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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 (P30566), UniProt , Accession X5D8S6, Species HUMAN (Homo sapiens, Human), Gene ADSL, Length 484 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	31.9	Very low	58.5	Low	242 Å²	242	106.6 Å²	106.6	100%	1.192	69%	0.692	S	S	*	*				0	121	0	-80	-163.5	-85.3	0	0	107	A3	M1-A3 PolarHBondContact O-N 3.01Å
2	A	29.9	Very low	61.6	Low	104 Å²	104	104.8 Å²	104.8	86%	0.86	68%	0.684	S	S	*	*			trans	-59.8	119.5	-177.7	0	0	0	0	0	110.7	G4	A2-G4 PolarHBondContact O-N 3.39Å
3	A	31.5	Very low	64.3	Low	91 Å²	91	110.3 Å²	110.3	75%	0.752	68%	0.684	S	S	*	*			trans	-80.2	96.7	159.8	0	0	0	0	0	106.4	M1 G5	M1-A3 PolarHBondContact O-N 3.01Å; A3-G5 PolarHBondContact O-N 3.44Å
4	G	32.6	Very low	66.5	Low	70 Å²	70	108.9 Å²	108.9	72%	0.722	66%	0.66	S	S	*	*			trans	-65.3	80.5	174.7	0	0	0	0	0	111	A2	A2-G4 PolarHBondContact O-N 3.39Å
5	G	46.2	Very low	68.5	Low	43 Å²	43	103.8 Å²	103.8	44%	0.443	63%	0.631	S	S	.	*			trans	-62.2	141.1	158.8	0	0	0	0	0	108.4	A3 H7	A3-G5 PolarHBondContact O-N 3.44Å; G5-H7 VanDerWaalsContact C-N 3.29Å; G5-H7 PolarHBondContact O-CD2 3.11Å; G5-H7 VanDerWaalsContact O-CD2 3.23Å; G5-H7 PolarHBondContact O-N 3.48Å
6	D	55.1	Low	70.4	Confident	160 Å²	160	100.6 Å²	100.6	86%	0.856	61%	0.613	S	S	*	*			trans	-57.1	98.1	168.9	179.5	6.4	0	0	0	108	G8	D6-G8 PolarHBondContact O-N 2.71Å; D6-G8 VanDerWaalsContact O-N 3.11Å; D6-G8 PolarHBondContact OD1-N 3.38Å; D6-G8 VanDerWaalsContact OD1-N 3.08Å
7	H	59.6	Low	72	Confident	113 Å²	113	95.2 Å²	95.2	52%	0.523	58%	0.579	S	S	.	*			trans	-74.3	5.6	-176.7	-68.6	-58.6	0	0	0	111.6	G5 R14	G5-H7 VanDerWaalsContact C-N 3.29Å; G5-H7 PolarHBondContact O-CD2 3.11Å; G5-H7 VanDerWaalsContact O-CD2 3.23Å; G5-H7 PolarHBondContact O-N 3.48Å; H7-R14 WeakPolarHBondContact O-CD 3.35Å; H7-R14 PolarHBondContact O-NH1 2.77Å
8	G	78.6	Confident	73.2	Confident	36 Å²	36	93.2 Å²	93.2	37%	0.371	57%	0.574	S	S	.	*			trans	68.2	163.7	-172.1	0	0	0	0	0	112.4	D6 R14	D6-G8 PolarHBondContact O-N 2.71Å; D6-G8 VanDerWaalsContact O-N 3.11Å; D6-G8 PolarHBondContact OD1-N 3.38Å; D6-G8 VanDerWaalsContact OD1-N 3.08Å; G8-R14 PolarHBondContact O-NH1 3.3Å; G8-R14 VanDerWaalsContact O-NH1 3.09Å
9	S	89.1	Confident	74.4	Confident	65 Å²	65	90.8 Å²	90.8	46%	0.455	56%	0.562	S	S	.	*			trans	-64.1	137.5	179	176.4	0	0	0	0	111.8	D11 R14	S9-D11 PolarHBondContact O-N 3.25Å; S9-D11 WeakPolarHBondContact OG-CB 3.39Å; S9-D11 PolarHBondContact OG-N 3.34Å; S9-D11 VanDerWaalsContact OG-N 3.14Å; S9-D11 PolarHBondContact OG-OD2 3.34Å; S9-R14 WeakPolarHBondContact O-CD 3.28Å; S9-R14 PolarHBondContact O-NE 3Å
10	P	93.2	Very high	75.4	Confident	98 Å²	98	92.5 Å²	92.5	64%	0.636	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-10.7	172.1	31.9	-36.3	0	0	0	113.7	S12	P10-S12 PolarHBondContact O-N 3.46Å
11	D	95.7	Very high	76.5	Confident	151 Å²	151	91.3 Å²	91.3	81%	0.807	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-5.6	-176.1	-55	-25.8	0	0	0	113.3	S9	S9-D11 PolarHBondContact O-N 3.25Å; S9-D11 WeakPolarHBondContact OG-CB 3.39Å; S9-D11 PolarHBondContact OG-N 3.34Å; S9-D11 VanDerWaalsContact OG-N 3.14Å; S9-D11 PolarHBondContact OG-OD2 3.34Å
12	S	95.9	Very high	79.6	Confident	84 Å²	84	80.5 Å²	80.5	59%	0.587	49%	0.492	S	S	*	.	S	Bend	trans	-125.4	157.6	177.1	-179.8	0	0	0	0	111.2	P10 R14	P10-S12 PolarHBondContact O-N 3.46Å; S12-R14 PolarHBondContact O-N 3.13Å
13	Y	96.5	Very high	82.8	Confident	177 Å²	177	76 Å²	76	69%	0.694	46%	0.455	S	S	*	.			trans	-55	134.4	167.5	170.5	-102.4	0	0	0	110.1
14	R	95.4	Very high	85.9	Confident	91 Å²	91	76 Å²	76	34%	0.343	45%	0.447	S	S	.	.			trans	-131	135.5	173.4	-65.8	178.8	-69.9	168.2	1.5	107.6	H7 G8 S9 S12	H7-R14 WeakPolarHBondContact O-CD 3.35Å; H7-R14 PolarHBondContact O-NH1 2.77Å; G8-R14 PolarHBondContact O-NH1 3.3Å; G8-R14 VanDerWaalsContact O-NH1 3.09Å; S9-R14 WeakPolarHBondContact O-CD 3.28Å; S9-R14 PolarHBondContact O-NE 3Å; S12-R14 PolarHBondContact O-N 3.13Å
15	S	97	Very high	89	Confident	32 Å²	32	77.7 Å²	77.7	22%	0.224	44%	0.436	C	S	.	.			trans	-59.3	125.8	174.8	178.6	0	0	0	0	109.3	L17 A18 S19	S15-L17 PolarHBondContact O-N 3.45Å; S15-L17 WeakPolarHBondContact OG-CB 3.21Å; S15-L17 PolarHBondContact OG-N 3.24Å; S15-A18 PolarHBondContact O-N 2.73Å; S15-S19 PolarHBondContact O-N 3.39Å; S15-S19 VanDerWaalsContact O-N 3.08Å; S15-S19 PolarHBondContact O-OG 3.05Å
16	P	97.9	Very high	91.5	Very high	52 Å²	52	75.6 Å²	75.6	34%	0.338	42%	0.415	S	S	.	.	H	α-helix	trans	-64.1	-21.5	177.3	28	-35.4	0	0	0	111.5	A18 R20 Y21	P16-A18 VanDerWaalsContact C-N 3.29Å; P16-A18 PolarHBondContact O-N 3.32Å; P16-R20 WeakPolarHBondContact O-CA 3.5Å; P16-R20 WeakPolarHBondContact O-CB 3.39Å; P16-R20 PolarHBondContact O-N 3.1Å; P16-Y21 HydrophobicContact CB-CD2 4.09Å; P16-Y21 HydrophobicContact CB-CE2 3.78Å; P16-Y21 HydrophobicContact CG-CE2 4.34Å; P16-Y21 VanDerWaalsContact O-CD2 3.26Å; P16-Y21 WeakPolarHBondContact O-CD2 3.48Å; P16-Y21 PolarHBondContact O-N 3.02Å
17	L	97.6	Very high	93.6	Very high	9 Å²	9	69.7 Å²	69.7	5%	0.047	39%	0.386	C	S	.	.	I	π-helix	trans	-58.4	-43.1	172.5	-66.6	172.7	0	0	0	111.2	S15 Y21 A22 L307 E343 L346 T347	S15-L17 PolarHBondContact O-N 3.45Å; S15-L17 WeakPolarHBondContact OG-CB 3.21Å; S15-L17 PolarHBondContact OG-N 3.24Å; L17-Y21 HydrophobicContact CD2-CD2 4.3Å; L17-A22 WeakPolarHBondContact O-CB 3.47Å; L17-A22 PolarHBondContact O-N 2.99Å; L17-L307 HydrophobicContact CD2-CD2 4.35Å; L17-E343 HydrophobicContact CD1-CB 3.8Å; L17-E343 HydrophobicContact CD1-CG 3.72Å; L17-L346 HydrophobicContact CB-CB 4.05Å; L17-L346 HydrophobicContact CB-CD1 4.19Å; L17-L346 HydrophobicContact CD1-CB 4.27Å; L17-L346 HydrophobicContact CD2-CB 4.49Å; L17-T347 WeakPolarHBondContact CD2-OG1 3.44Å
18	A	94.5	Very high	95.4	Very high	59 Å²	59	69.1 Å²	69.1	49%	0.488	38%	0.382	S	S	.	.	I	π-helix	trans	-81.3	-42.3	178.4	0	0	0	0	0	113	S15 P16	S15-A18 PolarHBondContact O-N 2.73Å; P16-A18 VanDerWaalsContact C-N 3.29Å; P16-A18 PolarHBondContact O-N 3.32Å
19	S	94.7	Very high	96.4	Very high	49 Å²	49	68 Å²	68	34%	0.343	37%	0.368	S	S	.	.	I	π-helix	trans	-87	-11.4	-171.2	73.7	0	0	0	0	114.7	S15	S15-S19 PolarHBondContact O-N 3.39Å; S15-S19 VanDerWaalsContact O-N 3.08Å; S15-S19 PolarHBondContact O-OG 3.05Å
20	R	96	Very high	96.9	Very high	124 Å²	124	67 Å²	67	47%	0.468	36%	0.356	S	S	.	.	I	π-helix	trans	-137.1	-33.1	-169.6	-163.5	178.7	169.3	74.2	5.7	114.1	P16 L484	P16-R20 WeakPolarHBondContact O-CA 3.5Å; P16-R20 WeakPolarHBondContact O-CB 3.39Å; P16-R20 PolarHBondContact O-N 3.1Å; R20-L484 HydrophobicContact CB-CD2 4.37Å; R20-L484 HydrophobicContact CG-CD1 3.94Å; R20-L484 HydrophobicContact CG-CD2 3.33Å; R20-L484 HydrophobicContact CG-CG 4.28Å; R20-L484 WeakPolarHBondContact O-CD2 3.34Å
21	Y	97.7	Very high	97.1	Very high	68 Å²	68	63.9 Å²	63.9	27%	0.267	34%	0.336	S	S	.	.	I	π-helix	trans	-117.2	-60.5	-157.6	-68.9	-40.2	0	0	0	115.1	P16 L17 L307 T350 L484	P16-Y21 HydrophobicContact CB-CD2 4.09Å; P16-Y21 HydrophobicContact CB-CE2 3.78Å; P16-Y21 HydrophobicContact CG-CE2 4.34Å; P16-Y21 VanDerWaalsContact O-CD2 3.26Å; P16-Y21 WeakPolarHBondContact O-CD2 3.48Å; P16-Y21 PolarHBondContact O-N 3.02Å; L17-Y21 HydrophobicContact CD2-CD2 4.3Å; Y21-L307 HydrophobicContact CD2-CD2 4.34Å; Y21-L307 HydrophobicContact CE2-CD2 4.34Å; Y21-T350 VanDerWaalsContact C-OG1 3.28Å; Y21-T350 WeakPolarHBondContact CB-OG1 3.36Å; Y21-T350 HydrophobicContact CD1-CG2 4.3Å; Y21-T350 HydrophobicContact CG-CG2 4.16Å; Y21-T350 PolarHBondContact O-OG1 3.4Å; Y21-L484 HydrophobicContact CD1-CD1 4.32Å; Y21-L484 HydrophobicContact CE1-CD1 4.31Å
22	A	97	Very high	97.2	Very high	14 Å²	14	61.1 Å²	61.1	12%	0.116	32%	0.321	C	S	.	.	S	Bend	trans	-75.5	155.8	-169.7	0	0	0	0	0	112.3	L17 L346 T350	L17-A22 WeakPolarHBondContact O-CB 3.47Å; L17-A22 PolarHBondContact O-N 2.99Å; A22-L346 HydrophobicContact CB-CB 3.94Å; A22-L346 HydrophobicContact CB-CD2 3.44Å; A22-L346 VanDerWaalsContact CB-CD2 3.44Å; A22-L346 HydrophobicContact CB-CG 4.3Å; A22-T350 WeakPolarHBondContact CA-OG1 3.48Å; A22-T350 PolarHBondContact N-OG1 3.5Å
