicContact CE2-CG 4Å; F282-R296 HydrophobicContact CZ-CG 4.35Å
283	E	77.3	Confident	81	Confident	99 Å²	99	73.7 Å²	73.7	46%	0.463	40%	0.4	S	S	.	.			trans	-72.2	150.9	178	-69.6	166.5	-147.4	0	0	111.5	Q285 Q286 R300	E283-Q285 PolarHBondContact O-N 2.91Å; E283-Q285 VanDerWaalsContact O-N 3.09Å; E283-Q286 HydrophobicContact CB-CB 4.04Å; E283-Q286 WeakPolarHBondContact O-CB 3.4Å; E283-Q286 PolarHBondContact O-N 3.15Å; E283-R300 IonicContact OE1-NH2 3.62Å; E283-R300 PolarHBondContact OE1-NH2 3.41Å
284	K	71.7	Confident	80	Confident	217 Å²	217	81.8 Å²	81.8	94%	0.943	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-31	-174.2	-171.4	177.6	179.1	-179.3	0	113.7
285	Q	76.6	Confident	79.3	Confident	182 Å²	182	80.6 Å²	80.6	85%	0.85	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	4.1	-179.2	-67.3	178.5	-25.7	0	0	113.2	E283 I287	E283-Q285 PolarHBondContact O-N 2.91Å; E283-Q285 VanDerWaalsContact O-N 3.09Å; Q285-I287 PolarHBondContact O-N 2.74Å
286	Q	75.4	Confident	78.7	Confident	32 Å²	32	85.8 Å²	85.8	15%	0.15	44%	0.435	C	S	.	.			trans	-67.1	132	-176.5	-171.1	173.4	-8.3	0	0	110.3	F282 E283	F282-Q286 HydrophobicContact CD1-CB 4.11Å; F282-Q286 HydrophobicContact CD2-CB 4.28Å; F282-Q286 HydrophobicContact CD2-CG 4.12Å; F282-Q286 HydrophobicContact CE1-CB 3.75Å; F282-Q286 HydrophobicContact CE1-CG 4.42Å; F282-Q286 WeakPolarHBondContact CE1-O 3.33Å; F282-Q286 HydrophobicContact CE2-CB 3.93Å; F282-Q286 HydrophobicContact CE2-CG 3.68Å; F282-Q286 HydrophobicContact CG-CB 4.39Å; F282-Q286 HydrophobicContact CZ-CB 3.67Å; F282-Q286 HydrophobicContact CZ-CG 3.86Å; F282-Q286 WeakPolarHBondContact CZ-O 3.41Å; E283-Q286 HydrophobicContact CB-CB 4.04Å; E283-Q286 WeakPolarHBondContact O-CB 3.4Å; E283-Q286 PolarHBondContact O-N 3.15Å
287	I	62.8	Low	78.4	Confident	132 Å²	132	82.5 Å²	82.5	68%	0.677	42%	0.424	S	S	*	.			trans	-100.7	114.1	173.9	-62.1	177.3	0	0	0	107.4	Q285 S289	Q285-I287 PolarHBondContact O-N 2.74Å; I287-S289 VanDerWaalsContact CG2-O 3.31Å; I287-S289 WeakPolarHBondContact CG2-O 3.31Å
288	G	63	Low	78.2	Confident	23 Å²	23	83.3 Å²	83.3	24%	0.237	43%	0.429	C	S	.	.	S	Bend	trans	-76.7	-27.5	-177.5	0	0	0	0	0	114.2	K295 N297	G288-K295 CarbonylContact C-O 3.44Å; G288-K295 WeakPolarHBondContact CA-O 3.41Å; G288-N297 PolarHBondContact O-ND2 3.43Å
289	S	64.1	Low	78.1	Confident	29 Å²	29	86.5 Å²	86.5	20%	0.203	45%	0.445	C	S	.	.			trans	-153.3	142.8	176.1	177	0	0	0	0	110.2	I287 A291 M292	I287-S289 VanDerWaalsContact CG2-O 3.31Å; I287-S289 WeakPolarHBondContact CG2-O 3.31Å; S289-A291 PolarHBondContact O-N 3.15Å; S289-A291 PolarHBondContact OG-N 3.32Å; S289-M292 PolarHBondContact OG-N 3.45Å
290	S	69.7	Low	78.1	Confident	129 Å²	129	85 Å²	85	90%	0.902	44%	0.437	S	S	*	.	S	Bend	trans	-65.2	-16.9	175.1	51.8	0	0	0	0	114.1
291	A	65.8	Low	78.2	Confident	80 Å²	80	84.2 Å²	84.2	66%	0.661	43%	0.434	S	S	*	.	S	Bend	trans	-124.8	-22.5	-174.1	0	0	0	0	0	114.8	S289	S289-A291 PolarHBondContact O-N 3.15Å; S289-A291 PolarHBondContact OG-N 3.32Å
292	M	68.1	Low	78.6	Confident	63 Å²	63	87.4 Å²	87.4	31%	0.31	45%	0.447	S	S	.	.			trans	-122.3	101.8	-174.1	-71.1	178.9	-80.4	0	0	111.6	S289 Y294 K295	S289-M292 PolarHBondContact OG-N 3.45Å; M292-Y294 VanDerWaalsContact C-N 3.26Å; M292-Y294 HydrophobicContact CB-CE1 4.32Å; M292-Y294 HydrophobicContact CG-CE1 4.47Å; M292-Y294 PolarHBondContact O-N 2.95Å; M292-K295 HydrophobicContact CB-CB 3.77Å; M292-K295 HydrophobicContact CE-CD 3.44Å; M292-K295 VanDerWaalsContact CE-CD 3.44Å; M292-K295 PolarHBondContact O-N 2.74Å; M292-K295 VanDerWaalsContact O-N 3.12Å; M292-K295 HydrophobicContact SD-CD 4.14Å
293	P	68.1	Low	79.3	Confident	133 Å²	133	85.8 Å²	85.8	86%	0.864	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.6	-172.1	25.6	-34.1	0	0	0	114.2
294	Y	75.3	Confident	80.3	Confident	188 Å²	188	81.1 Å²	81.1	74%	0.737	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-11	177.1	64.4	-96	0	0	0	113.6	M292 R296	M292-Y294 VanDerWaalsContact C-N 3.26Å; M292-Y294 HydrophobicContact CB-CE1 4.32Å; M292-Y294 HydrophobicContact CG-CE1 4.47Å; M292-Y294 PolarHBondContact O-N 2.95Å; Y294-R296 PolarHBondContact O-N 3.21Å
295	K	82.7	Confident	81.5	Confident	87 Å²	87	71 Å²	71	38%	0.378	37%	0.373	S	S	.	.			trans	-85.1	110.4	-171.7	-174.5	173.6	-179.9	174.6	0	110.6	G288 M292 N297	G288-K295 CarbonylContact C-O 3.44Å; G288-K295 WeakPolarHBondContact CA-O 3.41Å; M292-K295 HydrophobicContact CB-CB 3.77Å; M292-K295 HydrophobicContact CE-CD 3.44Å; M292-K295 VanDerWaalsContact CE-CD 3.44Å; M292-K295 PolarHBondContact O-N 2.74Å; M292-K295 VanDerWaalsContact O-N 3.12Å; M292-K295 HydrophobicContact SD-CD 4.14Å; K295-N297 WeakPolarHBondContact CE-OD1 3.47Å
296	R	84.6	Confident	82.5	Confident	131 Å²	131	65.7 Å²	65.7	49%	0.494	36%	0.356	S	S	.	.			trans	-101.3	126.3	169.6	-65.6	-176.5	176.6	173.6	-1.5	109.6	E279 F282 Y294	E279-R296 IonicContact OE2-NH1 3.41Å; F282-R296 HydrophobicContact CD2-CG 4.22Å; F282-R296 HydrophobicContact CE2-CG 4Å; F282-R296 HydrophobicContact CZ-CG 4.35Å; Y294-R296 PolarHBondContact O-N 3.21Å
297	N	90.5	Very high	83.6	Confident	55 Å²	55	65.1 Å²	65.1	29%	0.294	35%	0.354	S	S	.	.			trans	-110.4	142.7	-179.5	-61.5	-49.1	0	0	0	109.9	G288 K295 M299	G288-N297 PolarHBondContact O-ND2 3.43Å; K295-N297 WeakPolarHBondContact CE-OD1 3.47Å; N297-M299 PolarHBondContact O-N 3.29Å
298	P	93.4	Very high	85.2	Confident	19 Å²	19	58.9 Å²	58.9	12%	0.123	32%	0.322	C	S	.	.			trans	-77.5	57.4	176	34.5	-37.2	0	0	0	111.9	R270 A273 E280 R300 S301 E302	R270-P298 HydrophobicContact CB-CG 4.21Å; R270-P298 HydrophobicContact CG-CB 3.98Å; R270-P298 HydrophobicContact CG-CG 3.76Å; A273-P298 HydrophobicContact CB-CB 4.33Å; A273-P298 HydrophobicContact CB-CG 4.34Å; E280-P298 VanDerWaalsContact CD-C 3.43Å; E280-P298 VanDerWaalsContact OE1-C 3.27Å; E280-P298 WeakPolarHBondContact OE1-CA 3.35Å; E280-P298 VanDerWaalsContact OE2-CA 3.31Å; E280-P298 WeakPolarHBondContact OE2-CA 3.41Å; P298-R300 VanDerWaalsContact C-N 3.34Å; P298-R300 PolarHBondContact O-N 3.38Å; P298-S301 PolarHBondContact O-N 3.3Å; P298-E302 WeakPolarHBondContact O-CG 3.45Å; P298-E302 PolarHBondContact O-N 3.43Å
299	M	92.9	Very high	86.9	Confident	73 Å²	73	63.9 Å²	63.9	36%	0.36	33%	0.334	S	S	.	.	H	α-helix	trans	-64.7	-33.6	-171.4	58.4	127.8	82.6	0	0	113.3	E280 N297 E302 R303	E280-M299 PolarHBondContact OE1-N 2.63Å; N297-M299 PolarHBondContact O-N 3.29Å; M299-E302 PolarHBondContact O-N 3.01Å; M299-R303 WeakPolarHBondContact O-CB 3.43Å; M299-R303 PolarHBondContact O-N 3.48Å
300	R	94	Very high	88.4	Confident	8 Å²	8	65.8 Å²	65.8	3%	0.03	34%	0.339	C	S	.	.	H	α-helix	trans	-69.9	-43.6	177.9	-62	178.8	179.5	153.9	9.7	109.7	E280 P281 E283 P298 R303 C304 T368 N371 I372 L496	E280-R300 PolarHBondContact OE1-N 3.07Å; E280-R300 PolarHBondContact OE2-N 2.75Å; P281-R300 PolarHBondContact O-NH1 3.18Å; E283-R300 IonicContact OE1-NH2 3.62Å; E283-R300 PolarHBondContact OE1-NH2 3.41Å; P298-R300 VanDerWaalsContact C-N 3.34Å; P298-R300 PolarHBondContact O-N 3.38Å; R300-R303 PolarHBondContact O-N 2.87Å; R300-C304 PolarHBondContact O-N 3.4Å; R300-T368 HydrophobicContact CB-CG2 3.97Å; R300-N371 PolarHBondContact NH1-OD1 3.45Å; R300-I372 HydrophobicContact CB-CD1 3.78Å; R300-I372 HydrophobicContact CB-CG1 3.81Å; R300-L496 HydrophobicContact CG-CD1 4.34Å
301	S	96.8	Very high	89.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-39.6	175.3	-53.7	0	0	0	0	111.8	C266 E280 P298 C304 C305	C266-S301 WeakPolarHBondContact CB-O 3.48Å; E280-S301 PolarHBondContact OE2-N 2.86Å; E280-S301 PolarHBondContact OE2-OG 2.91Å; P298-S301 PolarHBondContact O-N 3.3Å; S301-C304 PolarHBondContact O-N 2.87Å; S301-C305 PolarHBondContact O-N 3.07Å; S301-C305 PolarHBondContact O-SG 2.85Å
302	E	97.1	Very high	91.1	Very high	87 Å²	87	58.8 Å²	58.8	41%	0.407	28%	0.28	S	S	.	.	H	α-helix	trans	-63.9	-42	174	-74.1	174.2	147	0	0	112.4	R270 P298 M299 C305 S306	R270-E302 HydrophobicContact CG-CG 4.3Å; P298-E302 WeakPolarHBondContact O-CG 3.45Å; P298-E302 PolarHBondContact O-N 3.43Å; M299-E302 PolarHBondContact O-N 3.01Å; E302-C305 PolarHBondContact O-N 3.2Å; E302-S306 WeakPolarHBondContact O-CB 3.32Å; E302-S306 PolarHBondContact O-N 3.45Å
303	R	95.9	Very high	92.4	Very high	35 Å²	35	60 Å²	60	13%	0.132	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-44.8	173.8	-179.9	165.6	68.3	-161.6	9.2	111.4	M299 R300 S306 L307 L498	M299-R303 WeakPolarHBondContact O-CB 3.43Å; M299-R303 PolarHBondContact O-N 3.48Å; R300-R303 PolarHBondContact O-N 2.87Å; R303-S306 PolarHBondContact O-N 3.25Å; R303-L307 HydrophobicContact CG-CD1 4.06Å; R303-L307 PolarHBondContact O-N 2.9Å; R303-L498 VanDerWaalsContact CZ-O 3.31Å; R303-L498 PolarHBondContact NH1-O 3.32Å; R303-L498 PolarHBondContact NH2-O 3.48Å
304	C	97.6	Very high	93.6	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.007	25%	0.253	C	S	.	.	H	α-helix	trans	-57.9	-48.1	173.6	-76.3	0	0	0	0	111.7	V262 C266 R300 S301 S306 L307 A308 T368	V262-C304 HydrophobicContact CG1-CB 4.03Å; C266-C304 HydrophobicContact CB-CB 4.2Å; C266-C304 WeakPolarHBondContact SG-CB 3.48Å; R300-C304 PolarHBondContact O-N 3.4Å; S301-C304 PolarHBondContact O-N 2.87Å; C304-S306 VanDerWaalsContact C-N 3.31Å; C304-S306 PolarHBondContact O-N 3.47Å; C304-L307 PolarHBondContact O-N 3.32Å; C304-A308 WeakPolarHBondContact O-CB 3.47Å; C304-A308 PolarHBondContact O-N 2.77Å; C304-T368 VanDerWaalsContact SG-CG2 3.51Å
305	C	98	Very high	94.5	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.02	23%	0.225	C	C	.	.	H	α-helix	trans	-59.5	-41.2	175.8	-70.6	0	0	0	0	112.4	H263 C266 S301 E302 R309	H263-C305 PolarHBondContact CD2-O 3.14Å; C266-C305 VanDerWaalsContact CB-SG 3.5Å; S301-C305 PolarHBondContact O-N 3.07Å; S301-C305 PolarHBondContact O-SG 2.85Å; E302-C305 PolarHBondContact O-N 3.2Å; C305-R309 WeakPolarHBondContact O-CB 3.45Å; C305-R309 PolarHBondContact O-N 3.2Å; C305-R309 VanDerWaalsContact O-N 3.08Å
306	S	97.7	Very high	95	Very high	71 Å²	71	47.1 Å²	47.1	50%	0.497	23%	0.23	S	C	.	.	H	α-helix	trans	-63.2	-49.6	-179.4	-165.7	0	0	0	0	111.9	E302 R303 C304 R309 H310	E302-S306 WeakPolarHBondContact O-CB 3.32Å; E302-S306 PolarHBondContact O-N 3.45Å; R303-S306 PolarHBondContact O-N 3.25Å; C304-S306 VanDerWaalsContact C-N 3.31Å; C304-S306 PolarHBondContact O-N 3.47Å; S306-R309 WeakPolarHBondContact O-CB 3.34Å; S306-R309 PolarHBondContact O-N 2.74Å; S306-H310 PolarHBondContact O-N 3.47Å
307	L	96.8	Very high	95.2	Very high	21 Å²	21	44 Å²	44	11%	0.11	22%	0.223	C	C	.	.	H	α-helix	trans	-70.3	-40.4	179.6	-71.4	177	0	0	0	112.3	L17 Y21 R303 C304 R309 H310 L311 T361 T364 I365	L17-L307 HydrophobicContact CD2-CD2 4.31Å; Y21-L307 HydrophobicContact CD2-CD2 4.49Å; Y21-L307 HydrophobicContact CE2-CD2 4.49Å; R303-L307 HydrophobicContact CG-CD1 4.06Å; R303-L307 PolarHBondContact O-N 2.9Å; C304-L307 PolarHBondContact O-N 3.32Å; L307-R309 PolarHBondContact O-N 2.69Å; L307-H310 WeakPolarHBondContact O-CB 3.43Å; L307-H310 PolarHBondContact O-N 3.43Å; L307-L311 PolarHBondContact O-N 3.33Å; L307-T361 HydrophobicContact CB-CG2 3.89Å; L307-T361 HydrophobicContact CD2-CG2 4.47Å; L307-T361 WeakPolarHBondContact O-CG2 3.32Å; L307-T364 HydrophobicContact CD1-CG2 3.49Å; L307-T364 VanDerWaalsContact CD1-CG2 3.49Å; L307-I365 HydrophobicContact CB-CG2 3.54Å; L307-I365 HydrophobicContact CD1-CG2 4.29Å
308	A	97.9	Very high	95.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-32.2	175.3	0	0	0	0	0	112.4	G259 V262 H263 C304 L311 M312	G259-A308 WeakPolarHBondContact O-CB 3.23Å; V262-A308 HydrophobicContact CB-CB 4.38Å; V262-A308 HydrophobicContact CG1-CB 4.33Å; H263-A308 HydrophobicContact CB-CB 4.08Å; C304-A308 WeakPolarHBondContact O-CB 3.47Å; C304-A308 PolarHBondContact O-N 2.77Å; A308-L311 PolarHBondContact O-N 3.28Å; A308-M312 WeakPolarHBondContact O-CG 3.48Å; A308-M312 PolarHBondContact O-N 3.21Å
309	R	97.8	Very high	95.2	Very high	128 Å²	128	44.1 Å²	44.1	48%	0.483	22%	0.223	S	C	.	.	H	α-helix	trans	-65.1	-42.4	172.3	-169.3	-176.1	-56.6	119.6	10.3	112.4	H263 C305 S306 L307 L311 M312 T313	H263-R309 PolarHBondContact NE2-NH2 3.3Å; C305-R309 WeakPolarHBondContact O-CB 3.45Å; C305-R309 PolarHBondContact O-N 3.2Å; C305-R309 VanDerWaalsContact O-N 3.08Å; S306-R309 WeakPolarHBondContact O-CB 3.34Å; S306-R309 PolarHBondContact O-N 2.74Å; L307-R309 PolarHBondContact O-N 2.69Å; R309-L311 VanDerWaalsContact C-N 3.3Å; R309-L311 PolarHBondContact O-N 2.96Å; R309-M312 HydrophobicContact CB-CE 4.36Å; R309-M312 PolarHBondContact O-N 3.33Å; R309-T313 PolarHBondContact O-N 3.06Å; R309-T313 VanDerWaalsContact O-N 3.12Å; R309-T313 PolarHBondContact O-OG1 3.33Å; R309-T313 VanDerWaalsContact O-OG1 3.08Å
310	H	95.9	Very high	95.2	Very high	69 Å²	69	46 Å²	46	32%	0.319	23%	0.231	S	C	.	.	H	α-helix	trans	-59.1	-45.5	173.7	-171.6	54.7	0	0	0	110.9	S306 L307 M312 T313 L314 E357	S306-H310 PolarHBondContact O-N 3.47Å; L307-H310 WeakPolarHBondContact O-CB 3.43Å; L307-H310 PolarHBondContact O-N 3.43Å; H310-M312 VanDerWaalsContact C-N 3.3Å; H310-M312 PolarHBondContact O-N 2.95Å; H310-T313 WeakPolarHBondContact O-CB 3.26Å; H310-T313 PolarHBondContact O-N 2.92Å; H310-L314 WeakPolarHBondContact O-CG 3.33Å; H310-L314 PolarHBondContact O-N 2.86Å; H310-L314 VanDerWaalsContact O-N 3.09Å; H310-E357 IonicContact CE1-OE2 3.61Å; H310-E357 IonicContact NE2-OE2 3.06Å; H310-E357 PolarHBondContact NE2-OE2 2.87Å
311	L	95.6	Very high	94.9	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-59.7	-38.1	179.2	-164.2	58.9	0	0	0	113.1	L255 L307 A308 R309 A358 T361 A362 I365	L255-L311 HydrophobicContact CB-CD1 4.06Å; L255-L311 HydrophobicContact CB-CD2 4.37Å; L255-L311 HydrophobicContact CB-CG 4.29Å; L255-L311 WeakPolarHBondContact O-CD2 3.23Å; L255-L311 WeakPolarHBondContact O-CG 3.34Å; L307-L311 PolarHBondContact O-N 3.33Å; A308-L311 PolarHBondContact O-N 3.28Å; R309-L311 VanDerWaalsContact C-N 3.3Å; R309-L311 PolarHBondContact O-N 2.96Å; L311-A358 HydrophobicContact CD1-CB 3.76Å; L311-A358 VanDerWaalsContact CD1-O 3.23Å; L311-A358 WeakPolarHBondContact CD1-O 3.46Å; L311-T361 HydrophobicContact CB-CG2 4.01Å; L311-T361 HydrophobicContact CD1-CG2 4.45Å; L311-A362 HydrophobicContact CD2-CB 4.01Å; L311-I365 HydrophobicContact CD2-CD1 3.69Å
312	M	97.4	Very high	94.6	Very high	61 Å²	61	47.9 Å²	47.9	30%	0.3	25%	0.246	S	C	.	.	H	α-helix	trans	-66.4	-39.6	173	-72	-174.6	-69.6	0	0	112.6	A256 A260 H263 A308 R309 H310 V315	A256-M312 WeakPolarHBondContact O-CG 3.5Å; A260-M312 HydrophobicContact CB-SD 3.77Å; H263-M312 HydrophobicContact CB-CE 4.25Å; A308-M312 WeakPolarHBondContact O-CG 3.48Å; A308-M312 PolarHBondContact O-N 3.21Å; R309-M312 HydrophobicContact CB-CE 4.36Å; R309-M312 PolarHBondContact O-N 3.33Å; H310-M312 VanDerWaalsContact C-N 3.3Å; H310-M312 PolarHBondContact O-N 2.95Å; M312-V315 VanDerWaalsContact O-CG1 3.27Å; M312-V315 WeakPolarHBondContact O-CG1 3.34Å
313	T	95.6	Very high	94.5	Very high	89 Å²	89	48.1 Å²	48.1	55%	0.546	26%	0.258	S	S	.	.	H	α-helix	trans	-66.1	-38.2	-179	-58.7	0	0	0	0	112.4	R309 H310 V315 M316	R309-T313 PolarHBondContact O-N 3.06Å; R309-T313 VanDerWaalsContact O-N 3.12Å; R309-T313 PolarHBondContact O-OG1 3.33Å; R309-T313 VanDerWaalsContact O-OG1 3.08Å; H310-T313 WeakPolarHBondContact O-CB 3.26Å; H310-T313 PolarHBondContact O-N 2.92Å; T313-V315 PolarHBondContact O-N 3.1Å; T313-M316 PolarHBondContact O-N 3.15Å
314	L	92.9	Very high	94.3	Very high	11 Å²	11	49.2 Å²	49.2	6%	0.058	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.3	-175.1	-72.4	176	0	0	0	114.4	H310 M316 D317 P318 C354 E357 A358	H310-L314 WeakPolarHBondContact O-CG 3.33Å; H310-L314 PolarHBondContact O-N 2.86Å; H310-L314 VanDerWaalsContact O-N 3.09Å; L314-M316 PolarHBondContact O-N 3.23Å; L314-D317 PolarHBondContact O-N 3.26Å; L314-P318 VanDerWaalsContact O-CD 3.25Å; L314-P318 WeakPolarHBondContact O-CD 3.27Å; L314-C354 HydrophobicContact CD2-CB 4.24Å; L314-E357 HydrophobicContact CD1-CB 4.11Å; L314-A358 HydrophobicContact CD1-CB 3.99Å