23	S	97.3	Very high	97.4	Very high	11 Å²	11	62.6 Å²	62.6	8%	0.077	31%	0.314	C	S	.	.			trans	-70.9	152.8	179.4	86.6	0	0	0	0	112.2	E25 M26 C27 K134 D349	S23-E25 WeakPolarHBondContact CB-OE2 3.38Å; S23-E25 PolarHBondContact O-N 2.88Å; S23-E25 VanDerWaalsContact O-N 3.14Å; S23-E25 PolarHBondContact OG-OE2 3.41Å; S23-M26 PolarHBondContact O-N 3.01Å; S23-M26 VanDerWaalsContact O-N 3.14Å; S23-C27 PolarHBondContact O-N 3.21Å; S23-K134 PolarHBondContact OG-NZ 3.16Å; S23-D349 WeakPolarHBondContact CB-OD2 3.43Å; S23-D349 PolarHBondContact N-OD2 2.95Å; S23-D349 PolarHBondContact OG-OD2 3.4Å
24	P	97.1	Very high	97.5	Very high	91 Å²	91	55.9 Å²	55.9	59%	0.591	29%	0.287	S	S	*	.	H	α-helix	trans	-54.4	-34.4	179	-26.7	35.6	0	0	0	113.4	F28	P24-F28 WeakPolarHBondContact O-CB 3.49Å; P24-F28 PolarHBondContact O-N 3.21Å
25	E	98	Very high	97.6	Very high	104 Å²	104	52.6 Å²	52.6	49%	0.486	28%	0.276	S	S	.	.	H	α-helix	trans	-66.8	-44.6	-179.8	-54.2	73.4	-155.9	0	0	111.5	S23 F28 V29 L130	S23-E25 WeakPolarHBondContact CB-OE2 3.38Å; S23-E25 PolarHBondContact O-N 2.88Å; S23-E25 VanDerWaalsContact O-N 3.14Å; S23-E25 PolarHBondContact OG-OE2 3.41Å; E25-F28 PolarHBondContact O-N 3.44Å; E25-V29 WeakPolarHBondContact O-CG2 3.41Å; E25-V29 PolarHBondContact O-N 3.44Å; E25-L130 HydrophobicContact CB-CD1 4.08Å; E25-L130 HydrophobicContact CB-CD2 4.34Å
26	M	98.5	Very high	97.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-69.2	-40.8	177.7	-168.7	63.8	72.1	0	0	111	S23 F28 V29 F30 A127 L130 L131 F345 L346 D349	S23-M26 PolarHBondContact O-N 3.01Å; S23-M26 VanDerWaalsContact O-N 3.14Å; M26-F28 VanDerWaalsContact C-N 3.28Å; M26-F28 PolarHBondContact O-N 3Å; M26-V29 PolarHBondContact O-N 3.02Å; M26-F30 HydrophobicContact CG-CD2 4.42Å; M26-F30 HydrophobicContact CG-CE2 4.48Å; M26-F30 WeakPolarHBondContact O-CD2 3.25Å; M26-F30 PolarHBondContact O-N 3.08Å; M26-F30 HydrophobicContact SD-CD2 4.2Å; M26-F30 HydrophobicContact SD-CE2 3.81Å; M26-A127 HydrophobicContact CE-CB 4.33Å; M26-A127 HydrophobicContact SD-CB 3.78Å; M26-L130 HydrophobicContact CE-CB 3.68Å; M26-L130 HydrophobicContact CE-CD1 4.03Å; M26-L130 HydrophobicContact SD-CD1 4.2Å; M26-L131 HydrophobicContact CE-CD2 3.65Å; M26-L131 HydrophobicContact CE-CG 3.93Å; M26-F345 HydrophobicContact SD-CB 4Å; M26-L346 HydrophobicContact CB-CD2 4.2Å; M26-L346 HydrophobicContact CG-CD2 3.77Å; M26-L346 HydrophobicContact CG-CG 4.4Å; M26-D349 HydrophobicContact CB-CB 4.09Å; M26-D349 HydrophobicContact CE-CB 4.05Å; M26-D349 WeakPolarHBondContact CE-OD1 3.21Å; M26-D349 HydrophobicContact CG-CB 3.92Å
27	C	98.4	Very high	97.8	Very high	35 Å²	35	52.2 Å²	52.2	24%	0.236	26%	0.263	C	S	.	.	H	α-helix	trans	-58.1	-41	172.4	-71.8	0	0	0	0	111.8	S23 F30 S31	S23-C27 PolarHBondContact O-N 3.21Å; C27-F30 PolarHBondContact O-N 3.36Å; C27-S31 PolarHBondContact O-N 3.49Å; C27-S31 VanDerWaalsContact O-N 3.14Å
28	F	98.5	Very high	97.8	Very high	102 Å²	102	52 Å²	52	45%	0.447	26%	0.262	S	S	.	.	H	α-helix	trans	-66.7	-41.3	178	-179.6	-106.5	0	0	0	112.4	P24 E25 M26 F30 S31 R33 Y34	P24-F28 WeakPolarHBondContact O-CB 3.49Å; P24-F28 PolarHBondContact O-N 3.21Å; E25-F28 PolarHBondContact O-N 3.44Å; M26-F28 VanDerWaalsContact C-N 3.28Å; M26-F28 PolarHBondContact O-N 3Å; F28-F30 PolarHBondContact O-N 3.32Å; F28-S31 VanDerWaalsContact O-CB 3.26Å; F28-S31 WeakPolarHBondContact O-CB 3.5Å; F28-S31 PolarHBondContact O-N 3.16Å; F28-S31 PolarHBondContact O-OG 3.29Å; F28-R33 HydrophobicContact CE2-CG 4.5Å; F28-Y34 HydrophobicContact CD1-CD2 4.16Å; F28-Y34 AromaticContact CE1-CD2 3.53Å; F28-Y34 HydrophobicContact CE1-CD2 3.53Å; F28-Y34 HydrophobicContact CE1-CE2 4.27Å; F28-Y34 HydrophobicContact CE1-CG 4.31Å; F28-Y34 HydrophobicContact CZ-CD2 4.01Å; F28-Y34 WeakPolarHBondContact O-CB 3.38Å
29	V	98.6	Very high	98	Very high	12 Å²	12	49.3 Å²	49.3	7%	0.073	24%	0.239	C	C	.	.	H	α-helix	trans	-58.4	-35	177.8	165.7	0	0	0	0	112.2	E25 M26 Y34 I123 A127 L130	E25-V29 WeakPolarHBondContact O-CG2 3.41Å; E25-V29 PolarHBondContact O-N 3.44Å; M26-V29 PolarHBondContact O-N 3.02Å; V29-Y34 VanDerWaalsContact O-CD1 3.26Å; V29-Y34 WeakPolarHBondContact O-CD1 3.3Å; V29-I123 HydrophobicContact CG1-CB 4.45Å; V29-I123 HydrophobicContact CG1-CG2 3.87Å; V29-A127 HydrophobicContact CG1-CB 4.2Å; V29-L130 HydrophobicContact CG2-CD1 3.77Å
30	F	98.6	Very high	98.2	Very high	45 Å²	45	47 Å²	47	20%	0.197	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	8	175.5	-72.1	-80.6	0	0	0	114.3	M26 C27 F28 I123 A127 A342 F345	M26-F30 HydrophobicContact CG-CD2 4.42Å; M26-F30 HydrophobicContact CG-CE2 4.48Å; M26-F30 WeakPolarHBondContact O-CD2 3.25Å; M26-F30 PolarHBondContact O-N 3.08Å; M26-F30 HydrophobicContact SD-CD2 4.2Å; M26-F30 HydrophobicContact SD-CE2 3.81Å; C27-F30 PolarHBondContact O-N 3.36Å; F28-F30 PolarHBondContact O-N 3.32Å; F30-I123 HydrophobicContact CD1-CG2 3.71Å; F30-I123 HydrophobicContact CE1-CG2 3.34Å; F30-I123 HydrophobicContact CE2-CG2 4.32Å; F30-I123 HydrophobicContact CG-CG2 4.35Å; F30-I123 HydrophobicContact CZ-CG2 3.69Å; F30-A127 HydrophobicContact CE2-CB 3.89Å; F30-A127 HydrophobicContact CZ-CB 4.11Å; F30-A342 HydrophobicContact CB-CB 4.2Å; F30-A342 HydrophobicContact CD1-CB 3.46Å; F30-A342 VanDerWaalsContact CD1-CB 3.46Å; F30-A342 HydrophobicContact CE1-CB 3.94Å; F30-A342 HydrophobicContact CG-CB 3.84Å; F30-F345 HydrophobicContact CE2-CB 3.43Å; F30-F345 VanDerWaalsContact CE2-CB 3.43Å; F30-F345 HydrophobicContact CE2-CD2 4.31Å; F30-F345 AromaticContact CE2-CG 3.98Å; F30-F345 HydrophobicContact CE2-CG 3.98Å; F30-F345 HydrophobicContact CZ-CB 3.68Å; F30-F345 AromaticContact CZ-CD2 3.69Å; F30-F345 HydrophobicContact CZ-CD2 3.69Å; F30-F345 AromaticContact CZ-CG 3.84Å; F30-F345 HydrophobicContact CZ-CG 3.84Å
31	S	98.5	Very high	98.4	Very high	32 Å²	32	42.6 Å²	42.6	22%	0.224	21%	0.208	C	C	.	.	S	Bend	trans	-75.2	150.2	179.2	72.6	0	0	0	0	112.2	C27 F28 R33 Y34 K35	C27-S31 PolarHBondContact O-N 3.49Å; C27-S31 VanDerWaalsContact O-N 3.14Å; F28-S31 VanDerWaalsContact O-CB 3.26Å; F28-S31 WeakPolarHBondContact O-CB 3.5Å; F28-S31 PolarHBondContact O-N 3.16Å; F28-S31 PolarHBondContact O-OG 3.29Å; S31-R33 PolarHBondContact O-N 3.03Å; S31-Y34 PolarHBondContact O-N 3.46Å; S31-Y34 VanDerWaalsContact O-N 3.11Å; S31-Y34 PolarHBondContact OG-N 3.18Å; S31-Y34 VanDerWaalsContact OG-N 3.13Å; S31-K35 PolarHBondContact O-N 3.16Å
32	D	98.4	Very high	98.4	Very high	93 Å²	93	39.3 Å²	39.3	50%	0.497	20%	0.195	S	C	.	.	H	α-helix	trans	-59.8	-32.8	172.8	-76.7	-40.3	0	0	0	112.2	K35 F36 F74	D32-K35 PolarHBondContact O-N 2.86Å; D32-F36 HydrophobicContact CB-CD2 3.92Å; D32-F36 HydrophobicContact CB-CE2 3.74Å; D32-F36 WeakPolarHBondContact O-CB 2.92Å; D32-F36 WeakPolarHBondContact O-CD2 3.48Å; D32-F36 PolarHBondContact O-N 3.32Å; D32-F74 HydrophobicContact CB-CE1 4.07Å
33	R	98.5	Very high	98.5	Very high	114 Å²	114	38.8 Å²	38.8	43%	0.43	19%	0.19	S	C	.	.	H	α-helix	trans	-58.9	-50.1	173	180	169.9	-67.7	-76.9	-1.6	111.5	F28 S31 R37 F74	F28-R33 HydrophobicContact CE2-CG 4.5Å; S31-R33 PolarHBondContact O-N 3.03Å; R33-R37 WeakPolarHBondContact O-CB 3.22Å; R33-R37 WeakPolarHBondContact O-CG 3.19Å; R33-R37 PolarHBondContact O-N 3.23Å; R33-F74 HydrophobicContact CB-CZ 4.28Å
34	Y	98.7	Very high	98.6	Very high	36 Å²	36	38.4 Å²	38.4	14%	0.141	19%	0.187	C	C	.	.	H	α-helix	trans	-65.5	-40.2	178.5	-170	-99.8	0	0	0	112.2	F28 V29 S31 R37 T38 I123 N126	F28-Y34 HydrophobicContact CD1-CD2 4.16Å; F28-Y34 AromaticContact CE1-CD2 3.53Å; F28-Y34 HydrophobicContact CE1-CD2 3.53Å; F28-Y34 HydrophobicContact CE1-CE2 4.27Å; F28-Y34 HydrophobicContact CE1-CG 4.31Å; F28-Y34 HydrophobicContact CZ-CD2 4.01Å; F28-Y34 WeakPolarHBondContact O-CB 3.38Å; V29-Y34 VanDerWaalsContact O-CD1 3.26Å; V29-Y34 WeakPolarHBondContact O-CD1 3.3Å; S31-Y34 PolarHBondContact O-N 3.46Å; S31-Y34 VanDerWaalsContact O-N 3.11Å; S31-Y34 PolarHBondContact OG-N 3.18Å; S31-Y34 VanDerWaalsContact OG-N 3.13Å; Y34-R37 WeakPolarHBondContact O-CG 3.27Å; Y34-T38 VanDerWaalsContact O-CB 3.25Å; Y34-T38 WeakPolarHBondContact O-CB 3.33Å; Y34-T38 PolarHBondContact O-N 3.01Å; Y34-T38 VanDerWaalsContact O-N 3.13Å; Y34-T38 PolarHBondContact O-OG1 2.64Å; Y34-I123 HydrophobicContact CD1-CD1 4.47Å; Y34-I123 HydrophobicContact CD1-CG1 3.96Å; Y34-I123 HydrophobicContact CE1-CG1 3.96Å; Y34-N126 PolarHBondContact OH-ND2 3.35Å