315	V	94.1	Very high	93.9	Very high	27 Å²	27	51.2 Å²	51.2	16%	0.164	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.3	178.9	76	0	0	0	0	113.2	A256 M312 T313 D317 P318 L319	A256-V315 HydrophobicContact CB-CB 3.91Å; A256-V315 HydrophobicContact CB-CG2 4.25Å; M312-V315 VanDerWaalsContact O-CG1 3.27Å; M312-V315 WeakPolarHBondContact O-CG1 3.34Å; T313-V315 PolarHBondContact O-N 3.1Å; V315-D317 VanDerWaalsContact C-N 3.27Å; V315-D317 PolarHBondContact O-N 3.02Å; V315-P318 VanDerWaalsContact O-CD 3.27Å; V315-P318 WeakPolarHBondContact O-CD 3.27Å; V315-P318 WeakPolarHBondContact O-CG 3.4Å; V315-L319 HydrophobicContact CG2-CD1 4.28Å; V315-L319 WeakPolarHBondContact O-CD1 3.31Å; V315-L319 WeakPolarHBondContact O-CG 3.25Å
316	M	92.8	Very high	93.6	Very high	98 Å²	98	59.6 Å²	59.6	48%	0.483	31%	0.309	S	S	.	.	H	α-helix	trans	-70.3	-25.3	-178.2	-65.2	-53.6	-57.2	0	0	112.8	T313 L314 L319 Q320	T313-M316 PolarHBondContact O-N 3.15Å; L314-M316 PolarHBondContact O-N 3.23Å; M316-L319 HydrophobicContact SD-CD1 3.99Å; M316-Q320 WeakPolarHBondContact O-CB 3.46Å; M316-Q320 WeakPolarHBondContact O-CG 3.4Å; M316-Q320 PolarHBondContact O-N 3.3Å; M316-Q320 PolarHBondContact O-NE2 3Å
317	D	89	Confident	93.6	Very high	65 Å²	65	65.5 Å²	65.5	35%	0.348	33%	0.326	S	S	.	.	H	α-helix	trans	-64.9	-57.6	-179.5	-70	-13.3	0	0	0	112.2	L314 V315 L319 Q320 T321 C354	L314-D317 PolarHBondContact O-N 3.26Å; V315-D317 VanDerWaalsContact C-N 3.27Å; V315-D317 PolarHBondContact O-N 3.02Å; D317-L319 VanDerWaalsContact C-N 3.27Å; D317-L319 PolarHBondContact O-N 3.34Å; D317-Q320 PolarHBondContact O-N 2.96Å; D317-T321 WeakPolarHBondContact O-CB 3.17Å; D317-T321 PolarHBondContact O-N 3.46Å; D317-T321 PolarHBondContact O-OG1 3.02Å; D317-T321 VanDerWaalsContact O-OG1 3.06Å; D317-C354 HydrophobicContact CB-CB 4.02Å; D317-C354 WeakPolarHBondContact OD2-CB 3.45Å
318	P	91.3	Very high	93.4	Very high	7 Å²	7	69.5 Å²	69.5	5%	0.045	34%	0.344	C	S	.	.	H	α-helix	trans	-66.3	-29.3	179	29.3	-38.7	0	0	0	112.6	D248 I249 L252 L314 V315 A322	D248-P318 HydrophobicContact CB-CB 4.02Å; I249-P318 HydrophobicContact CG1-CB 3.88Å; I249-P318 HydrophobicContact CG1-CG 4.46Å; I249-P318 WeakPolarHBondContact CG1-O 3.45Å; L252-P318 HydrophobicContact CB-CG 3.91Å; L252-P318 HydrophobicContact CD2-CG 3.69Å; L252-P318 HydrophobicContact CG-CG 4.42Å; L314-P318 VanDerWaalsContact O-CD 3.25Å; L314-P318 WeakPolarHBondContact O-CD 3.27Å; V315-P318 VanDerWaalsContact O-CD 3.27Å; V315-P318 WeakPolarHBondContact O-CD 3.27Å; V315-P318 WeakPolarHBondContact O-CG 3.4Å; P318-A322 VanDerWaalsContact O-CB 3.32Å; P318-A322 WeakPolarHBondContact O-CB 3.18Å; P318-A322 PolarHBondContact O-N 3.29Å
319	L	92.8	Very high	93.2	Very high	71 Å²	71	71.7 Å²	71.7	37%	0.372	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-49.9	175.1	-76.7	171.3	0	0	0	111.3	I249 V315 M316 D317 S323	I249-L319 HydrophobicContact CD1-CD2 4.05Å; I249-L319 HydrophobicContact CG1-CD2 4.23Å; I249-L319 HydrophobicContact CG2-CD2 3.73Å; I249-L319 HydrophobicContact CG2-CG 4.39Å; V315-L319 HydrophobicContact CG2-CD1 4.28Å; V315-L319 WeakPolarHBondContact O-CD1 3.31Å; V315-L319 WeakPolarHBondContact O-CG 3.25Å; M316-L319 HydrophobicContact SD-CD1 3.99Å; D317-L319 VanDerWaalsContact C-N 3.27Å; D317-L319 PolarHBondContact O-N 3.34Å; L319-S323 WeakPolarHBondContact O-CB 3.45Å; L319-S323 PolarHBondContact O-N 3.4Å
320	Q	91.9	Very high	92.6	Very high	111 Å²	111	66.9 Å²	66.9	52%	0.519	34%	0.337	S	S	.	.	H	α-helix	trans	-67	-48.2	177.7	-72.8	170.7	91.8	0	0	110.9	M316 D317 A322 S323 V324	M316-Q320 WeakPolarHBondContact O-CB 3.46Å; M316-Q320 WeakPolarHBondContact O-CG 3.4Å; M316-Q320 PolarHBondContact O-N 3.3Å; M316-Q320 PolarHBondContact O-NE2 3Å; D317-Q320 PolarHBondContact O-N 2.96Å; Q320-A322 PolarHBondContact O-N 3.11Å; Q320-S323 PolarHBondContact O-N 3.27Å; Q320-S323 VanDerWaalsContact O-N 3.14Å; Q320-S323 PolarHBondContact O-OG 3.31Å; Q320-V324 PolarHBondContact O-N 3.06Å
321	T	88.3	Confident	92.1	Very high	21 Å²	21	69.3 Å²	69.3	13%	0.129	35%	0.352	C	S	.	.	H	α-helix	trans	-58.7	-46.7	-177.2	-68.2	0	0	0	0	112.7	D317 S323 V324 D333	D317-T321 WeakPolarHBondContact O-CB 3.17Å; D317-T321 PolarHBondContact O-N 3.46Å; D317-T321 PolarHBondContact O-OG1 3.02Å; D317-T321 VanDerWaalsContact O-OG1 3.06Å; T321-S323 VanDerWaalsContact C-N 3.29Å; T321-S323 PolarHBondContact O-N 3.2Å; T321-V324 PolarHBondContact O-N 3.22Å; T321-D333 HydrophobicContact CG2-CB 3.44Å; T321-D333 VanDerWaalsContact CG2-CB 3.44Å
322	A	91.2	Very high	91.3	Very high	27 Å²	27	71.4 Å²	71.4	22%	0.223	36%	0.363	C	S	.	.	H	α-helix	trans	-68.5	-30.1	179.8	0	0	0	0	0	112.6	R245 I249 P318 Q320 V324	R245-A322 HydrophobicContact CB-CB 3.97Å; I249-A322 HydrophobicContact CD1-CB 3.61Å; I249-A322 HydrophobicContact CG1-CB 4.33Å; P318-A322 VanDerWaalsContact O-CB 3.32Å; P318-A322 WeakPolarHBondContact O-CB 3.18Å; P318-A322 PolarHBondContact O-N 3.29Å; Q320-A322 PolarHBondContact O-N 3.11Å; A322-V324 VanDerWaalsContact C-N 3.27Å; A322-V324 PolarHBondContact O-N 3.06Å
323	S	94.1	Very high	90.1	Very high	93 Å²	93	68.7 Å²	68.7	65%	0.65	35%	0.349	S	S	*	.	H	α-helix	trans	-69.4	-23.6	-178.2	75.9	0	0	0	0	114.1	L319 Q320 T321	L319-S323 WeakPolarHBondContact O-CB 3.45Å; L319-S323 PolarHBondContact O-N 3.4Å; Q320-S323 PolarHBondContact O-N 3.27Å; Q320-S323 VanDerWaalsContact O-N 3.14Å; Q320-S323 PolarHBondContact O-OG 3.31Å; T321-S323 VanDerWaalsContact C-N 3.29Å; T321-S323 PolarHBondContact O-N 3.2Å
324	V	92.2	Very high	88.5	Confident	57 Å²	57	65.2 Å²	65.2	35%	0.345	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	9.1	-176.1	-58.7	0	0	0	0	113.5	Q320 T321 A322 W326	Q320-V324 PolarHBondContact O-N 3.06Å; T321-V324 PolarHBondContact O-N 3.22Å; A322-V324 VanDerWaalsContact C-N 3.27Å; A322-V324 PolarHBondContact O-N 3.06Å; V324-W326 PolarHBondContact O-N 3.19Å; V324-W326 PolarHBondContact O-NE1 2.76Å; V324-W326 VanDerWaalsContact O-NE1 3.16Å
325	Q	89.1	Confident	87	Confident	43 Å²	43	67 Å²	67	20%	0.201	35%	0.345	C	S	.	.			trans	-65.4	117.6	171.6	-85.1	-67.7	-58.9	0	0	110.3	R245 T330	R245-Q325 HydrophobicContact CG-CG 4.31Å; Q325-T330 PolarHBondContact NE2-O 3.37Å; Q325-T330 PolarHBondContact NE2-OG1 3.13Å; Q325-T330 VanDerWaalsContact NE2-OG1 3.17Å; Q325-T330 VanDerWaalsContact OE1-N 3.08Å
326	W	92	Very high	84.6	Confident	179 Å²	179	68.5 Å²	68.5	68%	0.678	35%	0.353	S	S	*	.			trans	-92.5	129.7	178.9	-50.5	-27.2	0	0	0	111.3	V324 E328 R329 T330	V324-W326 PolarHBondContact O-N 3.19Å; V324-W326 PolarHBondContact O-NE1 2.76Å; V324-W326 VanDerWaalsContact O-NE1 3.16Å; W326-E328 PolarHBondContact O-N 3.36Å; W326-R329 CarbonylContact O-C 3.58Å; W326-R329 PolarHBondContact O-N 2.91Å; W326-T330 HydrophobicContact CB-CG2 3.6Å; W326-T330 HydrophobicContact CD2-CG2 3.88Å; W326-T330 HydrophobicContact CE3-CG2 3.64Å; W326-T330 HydrophobicContact CG-CG2 3.91Å; W326-T330 PolarHBondContact N-OG1 3.15Å
327	F	96.6	Very high	81.8	Confident	196 Å²	196	74.3 Å²	74.3	86%	0.86	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	-127.6	175.6	-56.9	-76.8	0	0	0	112.6
328	E	93.7	Very high	79.1	Confident	104 Å²	104	73.8 Å²	73.8	49%	0.486	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-21.8	-175.1	-70	67.2	-138.1	0	0	114.4	Q241 W326	Q241-E328 PolarHBondContact N-O 3.36Å; W326-E328 PolarHBondContact O-N 3.36Å
329	R	92.6	Very high	76.1	Confident	47 Å²	47	80.5 Å²	80.5	18%	0.177	41%	0.411	C	S	.	.			trans	173	145.4	169.4	170	177.6	177.2	63.1	-1.4	111.8	Q241 T242 R245 W326 D333	Q241-R329 HydrophobicContact CB-CB 3.75Å; Q241-R329 HydrophobicContact CB-CG 4.45Å; T242-R329 HydrophobicContact CG2-CG 4.48Å; R245-R329 VanDerWaalsContact NH2-NH1 3.2Å; W326-R329 CarbonylContact O-C 3.58Å; W326-R329 PolarHBondContact O-N 2.91Å; R329-D333 IonicContact CZ-OD1 3.6Å; R329-D333 VanDerWaalsContact CZ-OD1 3.28Å; R329-D333 IonicContact CZ-OD2 3.32Å; R329-D333 IonicContact NH1-OD1 2.86Å; R329-D333 PolarHBondContact NH1-OD1 3.03Å; R329-D333 IonicContact NH1-OD2 3.18Å; R329-D333 PolarHBondContact NH1-OD2 2.94Å; R329-D333 IonicContact NH2-OD1 2.87Å; R329-D333 PolarHBondContact NH2-OD1 3.27Å; R329-D333 IonicContact NH2-OD2 2.63Å
330	T	84.8	Confident	73.1	Confident	26 Å²	26	80.7 Å²	80.7	16%	0.16	42%	0.422	C	S	.	.			trans	-119.4	145.1	158.4	46.6	0	0	0	0	110.7	Q325 W326 D332	Q325-T330 PolarHBondContact NE2-O 3.37Å; Q325-T330 PolarHBondContact NE2-OG1 3.13Å; Q325-T330 VanDerWaalsContact NE2-OG1 3.17Å; Q325-T330 VanDerWaalsContact OE1-N 3.08Å; W326-T330 HydrophobicContact CB-CG2 3.6Å; W326-T330 HydrophobicContact CD2-CG2 3.88Å; W326-T330 HydrophobicContact CE3-CG2 3.64Å; W326-T330 HydrophobicContact CG-CG2 3.91Å; W326-T330 PolarHBondContact N-OG1 3.15Å; T330-D332 WeakPolarHBondContact CB-OD1 3.49Å; T330-D332 PolarHBondContact O-N 3Å; T330-D332 PolarHBondContact OG1-OD1 3.43Å
331	L	85.6	Confident	70.2	Confident	121 Å²	121	85.1 Å²	85.1	63%	0.634	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-2.1	-172.7	-159.2	70.9	0	0	0	113.6	D333 S334	L331-D333 PolarHBondContact O-N 2.93Å; L331-S334 WeakPolarHBondContact O-CB 3.24Å; L331-S334 PolarHBondContact O-N 2.88Å
332	D	79.2	Confident	67.4	Low	45 Å²	45	86.7 Å²	86.7	24%	0.241	46%	0.464	C	S	.	.	H	α-helix	trans	-66.1	-20.8	177.3	68.8	-54.1	0	0	0	112	T330 S334 A335 N336	T330-D332 WeakPolarHBondContact CB-OD1 3.49Å; T330-D332 PolarHBondContact O-N 3Å; T330-D332 PolarHBondContact OG1-OD1 3.43Å; D332-S334 PolarHBondContact O-N 2.93Å; D332-A335 PolarHBondContact O-N 3.34Å; D332-N336 WeakPolarHBondContact CB-ND2 3.31Å; D332-N336 WeakPolarHBondContact O-CB 3.29Å; D332-N336 PolarHBondContact O-N 3.14Å; D332-N336 PolarHBondContact O-ND2 3.04Å; D332-N336 PolarHBondContact OD2-ND2 3.33Å
333	D	71.4	Confident	64.7	Low	4 Å²	4	94 Å²	94	2%	0.021	49%	0.493	C	S	.	.	H	α-helix	trans	-66.7	-24.8	168.5	73.3	-35.7	0	0	0	113.6	R245 T321 R329 L331 A335 R351	R245-D333 IonicContact CZ-OD2 3.45Å; R245-D333 IonicContact NE-OD2 2.93Å; R245-D333 PolarHBondContact NE-OD2 3.42Å; R245-D333 IonicContact NH2-OD2 3.11Å; R245-D333 PolarHBondContact NH2-OD2 3.47Å; T321-D333 HydrophobicContact CG2-CB 3.44Å; T321-D333 VanDerWaalsContact CG2-CB 3.44Å; R329-D333 IonicContact CZ-OD1 3.6Å; R329-D333 VanDerWaalsContact CZ-OD1 3.28Å; R329-D333 IonicContact CZ-OD2 3.32Å; R329-D333 IonicContact NH1-OD1 2.86Å; R329-D333 PolarHBondContact NH1-OD1 3.03Å; R329-D333 IonicContact NH1-OD2 3.18Å; R329-D333 PolarHBondContact NH1-OD2 2.94Å; R329-D333 IonicContact NH2-OD1 2.87Å; R329-D333 PolarHBondContact NH2-OD1 3.27Å; R329-D333 IonicContact NH2-OD2 2.63Å; L331-D333 PolarHBondContact O-N 2.93Å; D333-A335 VanDerWaalsContact C-N 3.26Å; D333-R351 WeakPolarHBondContact O-CB 3.47Å
334	S	62.7	Low	61.9	Low	16 Å²	16	98 Å²	98	11%	0.112	50%	0.501	C	S	.	.	H	α-helix	trans	-71.1	-27.2	176.2	-166.4	0	0	0	0	110.7	L331 D332 E349 W350 R351	L331-S334 WeakPolarHBondContact O-CB 3.24Å; L331-S334 PolarHBondContact O-N 2.88Å; D332-S334 PolarHBondContact O-N 2.93Å; S334-E349 CarbonylContact O-C 3.47Å; S334-E349 VanDerWaalsContact O-C 3.23Å; S334-E349 WeakPolarHBondContact O-CA 3.2Å; S334-W350 PolarHBondContact O-N 3.02Å; S334-R351 PolarHBondContact O-N 2.99Å
335	A	61	Low	59.2	Low	49 Å²	49	100.1 Å²	100.1	41%	0.405	51%	0.509	S	S	.	.	H	α-helix	trans	-129.6	-18.3	-165.1	0	0	0	0	0	117.6	D332 D333 R337 W350	D332-A335 PolarHBondContact O-N 3.34Å; D333-A335 VanDerWaalsContact C-N 3.26Å; A335-R337 PolarHBondContact O-N 3.09Å; A335-W350 WeakPolarHBondContact O-CB 3.28Å
336	N	43.4	Very low	56.7	Low	59 Å²	59	105.7 Å²	105.7	32%	0.316	54%	0.535	S	S	.	.			trans	-63.9	126.5	-169	-84.1	-19.5	0	0	0	112.3	D332	D332-N336 WeakPolarHBondContact CB-ND2 3.31Å; D332-N336 WeakPolarHBondContact O-CB 3.29Å; D332-N336 PolarHBondContact O-N 3.14Å; D332-N336 PolarHBondContact O-ND2 3.04Å; D332-N336 PolarHBondContact OD2-ND2 3.33Å
337	R	34.7	Very low	54	Low	220 Å²	220	103.6 Å²	103.6	83%	0.83	53%	0.533	S	S	*	.			cis	-165	113.1	-1.5	-148.2	-177.9	-157.3	172.4	6	108	A335	A335-R337 PolarHBondContact O-N 3.09Å
338	S	31.7	Very low	51.1	Low	54 Å²	54	98.3 Å²	98.3	38%	0.378	52%	0.517	S	S	.	.			trans	-82.2	116.9	173.1	170.2	0	0	0	0	111.1	A340	S338-A340 PolarHBondContact OG-N 3.31Å; S338-A340 VanDerWaalsContact OG-N 3.08Å; S338-A340 PolarHBondContact OG-O 3.33Å
339	V	28.9	Very low	48.7	Very low	148 Å²	148	96.2 Å²	96.2	90%	0.897	51%	0.507	S	S	*	.			trans	-111.2	68	147	-171.4	0	0	0	0	106.6
340	A	29.8	Very low	46.3	Very low	74 Å²	74	97.7 Å²	97.7	61%	0.612	51%	0.512	S	S	*	.	S	Bend	trans	-128.2	115.4	159.9	0	0	0	0	0	107.7	S338	S338-A340 PolarHBondContact OG-N 3.31Å; S338-A340 VanDerWaalsContact OG-N 3.08Å; S338-A340 PolarHBondContact OG-O 3.33Å
341	Q	30.5	Very low	44.4	Very low	204 Å²	204	97.7 Å²	97.7	95%	0.953	51%	0.509	S	S	*	.			trans	-46.1	131.5	-177.9	-66.6	175.7	-20.9	0	0	112.9
342	G	29.9	Very low	43	Very low	55 Å²	55	94.8 Å²	94.8	57%	0.567	49%	0.49	S	S	*	.			trans	157	107.8	167.6	0	0	0	0	0	112.5
343	H	34.9	Very low	42.7	Very low	179 Å²	179	95 Å²	95	83%	0.829	49%	0.491	S	S	*	.	S	Bend	trans	-59.3	143.8	-179	-73.4	74.4	0	0	0	112.5
344	H	34.4	Very low	43.4	Very low	179 Å²	179	95.6 Å²	95.6	83%	0.829	50%	0.495	S	S	*	.			trans	78.5	76.3	173.7	-52	-66.5	0	0	0	116.6
345	I	36.4	Very low	44.7	Very low	100 Å²	100	95.3 Å²	95.3	51%	0.513	49%	0.492	S	S	.	.			trans	-114	112.4	164.8	-38.4	-179.7	0	0	0	107.1	W350	I345-W350 HydrophobicContact CD1-CH2 4.21Å; I345-W350 HydrophobicContact CD1-CZ2 3.81Å; I345-W350 HydrophobicContact CG2-CZ2 4.29Å
346	H	36.8	Very low	46.2	Very low	160 Å²	160	93.6 Å²	93.6	74%	0.741	48%	0.478	S	S	*	.			trans	-54	154.7	164.2	-73.6	-83.1	0	0	0	109.3	V348	H346-V348 VanDerWaalsContact C-N 3.34Å; H346-V348 WeakPolarHBondContact O-CG2 3.33Å; H346-V348 PolarHBondContact O-N 3.07Å
347	Q	34.1	Very low	48.6	Very low	136 Å²	136	92.8 Å²	92.8	64%	0.636	47%	0.473	S	S	*	.	S	Bend	trans	-53.2	94	178	-73.1	175.1	-32.1	0	0	110.3
348	V	37	Very low	51.5	Low	85 Å²	85	82.4 Å²	82.4	52%	0.515	43%	0.433	S	S	.	.			trans	-117.1	122.4	176.1	176	0	0	0	0	105.7	H346 W350	H346-V348 VanDerWaalsContact C-N 3.34Å; H346-V348 WeakPolarHBondContact O-CG2 3.33Å; H346-V348 PolarHBondContact O-N 3.07Å; V348-W350 PolarHBondContact O-N 3.38Å; V348-W350 PolarHBondContact O-NE1 3.49Å; V348-W350 VanDerWaalsContact O-NE1 3.15Å
349	E	41.9	Very low	54.7	Low	59 Å²	59	79.8 Å²	79.8	28%	0.276	42%	0.415	S	S	.	.			trans	-69.1	111.8	-175.4	-52	175.6	123.1	0	0	110.7	K35 S334 R352	K35-E349 IonicContact NZ-OE2 3.08Å; K35-E349 PolarHBondContact NZ-OE2 3.38Å; S334-E349 CarbonylContact O-C 3.47Å; S334-E349 VanDerWaalsContact O-C 3.23Å; S334-E349 WeakPolarHBondContact O-CA 3.2Å; E349-R352 WeakPolarHBondContact O-CB 3.16Å; E349-R352 WeakPolarHBondContact O-CD 3.38Å; E349-R352 IonicContact OE2-CZ 2.66Å; E349-R352 IonicContact OE2-NE 3.65Å; E349-R352 PolarHBondContact OE2-NE 3.31Å; E349-R352 IonicContact OE2-NH2 3.85Å
350	W	43.2	Very low	57.9	Low	78 Å²	78	73.5 Å²	73.5	30%	0.295	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-12.4	-174.9	-62.6	72.9	0	0	0	115.4	S334 A335 I345 V348 R352 I353	S334-W350 PolarHBondContact O-N 3.02Å; A335-W350 WeakPolarHBondContact O-CB 3.28Å; I345-W350 HydrophobicContact CD1-CH2 4.21Å; I345-W350 HydrophobicContact CD1-CZ2 3.81Å; I345-W350 HydrophobicContact CG2-CZ2 4.29Å; V348-W350 PolarHBondContact O-N 3.38Å; V348-W350 PolarHBondContact O-NE1 3.49Å; V348-W350 VanDerWaalsContact O-NE1 3.15Å; W350-R352 PolarHBondContact O-N 2.97Å; W350-R352 VanDerWaalsContact O-N 3.1Å; W350-I353 HydrophobicContact CB-CD1 4.03Å; W350-I353 HydrophobicContact CD2-CD1 3.36Å; W350-I353 HydrophobicContact CE3-CD1 2.95Å; W350-I353 HydrophobicContact CE3-CG1 4.32Å; W350-I353 HydrophobicContact CG-CD1 3.89Å; W350-I353 HydrophobicContact CH2-CD1 4.09Å; W350-I353 HydrophobicContact CZ2-CD1 4.48Å; W350-I353 HydrophobicContact CZ3-CD1 3.33Å; W350-I353 WeakPolarHBondContact O-CB 3.37Å; W350-I353 PolarHBondContact O-N 2.8Å
351	R	44.5	Very low	61.1	Low	27 Å²	27	70 Å²	70	10%	0.102	35%	0.348	C	S	.	.	H	α-helix	trans	-53.7	-30	167.2	-172.2	159.2	147	-99.4	-13.3	112.1	D117 D120 Y243 D248 D333 S334 I353 L355	D117-R351 IonicContact OD1-NH1 3.27Å; D120-R351 IonicContact OD2-CZ 2.65Å; D120-R351 IonicContact OD2-NH1 3.5Å; D120-R351 PolarHBondContact OD2-NH1 3.45Å; D120-R351 IonicContact OD2-NH2 3.88Å; D120-R351 PolarHBondContact OD2-NH2 3.22Å; Y243-R351 VanDerWaalsContact CE1-NH2 3.31Å; Y243-R351 VanDerWaalsContact CZ-NH2 3.28Å; Y243-R351 PolarHBondContact OH-NH2 3.19Å; D248-R351 IonicContact OD2-NE 3.13Å; D248-R351 PolarHBondContact OD2-NE 2.86Å; D333-R351 WeakPolarHBondContact O-CB 3.47Å; S334-R351 PolarHBondContact O-N 2.99Å; R351-I353 VanDerWaalsContact C-N 3.26Å; R351-I353 PolarHBondContact O-N 3.23Å; R351-L355 HydrophobicContact CG-CD1 4.01Å; R351-L355 WeakPolarHBondContact O-CG 3.37Å
352	R	56.5	Low	64.3	Low	59 Å²	59	60.3 Å²	60.3	22%	0.223	30%	0.302	C	S	.	.	H	α-helix	trans	-70.5	-22.9	177.9	-63.1	164.9	170.5	-99.5	-46.5	112.5	D32 K35 E349 W350 A356	D32-R352 IonicContact OD1-NH1 2.78Å; D32-R352 PolarHBondContact OD1-NH1 3.28Å; K35-R352 VanDerWaalsContact CD-NH1 3.33Å; K35-R352 VanDerWaalsContact CE-CZ 3.44Å; E349-R352 WeakPolarHBondContact O-CB 3.16Å; E349-R352 WeakPolarHBondContact O-CD 3.38Å; E349-R352 IonicContact OE2-CZ 2.66Å; E349-R352 IonicContact OE2-NE 3.65Å; E349-R352 PolarHBondContact OE2-NE 3.31Å; E349-R352 IonicContact OE2-NH2 3.85Å; W350-R352 PolarHBondContact O-N 2.97Å; W350-R352 VanDerWaalsContact O-N 3.1Å; R352-A356 WeakPolarHBondContact O-CA 3.08Å; R352-A356 WeakPolarHBondContact O-CB 3.46Å; R352-A356 PolarHBondContact O-N 2.95Å
353	I	71.9	Confident	67.6	Low	51 Å²	51	57.7 Å²	57.7	26%	0.262	28%	0.275	S	S	.	.	H	α-helix	trans	-76.2	-59.5	-175.1	-66.9	165.9	0	0	0	109.3	W350 R351 L355 A356 E357	W350-I353 HydrophobicContact CB-CD1 4.03Å; W350-I353 HydrophobicContact CD2-CD1 3.36Å; W350-I353 HydrophobicContact CE3-CD1 2.95Å; W350-I353 HydrophobicContact CE3-CG1 4.32Å; W350-I353 HydrophobicContact CG-CD1 3.89Å; W350-I353 HydrophobicContact CH2-CD1 4.09Å; W350-I353 HydrophobicContact CZ2-CD1 4.48Å; W350-I353 HydrophobicContact CZ3-CD1 3.33Å; W350-I353 WeakPolarHBondContact O-CB 3.37Å; W350-I353 PolarHBondContact O-N 2.8Å; R351-I353 VanDerWaalsContact C-N 3.26Å; R351-I353 PolarHBondContact O-N 3.23Å; I353-L355 VanDerWaalsContact C-N 3.3Å; I353-L355 PolarHBondContact O-N 2.79Å; I353-A356 PolarHBondContact O-N 2.87Å; I353-E357 HydrophobicContact CG2-CG 3.94Å; I353-E357 WeakPolarHBondContact O-CA 3.34Å; I353-E357 WeakPolarHBondContact O-CB 3.23Å; I353-E357 WeakPolarHBondContact O-CG 3.39Å; I353-E357 PolarHBondContact O-N 3.09Å
354	C	86.5	Confident	70.6	Confident	16 Å²	16	49.2 Å²	49.2	11%	0.108	24%	0.236	C	C	.	.	H	α-helix	trans	-62.3	-38.7	-178.1	68	0	0	0	0	112.2	L252 L314 D317 A358	L252-C354 HydrophobicContact CD2-CB 4.31Å; L314-C354 HydrophobicContact CD2-CB 4.24Å; D317-C354 HydrophobicContact CB-CB 4.02Å; D317-C354 WeakPolarHBondContact OD2-CB 3.45Å; C354-A358 WeakPolarHBondContact O-CB 3.29Å; C354-A358 PolarHBondContact O-N 2.82Å
355	L	90.4	Very high	73.6	Confident	9 Å²	9	40.7 Å²	40.7	5%	0.047	20%	0.197	C	C	.	.	H	α-helix	trans	-65.8	-57.3	175.5	-63.3	-178.8	0	0	0	111.2	L124 D248 L252 R351 I353 E357 A358 F359	L124-L355 HydrophobicContact CD2-CD1 4.42Å; L124-L355 HydrophobicContact CD2-CD2 4.37Å; D248-L355 HydrophobicContact CB-CD2 4.37Å; L252-L355 HydrophobicContact CD1-CD2 3.46Å; L252-L355 VanDerWaalsContact CD1-CD2 3.46Å; L252-L355 HydrophobicContact CD2-CD2 4.3Å; R351-L355 HydrophobicContact CG-CD1 4.01Å; R351-L355 WeakPolarHBondContact O-CG 3.37Å; I353-L355 VanDerWaalsContact C-N 3.3Å; I353-L355 PolarHBondContact O-N 2.79Å; L355-E357 PolarHBondContact O-N 2.84Å; L355-A358 PolarHBondContact O-N 2.8Å; L355-F359 VanDerWaalsContact O-CD2 3.27Å; L355-F359 WeakPolarHBondContact O-CD2 3.3Å; L355-F359 PolarHBondContact O-N 3.28Å; L355-F359 VanDerWaalsContact O-N 3.14Å
356	A	92.4	Very high	76.5	Confident	14 Å²	14	36 Å²	36	12%	0.116	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-45.4	-178	0	0	0	0	0	111.6	F30 R352 I353 A358 F359 L360	F30-A356 HydrophobicContact CB-CB 4.02Å; F30-A356 HydrophobicContact CD1-CB 3.36Å; F30-A356 HydrophobicContact CD2-CB 4.3Å; F30-A356 HydrophobicContact CE1-CB 3.83Å; F30-A356 HydrophobicContact CG-CB 3.63Å; F30-A356 HydrophobicContact CZ-CB 4.48Å; R352-A356 WeakPolarHBondContact O-CA 3.08Å; R352-A356 WeakPolarHBondContact O-CB 3.46Å; R352-A356 PolarHBondContact O-N 2.95Å; I353-A356 PolarHBondContact O-N 2.87Å; A356-A358 VanDerWaalsContact C-N 3.31Å; A356-A358 PolarHBondContact O-N 2.73Å; A356-F359 PolarHBondContact O-N 3.4Å; A356-L360 HydrophobicContact CB-CD1 4.32Å; A356-L360 VanDerWaalsContact O-CB 3.31Å; A356-L360 WeakPolarHBondContact O-CB 3.19Å; A356-L360 WeakPolarHBondContact O-CD1 3.5Å; A356-L360 WeakPolarHBondContact O-CG 3.45Å; A356-L360 PolarHBondContact O-N 3.42Å
357	E	93.7	Very high	79.4	Confident	42 Å²	42	29.7 Å²	29.7	20%	0.196	14%	0.144	C	C	.	.	H	α-helix	trans	-61.2	-39.8	178.3	-68.5	-165	171.3	0	0	111.7	L17 H310 L314 I353 L355 T361	L17-E357 HydrophobicContact CD1-CB 3.78Å; L17-E357 HydrophobicContact CD1-CG 3.68Å; H310-E357 IonicContact CE1-OE2 3.61Å; H310-E357 IonicContact NE2-OE2 3.06Å; H310-E357 PolarHBondContact NE2-OE2 2.87Å; L314-E357 HydrophobicContact CD1-CB 4.11Å; I353-E357 HydrophobicContact CG2-CG 3.94Å; I353-E357 WeakPolarHBondContact O-CA 3.34Å; I353-E357 WeakPolarHBondContact O-CB 3.23Å; I353-E357 WeakPolarHBondContact O-CG 3.39Å; I353-E357 PolarHBondContact O-N 3.09Å; L355-E357 PolarHBondContact O-N 2.84Å; E357-T361 WeakPolarHBondContact O-CB 3.47Å; E357-T361 PolarHBondContact O-N 3.28Å; E357-T361 PolarHBondContact O-OG1 3.38Å
358	A	96.4	Very high	82.3	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-60.7	-47.9	176.1	0	0	0	0	0	111.2	L252 L255 L311 L314 C354 L355 A356 T361 A362	L252-A358 HydrophobicContact CD1-CB 4.16Å; L252-A358 HydrophobicContact CG-CB 4.08Å; L255-A358 HydrophobicContact CD1-CB 3.94Å; L311-A358 HydrophobicContact CD1-CB 3.76Å; L311-A358 VanDerWaalsContact CD1-O 3.23Å; L311-A358 WeakPolarHBondContact CD1-O 3.46Å; L314-A358 HydrophobicContact CD1-CB 3.99Å; C354-A358 WeakPolarHBondContact O-CB 3.29Å; C354-A358 PolarHBondContact O-N 2.82Å; L355-A358 PolarHBondContact O-N 2.8Å; A356-A358 VanDerWaalsContact C-N 3.31Å; A356-A358 PolarHBondContact O-N 2.73Å; A358-T361 PolarHBondContact O-N 3.47Å; A358-A362 VanDerWaalsContact O-CB 3.25Å; A358-A362 WeakPolarHBondContact O-CB 3.35Å; A358-A362 PolarHBondContact O-N 3.21Å
359	F	97.8	Very high	85.2	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-68.8	-42	179.2	-81.2	-81.4	0	0	0	113.1	M26 F30 L124 A127 L128 L131 V251 L255 L355 A356 T361 A362 D363	M26-F359 HydrophobicContact SD-CB 4.01Å; F30-F359 HydrophobicContact CE2-CB 3.47Å; F30-F359 VanDerWaalsContact CE2-CB 3.47Å; F30-F359 HydrophobicContact CE2-CD2 4.27Å; F30-F359 AromaticContact CE2-CG 3.99Å; F30-F359 HydrophobicContact CE2-CG 3.99Å; F30-F359 HydrophobicContact CZ-CB 3.74Å; F30-F359 AromaticContact CZ-CD2 3.66Å; F30-F359 HydrophobicContact CZ-CD2 3.66Å; F30-F359 AromaticContact CZ-CG 3.85Å; F30-F359 HydrophobicContact CZ-CG 3.85Å; L124-F359 HydrophobicContact CD2-CD2 4.27Å; L124-F359 HydrophobicContact CD2-CE2 3.4Å; L124-F359 HydrophobicContact CD2-CZ 4Å; A127-F359 HydrophobicContact CB-CB 4.33Å; A127-F359 HydrophobicContact CB-CD1 3.33Å; A127-F359 HydrophobicContact CB-CD2 4.31Å; A127-F359 HydrophobicContact CB-CE1 3.57Å; A127-F359 HydrophobicContact CB-CG 3.74Å; A127-F359 HydrophobicContact CB-CZ 4.18Å; L128-F359 HydrophobicContact CD2-CE1 3.93Å; L128-F359 HydrophobicContact CD2-CZ 4.17Å; L128-F359 HydrophobicContact CG-CE1 3.89Å; L128-F359 HydrophobicContact CG-CZ 4.02Å; L131-F359 HydrophobicContact CD1-CD1 3.56Å; L131-F359 HydrophobicContact CD1-CE1 3.86Å; L131-F359 HydrophobicContact CG-CD1 4.25Å; V251-F359 HydrophobicContact CG1-CE2 3.71Å; V251-F359 HydrophobicContact CG1-CZ 3.52Å; L255-F359 HydrophobicContact CD1-CD1 4.32Å; L255-F359 HydrophobicContact CD1-CD2 4.22Å; L255-F359 HydrophobicContact CD1-CE1 4.22Å; L255-F359 HydrophobicContact CD1-CE2 4.08Å; L255-F359 HydrophobicContact CD1-CG 4.34Å; L255-F359 HydrophobicContact CD1-CZ 4.1Å; L355-F359 VanDerWaalsContact O-CD2 3.27Å; L355-F359 WeakPolarHBondContact O-CD2 3.3Å; L355-F359 PolarHBondContact O-N 3.28Å; L355-F359 VanDerWaalsContact O-N 3.14Å; A356-F359 PolarHBondContact O-N 3.4Å; F359-T361 VanDerWaalsContact C-N 3.32Å; F359-T361 PolarHBondContact O-N 3.19Å; F359-A362 PolarHBondContact O-N 3.31Å; F359-D363 WeakPolarHBondContact O-CB 3.5Å; F359-D363 PolarHBondContact O-N 3.44Å
360	L	96.5	Very high	87.9	Confident	16 Å²	16	16.7 Å²	16.7	8%	0.084	8%	0.078	C	C	.	.	H	α-helix	trans	-64	-38.2	175.9	-67.6	166.7	0	0	0	111.6	L17 A22 M26 A356 T364	L17-L360 HydrophobicContact CB-CB 4.14Å; L17-L360 HydrophobicContact CB-CD1 4.25Å; L17-L360 HydrophobicContact CD1-CB 4.39Å; A22-L360 HydrophobicContact CB-CB 3.9Å; A22-L360 HydrophobicContact CB-CD2 3.39Å; A22-L360 HydrophobicContact CB-CG 4.24Å; M26-L360 HydrophobicContact CB-CD2 4.18Å; M26-L360 HydrophobicContact CG-CD2 3.74Å; M26-L360 HydrophobicContact CG-CG 4.39Å; A356-L360 HydrophobicContact CB-CD1 4.32Å; A356-L360 VanDerWaalsContact O-CB 3.31Å; A356-L360 WeakPolarHBondContact O-CB 3.19Å; A356-L360 WeakPolarHBondContact O-CD1 3.5Å; A356-L360 WeakPolarHBondContact O-CG 3.45Å; A356-L360 PolarHBondContact O-N 3.42Å; L360-T364 PolarHBondContact O-N 3.12Å; L360-T364 VanDerWaalsContact O-N 3.07Å; L360-T364 PolarHBondContact O-OG1 2.84Å
361	T	97.7	Very high	90.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-67.6	-48.8	175.6	-59.8	0	0	0	0	110.4	L307 L311 E357 A358 F359 D363 T364 I365	L307-T361 HydrophobicContact CB-CG2 3.89Å; L307-T361 HydrophobicContact CD2-CG2 4.47Å; L307-T361 WeakPolarHBondContact O-CG2 3.32Å; L311-T361 HydrophobicContact CB-CG2 4.01Å; L311-T361 HydrophobicContact CD1-CG2 4.45Å; E357-T361 WeakPolarHBondContact O-CB 3.47Å; E357-T361 PolarHBondContact O-N 3.28Å; E357-T361 PolarHBondContact O-OG1 3.38Å; A358-T361 PolarHBondContact O-N 3.47Å; F359-T361 VanDerWaalsContact C-N 3.32Å; F359-T361 PolarHBondContact O-N 3.19Å; T361-D363 VanDerWaalsContact C-N 3.3Å; T361-D363 PolarHBondContact O-N 2.99Å; T361-T364 PolarHBondContact O-N 3.37Å; T361-I365 WeakPolarHBondContact O-CG1 3.4Å; T361-I365 PolarHBondContact O-N 2.91Å
362	A	98.4	Very high	92.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.7	-42.8	175.7	0	0	0	0	0	111.8	L131 L255 L311 A358 F359 T364 I365 L366	L131-A362 HydrophobicContact CD1-CB 3.78Å; L131-A362 HydrophobicContact CD2-CB 4.04Å; L255-A362 HydrophobicContact CD2-CB 4.11Å; L311-A362 HydrophobicContact CD2-CB 4.01Å; A358-A362 VanDerWaalsContact O-CB 3.25Å; A358-A362 WeakPolarHBondContact O-CB 3.35Å; A358-A362 PolarHBondContact O-N 3.21Å; F359-A362 PolarHBondContact O-N 3.31Å; A362-T364 PolarHBondContact O-N 3.12Å; A362-I365 WeakPolarHBondContact O-CG1 3.33Å; A362-I365 PolarHBondContact O-N 2.84Å; A362-L366 WeakPolarHBondContact O-CB 3.12Å; A362-L366 VanDerWaalsContact O-CG 3.28Å; A362-L366 WeakPolarHBondContact O-CG 3.5Å; A362-L366 PolarHBondContact O-N 3.38Å
363	D	98.3	Very high	94.7	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-59.4	-46.9	177	-170.9	72.5	0	0	0	112.1	S23 M26 L131 K134 F359 T361 L366 N367	S23-D363 WeakPolarHBondContact CB-OD2 3.06Å; S23-D363 PolarHBondContact N-OD2 3Å; S23-D363 VanDerWaalsContact OG-CG 3.26Å; S23-D363 PolarHBondContact OG-OD1 3.08Å; S23-D363 PolarHBondContact OG-OD2 3.32Å; M26-D363 HydrophobicContact CB-CB 4.18Å; M26-D363 HydrophobicContact CE-CB 4.07Å; M26-D363 HydrophobicContact CG-CB 3.99Å; L131-D363 HydrophobicContact CD2-CB 3.99Å; K134-D363 WeakPolarHBondContact CD-OD1 2.95Å; K134-D363 VanDerWaalsContact CE-OD1 3.32Å; K134-D363 WeakPolarHBondContact CE-OD1 3.35Å; K134-D363 VanDerWaalsContact NZ-CG 3.31Å; K134-D363 IonicContact NZ-OD1 2.76Å; K134-D363 PolarHBondContact NZ-OD1 2.67Å; K134-D363 IonicContact NZ-OD2 3.94Å; K134-D363 PolarHBondContact NZ-OD2 3.49Å; F359-D363 WeakPolarHBondContact O-CB 3.5Å; F359-D363 PolarHBondContact O-N 3.44Å; T361-D363 VanDerWaalsContact C-N 3.3Å; T361-D363 PolarHBondContact O-N 2.99Å; D363-L366 PolarHBondContact O-N 3.03Å; D363-N367 WeakPolarHBondContact O-CB 3.47Å; D363-N367 PolarHBondContact O-N 3.19Å; D363-N367 PolarHBondContact O-ND2 3Å; D363-N367 PolarHBondContact OD2-ND2 3.03Å
364	T	97.3	Very high	95.8	Very high	2 Å²	2	11 Å²	11	1%	0.012	6%	0.059	C	C	.	.	H	α-helix	trans	-64.3	-47.4	179.7	-55.7	0	0	0	0	111.7	Y21 A22 L307 L360 T361 A362 L366 N367 T368	Y21-T364 VanDerWaalsContact C-OG1 3.3Å; Y21-T364 WeakPolarHBondContact CB-OG1 3.44Å; Y21-T364 HydrophobicContact CD1-CG2 4.3Å; Y21-T364 HydrophobicContact CG-CG2 4.16Å; Y21-T364 PolarHBondContact O-OG1 3.28Å; A22-T364 WeakPolarHBondContact CA-OG1 3.46Å; A22-T364 PolarHBondContact N-OG1 3.01Å; L307-T364 HydrophobicContact CD1-CG2 3.49Å; L307-T364 VanDerWaalsContact CD1-CG2 3.49Å; L360-T364 PolarHBondContact O-N 3.12Å; L360-T364 VanDerWaalsContact O-N 3.07Å; L360-T364 PolarHBondContact O-OG1 2.84Å; T361-T364 PolarHBondContact O-N 3.37Å; A362-T364 PolarHBondContact O-N 3.12Å; T364-L366 VanDerWaalsContact C-N 3.31Å; T364-L366 PolarHBondContact O-N 3.24Å; T364-N367 PolarHBondContact O-N 2.7Å; T364-T368 WeakPolarHBondContact O-CB 3.24Å; T364-T368 PolarHBondContact O-N 3.27Å; T364-T368 PolarHBondContact O-OG1 2.63Å
365	I	97.7	Very high	96	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.8	-36.7	-178.2	62.7	178.8	0	0	0	111	V262 L307 L311 T361 A362 L369	V262-I365 HydrophobicContact CB-CD1 4.41Å; V262-I365 HydrophobicContact CG1-CB 4.32Å; V262-I365 HydrophobicContact CG1-CD1 4.5Å; V262-I365 HydrophobicContact CG2-CD1 4.17Å; L307-I365 HydrophobicContact CB-CG2 3.54Å; L307-I365 HydrophobicContact CD1-CG2 4.29Å; L311-I365 HydrophobicContact CD2-CD1 3.69Å; T361-I365 WeakPolarHBondContact O-CG1 3.4Å; T361-I365 PolarHBondContact O-N 2.91Å; A362-I365 WeakPolarHBondContact O-CG1 3.33Å; A362-I365 PolarHBondContact O-N 2.84Å; I365-L369 WeakPolarHBondContact O-CB 3.5Å; I365-L369 PolarHBondContact O-N 2.83Å
366	L	98.2	Very high	96.3	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-70	-42.8	177.2	-68.9	178.8	0	0	0	112.1	L131 K134 L135 V138 L258 A362 D363 T364 L369 Q370	L131-L366 HydrophobicContact CB-CD1 4.2Å; L131-L366 HydrophobicContact CD2-CD1 4.02Å; K134-L366 HydrophobicContact CB-CB 3.95Å; K134-L366 HydrophobicContact CB-CD1 4.04Å; L135-L366 HydrophobicContact CB-CD1 4.05Å; L135-L366 HydrophobicContact CB-CD2 4.15Å; L135-L366 HydrophobicContact CD1-CD2 3.88Å; V138-L366 HydrophobicContact CG2-CD2 4.47Å; L258-L366 HydrophobicContact CD1-CD2 4.29Å; L258-L366 HydrophobicContact CD2-CD1 4.38Å; L258-L366 HydrophobicContact CD2-CD2 4.29Å; L258-L366 HydrophobicContact CD2-CG 4.44Å; A362-L366 WeakPolarHBondContact O-CB 3.12Å; A362-L366 VanDerWaalsContact O-CG 3.28Å; A362-L366 WeakPolarHBondContact O-CG 3.5Å; A362-L366 PolarHBondContact O-N 3.38Å; D363-L366 PolarHBondContact O-N 3.03Å; T364-L366 VanDerWaalsContact C-N 3.31Å; T364-L366 PolarHBondContact O-N 3.24Å; L366-L369 PolarHBondContact O-N 3.4Å; L366-Q370 VanDerWaalsContact O-CB 3.31Å; L366-Q370 WeakPolarHBondContact O-CB 3.29Å; L366-Q370 PolarHBondContact O-N 3.08Å
367	N	96.6	Very high	96.4	Very high	29 Å²	29	14.2 Å²	14.2	16%	0.155	8%	0.081	C	C	.	.	H	α-helix	trans	-59.9	-46.8	173.7	-76.5	-23.2	0	0	0	111.2	K134 D363 T364 Q370 N371 A494	K134-N367 WeakPolarHBondContact CD-OD1 3.45Å; K134-N367 WeakPolarHBondContact CE-OD1 3.15Å; K134-N367 PolarHBondContact NZ-ND2 2.94Å; K134-N367 PolarHBondContact NZ-OD1 2.96Å; D363-N367 WeakPolarHBondContact O-CB 3.47Å; D363-N367 PolarHBondContact O-N 3.19Å; D363-N367 PolarHBondContact O-ND2 3Å; D363-N367 PolarHBondContact OD2-ND2 3.03Å; T364-N367 PolarHBondContact O-N 2.7Å; N367-Q370 PolarHBondContact O-N 3.06Å; N367-N371 PolarHBondContact O-N 3.32Å; N367-N371 VanDerWaalsContact O-N 3.07Å; N367-A494 WeakPolarHBondContact O-CB 3.42Å
368	T	96.4	Very high	96.5	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.012	8%	0.077	C	C	.	.	H	α-helix	trans	-67.9	-41.2	-179.1	-54.5	0	0	0	0	111.3	R300 C304 T364 N371 I372 L496	R300-T368 HydrophobicContact CB-CG2 3.97Å; C304-T368 VanDerWaalsContact SG-CG2 3.51Å; T364-T368 WeakPolarHBondContact O-CB 3.24Å; T364-T368 PolarHBondContact O-N 3.27Å; T364-T368 PolarHBondContact O-OG1 2.63Å; T368-N371 WeakPolarHBondContact O-CB 3.11Å; T368-N371 PolarHBondContact O-N 3.05Å; T368-I372 HydrophobicContact CG2-CD1 4.26Å; T368-I372 WeakPolarHBondContact O-CG1 3.49Å; T368-I372 PolarHBondContact O-N 2.97Å; T368-L496 HydrophobicContact CG2-CD1 4.22Å