35	K	98.7	Very high	98.7	Very high	23 Å²	23	36.2 Å²	36.2	10%	0.1	17%	0.167	C	C	.	.	H	α-helix	trans	-59.3	-57.1	175.9	178.2	-176.7	173.2	-171.5	0	112	S31 D32 T38 W39 T119	S31-K35 PolarHBondContact O-N 3.16Å; D32-K35 PolarHBondContact O-N 2.86Å; K35-T38 CarbonylContact O-C 3.51Å; K35-T38 WeakPolarHBondContact O-CA 3.15Å; K35-T38 WeakPolarHBondContact O-CB 3.37Å; K35-T38 PolarHBondContact O-N 2.87Å; K35-T38 VanDerWaalsContact O-N 3.11Å; K35-W39 VanDerWaalsContact CE-CZ2 3.48Å; K35-W39 PolarHBondContact O-N 3.04Å; K35-T119 HydrophobicContact CB-CG2 4.49Å; K35-T119 HydrophobicContact CG-CG2 4.14Å
36	F	98.8	Very high	98.7	Very high	15 Å²	15	31.3 Å²	31.3	7%	0.066	14%	0.144	C	C	.	.	H	α-helix	trans	-77.2	-27.6	-171.3	-62.4	-57.5	0	0	0	113.5	D32 T38 W39 R40 I72 F74 H91	D32-F36 HydrophobicContact CB-CD2 3.92Å; D32-F36 HydrophobicContact CB-CE2 3.74Å; D32-F36 WeakPolarHBondContact O-CB 2.92Å; D32-F36 WeakPolarHBondContact O-CD2 3.48Å; D32-F36 PolarHBondContact O-N 3.32Å; F36-T38 VanDerWaalsContact C-N 3.26Å; F36-W39 AromaticContact CD1-CD2 3.87Å; F36-W39 HydrophobicContact CD1-CD2 3.87Å; F36-W39 AromaticContact CD1-CE3 3.67Å; F36-W39 HydrophobicContact CD1-CE3 3.67Å; F36-W39 HydrophobicContact CD1-CG 4.39Å; F36-W39 HydrophobicContact CD1-CH2 4.4Å; F36-W39 AromaticContact CD1-CZ3 3.91Å; F36-W39 HydrophobicContact CD1-CZ3 3.91Å; F36-W39 HydrophobicContact CE1-CD2 4.31Å; F36-W39 AromaticContact CE1-CE3 3.96Å; F36-W39 HydrophobicContact CE1-CE3 3.96Å; F36-W39 AromaticContact CE1-CH2 3.88Å; F36-W39 HydrophobicContact CE1-CH2 3.88Å; F36-W39 HydrophobicContact CE1-CZ2 4.27Å; F36-W39 AromaticContact CE1-CZ3 3.68Å; F36-W39 HydrophobicContact CE1-CZ3 3.68Å; F36-W39 WeakPolarHBondContact O-CB 3.3Å; F36-W39 PolarHBondContact O-N 3.12Å; F36-R40 PolarHBondContact O-N 3.46Å; F36-R40 VanDerWaalsContact O-N 3.15Å; F36-I72 HydrophobicContact CB-CD1 3.81Å; F36-F74 HydrophobicContact CD2-CD1 4.4Å; F36-F74 AromaticContact CD2-CE1 3.72Å; F36-F74 HydrophobicContact CD2-CE1 3.72Å; F36-F74 HydrophobicContact CE2-CE1 4.28Å; F36-H91 AromaticContact CD1-CD2 3.8Å; F36-H91 AromaticContact CD1-CE1 3.32Å; F36-H91 WeakPolarHBondContact CD1-CE1 3.32Å; F36-H91 AromaticContact CD1-CG 3.9Å; F36-H91 AromaticContact CD1-ND1 3.61Å; F36-H91 AromaticContact CD1-NE2 3.43Å; F36-H91 WeakPolarHBondContact CD1-NE2 3.34Å; F36-H91 AromaticContact CD2-CE1 3.59Å; F36-H91 AromaticContact CD2-NE2 3.88Å; F36-H91 AromaticContact CE1-CD2 3.56Å; F36-H91 AromaticContact CE1-CE1 3.65Å; F36-H91 AromaticContact CE1-NE2 3.23Å; F36-H91 WeakPolarHBondContact CE1-NE2 3.47Å; F36-H91 AromaticContact CE2-CE1 3.9Å; F36-H91 AromaticContact CE2-NE2 3.7Å; F36-H91 AromaticContact CG-CE1 3.29Å; F36-H91 WeakPolarHBondContact CG-CE1 3.42Å; F36-H91 AromaticContact CG-ND1 3.81Å; F36-H91 AromaticContact CG-NE2 3.76Å; F36-H91 AromaticContact CZ-CE1 3.92Å; F36-H91 AromaticContact CZ-NE2 3.36Å; F36-H91 WeakPolarHBondContact CZ-NE2 3.27Å
37	R	98.7	Very high	98.7	Very high	60 Å²	60	31.3 Å²	31.3	23%	0.226	14%	0.144	C	C	.	.	H	α-helix	trans	-66.4	-33.2	167.1	72.2	85.4	64.8	-162.2	-1.4	111.2	R33 Y34 R40 Q41 E70 I72	R33-R37 WeakPolarHBondContact O-CB 3.22Å; R33-R37 WeakPolarHBondContact O-CG 3.19Å; R33-R37 PolarHBondContact O-N 3.23Å; Y34-R37 WeakPolarHBondContact O-CG 3.27Å; R37-R40 PolarHBondContact O-N 3.14Å; R37-Q41 WeakPolarHBondContact O-CB 3.37Å; R37-Q41 PolarHBondContact O-N 3.21Å; R37-E70 IonicContact CZ-OE1 3.19Å; R37-E70 IonicContact NE-OE1 3.36Å; R37-E70 PolarHBondContact NE-OE1 3.39Å; R37-E70 IonicContact NH2-OE1 3.19Å; R37-E70 PolarHBondContact NH2-OE1 2.86Å; R37-I72 HydrophobicContact CB-CD1 4.03Å
38	T	98.8	Very high	98.7	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.025	14%	0.141	C	C	.	.	H	α-helix	trans	-71.9	-33.8	175.9	-57.3	0	0	0	0	111.5	Y34 K35 F36 Q41 L42 T119 I122	Y34-T38 VanDerWaalsContact O-CB 3.25Å; Y34-T38 WeakPolarHBondContact O-CB 3.33Å; Y34-T38 PolarHBondContact O-N 3.01Å; Y34-T38 VanDerWaalsContact O-N 3.13Å; Y34-T38 PolarHBondContact O-OG1 2.64Å; K35-T38 CarbonylContact O-C 3.51Å; K35-T38 WeakPolarHBondContact O-CA 3.15Å; K35-T38 WeakPolarHBondContact O-CB 3.37Å; K35-T38 PolarHBondContact O-N 2.87Å; K35-T38 VanDerWaalsContact O-N 3.11Å; F36-T38 VanDerWaalsContact C-N 3.26Å; T38-Q41 WeakPolarHBondContact O-CB 3.32Å; T38-Q41 PolarHBondContact O-N 2.95Å; T38-L42 HydrophobicContact CG2-CD1 4.29Å; T38-L42 WeakPolarHBondContact O-CG 3.33Å; T38-L42 PolarHBondContact O-N 3.34Å; T38-T119 HydrophobicContact CG2-CG2 3.83Å; T38-I122 HydrophobicContact CG2-CD1 3.85Å; T38-I122 HydrophobicContact CG2-CG2 4.41Å
39	W	98.9	Very high	98.8	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.015	12%	0.12	C	C	.	.	H	α-helix	trans	-58.4	-48.6	169.6	-74	21	0	0	0	111.3	K35 F36 Q41 L42 W43 V88 H91 V115	K35-W39 VanDerWaalsContact CE-CZ2 3.48Å; K35-W39 PolarHBondContact O-N 3.04Å; F36-W39 AromaticContact CD1-CD2 3.87Å; F36-W39 HydrophobicContact CD1-CD2 3.87Å; F36-W39 AromaticContact CD1-CE3 3.67Å; F36-W39 HydrophobicContact CD1-CE3 3.67Å; F36-W39 HydrophobicContact CD1-CG 4.39Å; F36-W39 HydrophobicContact CD1-CH2 4.4Å; F36-W39 AromaticContact CD1-CZ3 3.91Å; F36-W39 HydrophobicContact CD1-CZ3 3.91Å; F36-W39 HydrophobicContact CE1-CD2 4.31Å; F36-W39 AromaticContact CE1-CE3 3.96Å; F36-W39 HydrophobicContact CE1-CE3 3.96Å; F36-W39 AromaticContact CE1-CH2 3.88Å; F36-W39 HydrophobicContact CE1-CH2 3.88Å; F36-W39 HydrophobicContact CE1-CZ2 4.27Å; F36-W39 AromaticContact CE1-CZ3 3.68Å; F36-W39 HydrophobicContact CE1-CZ3 3.68Å; F36-W39 WeakPolarHBondContact O-CB 3.3Å; F36-W39 PolarHBondContact O-N 3.12Å; W39-Q41 VanDerWaalsContact C-N 3.33Å; W39-Q41 PolarHBondContact O-N 3.38Å; W39-L42 PolarHBondContact O-N 3.26Å; W39-W43 HydrophobicContact CB-CE3 4.44Å; W39-W43 HydrophobicContact CB-CH2 4.29Å; W39-W43 HydrophobicContact CB-CZ3 4.06Å; W39-W43 HydrophobicContact CE3-CH2 4.07Å; W39-W43 PolarHBondContact O-N 3Å; W39-V88 HydrophobicContact CE3-CG2 4.5Å; W39-V88 HydrophobicContact CH2-CB 4.37Å; W39-V88 HydrophobicContact CH2-CG2 3.47Å; W39-V88 VanDerWaalsContact CH2-CG2 3.47Å; W39-V88 HydrophobicContact CZ2-CG2 4.14Å; W39-V88 HydrophobicContact CZ3-CB 4.15Å; W39-V88 HydrophobicContact CZ3-CG2 3.71Å; W39-H91 HydrophobicContact CE3-CB 3.97Å; W39-H91 HydrophobicContact CZ3-CB 4.08Å; W39-V115 HydrophobicContact CB-CB 4.01Å; W39-V115 HydrophobicContact CB-CG1 4.3Å; W39-V115 HydrophobicContact CD2-CB 3.93Å; W39-V115 HydrophobicContact CD2-CG2 3.65Å; W39-V115 HydrophobicContact CE3-CG2 3.92Å; W39-V115 HydrophobicContact CG-CB 3.68Å; W39-V115 HydrophobicContact CG-CG1 4.48Å; W39-V115 HydrophobicContact CG-CG2 3.98Å; W39-V115 HydrophobicContact CZ2-CG2 4.36Å; W39-V115 HydrophobicContact CZ3-CG2 4.44Å; W39-V115 PolarHBondContact NE1-O 3.21Å
40	R	98.9	Very high	98.8	Very high	1 Å²	1	26 Å²	26	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-61.9	-39.7	175.2	-67.2	-175.5	174.9	-163.5	1.6	112.6	F36 R37 L42 W43 L44 N68 L69 N71 F95	F36-R40 PolarHBondContact O-N 3.46Å; F36-R40 VanDerWaalsContact O-N 3.15Å; R37-R40 PolarHBondContact O-N 3.14Å; R40-L42 VanDerWaalsContact C-N 3.35Å; R40-L42 PolarHBondContact O-N 3.05Å; R40-W43 HydrophobicContact CG-CE3 4.17Å; R40-W43 HydrophobicContact CG-CZ3 4.25Å; R40-W43 PolarHBondContact O-N 2.88Å; R40-L44 PolarHBondContact O-N 3.3Å; R40-N68 PolarHBondContact NH1-O 3.3Å; R40-L69 HydrophobicContact CB-CD2 3.78Å; R40-L69 WeakPolarHBondContact CD-O 3.44Å; R40-N71 VanDerWaalsContact NH1-C 3.28Å; R40-N71 PolarHBondContact NH1-O 3.09Å; R40-N71 PolarHBondContact NH2-O 3.41Å; R40-F95 HydrophobicContact CB-CD1 4.43Å; R40-F95 HydrophobicContact CB-CE1 3.95Å; R40-F95 HydrophobicContact CB-CE2 4.4Å; R40-F95 HydrophobicContact CB-CZ 3.92Å; R40-F95 HydrophobicContact CG-CD1 3.86Å; R40-F95 HydrophobicContact CG-CD2 4.03Å; R40-F95 HydrophobicContact CG-CE1 3.86Å; R40-F95 HydrophobicContact CG-CE2 4.04Å; R40-F95 HydrophobicContact CG-CG 3.95Å; R40-F95 HydrophobicContact CG-CZ 3.94Å