369	L	98	Very high	96.6	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-68	-36.2	177.2	-174.4	60.2	0	0	0	111.8	V138 V262 I265 I365 L366 N371 I372 S373	V138-L369 HydrophobicContact CG1-CD2 3.74Å; V138-L369 HydrophobicContact CG1-CG 3.77Å; V138-L369 HydrophobicContact CG2-CB 4.44Å; V138-L369 HydrophobicContact CG2-CG 4.5Å; V262-L369 HydrophobicContact CG1-CD2 4.3Å; V262-L369 HydrophobicContact CG2-CD2 3.89Å; I265-L369 HydrophobicContact CG2-CD1 4.39Å; I365-L369 WeakPolarHBondContact O-CB 3.5Å; I365-L369 PolarHBondContact O-N 2.83Å; L366-L369 PolarHBondContact O-N 3.4Å; L369-N371 VanDerWaalsContact C-N 3.34Å; L369-I372 PolarHBondContact O-N 3.36Å; L369-S373 WeakPolarHBondContact O-CB 3.03Å; L369-S373 PolarHBondContact O-N 3.08Å; L369-S373 PolarHBondContact O-OG 3.46Å
370	Q	97.7	Very high	96.5	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.009	11%	0.105	C	C	.	.	H	α-helix	trans	-59.6	-48.6	172.3	-176.2	-176.6	-26.6	0	0	109.7	R137 V138 L366 N367 I372 S373 E374 V492 A494	R137-Q370 HydrophobicContact CB-CG 4.43Å; V138-Q370 HydrophobicContact CG2-CB 3.78Å; L366-Q370 VanDerWaalsContact O-CB 3.31Å; L366-Q370 WeakPolarHBondContact O-CB 3.29Å; L366-Q370 PolarHBondContact O-N 3.08Å; N367-Q370 PolarHBondContact O-N 3.06Å; Q370-I372 VanDerWaalsContact C-N 3.33Å; Q370-I372 PolarHBondContact O-N 3.4Å; Q370-S373 WeakPolarHBondContact CA-OG 3.44Å; Q370-S373 PolarHBondContact O-N 3.41Å; Q370-S373 PolarHBondContact O-OG 3.39Å; Q370-E374 HydrophobicContact CG-CG 4.39Å; Q370-E374 PolarHBondContact NE2-OE1 3.08Å; Q370-E374 WeakPolarHBondContact O-CG 3.41Å; Q370-E374 PolarHBondContact O-N 3.37Å; Q370-V492 PolarHBondContact NE2-O 3.07Å; Q370-A494 HydrophobicContact CB-CB 3.74Å; Q370-A494 HydrophobicContact CG-CB 3.7Å
371	N	96.2	Very high	96.6	Very high	24 Å²	24	25 Å²	25	13%	0.128	13%	0.131	C	C	.	.	H	α-helix	trans	-58.6	-42.9	177.1	179.8	-87.9	0	0	0	112.5	P281 R300 N367 T368 L369 E374 A494 L496	P281-N371 WeakPolarHBondContact CG-O 3.35Å; R300-N371 PolarHBondContact NH1-OD1 3.45Å; N367-N371 PolarHBondContact O-N 3.32Å; N367-N371 VanDerWaalsContact O-N 3.07Å; T368-N371 WeakPolarHBondContact O-CB 3.11Å; T368-N371 PolarHBondContact O-N 3.05Å; L369-N371 VanDerWaalsContact C-N 3.34Å; N371-E374 PolarHBondContact O-N 2.99Å; N371-A494 HydrophobicContact CB-CB 3.97Å; N371-A494 PolarHBondContact ND2-O 2.76Å; N371-L496 HydrophobicContact CB-CD1 3.69Å; N371-L496 HydrophobicContact CB-CG 3.91Å; N371-L496 VanDerWaalsContact CG-CD1 3.43Å; N371-L496 WeakPolarHBondContact OD1-CD1 3.41Å
372	I	96.5	Very high	96.6	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-59.8	-50.6	175	-67.2	162.9	0	0	0	110.3	I269 E280 P281 R300 T368 L369 Q370 E374 G375 L376	I269-I372 HydrophobicContact CD1-CG2 4.03Å; E280-I372 HydrophobicContact CB-CG2 4.43Å; P281-I372 WeakPolarHBondContact CD-O 3.44Å; R300-I372 HydrophobicContact CB-CD1 3.78Å; R300-I372 HydrophobicContact CB-CG1 3.81Å; T368-I372 HydrophobicContact CG2-CD1 4.26Å; T368-I372 WeakPolarHBondContact O-CG1 3.49Å; T368-I372 PolarHBondContact O-N 2.97Å; L369-I372 PolarHBondContact O-N 3.36Å; Q370-I372 VanDerWaalsContact C-N 3.33Å; Q370-I372 PolarHBondContact O-N 3.4Å; I372-E374 VanDerWaalsContact C-N 3.28Å; I372-E374 PolarHBondContact O-N 3.22Å; I372-G375 PolarHBondContact O-N 3.3Å; I372-L376 HydrophobicContact CG2-CD2 3.81Å; I372-L376 WeakPolarHBondContact O-CG 3.38Å; I372-L376 PolarHBondContact O-N 2.95Å
373	S	95.3	Very high	96.5	Very high	7 Å²	7	27.5 Å²	27.5	5%	0.049	15%	0.146	C	C	.	.	H	α-helix	trans	-64.6	-28.2	-177.1	67.3	0	0	0	0	113.9	R141 L369 Q370 G375	R141-S373 WeakPolarHBondContact CB-OG 3.45Å; L369-S373 WeakPolarHBondContact O-CB 3.03Å; L369-S373 PolarHBondContact O-N 3.08Å; L369-S373 PolarHBondContact O-OG 3.46Å; Q370-S373 WeakPolarHBondContact CA-OG 3.44Å; Q370-S373 PolarHBondContact O-N 3.41Å; Q370-S373 PolarHBondContact O-OG 3.39Å; S373-G375 VanDerWaalsContact C-N 3.27Å; S373-G375 PolarHBondContact O-N 2.83Å
374	E	93.6	Very high	96.5	Very high	65 Å²	65	31 Å²	31	30%	0.304	16%	0.162	S	C	.	.	H	α-helix	trans	-73	-17.3	177.9	-76.7	-179.9	165.4	0	0	113.4	R141 Q370 N371 I372 A494	R141-E374 HydrophobicContact CG-CG 3.72Å; R141-E374 IonicContact CZ-OE1 2.67Å; R141-E374 IonicContact NE-OE1 2.69Å; R141-E374 PolarHBondContact NE-OE1 2.91Å; R141-E374 IonicContact NH2-OE1 3.67Å; R141-E374 PolarHBondContact NH2-OE1 3.44Å; R141-E374 VanDerWaalsContact NH2-OE1 3.11Å; Q370-E374 HydrophobicContact CG-CG 4.39Å; Q370-E374 PolarHBondContact NE2-OE1 3.08Å; Q370-E374 WeakPolarHBondContact O-CG 3.41Å; Q370-E374 PolarHBondContact O-N 3.37Å; N371-E374 PolarHBondContact O-N 2.99Å; I372-E374 VanDerWaalsContact C-N 3.28Å; I372-E374 PolarHBondContact O-N 3.22Å; E374-A494 PolarHBondContact OE2-N 3.4Å
375	G	92.2	Very high	96.5	Very high	24 Å²	24	38 Å²	38	25%	0.247	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.3	30.4	-172.9	0	0	0	0	0	114.9	P281 I372 S373 V377	P281-G375 WeakPolarHBondContact CA-O 3.26Å; P281-G375 VanDerWaalsContact CB-O 3.32Å; P281-G375 WeakPolarHBondContact CB-O 3.15Å; P281-G375 VanDerWaalsContact CD-O 3.3Å; P281-G375 WeakPolarHBondContact CD-O 3.42Å; I372-G375 PolarHBondContact O-N 3.3Å; S373-G375 VanDerWaalsContact C-N 3.27Å; S373-G375 PolarHBondContact O-N 2.83Å; G375-V377 PolarHBondContact O-N 3.32Å
376	L	95.1	Very high	96.5	Very high	22 Å²	22	40.9 Å²	40.9	12%	0.115	20%	0.199	C	C	.	.			trans	-59.3	125.5	171.4	-72.7	174.5	0	0	0	110.5	L142 F145 I269 M278 I372	L142-L376 HydrophobicContact CD2-CD1 4.34Å; F145-L376 HydrophobicContact CD1-CD1 4.34Å; F145-L376 HydrophobicContact CD2-CB 4.32Å; F145-L376 HydrophobicContact CD2-CD1 4.46Å; F145-L376 HydrophobicContact CE1-CD1 4.27Å; F145-L376 HydrophobicContact CE2-CB 3.97Å; F145-L376 HydrophobicContact CE2-CD1 4.39Å; F145-L376 HydrophobicContact CG-CD1 4.44Å; F145-L376 HydrophobicContact CZ-CB 4.42Å; F145-L376 HydrophobicContact CZ-CD1 4.29Å; I269-L376 HydrophobicContact CD1-CD2 4.43Å; M278-L376 HydrophobicContact CG-CD2 4.27Å; M278-L376 HydrophobicContact SD-CD1 4.1Å; M278-L376 HydrophobicContact SD-CD2 3.91Å; M278-L376 HydrophobicContact SD-CG 4.4Å; I372-L376 HydrophobicContact CG2-CD2 3.81Å; I372-L376 WeakPolarHBondContact O-CG 3.38Å; I372-L376 PolarHBondContact O-N 2.95Å
377	V	95.1	Very high	96.4	Very high	60 Å²	60	41 Å²	41	36%	0.364	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129	176.6	-177.7	0	0	0	0	108.6	M278 E279 G375 Y379	M278-V377 CarbonylContact C-O 3.59Å; M278-V377 WeakPolarHBondContact CA-O 3.49Å; M278-V377 WeakPolarHBondContact CG-O 3.29Å; E279-V377 PolarHBondContact N-O 2.96Å; E279-V377 PolarHBondContact O-N 2.88Å; G375-V377 PolarHBondContact O-N 3.32Å; V377-Y379 HydrophobicContact CG1-CE1 4.06Å; V377-Y379 HydrophobicContact CG1-CE2 4.18Å
378	V	96.1	Very high	96.3	Very high	20 Å²	20	47 Å²	47	12%	0.121	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.5	179.5	-176.9	0	0	0	0	109.6	F145 L152 M278 P380 I383	F145-V378 HydrophobicContact CE2-CG2 3.6Å; F145-V378 HydrophobicContact CZ-CG2 3.52Å; L152-V378 HydrophobicContact CD2-CG1 3.85Å; M278-V378 HydrophobicContact CE-CG2 4.23Å; M278-V378 HydrophobicContact CG-CG2 4.4Å; V378-P380 VanDerWaalsContact O-CD 3.29Å; V378-P380 WeakPolarHBondContact O-CD 3.2Å; V378-I383 HydrophobicContact CG1-CD1 3.68Å
379	Y	97.2	Very high	96.2	Very high	75 Å²	75	49.1 Å²	49.1	29%	0.294	23%	0.23	S	C	.	.			trans	-115.5	84.4	178.5	-61.2	-73.1	0	0	0	111.9	K276 E277 E279 V377 K381 V382 I383	K276-Y379 WeakPolarHBondContact O-CD2 3.31Å; E277-Y379 PolarHBondContact O-N 2.84Å; E279-Y379 HydrophobicContact CB-CE2 4.15Å; E279-Y379 HydrophobicContact CG-CE2 3.79Å; E279-Y379 WeakPolarHBondContact OE2-CE2 3.44Å; E279-Y379 PolarHBondContact OE2-OH 2.96Å; V377-Y379 HydrophobicContact CG1-CE1 4.06Å; V377-Y379 HydrophobicContact CG1-CE2 4.18Å; Y379-K381 VanDerWaalsContact C-N 3.26Å; Y379-K381 PolarHBondContact O-N 3.29Å; Y379-K381 VanDerWaalsContact O-N 3.15Å; Y379-V382 PolarHBondContact O-N 3.33Å; Y379-V382 VanDerWaalsContact O-N 3.08Å; Y379-I383 PolarHBondContact O-N 3.29Å
380	P	97.3	Very high	96.1	Very high	44 Å²	44	51.5 Å²	51.5	29%	0.286	24%	0.241	S	C	.	.	H	α-helix	trans	-54.9	-37.1	-176.3	-27.8	35.1	0	0	0	114.1	L152 V378 V382 I383 E384	L152-P380 HydrophobicContact CD1-CB 4.43Å; V378-P380 VanDerWaalsContact O-CD 3.29Å; V378-P380 WeakPolarHBondContact O-CD 3.2Å; P380-V382 VanDerWaalsContact C-N 3.34Å; P380-V382 PolarHBondContact O-N 2.93Å; P380-I383 WeakPolarHBondContact O-CB 3.33Å; P380-I383 PolarHBondContact O-N 2.92Å; P380-E384 WeakPolarHBondContact O-CB 3.42Å; P380-E384 VanDerWaalsContact O-CG 3.28Å; P380-E384 WeakPolarHBondContact O-CG 3.29Å; P380-E384 PolarHBondContact O-N 3.4Å
381	K	97.6	Very high	96	Very high	146 Å²	146	51.6 Å²	51.6	64%	0.635	24%	0.242	S	C	*	.	H	α-helix	trans	-67.4	-31.1	-179.7	-63.8	-53.1	-180	-165	0	114.1	Y379 E384 R385	Y379-K381 VanDerWaalsContact C-N 3.26Å; Y379-K381 PolarHBondContact O-N 3.29Å; Y379-K381 VanDerWaalsContact O-N 3.15Å; K381-E384 WeakPolarHBondContact CD-OE2 3.34Å; K381-E384 VanDerWaalsContact NZ-CD 3.34Å; K381-E384 IonicContact NZ-OE1 3.11Å; K381-E384 PolarHBondContact NZ-OE1 2.89Å; K381-E384 IonicContact NZ-OE2 2.91Å; K381-E384 PolarHBondContact NZ-OE2 3.4Å; K381-R385 WeakPolarHBondContact O-CB 3.31Å; K381-R385 PolarHBondContact O-N 2.96Å; K381-R385 VanDerWaalsContact O-N 3.1Å
382	V	97.4	Very high	95.9	Very high	50 Å²	50	50.8 Å²	50.8	30%	0.303	24%	0.238	S	C	.	.	H	α-helix	trans	-72.2	-41.9	173.2	178.1	0	0	0	0	110	K276 E277 Y379 P380 R385 R386	K276-V382 HydrophobicContact CB-CG1 4.19Å; K276-V382 WeakPolarHBondContact O-CB 3.38Å; K276-V382 WeakPolarHBondContact O-CG1 2.93Å; E277-V382 HydrophobicContact CG-CG1 4.48Å; Y379-V382 PolarHBondContact O-N 3.33Å; Y379-V382 VanDerWaalsContact O-N 3.08Å; P380-V382 VanDerWaalsContact C-N 3.34Å; P380-V382 PolarHBondContact O-N 2.93Å; V382-R385 PolarHBondContact O-N 3.43Å; V382-R386 PolarHBondContact O-N 3.01Å
383	I	97.8	Very high	95.8	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.015	25%	0.25	C	C	.	.	H	α-helix	trans	-60.5	-50.8	176.5	-62.3	168.1	0	0	0	110.4	L152 P153 V168 E277 V378 Y379 P380 R385 R386 I387	L152-I383 HydrophobicContact CD2-CD1 4.43Å; P153-I383 WeakPolarHBondContact O-CG2 3.33Å; V168-I383 HydrophobicContact CG2-CD1 4.11Å; E277-I383 HydrophobicContact CB-CD1 4.25Å; E277-I383 HydrophobicContact CB-CG1 3.74Å; E277-I383 HydrophobicContact CG-CG1 3.71Å; V378-I383 HydrophobicContact CG1-CD1 3.68Å; Y379-I383 PolarHBondContact O-N 3.29Å; P380-I383 WeakPolarHBondContact O-CB 3.33Å; P380-I383 PolarHBondContact O-N 2.92Å; I383-R385 VanDerWaalsContact C-N 3.3Å; I383-R385 PolarHBondContact O-N 3.48Å; I383-R386 PolarHBondContact O-N 2.91Å; I383-R386 VanDerWaalsContact O-N 3.15Å; I383-I387 HydrophobicContact CG2-CD1 3.9Å; I383-I387 HydrophobicContact CG2-CG1 4.45Å; I383-I387 WeakPolarHBondContact O-CG1 3.39Å; I383-I387 PolarHBondContact O-N 2.75Å
384	E	96.9	Very high	95.6	Very high	74 Å²	74	54.8 Å²	54.8	35%	0.346	26%	0.255	S	S	.	.	H	α-helix	trans	-57.4	-40.5	176.5	-73.6	168.8	-152.2	0	0	112.1	P380 K381 R388	P380-E384 WeakPolarHBondContact O-CB 3.42Å; P380-E384 VanDerWaalsContact O-CG 3.28Å; P380-E384 WeakPolarHBondContact O-CG 3.29Å; P380-E384 PolarHBondContact O-N 3.4Å; K381-E384 WeakPolarHBondContact CD-OE2 3.34Å; K381-E384 VanDerWaalsContact NZ-CD 3.34Å; K381-E384 IonicContact NZ-OE1 3.11Å; K381-E384 PolarHBondContact NZ-OE1 2.89Å; K381-E384 IonicContact NZ-OE2 2.91Å; K381-E384 PolarHBondContact NZ-OE2 3.4Å; E384-R388 WeakPolarHBondContact O-CG 3.34Å; E384-R388 PolarHBondContact O-N 3.16Å; E384-R388 PolarHBondContact O-NE 3.43Å
385	R	97.1	Very high	95.6	Very high	147 Å²	147	51.7 Å²	51.7	56%	0.555	24%	0.241	S	C	*	.	H	α-helix	trans	-62.7	-46.9	176	-178.5	-179.8	178.1	-179.4	0.4	111.1	K381 V382 I383 R388 Q389	K381-R385 WeakPolarHBondContact O-CB 3.31Å; K381-R385 PolarHBondContact O-N 2.96Å; K381-R385 VanDerWaalsContact O-N 3.1Å; V382-R385 PolarHBondContact O-N 3.43Å; I383-R385 VanDerWaalsContact C-N 3.3Å; I383-R385 PolarHBondContact O-N 3.48Å; R385-R388 PolarHBondContact O-N 3.06Å; R385-Q389 WeakPolarHBondContact O-CG 3.21Å; R385-Q389 PolarHBondContact O-N 2.88Å
386	R	97.1	Very high	95.5	Very high	62 Å²	62	52.2 Å²	52.2	23%	0.234	24%	0.239	C	C	.	.	H	α-helix	trans	-65.5	-40	179.8	-176.6	168.7	-68.5	107.3	-1.3	111.9	L155 L275 E277 V382 I383 R388 Q389 E390	L155-R386 HydrophobicContact CD2-CG 3.84Å; L275-R386 PolarHBondContact O-NH1 2.86Å; L275-R386 PolarHBondContact O-NH2 3.29Å; E277-R386 WeakPolarHBondContact OE1-CD 3.47Å; E277-R386 IonicContact OE1-CZ 3.29Å; E277-R386 IonicContact OE1-NE 3.76Å; E277-R386 IonicContact OE1-NH1 3.79Å; E277-R386 PolarHBondContact OE1-NH1 3.25Å; V382-R386 PolarHBondContact O-N 3.01Å; I383-R386 PolarHBondContact O-N 2.91Å; I383-R386 VanDerWaalsContact O-N 3.15Å; R386-R388 VanDerWaalsContact C-N 3.33Å; R386-R388 PolarHBondContact O-N 3.49Å; R386-Q389 PolarHBondContact O-N 3.09Å; R386-E390 PolarHBondContact O-N 3.42Å
387	I	96.8	Very high	95.2	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-58.3	-47.4	173.6	-68.4	170	0	0	0	110.1	P153 L165 I383 Q389 E390 L391 P460	P153-I387 HydrophobicContact CB-CD1 4.05Å; L165-I387 HydrophobicContact CD1-CD1 4.37Å; L165-I387 HydrophobicContact CD1-CG2 3.95Å; L165-I387 HydrophobicContact CD2-CG1 4.14Å; L165-I387 HydrophobicContact CD2-CG2 4.32Å; I383-I387 HydrophobicContact CG2-CD1 3.9Å; I383-I387 HydrophobicContact CG2-CG1 4.45Å; I383-I387 WeakPolarHBondContact O-CG1 3.39Å; I383-I387 PolarHBondContact O-N 2.75Å; I387-Q389 PolarHBondContact O-N 3.27Å; I387-E390 PolarHBondContact O-N 3.01Å; I387-E390 VanDerWaalsContact O-N 3.08Å; I387-L391 HydrophobicContact CG2-CB 3.98Å; I387-L391 HydrophobicContact CG2-CD2 3.87Å; I387-L391 HydrophobicContact CG2-CG 4.39Å; I387-L391 WeakPolarHBondContact O-CB 3.15Å; I387-L391 PolarHBondContact O-N 2.72Å; I387-P460 HydrophobicContact CG2-CB 4.06Å; I387-P460 HydrophobicContact CG2-CG 3.89Å
388	R	95.2	Very high	94.9	Very high	155 Å²	155	54.9 Å²	54.9	59%	0.585	25%	0.249	S	C	*	.	H	α-helix	trans	-59	-30	179	-78.4	-178.8	-73.2	137.3	-8.1	114	E384 R385 R386 P392	E384-R388 WeakPolarHBondContact O-CG 3.34Å; E384-R388 PolarHBondContact O-N 3.16Å; E384-R388 PolarHBondContact O-NE 3.43Å; R385-R388 PolarHBondContact O-N 3.06Å; R386-R388 VanDerWaalsContact C-N 3.33Å; R386-R388 PolarHBondContact O-N 3.49Å; R388-P392 WeakPolarHBondContact O-CD 3.36Å; R388-P392 WeakPolarHBondContact O-CG 3.13Å
389	Q	94.8	Very high	94.7	Very high	45 Å²	45	53.9 Å²	53.9	21%	0.21	24%	0.243	C	C	.	.	H	α-helix	trans	-73.9	-30.2	177.2	-66.6	-60.2	-23.4	0	0	113.1	R385 R386 I387 D434 N435	R385-Q389 WeakPolarHBondContact O-CG 3.21Å; R385-Q389 PolarHBondContact O-N 2.88Å; R386-Q389 PolarHBondContact O-N 3.09Å; I387-Q389 PolarHBondContact O-N 3.27Å; Q389-D434 VanDerWaalsContact NE2-CG 3.31Å; Q389-D434 PolarHBondContact NE2-OD1 3.33Å; Q389-N435 WeakPolarHBondContact O-CB 3.33Å; Q389-N435 PolarHBondContact O-ND2 3.08Å
390	E	95.5	Very high	94.4	Very high	53 Å²	53	50.6 Å²	50.6	25%	0.248	23%	0.23	C	C	.	.	H	α-helix	trans	-109.3	-29.3	-172.1	-60	-60.9	162.5	0	0	113.8	L155 P162 R386 I387 P392 F393 M394	L155-E390 HydrophobicContact CD1-CB 4.01Å; L155-E390 HydrophobicContact CD1-CG 4.42Å; L155-E390 HydrophobicContact CD2-CB 4.36Å; L155-E390 HydrophobicContact CD2-CG 3.86Å; P162-E390 HydrophobicContact CB-CB 4.16Å; P162-E390 HydrophobicContact CB-CG 3.91Å; P162-E390 VanDerWaalsContact CG-CD 3.47Å; P162-E390 HydrophobicContact CG-CG 3.86Å; P162-E390 WeakPolarHBondContact CG-OE2 3.42Å; R386-E390 PolarHBondContact O-N 3.42Å; I387-E390 PolarHBondContact O-N 3.01Å; I387-E390 VanDerWaalsContact O-N 3.08Å; E390-P392 VanDerWaalsContact C-N 3.34Å; E390-F393 PolarHBondContact O-N 3.38Å; E390-F393 VanDerWaalsContact O-N 3.15Å; E390-M394 HydrophobicContact CB-CE 4.06Å; E390-M394 PolarHBondContact O-N 3.32Å
391	L	94.8	Very high	94.1	Very high	4 Å²	4	54 Å²	54	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-58.5	-35.5	-177.9	-164.6	64.1	0	0	0	113.9	L165 I387 F393 M394 A395 L458 P460 F463	L165-L391 HydrophobicContact CD1-CD1 3.95Å; L165-L391 HydrophobicContact CD2-CD1 4.5Å; L165-L391 HydrophobicContact CG-CD1 4.12Å; I387-L391 HydrophobicContact CG2-CB 3.98Å; I387-L391 HydrophobicContact CG2-CD2 3.87Å; I387-L391 HydrophobicContact CG2-CG 4.39Å; I387-L391 WeakPolarHBondContact O-CB 3.15Å; I387-L391 PolarHBondContact O-N 2.72Å; L391-F393 PolarHBondContact O-N 3.19Å; L391-M394 HydrophobicContact CB-CE 4.42Å; L391-M394 HydrophobicContact CD1-CB 4.43Å; L391-M394 HydrophobicContact CD1-CE 3.98Å; L391-M394 CarbonylContact O-C 3.53Å; L391-M394 PolarHBondContact O-N 3.41Å; L391-A395 VanDerWaalsContact O-CB 3.26Å; L391-A395 WeakPolarHBondContact O-CB 3.47Å; L391-A395 PolarHBondContact O-N 2.81Å; L391-L458 WeakPolarHBondContact CD2-O 3.37Å; L391-P460 HydrophobicContact CD2-CB 4.42Å; L391-P460 HydrophobicContact CD2-CG 4.05Å; L391-F463 HydrophobicContact CD1-CB 4.24Å; L391-F463 HydrophobicContact CD1-CD1 3.91Å; L391-F463 HydrophobicContact CD1-CD2 3.86Å; L391-F463 HydrophobicContact CD1-CE1 4.2Å; L391-F463 HydrophobicContact CD1-CE2 4.15Å; L391-F463 HydrophobicContact CD1-CG 3.74Å; L391-F463 HydrophobicContact CD1-CZ 4.31Å; L391-F463 HydrophobicContact CD2-CD2 4.28Å; L391-F463 HydrophobicContact CD2-CE2 4.34Å; L391-F463 HydrophobicContact CG-CD2 4.47Å; L391-F463 HydrophobicContact CG-CE2 4.42Å
392	P	94.8	Very high	93.8	Very high	7 Å²	7	47.7 Å²	47.7	5%	0.045	22%	0.219	C	C	.	.	H	α-helix	trans	-53.5	-40.1	174.6	-30.2	38.1	0	0	0	113.6	R388 E390 L437 I438	R388-P392 WeakPolarHBondContact O-CD 3.36Å; R388-P392 WeakPolarHBondContact O-CG 3.13Å; E390-P392 VanDerWaalsContact C-N 3.34Å; P392-L437 HydrophobicContact CB-CB 4.06Å; P392-L437 HydrophobicContact CB-CD2 3.97Å; P392-L437 HydrophobicContact CB-CG 4.34Å; P392-I438 HydrophobicContact CB-CD1 3.71Å; P392-I438 HydrophobicContact CB-CG1 3.83Å; P392-I438 HydrophobicContact CG-CD1 4.09Å; P392-I438 HydrophobicContact CG-CG1 3.71Å
393	F	93.1	Very high	93.6	Very high	58 Å²	58	45.5 Å²	45.5	25%	0.254	21%	0.206	S	C	.	.	H	α-helix	trans	-71.2	-37.2	178	-62.9	-50.6	0	0	0	112.2	E390 L391 T396 A424 A425 N435 L437	E390-F393 PolarHBondContact O-N 3.38Å; E390-F393 VanDerWaalsContact O-N 3.15Å; L391-F393 PolarHBondContact O-N 3.19Å; F393-T396 VanDerWaalsContact O-CG2 3.32Å; F393-T396 WeakPolarHBondContact O-CG2 3.4Å; F393-T396 PolarHBondContact O-OG1 3.23Å; F393-A424 HydrophobicContact CE1-CB 4.13Å; F393-A424 HydrophobicContact CZ-CB 4.22Å; F393-A425 HydrophobicContact CE1-CB 4.48Å; F393-A425 HydrophobicContact CZ-CB 4.19Å; F393-N435 WeakPolarHBondContact CD2-ND2 3.43Å; F393-N435 WeakPolarHBondContact CE2-ND2 3.28Å; F393-N435 VanDerWaalsContact CZ-ND2 3.3Å; F393-N435 WeakPolarHBondContact CZ-ND2 3.43Å; F393-L437 HydrophobicContact CD1-CD2 3.72Å; F393-L437 HydrophobicContact CE1-CD2 4Å
394	M	92.4	Very high	93.4	Very high	33 Å²	33	48.3 Å²	48.3	16%	0.163	22%	0.223	C	C	.	.	H	α-helix	trans	-75.3	-26.1	179.1	-64.6	-174.9	-76.1	0	0	113.2	L155 L165 E390 L391 T396	L155-M394 HydrophobicContact CD1-CE 3.62Å; L155-M394 HydrophobicContact CD1-SD 4.42Å; L165-M394 HydrophobicContact CD2-CE 3.83Å; E390-M394 HydrophobicContact CB-CE 4.06Å; E390-M394 PolarHBondContact O-N 3.32Å; L391-M394 HydrophobicContact CB-CE 4.42Å; L391-M394 HydrophobicContact CD1-CB 4.43Å; L391-M394 HydrophobicContact CD1-CE 3.98Å; L391-M394 CarbonylContact O-C 3.53Å; L391-M394 PolarHBondContact O-N 3.41Å; M394-T396 VanDerWaalsContact C-N 3.28Å; M394-T396 PolarHBondContact O-N 3.34Å
395	A	92.6	Very high	93.2	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-3.2	-178.8	0	0	0	0	0	113.8	L391 E397 N398 I399 L458 F463	L391-A395 VanDerWaalsContact O-CB 3.26Å; L391-A395 WeakPolarHBondContact O-CB 3.47Å; L391-A395 PolarHBondContact O-N 2.81Å; A395-E397 VanDerWaalsContact C-N 3.31Å; A395-E397 PolarHBondContact O-N 3.15Å; A395-N398 WeakPolarHBondContact O-CB 3.41Å; A395-N398 PolarHBondContact O-N 2.69Å; A395-I399 HydrophobicContact CB-CD1 4.31Å; A395-I399 WeakPolarHBondContact O-CG1 3.45Å; A395-I399 PolarHBondContact O-N 3.31Å; A395-L458 HydrophobicContact CB-CD2 3.57Å; A395-F463 HydrophobicContact CB-CE1 4.06Å; A395-F463 HydrophobicContact CB-CZ 3.61Å
396	T	90.3	Very high	92.9	Very high	35 Å²	35	49.5 Å²	49.5	22%	0.215	24%	0.24	C	C	.	.	H	α-helix	trans	-54.1	-42.4	-176.6	48.6	0	0	0	0	113	F393 M394 I399 I400 I417 L437	F393-T396 VanDerWaalsContact O-CG2 3.32Å; F393-T396 WeakPolarHBondContact O-CG2 3.4Å; F393-T396 PolarHBondContact O-OG1 3.23Å; M394-T396 VanDerWaalsContact C-N 3.28Å; M394-T396 PolarHBondContact O-N 3.34Å; T396-I399 PolarHBondContact O-N 2.95Å; T396-I400 VanDerWaalsContact O-CG1 3.25Å; T396-I400 WeakPolarHBondContact O-CG1 3.22Å; T396-I400 PolarHBondContact O-N 3.02Å; T396-I417 HydrophobicContact CG2-CG2 3.47Å; T396-I417 VanDerWaalsContact CG2-CG2 3.47Å; T396-L437 HydrophobicContact CG2-CD2 4.43Å
397	E	88.5	Confident	92.6	Very high	79 Å²	79	50 Å²	50	37%	0.369	26%	0.264	S	S	.	.	H	α-helix	trans	-65.3	-41.1	176.4	-170.4	65.1	-164.3	0	0	112.2	A395 I399 I400 M401 R410	A395-E397 VanDerWaalsContact C-N 3.31Å; A395-E397 PolarHBondContact O-N 3.15Å; E397-I399 VanDerWaalsContact C-N 3.3Å; E397-I399 PolarHBondContact O-N 3.21Å; E397-I400 PolarHBondContact O-N 3.27Å; E397-M401 HydrophobicContact CG-SD 4.46Å; E397-M401 WeakPolarHBondContact O-CG 3.44Å; E397-M401 PolarHBondContact O-N 2.87Å; E397-R410 IonicContact OE1-NH2 3.24Å; E397-R410 PolarHBondContact OE1-NH2 2.99Å
398	N	90.4	Very high	92.2	Very high	59 Å²	59	51 Å²	51	32%	0.316	28%	0.276	S	S	.	.	H	α-helix	trans	-63.4	-38.4	177.2	-72.2	13.7	0	0	0	111.5	A395 M401 A402 F463	A395-N398 WeakPolarHBondContact O-CB 3.41Å; A395-N398 PolarHBondContact O-N 2.69Å; N398-M401 PolarHBondContact O-N 3.46Å; N398-A402 WeakPolarHBondContact O-CB 3.49Å; N398-A402 PolarHBondContact O-N 3.17Å; N398-F463 VanDerWaalsContact ND2-CZ 3.29Å; N398-F463 WeakPolarHBondContact ND2-CZ 3.3Å
399	I	91.8	Very high	92.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.5	-43.4	176	-65.4	169.6	0	0	0	110.3	A395 T396 E397 A402 M403 I417 I441 F447 I450	A395-I399 HydrophobicContact CB-CD1 4.31Å; A395-I399 WeakPolarHBondContact O-CG1 3.45Å; A395-I399 PolarHBondContact O-N 3.31Å; T396-I399 PolarHBondContact O-N 2.95Å; E397-I399 VanDerWaalsContact C-N 3.3Å; E397-I399 PolarHBondContact O-N 3.21Å; I399-A402 PolarHBondContact O-N 3.02Å; I399-M403 PolarHBondContact O-N 3.47Å; I399-I417 HydrophobicContact CB-CD1 4.21Å; I399-I417 HydrophobicContact CG2-CD1 3.65Å; I399-I441 HydrophobicContact CD1-CD1 4.04Å; I399-F447 HydrophobicContact CG2-CD1 4.5Å; I399-I450 HydrophobicContact CG2-CD1 3.49Å; I399-I450 VanDerWaalsContact CG2-CD1 3.49Å
400	I	90.8	Very high	91.9	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.026	28%	0.283	C	S	.	.	H	α-helix	trans	-60.8	-47.2	174.9	-67	164.9	0	0	0	110.6	T396 E397 A402 M403 V404 R410 H414 I417	T396-I400 VanDerWaalsContact O-CG1 3.25Å; T396-I400 WeakPolarHBondContact O-CG1 3.22Å; T396-I400 PolarHBondContact O-N 3.02Å; E397-I400 PolarHBondContact O-N 3.27Å; I400-A402 VanDerWaalsContact C-N 3.31Å; I400-A402 PolarHBondContact O-N 3.15Å; I400-M403 PolarHBondContact O-N 3.4Å; I400-V404 HydrophobicContact CG2-CG2 4.37Å; I400-V404 WeakPolarHBondContact O-CG2 3.13Å; I400-V404 PolarHBondContact O-N 2.89Å; I400-R410 HydrophobicContact CG2-CG 3.84Å; I400-H414 HydrophobicContact CD1-CB 4.17Å; I400-I417 HydrophobicContact CD1-CD1 4.35Å; I400-I417 HydrophobicContact CG1-CD1 3.55Å
401	M	89.8	Confident	91.7	Very high	117 Å²	117	55.2 Å²	55.2	58%	0.576	30%	0.302	S	S	*	.	H	α-helix	trans	-60.1	-41.3	178.8	-72.3	179.3	67.1	0	0	112.1	E397 N398 V404 K405	E397-M401 HydrophobicContact CG-SD 4.46Å; E397-M401 WeakPolarHBondContact O-CG 3.44Å; E397-M401 PolarHBondContact O-N 2.87Å; N398-M401 PolarHBondContact O-N 3.46Å; M401-V404 PolarHBondContact O-N 2.76Å; M401-K405 WeakPolarHBondContact O-CB 3.32Å; M401-K405 PolarHBondContact O-N 3.08Å
402	A	92.5	Very high	91.6	Very high	12 Å²	12	59.4 Å²	59.4	10%	0.099	32%	0.324	C	S	.	.	H	α-helix	trans	-64.1	-42.7	176.2	0	0	0	0	0	112	N398 I399 I400 K405 A406 I450 L457	N398-A402 WeakPolarHBondContact O-CB 3.49Å; N398-A402 PolarHBondContact O-N 3.17Å; I399-A402 PolarHBondContact O-N 3.02Å; I400-A402 VanDerWaalsContact C-N 3.31Å; I400-A402 PolarHBondContact O-N 3.15Å; A402-K405 PolarHBondContact O-N 3.15Å; A402-A406 WeakPolarHBondContact O-CB 3.49Å; A402-A406 PolarHBondContact O-N 3.33Å; A402-I450 HydrophobicContact CB-CG2 3.81Å; A402-L457 HydrophobicContact CB-CD1 3.69Å; A402-L457 HydrophobicContact CB-CD2 4.13Å
403	M	93.3	Very high	91.4	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.025	32%	0.322	C	S	.	.	H	α-helix	trans	-63.5	-42.5	176.2	-81.9	-59.5	-66	0	0	112.7	I399 I400 K405 A406 G407 G408 C413 Y446 F447 P449 I450	I399-M403 PolarHBondContact O-N 3.47Å; I400-M403 PolarHBondContact O-N 3.4Å; M403-K405 VanDerWaalsContact C-N 3.34Å; M403-K405 PolarHBondContact O-N 3.21Å; M403-A406 CarbonylContact O-C 3.51Å; M403-A406 PolarHBondContact O-N 2.62Å; M403-G407 PolarHBondContact O-N 2.88Å; M403-G408 WeakPolarHBondContact O-CA 3.46Å; M403-G408 PolarHBondContact O-N 3.21Å; M403-C413 HydrophobicContact CB-CB 4.42Å; M403-Y446 HydrophobicContact CE-CD1 3.99Å; M403-Y446 HydrophobicContact CE-CE1 3.64Å; M403-Y446 WeakPolarHBondContact CE-O 3.41Å; M403-F447 HydrophobicContact CG-CD1 3.97Å; M403-F447 HydrophobicContact CG-CE1 4.41Å; M403-F447 HydrophobicContact SD-CD1 4.17Å; M403-P449 HydrophobicContact CE-CG 4.42Å; M403-P449 HydrophobicContact SD-CB 4.44Å; M403-P449 HydrophobicContact SD-CG 4.48Å; M403-I450 HydrophobicContact CG-CD1 3.85Å; M403-I450 HydrophobicContact CG-CG1 4.16Å; M403-I450 HydrophobicContact CG-CG2 4.06Å; M403-I450 HydrophobicContact SD-CB 4.27Å; M403-I450 HydrophobicContact SD-CD1 4.09Å; M403-I450 HydrophobicContact SD-CG1 3.72Å; M403-I450 HydrophobicContact SD-CG2 3.65Å
404	V	93.1	Very high	91.4	Very high	62 Å²	62	60.4 Å²	60.4	38%	0.376	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-42.4	176.1	172.5	0	0	0	0	110.7	I400 M401 A406 G407 R410	I400-V404 HydrophobicContact CG2-CG2 4.37Å; I400-V404 WeakPolarHBondContact O-CG2 3.13Å; I400-V404 PolarHBondContact O-N 2.89Å; M401-V404 PolarHBondContact O-N 2.76Å; V404-A406 PolarHBondContact O-N 3.06Å; V404-G407 PolarHBondContact O-N 3.41Å; V404-R410 HydrophobicContact CG2-CB 3.72Å; V404-R410 HydrophobicContact CG2-CG 4.15Å
405	K	92.9	Very high	91.5	Very high	194 Å²	194	63 Å²	63	84%	0.843	34%	0.341	S	S	*	.	H	α-helix	trans	-64.4	-30.1	176.5	-168.1	178.9	179.9	-176.1	0	112.7	M401 A402 M403 G407	M401-K405 WeakPolarHBondContact O-CB 3.32Å; M401-K405 PolarHBondContact O-N 3.08Å; A402-K405 PolarHBondContact O-N 3.15Å; M403-K405 VanDerWaalsContact C-N 3.34Å; M403-K405 PolarHBondContact O-N 3.21Å; K405-G407 PolarHBondContact O-N 3.01Å
406	A	91.6	Very high	91.5	Very high	52 Å²	52	66.9 Å²	66.9	43%	0.43	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	4.2	173.8	0	0	0	0	0	113.8	A402 M403 V404 P449	A402-A406 WeakPolarHBondContact O-CB 3.49Å; A402-A406 PolarHBondContact O-N 3.33Å; M403-A406 CarbonylContact O-C 3.51Å; M403-A406 PolarHBondContact O-N 2.62Å; V404-A406 PolarHBondContact O-N 3.06Å; A406-P449 HydrophobicContact CB-CB 3.78Å
407	G	89.5	Confident	91.7	Very high	71 Å²	71	65.5 Å²	65.5	73%	0.732	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.8	8.4	177.1	0	0	0	0	0	115	M403 V404 K405	M403-G407 PolarHBondContact O-N 2.88Å; V404-G407 PolarHBondContact O-N 3.41Å; K405-G407 PolarHBondContact O-N 3.01Å
408	G	89.8	Confident	91.9	Very high	25 Å²	25	67.5 Å²	67.5	26%	0.258	35%	0.353	S	S	.	.			trans	-79.8	158.5	177.4	0	0	0	0	0	114.4	M403	M403-G408 WeakPolarHBondContact O-CA 3.46Å; M403-G408 PolarHBondContact O-N 3.21Å
409	S	91.9	Very high	92.2	Very high	55 Å²	55	67.5 Å²	67.5	39%	0.385	36%	0.355	S	S	.	.			trans	-78.5	128.4	172.7	164.9	0	0	0	0	111.2	Q411 D412 C413 Y446	S409-Q411 VanDerWaalsContact C-N 3.34Å; S409-Q411 PolarHBondContact O-N 3.35Å; S409-D412 WeakPolarHBondContact CB-OD2 3.31Å; S409-D412 PolarHBondContact OG-OD2 2.89Å; S409-C413 WeakPolarHBondContact O-CB 3.48Å; S409-C413 PolarHBondContact O-N 3.29Å; S409-C413 VanDerWaalsContact O-N 3.08Å; S409-Y446 PolarHBondContact O-OH 3.4Å
410	R	91.4	Very high	92.3	Very high	148 Å²	148	68.5 Å²	68.5	56%	0.558	36%	0.36	S	S	*	.	H	α-helix	trans	-59.9	-43.3	-179.8	-171.6	178.5	-173.8	-130.5	1.7	112.2	E397 I400 V404 C413 H414	E397-R410 IonicContact OE1-NH2 3.24Å; E397-R410 PolarHBondContact OE1-NH2 2.99Å; I400-R410 HydrophobicContact CG2-CG 3.84Å; V404-R410 HydrophobicContact CG2-CB 3.72Å; V404-R410 HydrophobicContact CG2-CG 4.15Å; R410-C413 PolarHBondContact O-N 3.36Å; R410-H414 WeakPolarHBondContact O-CB 3Å; R410-H414 PolarHBondContact O-N 3.2Å
411	Q	90.9	Very high	92.5	Very high	138 Å²	138	69.2 Å²	69.2	65%	0.645	37%	0.366	S	S	*	.	H	α-helix	trans	-69.4	-41.4	-173.9	-163.1	67.3	12.8	0	0	111.5	S409 H414 E415	S409-Q411 VanDerWaalsContact C-N 3.34Å; S409-Q411 PolarHBondContact O-N 3.35Å; Q411-H414 PolarHBondContact O-N 3.5Å; Q411-E415 PolarHBondContact O-N 3.32Å; Q411-E415 VanDerWaalsContact O-N 3.16Å
412	D	91.9	Very high	92.7	Very high	93 Å²	93	68.9 Å²	68.9	50%	0.497	36%	0.363	S	S	.	.	H	α-helix	trans	-68.8	-38.5	178.1	-58.7	-45.4	0	0	0	111.2	S409 K416	S409-D412 WeakPolarHBondContact CB-OD2 3.31Å; S409-D412 PolarHBondContact OG-OD2 2.89Å; D412-K416 WeakPolarHBondContact O-CB 3.13Å; D412-K416 WeakPolarHBondContact O-CG 3.4Å; D412-K416 PolarHBondContact O-N 3.01Å; D412-K416 VanDerWaalsContact O-N 3.16Å
413	C	91.5	Very high	92.8	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-65.3	-45	177.2	-173.7	0	0	0	0	111.6	M403 S409 R410 K416 I417 Y446	M403-C413 HydrophobicContact CB-CB 4.42Å; S409-C413 WeakPolarHBondContact O-CB 3.48Å; S409-C413 PolarHBondContact O-N 3.29Å; S409-C413 VanDerWaalsContact O-N 3.08Å; R410-C413 PolarHBondContact O-N 3.36Å; C413-K416 PolarHBondContact O-N 3.35Å; C413-I417 WeakPolarHBondContact O-CB 3.48Å; C413-I417 WeakPolarHBondContact O-CG1 3.44Å; C413-I417 PolarHBondContact O-N 3.47Å; C413-Y446 WeakPolarHBondContact CA-OH 3.32Å; C413-Y446 HydrophobicContact CB-CE1 3.92Å; C413-Y446 WeakPolarHBondContact CB-OH 3.36Å; C413-Y446 PolarHBondContact N-OH 3.36Å; C413-Y446 VanDerWaalsContact N-OH 3.1Å
414	H	93.6	Very high	92.9	Very high	86 Å²	86	71.9 Å²	71.9	40%	0.398	37%	0.374	S	S	.	.	H	α-helix	trans	-60.5	-49	178.7	177.4	-80.5	0	0	0	112	I400 R410 Q411 K416 I417 R418	I400-H414 HydrophobicContact CD1-CB 4.17Å; R410-H414 WeakPolarHBondContact O-CB 3Å; R410-H414 PolarHBondContact O-N 3.2Å; Q411-H414 PolarHBondContact O-N 3.5Å; H414-K416 PolarHBondContact O-N 2.99Å; H414-I417 PolarHBondContact O-N 2.94Å; H414-R418 WeakPolarHBondContact O-CB 3.33Å; H414-R418 PolarHBondContact O-N 3.22Å
415	E	92.9	Very high	93	Very high	87 Å²	87	70.2 Å²	70.2	41%	0.407	37%	0.368	S	S	.	.	H	α-helix	trans	-66.3	-39.1	-178.1	-171.1	59.8	-162.4	0	0	111.8	Q411 R418 V419	Q411-E415 PolarHBondContact O-N 3.32Å; Q411-E415 VanDerWaalsContact O-N 3.16Å; E415-R418 WeakPolarHBondContact O-CB 3.48Å; E415-R418 PolarHBondContact O-N 3.01Å; E415-R418 IonicContact OE1-NH1 3.92Å; E415-R418 PolarHBondContact OE1-NH1 2.97Å; E415-R418 IonicContact OE2-NH1 2.81Å; E415-R418 PolarHBondContact OE2-NH1 3.34Å; E415-R418 VanDerWaalsContact OE2-NH1 3.11Å; E415-V419 WeakPolarHBondContact O-CG2 3.47Å; E415-V419 PolarHBondContact O-N 3.4Å; E415-V419 VanDerWaalsContact O-N 3.08Å
416	K	93.3	Very high	93.1	Very high	82 Å²	82	63.7 Å²	63.7	36%	0.357	35%	0.346	S	S	.	.	H	α-helix	trans	-61.8	-48.4	173.9	-77.1	-171.7	167.1	-144	0	112.5	D412 C413 H414 R418 V419 L420 D444 Y446 F447	D412-K416 WeakPolarHBondContact O-CB 3.13Å; D412-K416 WeakPolarHBondContact O-CG 3.4Å; D412-K416 PolarHBondContact O-N 3.01Å; D412-K416 VanDerWaalsContact O-N 3.16Å; C413-K416 PolarHBondContact O-N 3.35Å; H414-K416 PolarHBondContact O-N 2.99Å; K416-R418 VanDerWaalsContact C-N 3.27Å; K416-R418 PolarHBondContact O-N 2.89Å; K416-V419 PolarHBondContact O-N 3.43Å; K416-L420 WeakPolarHBondContact O-CG 3.32Å; K416-L420 PolarHBondContact O-N 3.23Å; K416-L420 VanDerWaalsContact O-N 3.07Å; K416-D444 IonicContact NZ-OD1 2.98Å; K416-Y446 HydrophobicContact CD-CD1 3.66Å; K416-Y446 HydrophobicContact CD-CD2 3.76Å; K416-Y446 HydrophobicContact CD-CE1 4.07Å; K416-Y446 HydrophobicContact CD-CE2 4.15Å; K416-Y446 HydrophobicContact CD-CG 3.49Å; K416-Y446 VanDerWaalsContact CD-CG 3.49Å; K416-Y446 VanDerWaalsContact NZ-CB 3.34Å; K416-F447 HydrophobicContact CB-CZ 4.15Å