41	Q	98.9	Very high	98.8	Very high	30 Å²	30	26.3 Å²	26.3	14%	0.14	12%	0.118	C	C	.	.	H	α-helix	trans	-62.5	-40.8	175.7	-176.3	63.9	80.9	0	0	112.3	R37 T38 W39 L44 W45	R37-Q41 WeakPolarHBondContact O-CB 3.37Å; R37-Q41 PolarHBondContact O-N 3.21Å; T38-Q41 WeakPolarHBondContact O-CB 3.32Å; T38-Q41 PolarHBondContact O-N 2.95Å; W39-Q41 VanDerWaalsContact C-N 3.33Å; W39-Q41 PolarHBondContact O-N 3.38Å; Q41-L44 WeakPolarHBondContact O-CB 3.44Å; Q41-L44 PolarHBondContact O-N 3.09Å; Q41-W45 HydrophobicContact CG-CD2 4.08Å; Q41-W45 HydrophobicContact CG-CE3 4.3Å; Q41-W45 HydrophobicContact CG-CH2 3.65Å; Q41-W45 HydrophobicContact CG-CZ2 3.41Å; Q41-W45 VanDerWaalsContact CG-CZ2 3.41Å; Q41-W45 HydrophobicContact CG-CZ3 4.09Å; Q41-W45 PolarHBondContact O-N 2.99Å
42	L	98.9	Very high	98.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.9	-46.5	175.5	-73.7	162.4	0	0	0	110.9	T38 W39 R40 L44 W45 L46 Y114 V115 N118 T119 I122 F195	T38-L42 HydrophobicContact CG2-CD1 4.29Å; T38-L42 WeakPolarHBondContact O-CG 3.33Å; T38-L42 PolarHBondContact O-N 3.34Å; W39-L42 PolarHBondContact O-N 3.26Å; R40-L42 VanDerWaalsContact C-N 3.35Å; R40-L42 PolarHBondContact O-N 3.05Å; L42-L44 VanDerWaalsContact C-N 3.26Å; L42-L44 PolarHBondContact O-N 3.27Å; L42-W45 HydrophobicContact CD2-CE3 3.84Å; L42-W45 HydrophobicContact CD2-CZ3 3.98Å; L42-W45 HydrophobicContact CG-CE3 4.43Å; L42-W45 PolarHBondContact O-N 3.4Å; L42-W45 VanDerWaalsContact O-N 3.14Å; L42-L46 PolarHBondContact O-N 2.81Å; L42-Y114 HydrophobicContact CB-CE1 3.87Å; L42-Y114 PolarHBondContact O-OH 3.05Å; L42-V115 HydrophobicContact CB-CG1 4.18Å; L42-N118 HydrophobicContact CD1-CB 3.88Å; L42-N118 HydrophobicContact CD2-CB 4Å; L42-T119 WeakPolarHBondContact CD1-OG1 3.36Å; L42-I122 HydrophobicContact CD2-CD1 4.31Å; L42-F195 HydrophobicContact CD2-CZ 3.82Å
43	W	98.9	Very high	98.8	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-58.5	-38.5	174	-73	-47.8	0	0	0	112.7	W39 R40 L46 A47 M65 V88 H91 V92 F95 I106 H107 V115	W39-W43 HydrophobicContact CB-CE3 4.44Å; W39-W43 HydrophobicContact CB-CH2 4.29Å; W39-W43 HydrophobicContact CB-CZ3 4.06Å; W39-W43 HydrophobicContact CE3-CH2 4.07Å; W39-W43 PolarHBondContact O-N 3Å; R40-W43 HydrophobicContact CG-CE3 4.17Å; R40-W43 HydrophobicContact CG-CZ3 4.25Å; R40-W43 PolarHBondContact O-N 2.88Å; W43-L46 WeakPolarHBondContact O-CB 3.4Å; W43-L46 PolarHBondContact O-N 2.69Å; W43-A47 PolarHBondContact O-N 3.28Å; W43-M65 VanDerWaalsContact C-CE 3.42Å; W43-M65 HydrophobicContact CB-CE 3.8Å; W43-M65 WeakPolarHBondContact O-CE 3.48Å; W43-V88 HydrophobicContact CZ2-CG1 3.95Å; W43-H91 HydrophobicContact CH2-CB 3.9Å; W43-H91 HydrophobicContact CZ3-CB 4.36Å; W43-V92 HydrophobicContact CH2-CG2 3.85Å; W43-V92 HydrophobicContact CZ2-CG2 3.37Å; W43-F95 HydrophobicContact CB-CE1 4.4Å; W43-F95 AromaticContact CE3-CD1 3.65Å; W43-F95 HydrophobicContact CE3-CD1 3.65Å; W43-F95 HydrophobicContact CE3-CE1 4.16Å; W43-F95 HydrophobicContact CZ3-CD1 4.2Å; W43-I106 HydrophobicContact CB-CG2 4.47Å; W43-I106 HydrophobicContact CD2-CG2 3.94Å; W43-I106 HydrophobicContact CE3-CG2 4.31Å; W43-I106 HydrophobicContact CG-CG2 4Å; W43-H107 AromaticContact CD1-ND1 3.84Å; W43-H107 AromaticContact NE1-CE1 4Å; W43-H107 AromaticContact NE1-CG 3.56Å; W43-H107 AromaticContact NE1-ND1 3.02Å; W43-H107 PolarHBondContact NE1-ND1 3.24Å; W43-V115 HydrophobicContact CD2-CG1 3.97Å; W43-V115 VanDerWaalsContact CE2-CG1 3.5Å; W43-V115 HydrophobicContact CG-CG1 4.18Å; W43-V115 HydrophobicContact CZ2-CB 4.49Å; W43-V115 HydrophobicContact CZ2-CG1 3.89Å; W43-V115 HydrophobicContact CZ2-CG2 3.97Å
44	L	98.9	Very high	98.8	Very high	3 Å²	3	23 Å²	23	2%	0.016	12%	0.124	C	C	.	.	H	α-helix	trans	-61.8	-48.1	173.5	176.1	64.3	0	0	0	111.5	R40 Q41 L42 L46 A47 E48 I62 M65 K66 L69	R40-L44 PolarHBondContact O-N 3.3Å; Q41-L44 WeakPolarHBondContact O-CB 3.44Å; Q41-L44 PolarHBondContact O-N 3.09Å; L42-L44 VanDerWaalsContact C-N 3.26Å; L42-L44 PolarHBondContact O-N 3.27Å; L44-L46 VanDerWaalsContact C-N 3.28Å; L44-L46 PolarHBondContact O-N 3.39Å; L44-A47 PolarHBondContact O-N 3.07Å; L44-E48 HydrophobicContact CD1-CG 4.2Å; L44-E48 HydrophobicContact CG-CG 4.42Å; L44-E48 WeakPolarHBondContact O-CB 3.02Å; L44-E48 WeakPolarHBondContact O-CG 3.12Å; L44-E48 PolarHBondContact O-N 3Å; L44-I62 HydrophobicContact CD1-CG2 3.79Å; L44-I62 WeakPolarHBondContact CD1-O 3.41Å; L44-M65 HydrophobicContact CB-CE 4.48Å; L44-M65 HydrophobicContact CD1-CB 4.09Å; L44-K66 HydrophobicContact CD1-CB 4.17Å; L44-K66 HydrophobicContact CD2-CB 3.88Å; L44-K66 HydrophobicContact CD2-CG 3.97Å; L44-L69 HydrophobicContact CB-CD2 4.23Å; L44-L69 HydrophobicContact CD2-CD1 3.92Å; L44-L69 HydrophobicContact CD2-CD2 4.15Å; L44-L69 HydrophobicContact CD2-CG 4.42Å
45	W	98.9	Very high	98.8	Very high	45 Å²	45	22.2 Å²	22.2	17%	0.17	12%	0.123	C	C	.	.	H	α-helix	trans	-63.7	-33.7	177.9	-68.5	-24.8	0	0	0	113.2	Q41 L42 A49 I122 K229 A230	Q41-W45 HydrophobicContact CG-CD2 4.08Å; Q41-W45 HydrophobicContact CG-CE3 4.3Å; Q41-W45 HydrophobicContact CG-CH2 3.65Å; Q41-W45 HydrophobicContact CG-CZ2 3.41Å; Q41-W45 VanDerWaalsContact CG-CZ2 3.41Å; Q41-W45 HydrophobicContact CG-CZ3 4.09Å; Q41-W45 PolarHBondContact O-N 2.99Å; L42-W45 HydrophobicContact CD2-CE3 3.84Å; L42-W45 HydrophobicContact CD2-CZ3 3.98Å; L42-W45 HydrophobicContact CG-CE3 4.43Å; L42-W45 PolarHBondContact O-N 3.4Å; L42-W45 VanDerWaalsContact O-N 3.14Å; W45-A49 WeakPolarHBondContact O-CB 3.42Å; W45-A49 PolarHBondContact O-N 3.39Å; W45-A49 VanDerWaalsContact O-N 3.12Å; W45-I122 HydrophobicContact CZ3-CD1 4.26Å; W45-K229 HydrophobicContact CB-CB 4.26Å; W45-K229 HydrophobicContact CB-CD 3.79Å; W45-K229 HydrophobicContact CD2-CB 3.83Å; W45-K229 HydrophobicContact CE3-CB 4.36Å; W45-K229 HydrophobicContact CG-CB 3.77Å; W45-K229 HydrophobicContact CG-CD 3.87Å; W45-K229 HydrophobicContact CG-CG 4.37Å; W45-K229 WeakPolarHBondContact CZ2-O 3.12Å; W45-A230 HydrophobicContact CE3-CB 4.23Å; W45-A230 HydrophobicContact CH2-CB 4.38Å; W45-A230 HydrophobicContact CZ3-CB 3.7Å
46	L	98.9	Very high	98.8	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-60.9	-55.7	172	-175.3	63.3	0	0	0	110	L42 W43 L44 E48 A49 E50 A110 Y114 V198 F208 L222	L42-L46 PolarHBondContact O-N 2.81Å; W43-L46 WeakPolarHBondContact O-CB 3.4Å; W43-L46 PolarHBondContact O-N 2.69Å; L44-L46 VanDerWaalsContact C-N 3.28Å; L44-L46 PolarHBondContact O-N 3.39Å; L46-E48 PolarHBondContact O-N 3.47Å; L46-A49 PolarHBondContact O-N 3.06Å; L46-A49 VanDerWaalsContact O-N 3.14Å; L46-E50 HydrophobicContact CD1-CG 4.2Å; L46-E50 HydrophobicContact CG-CG 4.33Å; L46-E50 WeakPolarHBondContact O-CB 3.37Å; L46-E50 WeakPolarHBondContact O-CG 3.47Å; L46-E50 PolarHBondContact O-N 2.81Å; L46-A110 HydrophobicContact CD2-CB 4Å; L46-Y114 HydrophobicContact CB-CE1 3.88Å; L46-Y114 HydrophobicContact CD2-CD1 4.21Å; L46-Y114 HydrophobicContact CD2-CE1 3.91Å; L46-Y114 HydrophobicContact CG-CE1 4.35Å; L46-V198 HydrophobicContact CD1-CG1 3.79Å; L46-F208 HydrophobicContact CD1-CE1 4.17Å; L46-L222 HydrophobicContact CD1-CD1 4.22Å; L46-L222 HydrophobicContact CD1-CD2 4.27Å
47	A	98.8	Very high	98.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-41.9	-178.6	0	0	0	0	0	112.6	W43 L44 A49 E50 Q51 I57 I62 M65 I105	W43-A47 PolarHBondContact O-N 3.28Å; L44-A47 PolarHBondContact O-N 3.07Å; A47-A49 PolarHBondContact O-N 3.44Å; A47-E50 PolarHBondContact O-N 2.97Å; A47-Q51 VanDerWaalsContact O-CB 3.3Å; A47-Q51 WeakPolarHBondContact O-CB 3.39Å; A47-Q51 PolarHBondContact O-N 3.25Å; A47-I57 HydrophobicContact CB-CD1 4.26Å; A47-I57 HydrophobicContact CB-CG2 4.39Å; A47-I62 HydrophobicContact CB-CG1 4.21Å; A47-M65 HydrophobicContact CB-CE 4.18Å; A47-M65 HydrophobicContact CB-SD 4.04Å; A47-I105 HydrophobicContact CB-CD1 4.2Å
48	E	98.8	Very high	98.7	Very high	36 Å²	36	27 Å²	27	17%	0.168	16%	0.163	C	C	.	.	H	α-helix	trans	-60.4	-42.5	175.1	-74.1	175	168.5	0	0	112.3	L44 L46 T52 I62 K229	L44-E48 HydrophobicContact CD1-CG 4.2Å; L44-E48 HydrophobicContact CG-CG 4.42Å; L44-E48 WeakPolarHBondContact O-CB 3.02Å; L44-E48 WeakPolarHBondContact O-CG 3.12Å; L44-E48 PolarHBondContact O-N 3Å; L46-E48 PolarHBondContact O-N 3.47Å; E48-T52 PolarHBondContact O-N 3.13Å; E48-T52 PolarHBondContact O-OG1 3.4Å; E48-I62 HydrophobicContact CG-CD1 4.26Å; E48-I62 HydrophobicContact CG-CG2 3.82Å; E48-K229 IonicContact OE2-NZ 2.56Å; E48-K229 PolarHBondContact OE2-NZ 3.14Å