417	I	93.9	Very high	93.3	Very high	5 Å²	5	62.1 Å²	62.1	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-60.8	-39.5	177.2	-73.5	173.2	0	0	0	110.9	T396 I399 I400 C413 H414 L420 S421 F447	T396-I417 HydrophobicContact CG2-CG2 3.47Å; T396-I417 VanDerWaalsContact CG2-CG2 3.47Å; I399-I417 HydrophobicContact CB-CD1 4.21Å; I399-I417 HydrophobicContact CG2-CD1 3.65Å; I400-I417 HydrophobicContact CD1-CD1 4.35Å; I400-I417 HydrophobicContact CG1-CD1 3.55Å; C413-I417 WeakPolarHBondContact O-CB 3.48Å; C413-I417 WeakPolarHBondContact O-CG1 3.44Å; C413-I417 PolarHBondContact O-N 3.47Å; H414-I417 PolarHBondContact O-N 2.94Å; I417-L420 PolarHBondContact O-N 2.96Å; I417-S421 VanDerWaalsContact O-CB 3.22Å; I417-S421 WeakPolarHBondContact O-CB 3.43Å; I417-S421 PolarHBondContact O-N 2.82Å; I417-S421 PolarHBondContact O-OG 3.3Å; I417-F447 HydrophobicContact CD1-CE1 3.87Å; I417-F447 HydrophobicContact CD1-CZ 4.32Å; I417-F447 HydrophobicContact CG1-CE1 3.62Å; I417-F447 HydrophobicContact CG1-CZ 3.55Å
418	R	94.3	Very high	93.6	Very high	121 Å²	121	61.2 Å²	61.2	46%	0.457	31%	0.311	S	S	.	.	H	α-helix	trans	-60.2	-47.3	178.1	-179.9	-174.8	174.2	-150.7	-0.3	111.8	H414 E415 K416 S421 Q422	H414-R418 WeakPolarHBondContact O-CB 3.33Å; H414-R418 PolarHBondContact O-N 3.22Å; E415-R418 WeakPolarHBondContact O-CB 3.48Å; E415-R418 PolarHBondContact O-N 3.01Å; E415-R418 IonicContact OE1-NH1 3.92Å; E415-R418 PolarHBondContact OE1-NH1 2.97Å; E415-R418 IonicContact OE2-NH1 2.81Å; E415-R418 PolarHBondContact OE2-NH1 3.34Å; E415-R418 VanDerWaalsContact OE2-NH1 3.11Å; K416-R418 VanDerWaalsContact C-N 3.27Å; K416-R418 PolarHBondContact O-N 2.89Å; R418-S421 PolarHBondContact O-N 2.97Å; R418-Q422 WeakPolarHBondContact O-CG 3.5Å; R418-Q422 PolarHBondContact O-N 3.4Å
419	V	95.3	Very high	93.8	Very high	60 Å²	60	68.2 Å²	68.2	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-47.4	177.7	173.8	0	0	0	0	110.8	E415 K416 S421 Q422 Q423	E415-V419 WeakPolarHBondContact O-CG2 3.47Å; E415-V419 PolarHBondContact O-N 3.4Å; E415-V419 VanDerWaalsContact O-N 3.08Å; K416-V419 PolarHBondContact O-N 3.43Å; V419-S421 VanDerWaalsContact C-N 3.31Å; V419-S421 PolarHBondContact O-N 3.18Å; V419-Q422 PolarHBondContact O-N 2.86Å; V419-Q423 WeakPolarHBondContact O-CG 3.32Å; V419-Q423 PolarHBondContact O-N 3.03Å; V419-Q423 VanDerWaalsContact O-N 3.07Å
420	L	94.8	Very high	94	Very high	20 Å²	20	73 Å²	73	11%	0.105	35%	0.351	C	S	.	.	H	α-helix	trans	-62.4	-38.9	177.6	-64.2	-178.4	0	0	0	112.1	K416 I417 Q423 A424 L437 R440 I441 F447	K416-L420 WeakPolarHBondContact O-CG 3.32Å; K416-L420 PolarHBondContact O-N 3.23Å; K416-L420 VanDerWaalsContact O-N 3.07Å; I417-L420 PolarHBondContact O-N 2.96Å; L420-Q423 PolarHBondContact O-N 3.25Å; L420-A424 PolarHBondContact O-N 3.47Å; L420-L437 HydrophobicContact CB-CD1 3.76Å; L420-R440 HydrophobicContact CD1-CB 4.47Å; L420-R440 HydrophobicContact CD2-CB 4.22Å; L420-I441 HydrophobicContact CD1-CG1 4.07Å; L420-F447 HydrophobicContact CD1-CE2 3.75Å; L420-F447 HydrophobicContact CD1-CZ 4.4Å
421	S	94.6	Very high	94.2	Very high	20 Å²	20	72.9 Å²	72.9	14%	0.14	36%	0.357	C	S	.	.	H	α-helix	trans	-66.3	-38.8	177.8	-59.9	0	0	0	0	112	I417 R418 V419 A425	I417-S421 VanDerWaalsContact O-CB 3.22Å; I417-S421 WeakPolarHBondContact O-CB 3.43Å; I417-S421 PolarHBondContact O-N 2.82Å; I417-S421 PolarHBondContact O-OG 3.3Å; R418-S421 PolarHBondContact O-N 2.97Å; V419-S421 VanDerWaalsContact C-N 3.31Å; V419-S421 PolarHBondContact O-N 3.18Å; S421-A425 WeakPolarHBondContact O-CB 3.42Å; S421-A425 PolarHBondContact O-N 3.29Å
422	Q	94.3	Very high	94.4	Very high	111 Å²	111	69.6 Å²	69.6	52%	0.519	36%	0.36	S	S	.	.	H	α-helix	trans	-66.3	-39.3	175.2	-74	176.1	-1.5	0	0	111.9	R418 V419 S426	R418-Q422 WeakPolarHBondContact O-CG 3.5Å; R418-Q422 PolarHBondContact O-N 3.4Å; V419-Q422 PolarHBondContact O-N 2.86Å; Q422-S426 WeakPolarHBondContact O-CB 3.12Å; Q422-S426 PolarHBondContact O-N 3.23Å
423	Q	94.7	Very high	94.5	Very high	79 Å²	79	66.7 Å²	66.7	37%	0.369	35%	0.352	S	S	.	.	H	α-helix	trans	-62.6	-51.5	174.8	-68.8	171.5	-0.7	0	0	111.1	V419 L420 A425 S426 V427	V419-Q423 WeakPolarHBondContact O-CG 3.32Å; V419-Q423 PolarHBondContact O-N 3.03Å; V419-Q423 VanDerWaalsContact O-N 3.07Å; L420-Q423 PolarHBondContact O-N 3.25Å; Q423-A425 VanDerWaalsContact C-N 3.33Å; Q423-A425 PolarHBondContact O-N 3.04Å; Q423-S426 WeakPolarHBondContact O-CB 3.43Å; Q423-S426 PolarHBondContact O-N 3.07Å; Q423-S426 VanDerWaalsContact O-N 3.07Å; Q423-V427 PolarHBondContact O-N 3.22Å
424	A	94.7	Very high	94.7	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-60.2	-42.3	177.7	0	0	0	0	0	112	F393 L420 S426 V427 V428 D436 L437	F393-A424 HydrophobicContact CE1-CB 4.13Å; F393-A424 HydrophobicContact CZ-CB 4.22Å; L420-A424 PolarHBondContact O-N 3.47Å; A424-S426 VanDerWaalsContact C-N 3.28Å; A424-S426 PolarHBondContact O-N 3.46Å; A424-V427 PolarHBondContact O-N 3.24Å; A424-V428 WeakPolarHBondContact O-CG2 3.37Å; A424-V428 PolarHBondContact O-N 3.43Å; A424-D436 WeakPolarHBondContact CA-OD1 3.44Å; A424-D436 VanDerWaalsContact CB-OD1 3.26Å; A424-D436 WeakPolarHBondContact CB-OD1 3.23Å; A424-L437 HydrophobicContact CB-CB 3.85Å
425	A	94.5	Very high	94.8	Very high	28 Å²	28	68.2 Å²	68.2	23%	0.231	36%	0.363	C	S	.	.	H	α-helix	trans	-63.6	-33.5	175.4	0	0	0	0	0	112.7	F393 S421 Q423 K429	F393-A425 HydrophobicContact CE1-CB 4.48Å; F393-A425 HydrophobicContact CZ-CB 4.19Å; S421-A425 WeakPolarHBondContact O-CB 3.42Å; S421-A425 PolarHBondContact O-N 3.29Å; Q423-A425 VanDerWaalsContact C-N 3.33Å; Q423-A425 PolarHBondContact O-N 3.04Å; A425-K429 WeakPolarHBondContact O-CB 3.34Å; A425-K429 WeakPolarHBondContact O-CG 3.26Å; A425-K429 PolarHBondContact O-N 3.35Å
426	S	95.8	Very high	94.9	Very high	56 Å²	56	65.4 Å²	65.4	39%	0.392	35%	0.351	S	S	.	.	H	α-helix	trans	-67.4	-43	173.9	-168.7	0	0	0	0	111.3	Q422 Q423 A424 V428 K429 Q430	Q422-S426 WeakPolarHBondContact O-CB 3.12Å; Q422-S426 PolarHBondContact O-N 3.23Å; Q423-S426 WeakPolarHBondContact O-CB 3.43Å; Q423-S426 PolarHBondContact O-N 3.07Å; Q423-S426 VanDerWaalsContact O-N 3.07Å; A424-S426 VanDerWaalsContact C-N 3.28Å; A424-S426 PolarHBondContact O-N 3.46Å; S426-V428 PolarHBondContact O-N 3.26Å; S426-K429 PolarHBondContact O-N 3.15Å; S426-Q430 WeakPolarHBondContact O-CA 3.5Å; S426-Q430 WeakPolarHBondContact O-CB 3.36Å; S426-Q430 WeakPolarHBondContact O-CG 3.37Å; S426-Q430 PolarHBondContact O-N 3.34Å
427	V	95.9	Very high	95	Very high	19 Å²	19	61.5 Å²	61.5	12%	0.115	33%	0.334	C	S	.	.	I	π-helix	trans	-58.4	-48.4	175	173.4	0	0	0	0	110.6	Q423 A424 K429 E431 G432 G433	Q423-V427 PolarHBondContact O-N 3.22Å; A424-V427 PolarHBondContact O-N 3.24Å; V427-K429 PolarHBondContact O-N 3.29Å; V427-E431 CarbonylContact O-C 3.48Å; V427-E431 WeakPolarHBondContact O-CA 3.07Å; V427-E431 VanDerWaalsContact O-CB 3.29Å; V427-E431 WeakPolarHBondContact O-CB 3.33Å; V427-E431 PolarHBondContact O-N 3.12Å; V427-G432 PolarHBondContact O-N 2.78Å; V427-G432 VanDerWaalsContact O-N 3.08Å; V427-G433 PolarHBondContact O-N 3.46Å
428	V	95.9	Very high	95	Very high	52 Å²	52	62.6 Å²	62.6	32%	0.315	34%	0.339	S	S	.	.	I	π-helix	trans	-61.3	-44	179	175.3	0	0	0	0	111.8	A424 S426 N435	A424-V428 WeakPolarHBondContact O-CG2 3.37Å; A424-V428 PolarHBondContact O-N 3.43Å; S426-V428 PolarHBondContact O-N 3.26Å; V428-N435 HydrophobicContact CG2-CB 4.14Å
429	K	94.1	Very high	95	Very high	173 Å²	173	63 Å²	63	75%	0.752	35%	0.346	S	S	*	.	I	π-helix	trans	-87.3	-34.8	-172.2	-68	-177.4	-177.9	-178	0	114.9	A425 S426 V427	A425-K429 WeakPolarHBondContact O-CB 3.34Å; A425-K429 WeakPolarHBondContact O-CG 3.26Å; A425-K429 PolarHBondContact O-N 3.35Å; S426-K429 PolarHBondContact O-N 3.15Å; V427-K429 PolarHBondContact O-N 3.29Å
430	Q	96.1	Very high	95	Very high	156 Å²	156	63.4 Å²	63.4	73%	0.729	34%	0.342	S	S	*	.	I	π-helix	trans	-97.2	-32.6	-175.7	-58.9	-64.3	-31.9	0	0	112.2	S426	S426-Q430 WeakPolarHBondContact O-CA 3.5Å; S426-Q430 WeakPolarHBondContact O-CB 3.36Å; S426-Q430 WeakPolarHBondContact O-CG 3.37Å; S426-Q430 PolarHBondContact O-N 3.34Å
431	E	96.1	Very high	94.9	Very high	145 Å²	145	62.5 Å²	62.5	68%	0.678	34%	0.337	S	S	*	.	I	π-helix	trans	-108	-16.4	-173.4	-54.1	174.5	-160.5	0	0	112.6	V427 G433	V427-E431 CarbonylContact O-C 3.48Å; V427-E431 WeakPolarHBondContact O-CA 3.07Å; V427-E431 VanDerWaalsContact O-CB 3.29Å; V427-E431 WeakPolarHBondContact O-CB 3.33Å; V427-E431 PolarHBondContact O-N 3.12Å; E431-G433 VanDerWaalsContact C-N 3.26Å; E431-G433 PolarHBondContact O-N 3.04Å
432	G	94.1	Very high	94.8	Very high	68 Å²	68	66 Å²	66	70%	0.701	35%	0.351	S	S	*	.			trans	71.2	21.8	-177.6	0	0	0	0	0	113.5	V427	V427-G432 PolarHBondContact O-N 2.78Å; V427-G432 VanDerWaalsContact O-N 3.08Å
433	G	95.3	Very high	94.9	Very high	33 Å²	33	66.9 Å²	66.9	34%	0.34	36%	0.364	S	S	.	.			trans	-78.6	170.8	176.4	0	0	0	0	0	113.6	V427 E431	V427-G433 PolarHBondContact O-N 3.46Å; E431-G433 VanDerWaalsContact C-N 3.26Å; E431-G433 PolarHBondContact O-N 3.04Å
434	D	95.4	Very high	94.8	Very high	99 Å²	99	65.2 Å²	65.2	53%	0.529	36%	0.357	S	S	.	.			trans	-71.7	160.1	168	-74.7	-47.8	0	0	0	110.7	Q389 D436	Q389-D434 VanDerWaalsContact NE2-CG 3.31Å; Q389-D434 PolarHBondContact NE2-OD1 3.33Å; D434-D436 PolarHBondContact O-N 3.18Å
435	N	95.1	Very high	94.7	Very high	18 Å²	18	68.8 Å²	68.8	10%	0.096	39%	0.386	C	S	.	.			trans	-71	111.7	175.9	-174.2	-8.1	0	0	0	111.2	Q389 F393 V428 L437	Q389-N435 WeakPolarHBondContact O-CB 3.33Å; Q389-N435 PolarHBondContact O-ND2 3.08Å; F393-N435 WeakPolarHBondContact CD2-ND2 3.43Å; F393-N435 WeakPolarHBondContact CE2-ND2 3.28Å; F393-N435 VanDerWaalsContact CZ-ND2 3.3Å; F393-N435 WeakPolarHBondContact CZ-ND2 3.43Å; V428-N435 HydrophobicContact CG2-CB 4.14Å; N435-L437 VanDerWaalsContact OD1-CB 3.24Å; N435-L437 WeakPolarHBondContact OD1-CB 3.38Å; N435-L437 PolarHBondContact OD1-N 3.34Å
436	D	95.3	Very high	94.6	Very high	29 Å²	29	70 Å²	70	16%	0.155	39%	0.386	C	S	.	.			trans	-99.2	12.5	-177.4	68.9	-7.8	0	0	0	113.7	A424 D434 I438 E439 R440	A424-D436 WeakPolarHBondContact CA-OD1 3.44Å; A424-D436 VanDerWaalsContact CB-OD1 3.26Å; A424-D436 WeakPolarHBondContact CB-OD1 3.23Å; D434-D436 PolarHBondContact O-N 3.18Å; D436-I438 VanDerWaalsContact C-N 3.29Å; D436-I438 PolarHBondContact O-N 3.37Å; D436-E439 WeakPolarHBondContact O-CB 3.25Å; D436-E439 PolarHBondContact O-N 3.01Å; D436-E439 VanDerWaalsContact O-N 3.12Å; D436-R440 WeakPolarHBondContact O-CG 3.13Å; D436-R440 PolarHBondContact O-N 3.1Å; D436-R440 IonicContact OD1-CZ 3.95Å; D436-R440 IonicContact OD1-NE 2.71Å; D436-R440 PolarHBondContact OD1-NE 2.91Å; D436-R440 IonicContact OD1-NH2 3.23Å; D436-R440 IonicContact OD2-CZ 2.74Å; D436-R440 VanDerWaalsContact OD2-CZ 3.23Å; D436-R440 IonicContact OD2-NE 2.89Å; D436-R440 PolarHBondContact OD2-NE 3.01Å; D436-R440 IonicContact OD2-NH2 3.19Å; D436-R440 PolarHBondContact OD2-NH2 3.44Å
437	L	95	Very high	94.5	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-56.4	-40.6	-176.6	177.7	57.8	0	0	0	112.9	P392 F393 T396 L420 A424 N435 R440 I441	P392-L437 HydrophobicContact CB-CB 4.06Å; P392-L437 HydrophobicContact CB-CD2 3.97Å; P392-L437 HydrophobicContact CB-CG 4.34Å; F393-L437 HydrophobicContact CD1-CD2 3.72Å; F393-L437 HydrophobicContact CE1-CD2 4Å; T396-L437 HydrophobicContact CG2-CD2 4.43Å; L420-L437 HydrophobicContact CB-CD1 3.76Å; A424-L437 HydrophobicContact CB-CB 3.85Å; N435-L437 VanDerWaalsContact OD1-CB 3.24Å; N435-L437 WeakPolarHBondContact OD1-CB 3.38Å; N435-L437 PolarHBondContact OD1-N 3.34Å; L437-R440 PolarHBondContact O-N 3.2Å; L437-I441 HydrophobicContact CD1-CD1 4.04Å; L437-I441 HydrophobicContact CD1-CG1 4.3Å; L437-I441 HydrophobicContact CG-CD1 4Å; L437-I441 VanDerWaalsContact O-CG1 3.29Å; L437-I441 WeakPolarHBondContact O-CG1 3.32Å; L437-I441 PolarHBondContact O-N 3.03Å
438	I	94	Very high	94.4	Very high	27 Å²	27	69.6 Å²	69.6	14%	0.138	38%	0.383	C	S	.	.	H	α-helix	trans	-69.6	-38.8	-179.8	-56.7	-50.1	0	0	0	111.2	P392 D436 R440 I441 Q442 L458	P392-I438 HydrophobicContact CB-CD1 3.71Å; P392-I438 HydrophobicContact CB-CG1 3.83Å; P392-I438 HydrophobicContact CG-CD1 4.09Å; P392-I438 HydrophobicContact CG-CG1 3.71Å; D436-I438 VanDerWaalsContact C-N 3.29Å; D436-I438 PolarHBondContact O-N 3.37Å; I438-R440 VanDerWaalsContact C-N 3.32Å; I438-R440 PolarHBondContact O-N 3.29Å; I438-I441 HydrophobicContact CD1-CD1 4.41Å; I438-I441 PolarHBondContact O-N 3.17Å; I438-Q442 VanDerWaalsContact O-CG 3.32Å; I438-Q442 WeakPolarHBondContact O-CG 3.06Å; I438-Q442 PolarHBondContact O-N 3.38Å; I438-L458 HydrophobicContact CB-CD1 4.5Å; I438-L458 HydrophobicContact CD1-CD1 3.59Å; I438-L458 HydrophobicContact CD1-CD2 3.93Å; I438-L458 HydrophobicContact CD1-CG 4.35Å; I438-L458 HydrophobicContact CG1-CD1 3.7Å; I438-L458 HydrophobicContact CG2-CD1 3.97Å
439	E	94.4	Very high	94.3	Very high	129 Å²	129	70.3 Å²	70.3	60%	0.603	39%	0.389	S	S	*	.	H	α-helix	trans	-62.8	-42.1	175.8	-59.5	177.8	-179.8	0	0	110.3	D436 I441 Q442 V443	D436-E439 WeakPolarHBondContact O-CB 3.25Å; D436-E439 PolarHBondContact O-N 3.01Å; D436-E439 VanDerWaalsContact O-N 3.12Å; E439-I441 PolarHBondContact O-N 3.39Å; E439-Q442 PolarHBondContact O-N 3.26Å; E439-V443 WeakPolarHBondContact O-CG2 3.15Å; E439-V443 PolarHBondContact O-N 3.1Å; E439-V443 VanDerWaalsContact O-N 3.08Å
440	R	94.4	Very high	94.2	Very high	70 Å²	70	62.1 Å²	62.1	26%	0.264	35%	0.354	S	S	.	.	H	α-helix	trans	-61.5	-42.7	174.1	-68.1	175	-175.5	-83.6	-15.8	112.4	L420 D436 L437 I438 Q442 V443 D444	L420-R440 HydrophobicContact CD1-CB 4.47Å; L420-R440 HydrophobicContact CD2-CB 4.22Å; D436-R440 WeakPolarHBondContact O-CG 3.13Å; D436-R440 PolarHBondContact O-N 3.1Å; D436-R440 IonicContact OD1-CZ 3.95Å; D436-R440 IonicContact OD1-NE 2.71Å; D436-R440 PolarHBondContact OD1-NE 2.91Å; D436-R440 IonicContact OD1-NH2 3.23Å; D436-R440 IonicContact OD2-CZ 2.74Å; D436-R440 VanDerWaalsContact OD2-CZ 3.23Å; D436-R440 IonicContact OD2-NE 2.89Å; D436-R440 PolarHBondContact OD2-NE 3.01Å; D436-R440 IonicContact OD2-NH2 3.19Å; D436-R440 PolarHBondContact OD2-NH2 3.44Å; L437-R440 PolarHBondContact O-N 3.2Å; I438-R440 VanDerWaalsContact C-N 3.32Å; I438-R440 PolarHBondContact O-N 3.29Å; R440-Q442 VanDerWaalsContact C-N 3.33Å; R440-V443 PolarHBondContact O-N 2.87Å; R440-D444 PolarHBondContact O-N 3.38Å
441	I	93.4	Very high	94	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-65.1	-36.7	176.9	-71.6	170	0	0	0	111.3	I399 L420 L437 I438 E439 F447 H451 L454	I399-I441 HydrophobicContact CD1-CD1 4.04Å; L420-I441 HydrophobicContact CD1-CG1 4.07Å; L437-I441 HydrophobicContact CD1-CD1 4.04Å; L437-I441 HydrophobicContact CD1-CG1 4.3Å; L437-I441 HydrophobicContact CG-CD1 4Å; L437-I441 VanDerWaalsContact O-CG1 3.29Å; L437-I441 WeakPolarHBondContact O-CG1 3.32Å; L437-I441 PolarHBondContact O-N 3.03Å; I438-I441 HydrophobicContact CD1-CD1 4.41Å; I438-I441 PolarHBondContact O-N 3.17Å; E439-I441 PolarHBondContact O-N 3.39Å; I441-F447 HydrophobicContact CB-CD2 4.42Å; I441-F447 HydrophobicContact CG1-CD2 4.47Å; I441-F447 HydrophobicContact CG1-CE2 4.42Å; I441-F447 HydrophobicContact CG2-CB 3.79Å; I441-F447 HydrophobicContact CG2-CD1 4.24Å; I441-F447 HydrophobicContact CG2-CD2 4Å; I441-F447 HydrophobicContact CG2-CG 3.75Å; I441-H451 PolarHBondContact O-NE2 3.03Å; I441-L454 HydrophobicContact CG2-CD1 4.13Å; I441-L454 HydrophobicContact CG2-CD2 4.08Å
442	Q	93.5	Very high	93.8	Very high	94 Å²	94	55.8 Å²	55.8	44%	0.439	34%	0.336	S	S	.	.	H	α-helix	trans	-68.4	-32.7	177	-74.6	173.4	-13.8	0	0	112.9	I438 E439 R440 H451 L454	I438-Q442 VanDerWaalsContact O-CG 3.32Å; I438-Q442 WeakPolarHBondContact O-CG 3.06Å; I438-Q442 PolarHBondContact O-N 3.38Å; E439-Q442 PolarHBondContact O-N 3.26Å; R440-Q442 VanDerWaalsContact C-N 3.33Å; Q442-H451 PolarHBondContact O-CE1 2.92Å; Q442-H451 PolarHBondContact O-NE2 3.47Å; Q442-L454 HydrophobicContact CG-CD1 3.57Å
443	V	94.4	Very high	93.7	Very high	130 Å²	130	56.3 Å²	56.3	79%	0.788	32%	0.321	S	S	*	.	H	α-helix	trans	-82.2	-29.1	179	177	0	0	0	0	112.3	E439 R440 A445	E439-V443 WeakPolarHBondContact O-CG2 3.15Å; E439-V443 PolarHBondContact O-N 3.1Å; E439-V443 VanDerWaalsContact O-N 3.08Å; R440-V443 PolarHBondContact O-N 2.87Å; V443-A445 PolarHBondContact O-N 2.88Å
444	D	93.2	Very high	93.5	Very high	43 Å²	43	54.8 Å²	54.8	23%	0.23	30%	0.304	C	S	.	.			trans	-75.8	114.9	178.1	-173.5	-24.2	0	0	0	111.4	K416 R440 Y446 F447	K416-D444 IonicContact NZ-OD1 2.98Å; R440-D444 PolarHBondContact O-N 3.38Å; D444-Y446 PolarHBondContact O-N 3.23Å; D444-Y446 WeakPolarHBondContact OD1-CB 3.47Å; D444-Y446 PolarHBondContact OD1-N 3.4Å; D444-F447 HydrophobicContact CB-CD2 3.93Å; D444-F447 HydrophobicContact CB-CE2 4.23Å; D444-F447 PolarHBondContact O-N 3.25Å