49	A	98.8	Very high	98.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-73.5	-42.1	179.7	0	0	0	0	0	111.7	W45 L46 A47 Q51 T52 L53 L222 M225 V226	W45-A49 WeakPolarHBondContact O-CB 3.42Å; W45-A49 PolarHBondContact O-N 3.39Å; W45-A49 VanDerWaalsContact O-N 3.12Å; L46-A49 PolarHBondContact O-N 3.06Å; L46-A49 VanDerWaalsContact O-N 3.14Å; A47-A49 PolarHBondContact O-N 3.44Å; A49-Q51 PolarHBondContact O-N 3.15Å; A49-T52 WeakPolarHBondContact O-CB 3.19Å; A49-T52 PolarHBondContact O-N 2.74Å; A49-L53 VanDerWaalsContact O-CG 3.28Å; A49-L53 WeakPolarHBondContact O-CG 3.22Å; A49-L53 PolarHBondContact O-N 2.79Å; A49-L222 HydrophobicContact CB-CD1 3.48Å; A49-L222 VanDerWaalsContact CB-CD1 3.48Å; A49-M225 HydrophobicContact CB-CB 3.97Å; A49-M225 HydrophobicContact CB-CE 3.93Å; A49-M225 HydrophobicContact CB-SD 4.23Å; A49-V226 HydrophobicContact CB-CG1 4.21Å
50	E	98.8	Very high	98.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-43.3	175.2	-77.6	-177.3	156	0	0	112.3	L46 A47 L53 G54 L55 I57 L222	L46-E50 HydrophobicContact CD1-CG 4.2Å; L46-E50 HydrophobicContact CG-CG 4.33Å; L46-E50 WeakPolarHBondContact O-CB 3.37Å; L46-E50 WeakPolarHBondContact O-CG 3.47Å; L46-E50 PolarHBondContact O-N 2.81Å; A47-E50 PolarHBondContact O-N 2.97Å; E50-L53 CarbonylContact O-C 3.47Å; E50-L53 PolarHBondContact O-N 3.3Å; E50-G54 PolarHBondContact O-N 3.47Å; E50-L55 HydrophobicContact CB-CB 4.26Å; E50-L55 HydrophobicContact CB-CD1 3.85Å; E50-L55 HydrophobicContact CB-CG 4.45Å; E50-L55 HydrophobicContact CG-CD1 3.84Å; E50-L55 WeakPolarHBondContact O-CB 3.42Å; E50-L55 PolarHBondContact O-N 3.15Å; E50-I57 HydrophobicContact CB-CD1 3.55Å; E50-L222 HydrophobicContact CG-CD1 4Å; E50-L222 HydrophobicContact CG-CD2 4.26Å
51	Q	98.8	Very high	98.7	Very high	52 Å²	52	39.1 Å²	39.1	24%	0.243	22%	0.224	C	C	.	.	H	α-helix	trans	-57.6	-49.4	172.1	-180	-173.5	59.2	0	0	111.2	A47 A49 L53 G54 I57 D59 I62	A47-Q51 VanDerWaalsContact O-CB 3.3Å; A47-Q51 WeakPolarHBondContact O-CB 3.39Å; A47-Q51 PolarHBondContact O-N 3.25Å; A49-Q51 PolarHBondContact O-N 3.15Å; Q51-L53 PolarHBondContact O-N 3.06Å; Q51-G54 PolarHBondContact O-N 3.42Å; Q51-I57 HydrophobicContact CB-CB 3.99Å; Q51-I57 HydrophobicContact CB-CG2 4.27Å; Q51-I57 HydrophobicContact CG-CB 4.49Å; Q51-I57 WeakPolarHBondContact CG-O 3.29Å; Q51-I57 PolarHBondContact NE2-O 3.29Å; Q51-D59 PolarHBondContact NE2-OD1 3.45Å; Q51-D59 PolarHBondContact OE1-OD1 3.33Å; Q51-I62 HydrophobicContact CB-CD1 3.88Å; Q51-I62 VanDerWaalsContact CD-CD1 3.41Å; Q51-I62 HydrophobicContact CG-CD1 4.23Å
52	T	98.7	Very high	98.7	Very high	99 Å²	99	38.4 Å²	38.4	61%	0.607	22%	0.221	S	C	*	.	H	α-helix	trans	-59.8	-32.5	-179.7	-57.4	0	0	0	0	111.7	E48 A49 G54 M225	E48-T52 PolarHBondContact O-N 3.13Å; E48-T52 PolarHBondContact O-OG1 3.4Å; A49-T52 WeakPolarHBondContact O-CB 3.19Å; A49-T52 PolarHBondContact O-N 2.74Å; T52-G54 VanDerWaalsContact C-N 3.28Å; T52-M225 HydrophobicContact CG2-CE 3.78Å
53	L	98.7	Very high	98.7	Very high	11 Å²	11	43.1 Å²	43.1	6%	0.058	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	3.3	178.7	-64.8	169.4	0	0	0	113.7	A49 E50 Q51 F212 K218 Q221 L222 M225	A49-L53 VanDerWaalsContact O-CG 3.28Å; A49-L53 WeakPolarHBondContact O-CG 3.22Å; A49-L53 PolarHBondContact O-N 2.79Å; E50-L53 CarbonylContact O-C 3.47Å; E50-L53 PolarHBondContact O-N 3.3Å; Q51-L53 PolarHBondContact O-N 3.06Å; L53-F212 HydrophobicContact CB-CE1 3.64Å; L53-F212 HydrophobicContact CB-CZ 3.9Å; L53-F212 HydrophobicContact CD1-CE1 4.42Å; L53-F212 HydrophobicContact CD1-CE2 4.47Å; L53-F212 HydrophobicContact CD1-CZ 3.85Å; L53-K218 WeakPolarHBondContact CD1-O 3.46Å; L53-K218 HydrophobicContact CD2-CG 4.35Å; L53-K218 WeakPolarHBondContact O-CE 3.14Å; L53-K218 PolarHBondContact O-NZ 2.9Å; L53-Q221 HydrophobicContact CD1-CB 4.48Å; L53-Q221 HydrophobicContact CD2-CB 3.87Å; L53-L222 HydrophobicContact CD1-CB 3.58Å; L53-L222 HydrophobicContact CD1-CD1 4.06Å; L53-L222 HydrophobicContact CD1-CG 4.38Å; L53-M225 HydrophobicContact CD1-SD 4.31Å; L53-M225 HydrophobicContact CD2-SD 4.36Å; L53-M225 HydrophobicContact CG-SD 4.24Å
54	G	98.3	Very high	98.7	Very high	59 Å²	59	44.8 Å²	44.8	61%	0.608	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.2	12.3	169.6	0	0	0	0	0	115.5	E50 Q51 T52	E50-G54 PolarHBondContact O-N 3.47Å; Q51-G54 PolarHBondContact O-N 3.42Å; T52-G54 VanDerWaalsContact C-N 3.28Å
55	L	98.4	Very high	98.7	Very high	21 Å²	21	44.6 Å²	44.6	11%	0.11	25%	0.25	C	C	.	.			trans	-70.8	150.5	169.2	-69.5	-176.8	0	0	0	110.8	E50 I57 L108 L211 F212	E50-L55 HydrophobicContact CB-CB 4.26Å; E50-L55 HydrophobicContact CB-CD1 3.85Å; E50-L55 HydrophobicContact CB-CG 4.45Å; E50-L55 HydrophobicContact CG-CD1 3.84Å; E50-L55 WeakPolarHBondContact O-CB 3.42Å; E50-L55 PolarHBondContact O-N 3.15Å; L55-I57 HydrophobicContact CB-CD1 4.5Å; L55-I57 PolarHBondContact O-N 3.2Å; L55-L108 HydrophobicContact CD1-CD2 4.15Å; L55-L211 HydrophobicContact CD1-CB 4.31Å; L55-L211 HydrophobicContact CD1-CD1 4.41Å; L55-L211 HydrophobicContact CD2-CB 4.43Å; L55-F212 HydrophobicContact CD1-CE1 3.94Å; L55-F212 HydrophobicContact CD1-CZ 4.07Å; L55-F212 HydrophobicContact CD2-CD1 4.32Å; L55-F212 HydrophobicContact CD2-CE1 4.2Å; L55-F212 HydrophobicContact CG-CD1 4.32Å; L55-F212 HydrophobicContact CG-CE1 3.71Å; L55-F212 HydrophobicContact CG-CZ 4.32Å
56	P	98.3	Very high	98.7	Very high	116 Å²	116	47.7 Å²	47.7	75%	0.753	26%	0.264	S	S	*	.	S	Bend	trans	-75.3	70.2	-173.6	32.2	-37.4	0	0	0	112.2
57	I	98.7	Very high	98.7	Very high	10 Å²	10	51.7 Å²	51.7	5%	0.051	29%	0.292	C	S	.	.			trans	-117.6	126.7	178.2	-59.4	177	0	0	0	108.2	A47 E50 Q51 L55 Q61 I62 I105	A47-I57 HydrophobicContact CB-CD1 4.26Å; A47-I57 HydrophobicContact CB-CG2 4.39Å; E50-I57 HydrophobicContact CB-CD1 3.55Å; Q51-I57 HydrophobicContact CB-CB 3.99Å; Q51-I57 HydrophobicContact CB-CG2 4.27Å; Q51-I57 HydrophobicContact CG-CB 4.49Å; Q51-I57 WeakPolarHBondContact CG-O 3.29Å; Q51-I57 PolarHBondContact NE2-O 3.29Å; L55-I57 HydrophobicContact CB-CD1 4.5Å; L55-I57 PolarHBondContact O-N 3.2Å; I57-Q61 HydrophobicContact CG2-CB 4.49Å; I57-I62 HydrophobicContact CG2-CD1 3.94Å; I57-I62 HydrophobicContact CG2-CG1 3.87Å; I57-I105 HydrophobicContact CG1-CB 4.32Å; I57-I105 HydrophobicContact CG1-CG1 4.45Å; I57-I105 HydrophobicContact CG1-CG2 4.3Å; I57-I105 HydrophobicContact CG2-CG1 4.47Å
58	T	98.7	Very high	98.7	Very high	71 Å²	71	53 Å²	53	44%	0.436	30%	0.299	S	S	.	.			trans	-92.6	153.9	-177.5	72.4	0	0	0	0	112.1	E60 Q61 I62	T58-E60 PolarHBondContact O-N 2.79Å; T58-Q61 WeakPolarHBondContact O-CB 3.28Å; T58-Q61 PolarHBondContact O-N 2.96Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.06Å; T58-Q61 PolarHBondContact OG1-N 2.86Å; T58-I62 PolarHBondContact O-N 2.96Å
59	D	98.6	Very high	98.7	Very high	117 Å²	117	52.1 Å²	52.1	63%	0.626	30%	0.295	S	S	*	.	H	α-helix	trans	-57.6	-32.7	174.4	-67.9	-10.8	0	0	0	111.8	Q51 I62 Q63	Q51-D59 PolarHBondContact NE2-OD1 3.45Å; Q51-D59 PolarHBondContact OE1-OD1 3.33Å; D59-I62 PolarHBondContact O-N 3.12Å; D59-Q63 VanDerWaalsContact O-CB 3.24Å; D59-Q63 WeakPolarHBondContact O-CB 3.17Å; D59-Q63 PolarHBondContact O-N 2.66Å
60	E	98.5	Very high	98.6	Very high	120 Å²	120	56.4 Å²	56.4	56%	0.561	32%	0.315	S	S	*	.	H	α-helix	trans	-62.6	-41.3	175.5	-64.9	-170.1	-172	0	0	112	T58 E64 K101	T58-E60 PolarHBondContact O-N 2.79Å; E60-E64 VanDerWaalsContact O-CB 3.3Å; E60-E64 WeakPolarHBondContact O-CB 3.36Å; E60-E64 PolarHBondContact O-N 3.22Å; E60-K101 IonicContact OE2-NZ 2.7Å; E60-K101 PolarHBondContact OE2-NZ 2.94Å
61	Q	98.8	Very high	98.6	Very high	28 Å²	28	61 Å²	61	13%	0.131	34%	0.34	C	S	.	.	H	α-helix	trans	-65.1	-46.9	177.3	-68.9	172.6	-47.3	0	0	111.1	I57 T58 Q63 E64 M65 K101 A102	I57-Q61 HydrophobicContact CG2-CB 4.49Å; T58-Q61 WeakPolarHBondContact O-CB 3.28Å; T58-Q61 PolarHBondContact O-N 2.96Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.06Å; T58-Q61 PolarHBondContact OG1-N 2.86Å; Q61-Q63 PolarHBondContact O-N 3.09Å; Q61-E64 PolarHBondContact O-N 2.98Å; Q61-M65 WeakPolarHBondContact O-CG 3.19Å; Q61-M65 PolarHBondContact O-N 3.02Å; Q61-K101 HydrophobicContact CG-CB 4.25Å; Q61-K101 WeakPolarHBondContact CG-O 3.49Å; Q61-K101 PolarHBondContact NE2-O 2.85Å; Q61-A102 HydrophobicContact CB-CB 3.97Å; Q61-A102 HydrophobicContact CG-CB 4.42Å
62	I	98.8	Very high	98.6	Very high	15 Å²	15	59.2 Å²	59.2	8%	0.077	33%	0.332	C	S	.	.	H	α-helix	trans	-61.7	-45.1	177.8	-74.4	168.8	0	0	0	111	L44 A47 E48 Q51 I57 T58 D59 E64 M65 K66	L44-I62 HydrophobicContact CD1-CG2 3.79Å; L44-I62 WeakPolarHBondContact CD1-O 3.41Å; A47-I62 HydrophobicContact CB-CG1 4.21Å; E48-I62 HydrophobicContact CG-CD1 4.26Å; E48-I62 HydrophobicContact CG-CG2 3.82Å; Q51-I62 HydrophobicContact CB-CD1 3.88Å; Q51-I62 VanDerWaalsContact CD-CD1 3.41Å; Q51-I62 HydrophobicContact CG-CD1 4.23Å; I57-I62 HydrophobicContact CG2-CD1 3.94Å; I57-I62 HydrophobicContact CG2-CG1 3.87Å; T58-I62 PolarHBondContact O-N 2.96Å; D59-I62 PolarHBondContact O-N 3.12Å; I62-E64 VanDerWaalsContact C-N 3.34Å; I62-E64 PolarHBondContact O-N 3.15Å; I62-M65 PolarHBondContact O-N 3.35Å; I62-K66 WeakPolarHBondContact O-CB 3.49Å; I62-K66 PolarHBondContact O-N 3.33Å
63	Q	98.7	Very high	98.6	Very high	99 Å²	99	58.4 Å²	58.4	46%	0.463	32%	0.324	S	S	.	.	H	α-helix	trans	-65.8	-37.4	179.4	-174.4	54.1	55.7	0	0	111.8	D59 Q61 K66 S67	D59-Q63 VanDerWaalsContact O-CB 3.24Å; D59-Q63 WeakPolarHBondContact O-CB 3.17Å; D59-Q63 PolarHBondContact O-N 2.66Å; Q61-Q63 PolarHBondContact O-N 3.09Å; Q63-K66 PolarHBondContact O-N 3.12Å; Q63-S67 PolarHBondContact NE2-OG 3.05Å; Q63-S67 WeakPolarHBondContact O-CB 3.49Å; Q63-S67 PolarHBondContact O-N 2.92Å; Q63-S67 PolarHBondContact O-OG 3.27Å
64	E	98.7	Very high	98.6	Very high	36 Å²	36	61.1 Å²	61.1	17%	0.168	34%	0.335	C	S	.	.	H	α-helix	trans	-62.5	-44.2	175.1	-170.4	-179.5	-117.2	0	0	111.9	E60 Q61 I62 S67 N68 C99 P100 K101 A102	E60-E64 VanDerWaalsContact O-CB 3.3Å; E60-E64 WeakPolarHBondContact O-CB 3.36Å; E60-E64 PolarHBondContact O-N 3.22Å; Q61-E64 PolarHBondContact O-N 2.98Å; I62-E64 VanDerWaalsContact C-N 3.34Å; I62-E64 PolarHBondContact O-N 3.15Å; E64-S67 PolarHBondContact O-N 3.2Å; E64-N68 PolarHBondContact O-N 2.99Å; E64-N68 PolarHBondContact O-ND2 3.35Å; E64-C99 VanDerWaalsContact CD-CA 3.45Å; E64-C99 HydrophobicContact CG-CB 3.9Å; E64-C99 WeakPolarHBondContact OE2-CA 3.34Å; E64-C99 WeakPolarHBondContact OE2-CB 3.5Å; E64-P100 WeakPolarHBondContact OE1-CD 3.35Å; E64-K101 WeakPolarHBondContact OE2-CA 3.36Å; E64-K101 WeakPolarHBondContact OE2-CB 3.14Å; E64-K101 PolarHBondContact OE2-N 3.27Å; E64-A102 PolarHBondContact OE2-N 2.89Å
65	M	98.8	Very high	98.6	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61.5	-46.5	173.9	-69	170.7	71.1	0	0	111.4	W43 L44 A47 Q61 I62 S67 N68 L69 F95 A102 I105 I106	W43-M65 VanDerWaalsContact C-CE 3.42Å; W43-M65 HydrophobicContact CB-CE 3.8Å; W43-M65 WeakPolarHBondContact O-CE 3.48Å; L44-M65 HydrophobicContact CB-CE 4.48Å; L44-M65 HydrophobicContact CD1-CB 4.09Å; A47-M65 HydrophobicContact CB-CE 4.18Å; A47-M65 HydrophobicContact CB-SD 4.04Å; Q61-M65 WeakPolarHBondContact O-CG 3.19Å; Q61-M65 PolarHBondContact O-N 3.02Å; I62-M65 PolarHBondContact O-N 3.35Å; M65-S67 VanDerWaalsContact C-N 3.32Å; M65-S67 PolarHBondContact O-N 3.2Å; M65-N68 CarbonylContact O-C 3.57Å; M65-N68 PolarHBondContact O-N 3.33Å; M65-N68 VanDerWaalsContact O-N 3.07Å; M65-L69 PolarHBondContact O-N 2.85Å; M65-F95 HydrophobicContact CB-CE1 4.31Å; M65-F95 HydrophobicContact CB-CZ 3.81Å; M65-F95 HydrophobicContact CE-CE1 3.9Å; M65-F95 HydrophobicContact CG-CE1 4.18Å; M65-F95 HydrophobicContact CG-CZ 4.05Å; M65-A102 HydrophobicContact CG-CB 3.52Å; M65-A102 HydrophobicContact SD-CB 3.85Å; M65-I105 HydrophobicContact SD-CD1 3.75Å; M65-I106 HydrophobicContact CE-CG1 4.06Å; M65-I106 HydrophobicContact SD-CG1 4.22Å
66	K	98.6	Very high	98.6	Very high	110 Å²	110	66 Å²	66	48%	0.478	34%	0.34	S	S	.	.	H	α-helix	trans	-61	-39.3	-179.9	-171.7	173.8	-177	174.4	0	112.6	L44 I62 Q63 N68 L69	L44-K66 HydrophobicContact CD1-CB 4.17Å; L44-K66 HydrophobicContact CD2-CB 3.88Å; L44-K66 HydrophobicContact CD2-CG 3.97Å; I62-K66 WeakPolarHBondContact O-CB 3.49Å; I62-K66 PolarHBondContact O-N 3.33Å; Q63-K66 PolarHBondContact O-N 3.12Å; K66-N68 PolarHBondContact O-N 3.28Å; K66-L69 WeakPolarHBondContact O-CG 3.18Å
67	S	98.6	Very high	98.6	Very high	85 Å²	85	60.6 Å²	60.6	59%	0.594	31%	0.305	S	S	*	.	H	α-helix	trans	-69.3	-16.8	176.8	-70.8	0	0	0	0	113.7	Q63 E64 M65	Q63-S67 PolarHBondContact NE2-OG 3.05Å; Q63-S67 WeakPolarHBondContact O-CB 3.49Å; Q63-S67 PolarHBondContact O-N 2.92Å; Q63-S67 PolarHBondContact O-OG 3.27Å; E64-S67 PolarHBondContact O-N 3.2Å; M65-S67 VanDerWaalsContact C-N 3.32Å; M65-S67 PolarHBondContact O-N 3.2Å
68	N	98.7	Very high	98.6	Very high	27 Å²	27	62.9 Å²	62.9	14%	0.144	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	16.2	-175.8	-75.1	-78.3	0	0	0	114	R40 E64 M65 K66 E70 N71 F95	R40-N68 PolarHBondContact NH1-O 3.3Å; E64-N68 PolarHBondContact O-N 2.99Å; E64-N68 PolarHBondContact O-ND2 3.35Å; M65-N68 CarbonylContact O-C 3.57Å; M65-N68 PolarHBondContact O-N 3.33Å; M65-N68 VanDerWaalsContact O-N 3.07Å; K66-N68 PolarHBondContact O-N 3.28Å; N68-E70 VanDerWaalsContact C-N 3.29Å; N68-E70 PolarHBondContact O-N 3.04Å; N68-N71 HydrophobicContact CB-CB 4.35Å; N68-N71 PolarHBondContact O-N 3.47Å; N68-N71 PolarHBondContact OD1-ND2 3.04Å; N68-F95 HydrophobicContact CB-CE2 3.92Å
69	L	98.7	Very high	98.5	Very high	18 Å²	18	65 Å²	65	9%	0.094	33%	0.33	C	S	.	.	S	Bend	trans	-57.9	-39.9	-179.6	-65.9	180	0	0	0	113.4	R40 L44 M65 K66	R40-L69 HydrophobicContact CB-CD2 3.78Å; R40-L69 WeakPolarHBondContact CD-O 3.44Å; L44-L69 HydrophobicContact CB-CD2 4.23Å; L44-L69 HydrophobicContact CD2-CD1 3.92Å; L44-L69 HydrophobicContact CD2-CD2 4.15Å; L44-L69 HydrophobicContact CD2-CG 4.42Å; M65-L69 PolarHBondContact O-N 2.85Å; K66-L69 WeakPolarHBondContact O-CG 3.18Å
70	E	98.5	Very high	98.5	Very high	90 Å²	90	60.8 Å²	60.8	42%	0.421	31%	0.307	S	S	.	.	S	Bend	trans	-93.9	-11.6	-178.3	-60.5	-59.9	153.9	0	0	113.8	R37 N68 I72	R37-E70 IonicContact CZ-OE1 3.19Å; R37-E70 IonicContact NE-OE1 3.36Å; R37-E70 PolarHBondContact NE-OE1 3.39Å; R37-E70 IonicContact NH2-OE1 3.19Å; R37-E70 PolarHBondContact NH2-OE1 2.86Å; N68-E70 VanDerWaalsContact C-N 3.29Å; N68-E70 PolarHBondContact O-N 3.04Å; E70-I72 VanDerWaalsContact C-N 3.29Å; E70-I72 PolarHBondContact O-N 3.14Å
71	N	98.4	Very high	98.5	Very high	97 Å²	97	59 Å²	59	52%	0.519	30%	0.299	S	S	.	.			trans	-83.3	65.3	-174.7	-176.1	26.7	0	0	0	112	R40 N68	R40-N71 VanDerWaalsContact NH1-C 3.28Å; R40-N71 PolarHBondContact NH1-O 3.09Å; R40-N71 PolarHBondContact NH2-O 3.41Å; N68-N71 HydrophobicContact CB-CB 4.35Å; N68-N71 PolarHBondContact O-N 3.47Å; N68-N71 PolarHBondContact OD1-ND2 3.04Å
72	I	98.6	Very high	98.5	Very high	14 Å²	14	65.4 Å²	65.4	7%	0.072	33%	0.326	C	S	.	.			trans	-96.3	114.1	-173.4	-51	175.6	0	0	0	110.5	F36 R37 E70 F74	F36-I72 HydrophobicContact CB-CD1 3.81Å; R37-I72 HydrophobicContact CB-CD1 4.03Å; E70-I72 VanDerWaalsContact C-N 3.29Å; E70-I72 PolarHBondContact O-N 3.14Å; I72-F74 HydrophobicContact CB-CD2 4.24Å; I72-F74 HydrophobicContact CB-CE2 3.8Å; I72-F74 HydrophobicContact CB-CZ 4.22Å; I72-F74 HydrophobicContact CD1-CZ 4.41Å; I72-F74 HydrophobicContact CG2-CD1 4.42Å; I72-F74 HydrophobicContact CG2-CD2 4.01Å; I72-F74 HydrophobicContact CG2-CE1 4.28Å; I72-F74 HydrophobicContact CG2-CE2 3.82Å; I72-F74 HydrophobicContact CG2-CG 4.3Å; I72-F74 HydrophobicContact CG2-CZ 3.96Å; I72-F74 VanDerWaalsContact O-CD2 3.31Å; I72-F74 WeakPolarHBondContact O-CD2 3.45Å; I72-F74 PolarHBondContact O-N 2.94Å
73	D	98.3	Very high	98.4	Very high	82 Å²	82	71.9 Å²	71.9	44%	0.439	35%	0.349	S	S	.	.			trans	-82.3	91.6	168.4	-169.6	-21.2	0	0	0	110.2	K75 M76 A77 T94	D73-K75 PolarHBondContact O-N 3.39Å; D73-K75 WeakPolarHBondContact OD1-CB 3.48Å; D73-K75 PolarHBondContact OD1-N 2.72Å; D73-M76 HydrophobicContact CB-CB 4.01Å; D73-M76 PolarHBondContact OD1-N 2.79Å; D73-A77 WeakPolarHBondContact O-CB 3.41Å; D73-A77 PolarHBondContact O-N 3.3Å; D73-T94 HydrophobicContact CB-CG2 4.25Å