445	A	93.6	Very high	93.2	Very high	75 Å²	75	56.7 Å²	56.7	62%	0.62	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-59.1	-18.3	-179.7	0	0	0	0	0	114.1	V443 F447 S448	V443-A445 PolarHBondContact O-N 2.88Å; A445-F447 PolarHBondContact O-N 3.37Å; A445-S448 WeakPolarHBondContact O-CB 3.44Å; A445-S448 PolarHBondContact O-N 3.42Å; A445-S448 PolarHBondContact O-OG 3.12Å
446	Y	92.8	Very high	93.1	Very high	54 Å²	54	62.6 Å²	62.6	21%	0.212	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-61.2	-33.7	173.7	-179	-95.9	0	0	0	112.5	M403 S409 C413 K416 D444	M403-Y446 HydrophobicContact CE-CD1 3.99Å; M403-Y446 HydrophobicContact CE-CE1 3.64Å; M403-Y446 WeakPolarHBondContact CE-O 3.41Å; S409-Y446 PolarHBondContact O-OH 3.4Å; C413-Y446 WeakPolarHBondContact CA-OH 3.32Å; C413-Y446 HydrophobicContact CB-CE1 3.92Å; C413-Y446 WeakPolarHBondContact CB-OH 3.36Å; C413-Y446 PolarHBondContact N-OH 3.36Å; C413-Y446 VanDerWaalsContact N-OH 3.1Å; K416-Y446 HydrophobicContact CD-CD1 3.66Å; K416-Y446 HydrophobicContact CD-CD2 3.76Å; K416-Y446 HydrophobicContact CD-CE1 4.07Å; K416-Y446 HydrophobicContact CD-CE2 4.15Å; K416-Y446 HydrophobicContact CD-CG 3.49Å; K416-Y446 VanDerWaalsContact CD-CG 3.49Å; K416-Y446 VanDerWaalsContact NZ-CB 3.34Å; D444-Y446 PolarHBondContact O-N 3.23Å; D444-Y446 WeakPolarHBondContact OD1-CB 3.47Å; D444-Y446 PolarHBondContact OD1-N 3.4Å
447	F	93.6	Very high	92.9	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-92	6.7	-177.5	-58.1	-80.6	0	0	0	113.6	I399 M403 K416 I417 L420 I441 D444 A445 P449 I450 H451	I399-F447 HydrophobicContact CG2-CD1 4.5Å; M403-F447 HydrophobicContact CG-CD1 3.97Å; M403-F447 HydrophobicContact CG-CE1 4.41Å; M403-F447 HydrophobicContact SD-CD1 4.17Å; K416-F447 HydrophobicContact CB-CZ 4.15Å; I417-F447 HydrophobicContact CD1-CE1 3.87Å; I417-F447 HydrophobicContact CD1-CZ 4.32Å; I417-F447 HydrophobicContact CG1-CE1 3.62Å; I417-F447 HydrophobicContact CG1-CZ 3.55Å; L420-F447 HydrophobicContact CD1-CE2 3.75Å; L420-F447 HydrophobicContact CD1-CZ 4.4Å; I441-F447 HydrophobicContact CB-CD2 4.42Å; I441-F447 HydrophobicContact CG1-CD2 4.47Å; I441-F447 HydrophobicContact CG1-CE2 4.42Å; I441-F447 HydrophobicContact CG2-CB 3.79Å; I441-F447 HydrophobicContact CG2-CD1 4.24Å; I441-F447 HydrophobicContact CG2-CD2 4Å; I441-F447 HydrophobicContact CG2-CG 3.75Å; D444-F447 HydrophobicContact CB-CD2 3.93Å; D444-F447 HydrophobicContact CB-CE2 4.23Å; D444-F447 PolarHBondContact O-N 3.25Å; A445-F447 PolarHBondContact O-N 3.37Å; F447-P449 VanDerWaalsContact C-N 3.25Å; F447-P449 VanDerWaalsContact O-N 3.09Å; F447-I450 HydrophobicContact CB-CD1 4.3Å; F447-I450 HydrophobicContact CB-CG1 4.03Å; F447-I450 HydrophobicContact CD1-CD1 4.03Å; F447-I450 WeakPolarHBondContact O-CG1 3.16Å; F447-I450 PolarHBondContact O-N 2.97Å; F447-H451 VanDerWaalsContact C-CD2 3.41Å; F447-H451 PolarHBondContact O-CD2 3.34Å; F447-H451 PolarHBondContact O-N 3.19Å; F447-H451 PolarHBondContact O-NE2 3.08Å
448	S	93.2	Very high	92.8	Very high	66 Å²	66	63.8 Å²	63.8	46%	0.462	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-47.3	-37.7	177.5	-65.9	0	0	0	0	115.2	A445 I450 H451	A445-S448 WeakPolarHBondContact O-CB 3.44Å; A445-S448 PolarHBondContact O-N 3.42Å; A445-S448 PolarHBondContact O-OG 3.12Å; S448-I450 PolarHBondContact O-N 3.46Å; S448-H451 PolarHBondContact O-N 2.94Å
449	P	93.8	Very high	92.8	Very high	68 Å²	68	65.3 Å²	65.3	44%	0.442	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-63	-22.1	178.2	-24.2	35.5	0	0	0	115.2	M403 A406 F447	M403-P449 HydrophobicContact CE-CG 4.42Å; M403-P449 HydrophobicContact SD-CB 4.44Å; M403-P449 HydrophobicContact SD-CG 4.48Å; A406-P449 HydrophobicContact CB-CB 3.78Å; F447-P449 VanDerWaalsContact C-N 3.25Å; F447-P449 VanDerWaalsContact O-N 3.09Å
450	I	92.5	Very high	92.7	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-113.9	-1.5	-176	63.5	157.1	0	0	0	113.6	I399 A402 M403 F447 S448 S452 Q453 L454	I399-I450 HydrophobicContact CG2-CD1 3.49Å; I399-I450 VanDerWaalsContact CG2-CD1 3.49Å; A402-I450 HydrophobicContact CB-CG2 3.81Å; M403-I450 HydrophobicContact CG-CD1 3.85Å; M403-I450 HydrophobicContact CG-CG1 4.16Å; M403-I450 HydrophobicContact CG-CG2 4.06Å; M403-I450 HydrophobicContact SD-CB 4.27Å; M403-I450 HydrophobicContact SD-CD1 4.09Å; M403-I450 HydrophobicContact SD-CG1 3.72Å; M403-I450 HydrophobicContact SD-CG2 3.65Å; F447-I450 HydrophobicContact CB-CD1 4.3Å; F447-I450 HydrophobicContact CB-CG1 4.03Å; F447-I450 HydrophobicContact CD1-CD1 4.03Å; F447-I450 WeakPolarHBondContact O-CG1 3.16Å; F447-I450 PolarHBondContact O-N 2.97Å; S448-I450 PolarHBondContact O-N 3.46Å; I450-S452 VanDerWaalsContact C-N 3.26Å; I450-S452 PolarHBondContact O-N 3.27Å; I450-Q453 WeakPolarHBondContact O-CA 3.44Å; I450-Q453 WeakPolarHBondContact O-CB 3.32Å; I450-Q453 PolarHBondContact O-N 3.49Å; I450-L454 HydrophobicContact CD1-CD2 4.15Å; I450-L454 PolarHBondContact O-N 2.76Å
451	H	91.9	Very high	92.7	Very high	57 Å²	57	60.8 Å²	60.8	26%	0.264	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-54	-41.4	-177.7	-73.8	175	0	0	0	112.7	I441 Q442 F447 S448 Q453 L454	I441-H451 PolarHBondContact O-NE2 3.03Å; Q442-H451 PolarHBondContact O-CE1 2.92Å; Q442-H451 PolarHBondContact O-NE2 3.47Å; F447-H451 VanDerWaalsContact C-CD2 3.41Å; F447-H451 PolarHBondContact O-CD2 3.34Å; F447-H451 PolarHBondContact O-N 3.19Å; F447-H451 PolarHBondContact O-NE2 3.08Å; S448-H451 PolarHBondContact O-N 2.94Å; H451-Q453 PolarHBondContact O-N 3.23Å; H451-L454 PolarHBondContact O-N 2.73Å
452	S	92	Very high	92.7	Very high	111 Å²	111	64 Å²	64	78%	0.776	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-70.9	-13.2	176.9	59.1	0	0	0	0	114.4	I450	I450-S452 VanDerWaalsContact C-N 3.26Å; I450-S452 PolarHBondContact O-N 3.27Å
453	Q	91.6	Very high	92.8	Very high	80 Å²	80	60.4 Å²	60.4	37%	0.374	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-100	-11.3	-178.9	-59.6	175.6	41.1	0	0	112.4	I450 H451 D455 H456 L457	I450-Q453 WeakPolarHBondContact O-CA 3.44Å; I450-Q453 WeakPolarHBondContact O-CB 3.32Å; I450-Q453 PolarHBondContact O-N 3.49Å; H451-Q453 PolarHBondContact O-N 3.23Å; Q453-D455 VanDerWaalsContact C-N 3.33Å; Q453-D455 PolarHBondContact O-N 2.79Å; Q453-H456 PolarHBondContact O-N 3.24Å; Q453-L457 HydrophobicContact CB-CD1 3.95Å; Q453-L457 HydrophobicContact CB-CG 4.19Å; Q453-L457 WeakPolarHBondContact O-CG 3.47Å; Q453-L457 PolarHBondContact O-N 3.1Å
454	L	89.4	Confident	92.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-57.1	-42.5	-172.4	-72.8	174.8	0	0	0	113	I441 Q442 I450 H451 H456 L457 L458	I441-L454 HydrophobicContact CG2-CD1 4.13Å; I441-L454 HydrophobicContact CG2-CD2 4.08Å; Q442-L454 HydrophobicContact CG-CD1 3.57Å; I450-L454 HydrophobicContact CD1-CD2 4.15Å; I450-L454 PolarHBondContact O-N 2.76Å; H451-L454 PolarHBondContact O-N 2.73Å; L454-H456 VanDerWaalsContact C-N 3.28Å; L454-H456 PolarHBondContact O-N 3.16Å; L454-L457 PolarHBondContact O-N 3.16Å; L454-L458 WeakPolarHBondContact O-CB 3.01Å; L454-L458 WeakPolarHBondContact O-CD1 3.35Å; L454-L458 VanDerWaalsContact O-CG 3.23Å; L454-L458 WeakPolarHBondContact O-CG 3.45Å; L454-L458 PolarHBondContact O-N 3.48Å
455	D	90.3	Very high	93	Very high	139 Å²	139	56.3 Å²	56.3	74%	0.743	34%	0.344	S	S	*	.	H	α-helix	trans	-60.7	-39.3	177.8	-68	-26.6	0	0	0	112.1	Q453 D459	Q453-D455 VanDerWaalsContact C-N 3.33Å; Q453-D455 PolarHBondContact O-N 2.79Å; D455-D459 PolarHBondContact O-N 3.39Å
456	H	92.2	Very high	93.2	Very high	142 Å²	142	59.6 Å²	59.6	66%	0.657	34%	0.34	S	S	*	.	H	α-helix	trans	-74.9	-40.3	178	-177.8	56.5	0	0	0	112.1	Q453 L454 L458 D459	Q453-H456 PolarHBondContact O-N 3.24Å; L454-H456 VanDerWaalsContact C-N 3.28Å; L454-H456 PolarHBondContact O-N 3.16Å; H456-L458 PolarHBondContact O-N 3.46Å; H456-D459 WeakPolarHBondContact O-CB 3.42Å; H456-D459 PolarHBondContact O-N 3.5Å; H456-D459 VanDerWaalsContact O-N 3.16Å
457	L	91.4	Very high	93.4	Very high	26 Å²	26	57.2 Å²	57.2	14%	0.136	33%	0.332	C	S	.	.	H	α-helix	trans	-66.6	-20.1	178	-68.7	172.6	0	0	0	112.8	A402 Q453 L454 F463	A402-L457 HydrophobicContact CB-CD1 3.69Å; A402-L457 HydrophobicContact CB-CD2 4.13Å; Q453-L457 HydrophobicContact CB-CD1 3.95Å; Q453-L457 HydrophobicContact CB-CG 4.19Å; Q453-L457 WeakPolarHBondContact O-CG 3.47Å; Q453-L457 PolarHBondContact O-N 3.1Å; L454-L457 PolarHBondContact O-N 3.16Å; L457-F463 WeakPolarHBondContact O-CE2 3.48Å; L457-F463 WeakPolarHBondContact O-CZ 3.32Å
458	L	92.5	Very high	93.6	Very high	29 Å²	29	59.2 Å²	59.2	15%	0.152	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	10.5	177.3	-63.4	167	0	0	0	112.7	L391 A395 I438 L454 H456 P460	L391-L458 WeakPolarHBondContact CD2-O 3.37Å; A395-L458 HydrophobicContact CB-CD2 3.57Å; I438-L458 HydrophobicContact CB-CD1 4.5Å; I438-L458 HydrophobicContact CD1-CD1 3.59Å; I438-L458 HydrophobicContact CD1-CD2 3.93Å; I438-L458 HydrophobicContact CD1-CG 4.35Å; I438-L458 HydrophobicContact CG1-CD1 3.7Å; I438-L458 HydrophobicContact CG2-CD1 3.97Å; L454-L458 WeakPolarHBondContact O-CB 3.01Å; L454-L458 WeakPolarHBondContact O-CD1 3.35Å; L454-L458 VanDerWaalsContact O-CG 3.23Å; L454-L458 WeakPolarHBondContact O-CG 3.45Å; L454-L458 PolarHBondContact O-N 3.48Å; H456-L458 PolarHBondContact O-N 3.46Å; L458-P460 WeakPolarHBondContact O-CD 3.48Å; L458-P460 VanDerWaalsContact O-N 3.15Å
459	D	93.8	Very high	93.9	Very high	58 Å²	58	61.4 Å²	61.4	31%	0.31	35%	0.349	S	S	.	.			trans	-64.8	113.7	175.9	175.7	11.3	0	0	0	110	D455 H456 S461 S462 F463	D455-D459 PolarHBondContact O-N 3.39Å; H456-D459 WeakPolarHBondContact O-CB 3.42Å; H456-D459 PolarHBondContact O-N 3.5Å; H456-D459 VanDerWaalsContact O-N 3.16Å; D459-S461 VanDerWaalsContact CG-OG 3.22Å; D459-S461 PolarHBondContact O-N 2.9Å; D459-S461 WeakPolarHBondContact OD1-CB 3.12Å; D459-S461 PolarHBondContact OD1-N 2.97Å; D459-S461 PolarHBondContact OD1-OG 3.06Å; D459-S461 PolarHBondContact OD2-OG 2.85Å; D459-S462 PolarHBondContact O-N 3.03Å; D459-S462 VanDerWaalsContact O-N 3.12Å; D459-S462 PolarHBondContact O-OG 3.3Å; D459-F463 WeakPolarHBondContact O-CD2 3.39Å
460	P	94.1	Very high	94.1	Very high	40 Å²	40	61.9 Å²	61.9	26%	0.26	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-56.9	-27.2	-178.5	-25.7	36.3	0	0	0	113.8	P153 L165 I387 L391 L458 S462 F463	P153-P460 HydrophobicContact CB-CB 4.09Å; P153-P460 HydrophobicContact CG-CB 4.25Å; L165-P460 HydrophobicContact CD1-CB 3.88Å; I387-P460 HydrophobicContact CG2-CB 4.06Å; I387-P460 HydrophobicContact CG2-CG 3.89Å; L391-P460 HydrophobicContact CD2-CB 4.42Å; L391-P460 HydrophobicContact CD2-CG 4.05Å; L458-P460 WeakPolarHBondContact O-CD 3.48Å; L458-P460 VanDerWaalsContact O-N 3.15Å; P460-S462 PolarHBondContact O-N 3.07Å; P460-F463 PolarHBondContact O-N 3.37Å
461	S	93.6	Very high	94.4	Very high	64 Å²	64	62 Å²	62	45%	0.448	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-60.3	-36.8	-178.6	85.8	0	0	0	0	111.6	D459 F463 T464	D459-S461 VanDerWaalsContact CG-OG 3.22Å; D459-S461 PolarHBondContact O-N 2.9Å; D459-S461 WeakPolarHBondContact OD1-CB 3.12Å; D459-S461 PolarHBondContact OD1-N 2.97Å; D459-S461 PolarHBondContact OD1-OG 3.06Å; D459-S461 PolarHBondContact OD2-OG 2.85Å; S461-F463 VanDerWaalsContact C-N 3.3Å; S461-F463 PolarHBondContact O-N 2.69Å; S461-T464 PolarHBondContact O-N 3.37Å; S461-T464 PolarHBondContact O-OG1 3.06Å
462	S	93.8	Very high	94.7	Very high	67 Å²	67	64.7 Å²	64.7	47%	0.469	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-71.8	-20.3	-178.5	71.4	0	0	0	0	114	D459 P460	D459-S462 PolarHBondContact O-N 3.03Å; D459-S462 VanDerWaalsContact O-N 3.12Å; D459-S462 PolarHBondContact O-OG 3.3Å; P460-S462 PolarHBondContact O-N 3.07Å
463	F	94.9	Very high	95	Very high	19 Å²	19	66.2 Å²	66.2	8%	0.083	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-91.5	-0.9	-178.7	-70.4	-96.3	0	0	0	113.7	L165 L391 A395 N398 L457 D459 P460 S461 G465	L165-F463 HydrophobicContact CB-CB 4.13Å; L165-F463 HydrophobicContact CD1-CB 3.82Å; L165-F463 HydrophobicContact CG-CB 3.91Å; L391-F463 HydrophobicContact CD1-CB 4.24Å; L391-F463 HydrophobicContact CD1-CD1 3.91Å; L391-F463 HydrophobicContact CD1-CD2 3.86Å; L391-F463 HydrophobicContact CD1-CE1 4.2Å; L391-F463 HydrophobicContact CD1-CE2 4.15Å; L391-F463 HydrophobicContact CD1-CG 3.74Å; L391-F463 HydrophobicContact CD1-CZ 4.31Å; L391-F463 HydrophobicContact CD2-CD2 4.28Å; L391-F463 HydrophobicContact CD2-CE2 4.34Å; L391-F463 HydrophobicContact CG-CD2 4.47Å; L391-F463 HydrophobicContact CG-CE2 4.42Å; A395-F463 HydrophobicContact CB-CE1 4.06Å; A395-F463 HydrophobicContact CB-CZ 3.61Å; N398-F463 VanDerWaalsContact ND2-CZ 3.29Å; N398-F463 WeakPolarHBondContact ND2-CZ 3.3Å; L457-F463 WeakPolarHBondContact O-CE2 3.48Å; L457-F463 WeakPolarHBondContact O-CZ 3.32Å; D459-F463 WeakPolarHBondContact O-CD2 3.39Å; P460-F463 PolarHBondContact O-N 3.37Å; S461-F463 VanDerWaalsContact C-N 3.3Å; S461-F463 PolarHBondContact O-N 2.69Å; F463-G465 VanDerWaalsContact C-N 3.33Å
464	T	96.3	Very high	95.4	Very high	21 Å²	21	63.5 Å²	63.5	13%	0.129	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-87.6	0.3	-178.7	62.9	0	0	0	0	114.1	P153 L165 T167 S461 R466 A467	P153-T464 HydrophobicContact CB-CG2 3.73Å; P153-T464 HydrophobicContact CG-CG2 4.01Å; L165-T464 HydrophobicContact CB-CG2 4.24Å; T167-T464 HydrophobicContact CG2-CG2 3.9Å; S461-T464 PolarHBondContact O-N 3.37Å; S461-T464 PolarHBondContact O-OG1 3.06Å; T464-R466 PolarHBondContact O-N 3.35Å; T464-A467 VanDerWaalsContact O-CB 3.23Å; T464-A467 WeakPolarHBondContact O-CB 3.22Å; T464-A467 PolarHBondContact O-N 3.4Å; T464-A467 VanDerWaalsContact O-N 3.1Å
465	G	96	Very high	95.8	Very high	67 Å²	67	63.6 Å²	63.6	69%	0.691	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	-121.4	177.4	0	0	0	0	0	112.5	F463	F463-G465 VanDerWaalsContact C-N 3.33Å
466	R	97.4	Very high	96.2	Very high	144 Å²	144	62 Å²	62	54%	0.543	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	15.7	-178.8	-60.9	-168.8	65.8	-144.2	-3.3	114.2	T464 S468 Q469 Q470	T464-R466 PolarHBondContact O-N 3.35Å; R466-S468 PolarHBondContact O-N 2.8Å; R466-Q469 VanDerWaalsContact NH2-OE1 3.16Å; R466-Q469 PolarHBondContact O-N 3.41Å; R466-Q470 HydrophobicContact CB-CG 4.28Å; R466-Q470 VanDerWaalsContact O-CG 3.31Å; R466-Q470 WeakPolarHBondContact O-CG 3.24Å; R466-Q470 PolarHBondContact O-N 2.97Å
467	A	97.9	Very high	96.5	Very high	4 Å²	4	60.5 Å²	60.5	3%	0.033	32%	0.316	C	S	.	.	H	α-helix	trans	-54.4	-50.1	-168.3	0	0	0	0	0	113.8	T167 K170 T464 Q470 V471	T167-A467 HydrophobicContact CG2-CB 3.7Å; K170-A467 HydrophobicContact CB-CB 3.99Å; K170-A467 HydrophobicContact CG-CB 4.25Å; T464-A467 VanDerWaalsContact O-CB 3.23Å; T464-A467 WeakPolarHBondContact O-CB 3.22Å; T464-A467 PolarHBondContact O-N 3.4Å; T464-A467 VanDerWaalsContact O-N 3.1Å; A467-Q470 PolarHBondContact O-N 3.06Å; A467-V471 VanDerWaalsContact O-CG2 3.31Å; A467-V471 WeakPolarHBondContact O-CG2 3.3Å; A467-V471 PolarHBondContact O-N 3.25Å
468	S	97.8	Very high	96.8	Very high	42 Å²	42	64.1 Å²	64.1	29%	0.294	33%	0.332	S	S	.	.	H	α-helix	trans	-65.9	-40.5	-178.5	56.1	0	0	0	0	113.1	R466 Q470 V471 Q472	R466-S468 PolarHBondContact O-N 2.8Å; S468-Q470 VanDerWaalsContact C-N 3.34Å; S468-Q470 PolarHBondContact O-N 3.36Å; S468-V471 WeakPolarHBondContact O-CB 3.35Å; S468-V471 PolarHBondContact O-N 2.94Å; S468-Q472 PolarHBondContact O-N 3.01Å; S468-Q472 VanDerWaalsContact O-N 3.13Å
469	Q	98.3	Very high	97.1	Very high	111 Å²	111	62.8 Å²	62.8	52%	0.519	33%	0.325	S	S	.	.	H	α-helix	trans	-64.3	-39.4	175.3	-65.8	-179.6	-1.9	0	0	111.9	R466 V471 Q472 R473	R466-Q469 VanDerWaalsContact NH2-OE1 3.16Å; R466-Q469 PolarHBondContact O-N 3.41Å; Q469-V471 VanDerWaalsContact C-N 3.35Å; Q469-Q472 PolarHBondContact O-N 3.32Å; Q469-R473 WeakPolarHBondContact O-CB 3.37Å; Q469-R473 PolarHBondContact O-N 3.35Å
470	Q	98.6	Very high	97.3	Very high	78 Å²	78	63.8 Å²	63.8	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-63.8	-41.2	176.3	-73.2	171.1	-15.9	0	0	111.5	K170 R466 A467 S468 F474	K170-Q470 HydrophobicContact CD-CB 4.41Å; R466-Q470 HydrophobicContact CB-CG 4.28Å; R466-Q470 VanDerWaalsContact O-CG 3.31Å; R466-Q470 WeakPolarHBondContact O-CG 3.24Å; R466-Q470 PolarHBondContact O-N 2.97Å; A467-Q470 PolarHBondContact O-N 3.06Å; S468-Q470 VanDerWaalsContact C-N 3.34Å; S468-Q470 PolarHBondContact O-N 3.36Å; Q470-F474 VanDerWaalsContact O-CB 3.24Å; Q470-F474 WeakPolarHBondContact O-CB 3.29Å; Q470-F474 PolarHBondContact O-N 3.47Å