74	F	98.2	Very high	98.4	Very high	68 Å²	68	69.7 Å²	69.7	30%	0.298	34%	0.341	S	S	.	.	H	α-helix	trans	-64	-28.8	177.8	-71.3	-90.5	0	0	0	113.1	D32 R33 F36 I72 A78	D32-F74 HydrophobicContact CB-CE1 4.07Å; R33-F74 HydrophobicContact CB-CZ 4.28Å; F36-F74 HydrophobicContact CD2-CD1 4.4Å; F36-F74 AromaticContact CD2-CE1 3.72Å; F36-F74 HydrophobicContact CD2-CE1 3.72Å; F36-F74 HydrophobicContact CE2-CE1 4.28Å; I72-F74 HydrophobicContact CB-CD2 4.24Å; I72-F74 HydrophobicContact CB-CE2 3.8Å; I72-F74 HydrophobicContact CB-CZ 4.22Å; I72-F74 HydrophobicContact CD1-CZ 4.41Å; I72-F74 HydrophobicContact CG2-CD1 4.42Å; I72-F74 HydrophobicContact CG2-CD2 4.01Å; I72-F74 HydrophobicContact CG2-CE1 4.28Å; I72-F74 HydrophobicContact CG2-CE2 3.82Å; I72-F74 HydrophobicContact CG2-CG 4.3Å; I72-F74 HydrophobicContact CG2-CZ 3.96Å; I72-F74 VanDerWaalsContact O-CD2 3.31Å; I72-F74 WeakPolarHBondContact O-CD2 3.45Å; I72-F74 PolarHBondContact O-N 2.94Å; F74-A78 WeakPolarHBondContact O-CB 3.21Å; F74-A78 PolarHBondContact O-N 2.8Å
75	K	98.5	Very high	98.3	Very high	150 Å²	150	78 Å²	78	65%	0.652	37%	0.371	S	S	*	.	H	α-helix	trans	-71.3	-48.8	-179.7	-177.6	-174.1	171.5	-168.8	0	109.7	D73 A77 A78 E79	D73-K75 PolarHBondContact O-N 3.39Å; D73-K75 WeakPolarHBondContact OD1-CB 3.48Å; D73-K75 PolarHBondContact OD1-N 2.72Å; K75-A77 VanDerWaalsContact C-N 3.33Å; K75-A77 PolarHBondContact O-N 2.96Å; K75-A78 PolarHBondContact O-N 3.29Å; K75-E79 VanDerWaalsContact CE-OE1 3.23Å; K75-E79 WeakPolarHBondContact CE-OE1 3.32Å; K75-E79 WeakPolarHBondContact O-CG 3.46Å; K75-E79 PolarHBondContact O-N 3.38Å
76	M	98.5	Very high	98.2	Very high	34 Å²	34	81.2 Å²	81.2	17%	0.167	39%	0.385	C	S	.	.	H	α-helix	trans	-59.4	-45.3	174.5	-177.7	180	-178.1	0	0	110.9	D73 A78 E79 E80 T94 H97	D73-M76 HydrophobicContact CB-CB 4.01Å; D73-M76 PolarHBondContact OD1-N 2.79Å; M76-A78 VanDerWaalsContact C-N 3.3Å; M76-A78 PolarHBondContact O-N 2.89Å; M76-E79 PolarHBondContact O-N 2.99Å; M76-E80 HydrophobicContact CE-CG 4.33Å; M76-E80 HydrophobicContact CG-CG 4.16Å; M76-E80 WeakPolarHBondContact O-CB 3.37Å; M76-E80 WeakPolarHBondContact O-CG 3.39Å; M76-E80 PolarHBondContact O-N 3.09Å; M76-T94 HydrophobicContact CB-CG2 4.24Å; M76-T94 HydrophobicContact CG-CG2 4.27Å; M76-T94 HydrophobicContact SD-CG2 4.16Å; M76-H97 HydrophobicContact CE-CB 3.75Å; M76-H97 HydrophobicContact SD-CB 4.05Å
77	A	98.6	Very high	98.1	Very high	2 Å²	2	77.2 Å²	77.2	2%	0.017	37%	0.369	C	S	.	.	H	α-helix	trans	-58.6	-41	178	0	0	0	0	0	112.5	D73 K75 E80 E81 T94	D73-A77 WeakPolarHBondContact O-CB 3.41Å; D73-A77 PolarHBondContact O-N 3.3Å; K75-A77 VanDerWaalsContact C-N 3.33Å; K75-A77 PolarHBondContact O-N 2.96Å; A77-E80 PolarHBondContact O-N 3.15Å; A77-E81 WeakPolarHBondContact O-CB 3.44Å; A77-E81 PolarHBondContact O-N 3.48Å; A77-T94 WeakPolarHBondContact CA-OG1 3.46Å; A77-T94 HydrophobicContact CB-CG2 4.31Å
78	A	97.9	Very high	98.1	Very high	58 Å²	58	73.3 Å²	73.3	48%	0.479	34%	0.342	S	S	.	.	H	α-helix	trans	-67.1	-39.1	176.6	0	0	0	0	0	112.9	F74 K75 M76 K82	F74-A78 WeakPolarHBondContact O-CB 3.21Å; F74-A78 PolarHBondContact O-N 2.8Å; K75-A78 PolarHBondContact O-N 3.29Å; M76-A78 VanDerWaalsContact C-N 3.3Å; M76-A78 PolarHBondContact O-N 2.89Å; A78-K82 WeakPolarHBondContact O-CB 3.39Å; A78-K82 PolarHBondContact O-N 3.48Å
79	E	98.5	Very high	98.1	Very high	114 Å²	114	75.2 Å²	75.2	53%	0.533	35%	0.351	S	S	.	.	H	α-helix	trans	-64.5	-42.8	174	-70.9	172.7	-173	0	0	111.2	K75 M76 K82 R83	K75-E79 VanDerWaalsContact CE-OE1 3.23Å; K75-E79 WeakPolarHBondContact CE-OE1 3.32Å; K75-E79 WeakPolarHBondContact O-CG 3.46Å; K75-E79 PolarHBondContact O-N 3.38Å; M76-E79 PolarHBondContact O-N 2.99Å; E79-K82 PolarHBondContact O-N 3.49Å; E79-R83 PolarHBondContact O-N 3.49Å; E79-R83 VanDerWaalsContact O-N 3.07Å
80	E	98.3	Very high	98.1	Very high	30 Å²	30	74.4 Å²	74.4	14%	0.14	35%	0.346	C	S	.	.	H	α-helix	trans	-66.4	-41	176.5	-71.9	-69.6	-165.8	0	0	112.2	M76 A77 R83 L84 A90	M76-E80 HydrophobicContact CE-CG 4.33Å; M76-E80 HydrophobicContact CG-CG 4.16Å; M76-E80 WeakPolarHBondContact O-CB 3.37Å; M76-E80 WeakPolarHBondContact O-CG 3.39Å; M76-E80 PolarHBondContact O-N 3.09Å; A77-E80 PolarHBondContact O-N 3.15Å; E80-R83 WeakPolarHBondContact O-CB 3.47Å; E80-R83 PolarHBondContact O-N 3.01Å; E80-R83 IonicContact OE1-NH2 2.85Å; E80-R83 IonicContact OE2-CZ 3.85Å; E80-R83 IonicContact OE2-NE 2.82Å; E80-R83 PolarHBondContact OE2-NE 3.4Å; E80-R83 IonicContact OE2-NH2 2.86Å; E80-R83 PolarHBondContact OE2-NH2 3.47Å; E80-L84 VanDerWaalsContact O-CB 3.31Å; E80-L84 WeakPolarHBondContact O-CB 3.25Å; E80-L84 WeakPolarHBondContact O-CG 3.33Å; E80-L84 PolarHBondContact O-N 2.75Å; E80-A90 HydrophobicContact CB-CB 3.69Å
81	E	98.1	Very high	98.1	Very high	82 Å²	82	70.3 Å²	70.3	38%	0.383	33%	0.327	S	S	.	.	H	α-helix	trans	-65.3	-40.8	175.9	-174.6	176.9	172.1	0	0	111	A77 R83 L84 R85 D87 A90	A77-E81 WeakPolarHBondContact O-CB 3.44Å; A77-E81 PolarHBondContact O-N 3.48Å; E81-R83 PolarHBondContact O-N 3.02Å; E81-L84 PolarHBondContact O-N 2.97Å; E81-R85 VanDerWaalsContact O-CA 3.27Å; E81-R85 WeakPolarHBondContact O-CA 3.27Å; E81-R85 PolarHBondContact O-N 3.24Å; E81-D87 HydrophobicContact CG-CB 4.4Å; E81-A90 HydrophobicContact CB-CB 3.78Å; E81-A90 VanDerWaalsContact N-CB 3.29Å
82	K	97.9	Very high	98.1	Very high	163 Å²	163	66.4 Å²	66.4	71%	0.709	31%	0.307	S	S	*	.	H	α-helix	trans	-59.5	-36.3	173.8	-177.6	177.5	179.9	-179.5	0	112	A78 E79 R85	A78-K82 WeakPolarHBondContact O-CB 3.39Å; A78-K82 PolarHBondContact O-N 3.48Å; E79-K82 PolarHBondContact O-N 3.49Å; K82-R85 WeakPolarHBondContact O-CD 3.35Å; K82-R85 PolarHBondContact O-NE 2.97Å
83	R	98	Very high	98.1	Very high	150 Å²	150	69.8 Å²	69.8	57%	0.566	32%	0.322	S	S	*	.	H	α-helix	trans	-75.6	-49.2	178.6	-174	179.8	68	83.2	-5.3	112.3	E79 E80 E81	E79-R83 PolarHBondContact O-N 3.49Å; E79-R83 VanDerWaalsContact O-N 3.07Å; E80-R83 WeakPolarHBondContact O-CB 3.47Å; E80-R83 PolarHBondContact O-N 3.01Å; E80-R83 IonicContact OE1-NH2 2.85Å; E80-R83 IonicContact OE2-CZ 3.85Å; E80-R83 IonicContact OE2-NE 2.82Å; E80-R83 PolarHBondContact OE2-NE 3.4Å; E80-R83 IonicContact OE2-NH2 2.86Å; E80-R83 PolarHBondContact OE2-NH2 3.47Å; E81-R83 PolarHBondContact O-N 3.02Å
84	L	97.2	Very high	98.1	Very high	54 Å²	54	66 Å²	66	28%	0.283	30%	0.302	S	S	.	.	H	α-helix	trans	-89.1	-20.5	-170.3	-65.1	172.9	0	0	0	113.8	E80 E81 H86 M89 A90 H93	E80-L84 VanDerWaalsContact O-CB 3.31Å; E80-L84 WeakPolarHBondContact O-CB 3.25Å; E80-L84 WeakPolarHBondContact O-CG 3.33Å; E80-L84 PolarHBondContact O-N 2.75Å; E81-L84 PolarHBondContact O-N 2.97Å; L84-H86 PolarHBondContact O-N 3.13Å; L84-M89 HydrophobicContact CD1-CB 4.2Å; L84-A90 HydrophobicContact CD1-CB 4.5Å; L84-H93 VanDerWaalsContact CD1-CD2 3.44Å; L84-H93 WeakPolarHBondContact CD1-CD2 3.41Å
85	R	96.8	Very high	98.1	Very high	210 Å²	210	62.8 Å²	62.8	79%	0.792	29%	0.288	S	S	*	.	S	Bend	trans	55.6	32.2	-172.2	-51	-55	-179	103.1	3.1	112.9	E81 K82	E81-R85 VanDerWaalsContact O-CA 3.27Å; E81-R85 WeakPolarHBondContact O-CA 3.27Å; E81-R85 PolarHBondContact O-N 3.24Å; K82-R85 WeakPolarHBondContact O-CD 3.35Å; K82-R85 PolarHBondContact O-NE 2.97Å
86	H	96.9	Very high	98.1	Very high	68 Å²	68	56.1 Å²	56.1	32%	0.315	26%	0.262	S	S	.	.			trans	-149	110.1	-179	-166.8	-38	0	0	0	110.3	L84 V88 M89 A90 S112	L84-H86 PolarHBondContact O-N 3.13Å; H86-V88 PolarHBondContact ND1-N 3.4Å; H86-M89 HydrophobicContact CB-CB 4.19Å; H86-M89 HydrophobicContact CB-CG 4.41Å; H86-M89 PolarHBondContact ND1-N 3.4Å; H86-M89 PolarHBondContact O-N 2.98Å; H86-A90 WeakPolarHBondContact O-CB 3.46Å; H86-A90 PolarHBondContact O-N 3.37Å; H86-S112 PolarHBondContact CE1-OG 3.47Å; H86-S112 PolarHBondContact NE2-OG 2.85Å; H86-S112 VanDerWaalsContact NE2-OG 3.11Å
87	D	97.6	Very high	98.1	Very high	25 Å²	25	61 Å²	61	13%	0.134	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-46.3	-175.2	61.9	-11	0	0	0	113.1	E81 M89 A90 H91 R338	E81-D87 HydrophobicContact CG-CB 4.4Å; D87-M89 PolarHBondContact O-N 3.27Å; D87-A90 WeakPolarHBondContact O-CB 3.35Å; D87-A90 PolarHBondContact O-N 3.47Å; D87-H91 PolarHBondContact O-CD2 3.24Å; D87-H91 PolarHBondContact O-N 3.42Å; D87-R338 IonicContact OD2-CZ 3.49Å; D87-R338 IonicContact OD2-NH1 2.82Å; D87-R338 IonicContact OD2-NH2 2.91Å; D87-R338 PolarHBondContact OD2-NH2 3.12Å