471	V	98.6	Very high	97.5	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.012	34%	0.336	C	S	.	.	H	α-helix	trans	-58.3	-53.2	175.6	172.2	0	0	0	0	110.1	A146 A150 K170 A467 S468 Q469 R473 F474 L475	A146-V471 HydrophobicContact CB-CG1 4.45Å; A150-V471 HydrophobicContact CB-CB 4.17Å; A150-V471 HydrophobicContact CB-CG1 3.86Å; A150-V471 HydrophobicContact CB-CG2 4.45Å; K170-V471 HydrophobicContact CB-CG2 3.94Å; A467-V471 VanDerWaalsContact O-CG2 3.31Å; A467-V471 WeakPolarHBondContact O-CG2 3.3Å; A467-V471 PolarHBondContact O-N 3.25Å; S468-V471 WeakPolarHBondContact O-CB 3.35Å; S468-V471 PolarHBondContact O-N 2.94Å; Q469-V471 VanDerWaalsContact C-N 3.35Å; V471-R473 PolarHBondContact O-N 3Å; V471-F474 PolarHBondContact O-N 3.4Å; V471-L475 HydrophobicContact CG1-CD1 3.88Å; V471-L475 HydrophobicContact CG1-CG 4.35Å; V471-L475 WeakPolarHBondContact O-CB 3.26Å; V471-L475 VanDerWaalsContact O-CG 3.27Å; V471-L475 WeakPolarHBondContact O-CG 3.21Å; V471-L475 PolarHBondContact O-N 3.33Å
472	Q	98.4	Very high	97.7	Very high	114 Å²	114	64.4 Å²	64.4	53%	0.533	33%	0.325	S	S	.	.	H	α-helix	trans	-58.4	-50.5	-178.3	-177.3	175.9	4.4	0	0	111.7	S468 Q469 F474 L475 E476	S468-Q472 PolarHBondContact O-N 3.01Å; S468-Q472 VanDerWaalsContact O-N 3.13Å; Q469-Q472 PolarHBondContact O-N 3.32Å; Q472-F474 PolarHBondContact O-N 2.97Å; Q472-L475 PolarHBondContact O-N 2.92Å; Q472-E476 HydrophobicContact CG-CG 4.48Å; Q472-E476 WeakPolarHBondContact CG-OE1 3.46Å; Q472-E476 PolarHBondContact NE2-OE1 3.47Å; Q472-E476 WeakPolarHBondContact O-CB 3.41Å; Q472-E476 WeakPolarHBondContact O-CG 3.41Å; Q472-E476 PolarHBondContact O-N 2.89Å
473	R	98.6	Very high	97.9	Very high	143 Å²	143	62 Å²	62	54%	0.54	31%	0.307	S	S	.	.	H	α-helix	trans	-59.6	-46.7	-178.5	-171	179.4	-176.8	-161.3	-8.3	112.3	Q469 V471 E476 E477	Q469-R473 WeakPolarHBondContact O-CB 3.37Å; Q469-R473 PolarHBondContact O-N 3.35Å; V471-R473 PolarHBondContact O-N 3Å; R473-E476 PolarHBondContact O-N 3.41Å; R473-E477 HydrophobicContact CG-CG 4.25Å; R473-E477 VanDerWaalsContact CG-OE1 3.23Å; R473-E477 WeakPolarHBondContact CG-OE1 3.34Å; R473-E477 IonicContact CZ-OE1 3.3Å; R473-E477 IonicContact CZ-OE2 3.93Å; R473-E477 IonicContact NE-OE1 2.86Å; R473-E477 PolarHBondContact NE-OE1 3.12Å; R473-E477 IonicContact NE-OE2 3.43Å; R473-E477 PolarHBondContact NE-OE2 3.03Å; R473-E477 IonicContact NH2-OE1 2.94Å; R473-E477 IonicContact NH2-OE2 3.45Å; R473-E477 PolarHBondContact NH2-OE2 3.23Å; R473-E477 WeakPolarHBondContact O-CB 3.37Å; R473-E477 PolarHBondContact O-N 2.96Å
474	F	98.8	Very high	98.1	Very high	23 Å²	23	68.6 Å²	68.6	10%	0.101	34%	0.335	C	S	.	.	H	α-helix	trans	-63.1	-44.1	179.7	170.8	-110.7	0	0	0	112.1	C173 I176 Q177 Q470 V471 Q472 E476 E478 V479	C173-F474 HydrophobicContact CB-CD1 3.89Å; C173-F474 HydrophobicContact CB-CE1 4.04Å; I176-F474 HydrophobicContact CB-CE1 3.95Å; I176-F474 HydrophobicContact CB-CZ 4.38Å; I176-F474 HydrophobicContact CG2-CE1 3.65Å; I176-F474 HydrophobicContact CG2-CZ 3.92Å; Q177-F474 HydrophobicContact CB-CE2 4.25Å; Q177-F474 HydrophobicContact CB-CZ 3.88Å; Q177-F474 HydrophobicContact CG-CE2 4.28Å; Q177-F474 HydrophobicContact CG-CZ 4.39Å; Q470-F474 VanDerWaalsContact O-CB 3.24Å; Q470-F474 WeakPolarHBondContact O-CB 3.29Å; Q470-F474 PolarHBondContact O-N 3.47Å; V471-F474 PolarHBondContact O-N 3.4Å; Q472-F474 PolarHBondContact O-N 2.97Å; F474-E476 VanDerWaalsContact C-N 3.35Å; F474-E476 PolarHBondContact O-N 3.08Å; F474-E478 HydrophobicContact CD2-CB 3.97Å; F474-E478 HydrophobicContact CD2-CG 4.3Å; F474-E478 HydrophobicContact CE2-CB 3.97Å; F474-E478 WeakPolarHBondContact CE2-OE2 3.36Å; F474-E478 PolarHBondContact O-N 2.91Å; F474-V479 HydrophobicContact CD1-CG2 3.9Å; F474-V479 HydrophobicContact CE1-CG2 3.41Å; F474-V479 VanDerWaalsContact CE1-CG2 3.41Å; F474-V479 HydrophobicContact CE2-CG2 4.14Å; F474-V479 HydrophobicContact CG-CG2 4.45Å; F474-V479 HydrophobicContact CZ-CG2 3.54Å; F474-V479 PolarHBondContact O-N 3.23Å
475	L	98.6	Very high	98.2	Very high	3 Å²	3	72 Å²	72	2%	0.016	36%	0.358	C	S	.	.	I	π-helix	trans	-62.6	-42.9	178.6	-68.3	-178.7	0	0	0	111.8	A143 K147 I176 V471 Q472 V479 Y480	A143-L475 HydrophobicContact CB-CD2 3.75Å; K147-L475 HydrophobicContact CB-CD1 3.93Å; I176-L475 HydrophobicContact CD1-CD2 4.31Å; V471-L475 HydrophobicContact CG1-CD1 3.88Å; V471-L475 HydrophobicContact CG1-CG 4.35Å; V471-L475 WeakPolarHBondContact O-CB 3.26Å; V471-L475 VanDerWaalsContact O-CG 3.27Å; V471-L475 WeakPolarHBondContact O-CG 3.21Å; V471-L475 PolarHBondContact O-N 3.33Å; Q472-L475 PolarHBondContact O-N 2.92Å; L475-V479 HydrophobicContact CD2-CB 4.17Å; L475-V479 HydrophobicContact CD2-CG1 4.39Å; L475-V479 HydrophobicContact CD2-CG2 3.96Å; L475-V479 PolarHBondContact O-N 3.03Å; L475-Y480 HydrophobicContact CB-CE1 4.39Å; L475-Y480 HydrophobicContact CB-CE2 3.99Å; L475-Y480 WeakPolarHBondContact O-CD2 3.47Å; L475-Y480 PolarHBondContact O-N 3.23Å
476	E	98.4	Very high	98.2	Very high	104 Å²	104	70.2 Å²	70.2	49%	0.486	33%	0.33	S	S	.	.	I	π-helix	trans	-72.5	-46	-178.7	-70.6	172.4	-173.2	0	0	113.3	Q472 R473 F474 Y480	Q472-E476 HydrophobicContact CG-CG 4.48Å; Q472-E476 WeakPolarHBondContact CG-OE1 3.46Å; Q472-E476 PolarHBondContact NE2-OE1 3.47Å; Q472-E476 WeakPolarHBondContact O-CB 3.41Å; Q472-E476 WeakPolarHBondContact O-CG 3.41Å; Q472-E476 PolarHBondContact O-N 2.89Å; R473-E476 PolarHBondContact O-N 3.41Å; F474-E476 VanDerWaalsContact C-N 3.35Å; F474-E476 PolarHBondContact O-N 3.08Å; E476-Y480 HydrophobicContact CG-CD2 4.4Å; E476-Y480 HydrophobicContact CG-CE2 4.27Å
477	E	98.5	Very high	98.1	Very high	111 Å²	111	70.3 Å²	70.3	52%	0.519	34%	0.337	S	S	.	.	I	π-helix	trans	-82.5	-35.7	-173.7	-68.9	-179.4	-160.8	0	0	113.1	R473	R473-E477 HydrophobicContact CG-CG 4.25Å; R473-E477 VanDerWaalsContact CG-OE1 3.23Å; R473-E477 WeakPolarHBondContact CG-OE1 3.34Å; R473-E477 IonicContact CZ-OE1 3.3Å; R473-E477 IonicContact CZ-OE2 3.93Å; R473-E477 IonicContact NE-OE1 2.86Å; R473-E477 PolarHBondContact NE-OE1 3.12Å; R473-E477 IonicContact NE-OE2 3.43Å; R473-E477 PolarHBondContact NE-OE2 3.03Å; R473-E477 IonicContact NH2-OE1 2.94Å; R473-E477 IonicContact NH2-OE2 3.45Å; R473-E477 PolarHBondContact NH2-OE2 3.23Å; R473-E477 WeakPolarHBondContact O-CB 3.37Å; R473-E477 PolarHBondContact O-N 2.96Å
478	E	98.3	Very high	98	Very high	103 Å²	103	75.5 Å²	75.5	48%	0.481	37%	0.373	S	S	.	.	I	π-helix	trans	-115.8	-38.1	-169.2	-63.6	-176.7	-151.4	0	0	113.7	F474 L482	F474-E478 HydrophobicContact CD2-CB 3.97Å; F474-E478 HydrophobicContact CD2-CG 4.3Å; F474-E478 HydrophobicContact CE2-CB 3.97Å; F474-E478 WeakPolarHBondContact CE2-OE2 3.36Å; F474-E478 PolarHBondContact O-N 2.91Å; E478-L482 WeakPolarHBondContact O-CD1 3.35Å; E478-L482 WeakPolarHBondContact O-CG 3.36Å
479	V	98.5	Very high	97.9	Very high	0 Å²	0	76 Å²	76	0%	0	38%	0.375	C	S	.	.	I	π-helix	trans	-86.3	-57.6	-171.7	-176.4	0	0	0	0	112.4	I139 A143 I176 F474 L475 P481 L482 L483	I139-V479 HydrophobicContact CG2-CG1 3.64Å; A143-V479 HydrophobicContact CB-CG1 4.22Å; I176-V479 HydrophobicContact CG2-CG1 4.14Å; I176-V479 HydrophobicContact CG2-CG2 3.63Å; F474-V479 HydrophobicContact CD1-CG2 3.9Å; F474-V479 HydrophobicContact CE1-CG2 3.41Å; F474-V479 VanDerWaalsContact CE1-CG2 3.41Å; F474-V479 HydrophobicContact CE2-CG2 4.14Å; F474-V479 HydrophobicContact CG-CG2 4.45Å; F474-V479 HydrophobicContact CZ-CG2 3.54Å; F474-V479 PolarHBondContact O-N 3.23Å; L475-V479 HydrophobicContact CD2-CB 4.17Å; L475-V479 HydrophobicContact CD2-CG1 4.39Å; L475-V479 HydrophobicContact CD2-CG2 3.96Å; L475-V479 PolarHBondContact O-N 3.03Å; V479-P481 VanDerWaalsContact C-CD 3.45Å; V479-P481 VanDerWaalsContact C-N 3.34Å; V479-L482 WeakPolarHBondContact O-CB 3.45Å; V479-L482 PolarHBondContact O-N 3.11Å; V479-L483 HydrophobicContact CG1-CD1 4.01Å; V479-L483 HydrophobicContact CG1-CG 4.3Å; V479-L483 PolarHBondContact O-N 3.08Å
480	Y	98.3	Very high	97.6	Very high	80 Å²	80	71.8 Å²	71.8	31%	0.314	36%	0.355	S	S	.	.	H	α-helix	trans	-58.2	-37.2	-175.7	-60.9	-31.6	0	0	0	114.2	A143 L475 E476 L482 L483 K484	A143-Y480 HydrophobicContact CB-CE1 4.47Å; L475-Y480 HydrophobicContact CB-CE1 4.39Å; L475-Y480 HydrophobicContact CB-CE2 3.99Å; L475-Y480 WeakPolarHBondContact O-CD2 3.47Å; L475-Y480 PolarHBondContact O-N 3.23Å; E476-Y480 HydrophobicContact CG-CD2 4.4Å; E476-Y480 HydrophobicContact CG-CE2 4.27Å; Y480-L482 VanDerWaalsContact C-N 3.3Å; Y480-L482 PolarHBondContact O-N 3.41Å; Y480-L483 PolarHBondContact O-N 3.32Å; Y480-K484 PolarHBondContact O-N 3.28Å; Y480-K484 VanDerWaalsContact O-N 3.17Å
481	P	98.6	Very high	97.3	Very high	73 Å²	73	77 Å²	77	47%	0.474	38%	0.377	S	S	.	.	H	α-helix	trans	-59.1	-38.3	173.7	-27	37.6	0	0	0	113.6	V479 L483	V479-P481 VanDerWaalsContact C-CD 3.45Å; V479-P481 VanDerWaalsContact C-N 3.34Å; P481-L483 VanDerWaalsContact C-N 3.34Å
482	L	97.9	Very high	96.9	Very high	44 Å²	44	80.8 Å²	80.8	23%	0.23	40%	0.399	C	S	.	.	H	α-helix	trans	-71.3	-28.3	178.6	-65.6	175.8	0	0	0	112.9	C180 L183 Q184 E478 V479 Y480 P485	C180-L482 HydrophobicContact CB-CD1 3.85Å; L183-L482 HydrophobicContact CD2-CB 4.23Å; Q184-L482 HydrophobicContact CG-CD1 4.24Å; Q184-L482 HydrophobicContact CG-CD2 3.99Å; E478-L482 WeakPolarHBondContact O-CD1 3.35Å; E478-L482 WeakPolarHBondContact O-CG 3.36Å; V479-L482 WeakPolarHBondContact O-CB 3.45Å; V479-L482 PolarHBondContact O-N 3.11Å; Y480-L482 VanDerWaalsContact C-N 3.3Å; Y480-L482 PolarHBondContact O-N 3.41Å; L482-P485 WeakPolarHBondContact O-CD 3.39Å
483	L	98	Very high	96.3	Very high	16 Å²	16	83.1 Å²	83.1	8%	0.084	41%	0.408	C	S	.	.	H	α-helix	trans	-83.3	-22.8	-179.3	-62.6	-173.8	0	0	0	113.6	A136 I139 V479 Y480 P481 P485 Y486 M490	A136-L483 HydrophobicContact CB-CD2 4.1Å; A136-L483 WeakPolarHBondContact O-CD2 3.29Å; I139-L483 HydrophobicContact CB-CD2 4.04Å; I139-L483 HydrophobicContact CG2-CD1 4.21Å; I139-L483 HydrophobicContact CG2-CD2 3.75Å; I139-L483 HydrophobicContact CG2-CG 4.28Å; V479-L483 HydrophobicContact CG1-CD1 4.01Å; V479-L483 HydrophobicContact CG1-CG 4.3Å; V479-L483 PolarHBondContact O-N 3.08Å; Y480-L483 PolarHBondContact O-N 3.32Å; P481-L483 VanDerWaalsContact C-N 3.34Å; L483-P485 VanDerWaalsContact C-CD 3.41Å; L483-P485 VanDerWaalsContact C-N 3.35Å; L483-Y486 PolarHBondContact O-N 2.95Å; L483-M490 HydrophobicContact CB-CE 4.05Å; L483-M490 HydrophobicContact CD2-CE 4.06Å; L483-M490 HydrophobicContact CG-CE 4.46Å
484	K	97.9	Very high	95.7	Very high	157 Å²	157	76.8 Å²	76.8	68%	0.683	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-50.7	-41.7	-176.4	-167.4	174.3	-173.9	176.3	0	114.5	Y480 Y486 E487	Y480-K484 PolarHBondContact O-N 3.28Å; Y480-K484 VanDerWaalsContact O-N 3.17Å; K484-Y486 PolarHBondContact O-N 3.07Å; K484-Y486 VanDerWaalsContact O-N 3.14Å; K484-E487 PolarHBondContact O-N 3.07Å
485	P	98	Very high	94.9	Very high	92 Å²	92	83.8 Å²	83.8	60%	0.597	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-64.6	-16.4	177.9	-22.3	35.5	0	0	0	114.8	L482 L483	L482-P485 WeakPolarHBondContact O-CD 3.39Å; L483-P485 VanDerWaalsContact C-CD 3.41Å; L483-P485 VanDerWaalsContact C-N 3.35Å
486	Y	97.9	Very high	94	Very high	30 Å²	30	85.1 Å²	85.1	12%	0.118	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-109.2	7	-172.9	-57.1	-77.5	0	0	0	113.3	L132 P133 A136 L183 L483 K484 S488 V489 M490	L132-Y486 HydrophobicContact CB-CE1 4Å; P133-Y486 HydrophobicContact CB-CD1 4.27Å; A136-Y486 HydrophobicContact CB-CD1 4.29Å; A136-Y486 HydrophobicContact CB-CD2 3.59Å; A136-Y486 HydrophobicContact CB-CE2 4.15Å; A136-Y486 HydrophobicContact CB-CG 3.67Å; L183-Y486 HydrophobicContact CD1-CE2 4.31Å; L183-Y486 HydrophobicContact CD2-CE2 4.38Å; L483-Y486 PolarHBondContact O-N 2.95Å; K484-Y486 PolarHBondContact O-N 3.07Å; K484-Y486 VanDerWaalsContact O-N 3.14Å; Y486-S488 PolarHBondContact O-N 2.71Å; Y486-S488 VanDerWaalsContact O-N 3.16Å; Y486-V489 WeakPolarHBondContact O-CG2 3.49Å; Y486-V489 PolarHBondContact O-N 3.37Å; Y486-M490 WeakPolarHBondContact O-CG 3.2Å
487	E	95.1	Very high	92.8	Very high	147 Å²	147	85.9 Å²	85.9	69%	0.687	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-54.1	-38.9	-173.6	-168.8	175.5	177.5	0	0	113.1	K484 V489 M490	K484-E487 PolarHBondContact O-N 3.07Å; E487-V489 PolarHBondContact O-N 3.04Å; E487-M490 PolarHBondContact O-N 3.02Å
488	S	95.9	Very high	91.2	Very high	112 Å²	112	85.4 Å²	85.4	78%	0.783	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-63.8	-22.7	179.8	59.7	0	0	0	0	114.3	Y486	Y486-S488 PolarHBondContact O-N 2.71Å; Y486-S488 VanDerWaalsContact O-N 3.16Å
489	V	94.6	Very high	90.9	Very high	54 Å²	54	84.5 Å²	84.5	33%	0.327	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-111.4	12.1	-175.9	-62.5	0	0	0	0	113.3	P133 R137 Y486 E487 K491	P133-V489 HydrophobicContact CB-CG2 3.83Å; R137-V489 WeakPolarHBondContact CD-O 3.46Å; R137-V489 PolarHBondContact NH1-O 2.98Å; Y486-V489 WeakPolarHBondContact O-CG2 3.49Å; Y486-V489 PolarHBondContact O-N 3.37Å; E487-V489 PolarHBondContact O-N 3.04Å; V489-K491 PolarHBondContact O-N 3.08Å
490	M	92.4	Very high	90.5	Very high	21 Å²	21	88.9 Å²	88.9	10%	0.103	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-20.8	-176.2	-75.2	-62.8	174.1	0	0	115	A136 R137 R141 L483 Y486 E487	A136-M490 HydrophobicContact CB-CE 3.99Å; R137-M490 HydrophobicContact CG-SD 3.98Å; R141-M490 PolarHBondContact NH1-O 3.47Å; R141-M490 VanDerWaalsContact NH1-O 3.14Å; R141-M490 PolarHBondContact NH2-O 3.38Å; L483-M490 HydrophobicContact CB-CE 4.05Å; L483-M490 HydrophobicContact CD2-CE 4.06Å; L483-M490 HydrophobicContact CG-CE 4.46Å; Y486-M490 WeakPolarHBondContact O-CG 3.2Å; E487-M490 PolarHBondContact O-N 3.02Å
491	K	91.3	Very high	90.1	Very high	189 Å²	189	89.4 Å²	89.4	82%	0.822	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-7.8	-174.1	-61.3	-60.5	-176.8	-174.2	0	114.4	V489 K493	V489-K491 PolarHBondContact O-N 3.08Å; K491-K493 PolarHBondContact O-N 3.02Å
492	V	91.4	Very high	89.6	Confident	81 Å²	81	90.4 Å²	90.4	49%	0.491	47%	0.471	S	S	.	.			trans	-66.9	126.2	176.9	-176.5	0	0	0	0	109.6	R137 R141 Q370	R137-V492 WeakPolarHBondContact CD-O 3.37Å; R141-V492 PolarHBondContact NH2-O 3.19Å; Q370-V492 PolarHBondContact NE2-O 3.07Å
493	K	86.1	Confident	89	Confident	163 Å²	163	93.3 Å²	93.3	71%	0.709	49%	0.486	S	S	*	.			trans	-86.4	153.4	176.5	-69.1	-169.7	175.1	-174	0	111.3	K491	K491-K493 PolarHBondContact O-N 3.02Å
494	A	84.3	Confident	88.4	Confident	10 Å²	10	98.5 Å²	98.5	8%	0.083	51%	0.513	C	S	.	.			trans	-90.2	111.4	172.9	0	0	0	0	0	110.7	N367 Q370 N371 E374	N367-A494 WeakPolarHBondContact O-CB 3.42Å; Q370-A494 HydrophobicContact CB-CB 3.74Å; Q370-A494 HydrophobicContact CG-CB 3.7Å; N371-A494 HydrophobicContact CB-CB 3.97Å; N371-A494 PolarHBondContact ND2-O 2.76Å; E374-A494 PolarHBondContact OE2-N 3.4Å
495	E	82	Confident	87.8	Confident	169 Å²	169	94.3 Å²	94.3	79%	0.79	50%	0.501	S	S	*	.			trans	-88.2	132.5	172.9	-64.5	-175.9	177.7	0	0	110
496	L	79.6	Confident	87	Confident	32 Å²	32	94.5 Å²	94.5	17%	0.168	49%	0.493	C	S	.	.			trans	-117.2	124.3	168.7	-69.9	-179.8	0	0	0	107.8	R300 T368 N371	R300-L496 HydrophobicContact CG-CD1 4.34Å; T368-L496 HydrophobicContact CG2-CD1 4.22Å; N371-L496 HydrophobicContact CB-CD1 3.69Å; N371-L496 HydrophobicContact CB-CG 3.91Å; N371-L496 VanDerWaalsContact CG-CD1 3.43Å; N371-L496 WeakPolarHBondContact OD1-CD1 3.41Å
497	C	73.5	Confident	86.1	Confident	120 Å²	120	99.8 Å²	99.8	81%	0.811	53%	0.525	S	S	*	.			trans	-91.3	-5.3	177.1	-58.1	0	0	0	0	112.7
498	L	66.6	Low	85.2	Confident	100 Å²	100	95.5 Å²	95.5	52%	0.524	51%	0.51	S	S	.	.			trans	-153.7	0	-162.6	-58.8	163	0	0	0	114.4	R20 R303	R20-L498 HydrophobicContact CB-CD1 4.44Å; R20-L498 HydrophobicContact CG-CD1 3.59Å; R20-L498 WeakPolarHBondContact O-CD1 3.33Å; R303-L498 VanDerWaalsContact CZ-O 3.31Å; R303-L498 PolarHBondContact NH1-O 3.32Å; R303-L498 PolarHBondContact NH2-O 3.48Å

Retrieved 498 of 498 residues in 409.5 ms (Link to these results)

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