88	V	98.3	Very high	98.1	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.024	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-50.3	176.9	-178.6	0	0	0	0	111.9	W39 W43 H86 A90 H91 V92 V115	W39-V88 HydrophobicContact CE3-CG2 4.5Å; W39-V88 HydrophobicContact CH2-CB 4.37Å; W39-V88 HydrophobicContact CH2-CG2 3.47Å; W39-V88 VanDerWaalsContact CH2-CG2 3.47Å; W39-V88 HydrophobicContact CZ2-CG2 4.14Å; W39-V88 HydrophobicContact CZ3-CB 4.15Å; W39-V88 HydrophobicContact CZ3-CG2 3.71Å; W43-V88 HydrophobicContact CZ2-CG1 3.95Å; H86-V88 PolarHBondContact ND1-N 3.4Å; V88-A90 VanDerWaalsContact C-N 3.31Å; V88-A90 PolarHBondContact O-N 3Å; V88-H91 CarbonylContact O-C 3.48Å; V88-H91 PolarHBondContact O-N 2.83Å; V88-H91 VanDerWaalsContact O-N 3.11Å; V88-V92 HydrophobicContact CG1-CG2 4.28Å; V88-V92 WeakPolarHBondContact O-CG2 3.27Å; V88-V92 PolarHBondContact O-N 3Å; V88-V115 HydrophobicContact CB-CG2 4.5Å; V88-V115 HydrophobicContact CG1-CG2 3.71Å; V88-V115 HydrophobicContact CG2-CG2 3.95Å
89	M	98.2	Very high	98.2	Very high	67 Å²	67	59.8 Å²	59.8	33%	0.33	27%	0.271	S	S	.	.	H	α-helix	trans	-64.4	-36.5	-179.4	-67.7	-53.2	-57.8	0	0	112.3	L84 H86 D87 H91 V92 H93	L84-M89 HydrophobicContact CD1-CB 4.2Å; H86-M89 HydrophobicContact CB-CB 4.19Å; H86-M89 HydrophobicContact CB-CG 4.41Å; H86-M89 PolarHBondContact ND1-N 3.4Å; H86-M89 PolarHBondContact O-N 2.98Å; D87-M89 PolarHBondContact O-N 3.27Å; M89-H91 VanDerWaalsContact C-N 3.29Å; M89-H91 PolarHBondContact O-N 3.43Å; M89-V92 HydrophobicContact CE-CG1 4.46Å; M89-V92 PolarHBondContact O-N 3.16Å; M89-V92 HydrophobicContact SD-CG2 4.48Å; M89-H93 PolarHBondContact O-CD2 3.5Å; M89-H93 PolarHBondContact O-N 2.98Å
90	A	98.6	Very high	98.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.5	-43.6	172.3	0	0	0	0	0	112.1	E80 E81 L84 H86 D87 V88 T94	E80-A90 HydrophobicContact CB-CB 3.69Å; E81-A90 HydrophobicContact CB-CB 3.78Å; E81-A90 VanDerWaalsContact N-CB 3.29Å; L84-A90 HydrophobicContact CD1-CB 4.5Å; H86-A90 WeakPolarHBondContact O-CB 3.46Å; H86-A90 PolarHBondContact O-N 3.37Å; D87-A90 WeakPolarHBondContact O-CB 3.35Å; D87-A90 PolarHBondContact O-N 3.47Å; V88-A90 VanDerWaalsContact C-N 3.31Å; V88-A90 PolarHBondContact O-N 3Å; A90-T94 WeakPolarHBondContact O-CB 2.98Å; A90-T94 PolarHBondContact O-N 3.06Å; A90-T94 PolarHBondContact O-OG1 3.32Å
91	H	98.8	Very high	98.2	Very high	4 Å²	4	62.8 Å²	62.8	2%	0.019	29%	0.292	C	S	.	.	H	α-helix	trans	-72.5	-31.3	175.6	-84.2	-91.3	0	0	0	113.9	F36 W39 W43 D87 V88 M89 F95	F36-H91 AromaticContact CD1-CD2 3.8Å; F36-H91 AromaticContact CD1-CE1 3.32Å; F36-H91 WeakPolarHBondContact CD1-CE1 3.32Å; F36-H91 AromaticContact CD1-CG 3.9Å; F36-H91 AromaticContact CD1-ND1 3.61Å; F36-H91 AromaticContact CD1-NE2 3.43Å; F36-H91 WeakPolarHBondContact CD1-NE2 3.34Å; F36-H91 AromaticContact CD2-CE1 3.59Å; F36-H91 AromaticContact CD2-NE2 3.88Å; F36-H91 AromaticContact CE1-CD2 3.56Å; F36-H91 AromaticContact CE1-CE1 3.65Å; F36-H91 AromaticContact CE1-NE2 3.23Å; F36-H91 WeakPolarHBondContact CE1-NE2 3.47Å; F36-H91 AromaticContact CE2-CE1 3.9Å; F36-H91 AromaticContact CE2-NE2 3.7Å; F36-H91 AromaticContact CG-CE1 3.29Å; F36-H91 WeakPolarHBondContact CG-CE1 3.42Å; F36-H91 AromaticContact CG-ND1 3.81Å; F36-H91 AromaticContact CG-NE2 3.76Å; F36-H91 AromaticContact CZ-CE1 3.92Å; F36-H91 AromaticContact CZ-NE2 3.36Å; F36-H91 WeakPolarHBondContact CZ-NE2 3.27Å; W39-H91 HydrophobicContact CE3-CB 3.97Å; W39-H91 HydrophobicContact CZ3-CB 4.08Å; W43-H91 HydrophobicContact CH2-CB 3.9Å; W43-H91 HydrophobicContact CZ3-CB 4.36Å; D87-H91 PolarHBondContact O-CD2 3.24Å; D87-H91 PolarHBondContact O-N 3.42Å; V88-H91 CarbonylContact O-C 3.48Å; V88-H91 PolarHBondContact O-N 2.83Å; V88-H91 VanDerWaalsContact O-N 3.11Å; M89-H91 VanDerWaalsContact C-N 3.29Å; M89-H91 PolarHBondContact O-N 3.43Å; H91-F95 VanDerWaalsContact O-CB 3.26Å; H91-F95 WeakPolarHBondContact O-CB 3.35Å; H91-F95 PolarHBondContact O-N 3Å
92	V	98.7	Very high	98.2	Very high	16 Å²	16	58.9 Å²	58.9	10%	0.097	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-49.3	171.2	171	0	0	0	0	110	W43 V88 M89 F95 G96 I106 H107	W43-V92 HydrophobicContact CH2-CG2 3.85Å; W43-V92 HydrophobicContact CZ2-CG2 3.37Å; V88-V92 HydrophobicContact CG1-CG2 4.28Å; V88-V92 WeakPolarHBondContact O-CG2 3.27Å; V88-V92 PolarHBondContact O-N 3Å; M89-V92 HydrophobicContact CE-CG1 4.46Å; M89-V92 PolarHBondContact O-N 3.16Å; M89-V92 HydrophobicContact SD-CG2 4.48Å; V92-F95 PolarHBondContact O-N 3.39Å; V92-G96 PolarHBondContact O-N 2.97Å; V92-I106 HydrophobicContact CG1-CG2 4.06Å; V92-I106 HydrophobicContact CG2-CG2 4.4Å; V92-H107 HydrophobicContact CG2-CB 4Å
93	H	98.3	Very high	98.2	Very high	84 Å²	84	53.1 Å²	53.1	39%	0.389	26%	0.256	S	S	.	.	H	α-helix	trans	-62.3	-45.2	176.7	-77.5	-71.4	0	0	0	112.2	L84 M89 F95 G96 H97	L84-H93 VanDerWaalsContact CD1-CD2 3.44Å; L84-H93 WeakPolarHBondContact CD1-CD2 3.41Å; M89-H93 PolarHBondContact O-CD2 3.5Å; M89-H93 PolarHBondContact O-N 2.98Å; H93-F95 VanDerWaalsContact C-N 3.31Å; H93-F95 PolarHBondContact O-N 3.23Å; H93-G96 PolarHBondContact O-N 3.21Å; H93-H97 WeakPolarHBondContact O-CB 3.44Å; H93-H97 PolarHBondContact O-N 3.29Å
94	T	98.7	Very high	98.2	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-62.5	-38.3	178.3	-56.2	0	0	0	0	111.7	D73 M76 A77 A90	D73-T94 HydrophobicContact CB-CG2 4.25Å; M76-T94 HydrophobicContact CB-CG2 4.24Å; M76-T94 HydrophobicContact CG-CG2 4.27Å; M76-T94 HydrophobicContact SD-CG2 4.16Å; A77-T94 WeakPolarHBondContact CA-OG1 3.46Å; A77-T94 HydrophobicContact CB-CG2 4.31Å; A90-T94 WeakPolarHBondContact O-CB 2.98Å; A90-T94 PolarHBondContact O-N 3.06Å; A90-T94 PolarHBondContact O-OG1 3.32Å
95	F	98.8	Very high	98.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-74.2	-40.1	177.2	-167.7	-152.1	0	0	0	112.1	R40 W43 M65 N68 H91 V92 H93 H97 C98 C99 I106	R40-F95 HydrophobicContact CB-CD1 4.43Å; R40-F95 HydrophobicContact CB-CE1 3.95Å; R40-F95 HydrophobicContact CB-CE2 4.4Å; R40-F95 HydrophobicContact CB-CZ 3.92Å; R40-F95 HydrophobicContact CG-CD1 3.86Å; R40-F95 HydrophobicContact CG-CD2 4.03Å; R40-F95 HydrophobicContact CG-CE1 3.86Å; R40-F95 HydrophobicContact CG-CE2 4.04Å; R40-F95 HydrophobicContact CG-CG 3.95Å; R40-F95 HydrophobicContact CG-CZ 3.94Å; W43-F95 HydrophobicContact CB-CE1 4.4Å; W43-F95 AromaticContact CE3-CD1 3.65Å; W43-F95 HydrophobicContact CE3-CD1 3.65Å; W43-F95 HydrophobicContact CE3-CE1 4.16Å; W43-F95 HydrophobicContact CZ3-CD1 4.2Å; M65-F95 HydrophobicContact CB-CE1 4.31Å; M65-F95 HydrophobicContact CB-CZ 3.81Å; M65-F95 HydrophobicContact CE-CE1 3.9Å; M65-F95 HydrophobicContact CG-CE1 4.18Å; M65-F95 HydrophobicContact CG-CZ 4.05Å; N68-F95 HydrophobicContact CB-CE2 3.92Å; H91-F95 VanDerWaalsContact O-CB 3.26Å; H91-F95 WeakPolarHBondContact O-CB 3.35Å; H91-F95 PolarHBondContact O-N 3Å; V92-F95 PolarHBondContact O-N 3.39Å; H93-F95 VanDerWaalsContact C-N 3.31Å; H93-F95 PolarHBondContact O-N 3.23Å; F95-H97 PolarHBondContact O-N 3.01Å; F95-C98 PolarHBondContact O-N 3.45Å; F95-C98 PolarHBondContact O-SG 3.47Å; F95-C99 VanDerWaalsContact CE2-SG 3.5Å; F95-C99 WeakPolarHBondContact O-CB 3.26Å; F95-C99 PolarHBondContact O-N 3.34Å; F95-I106 HydrophobicContact CB-CD1 4.3Å; F95-I106 HydrophobicContact CD1-CD1 3.68Å; F95-I106 HydrophobicContact CD1-CG1 4.28Å; F95-I106 HydrophobicContact CD1-CG2 4.22Å; F95-I106 HydrophobicContact CE1-CD1 4.25Å; F95-I106 HydrophobicContact CG-CD1 4.03Å
96	G	98.7	Very high	98.4	Very high	10 Å²	10	38.3 Å²	38.3	10%	0.103	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-30	172.5	0	0	0	0	0	113.1	V92 H93 C99 P100	V92-G96 PolarHBondContact O-N 2.97Å; H93-G96 PolarHBondContact O-N 3.21Å; G96-C99 CarbonylContact O-C 3.44Å; G96-C99 PolarHBondContact O-N 2.86Å; G96-P100 WeakPolarHBondContact O-CA 3.48Å
97	H	98.5	Very high	98.4	Very high	137 Å²	137	36.2 Å²	36.2	63%	0.634	21%	0.211	S	C	*	.	H	α-helix	trans	-64.9	-43.9	176	-172.6	73.6	0	0	0	112.7	M76 H93 F95 C99	M76-H97 HydrophobicContact CE-CB 3.75Å; M76-H97 HydrophobicContact SD-CB 4.05Å; H93-H97 WeakPolarHBondContact O-CB 3.44Å; H93-H97 PolarHBondContact O-N 3.29Å; F95-H97 PolarHBondContact O-N 3.01Å; H97-C99 VanDerWaalsContact C-N 3.33Å
98	C	98.3	Very high	98.5	Very high	34 Å²	34	37.4 Å²	37.4	23%	0.23	22%	0.217	C	C	.	.	H	α-helix	trans	-83.1	-8.4	174.5	61.6	0	0	0	0	113.9	F95	F95-C98 PolarHBondContact O-N 3.45Å; F95-C98 PolarHBondContact O-SG 3.47Å
99	C	98.6	Very high	98.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.226	C	C	.	.			trans	-129.2	66.2	177.4	-57.4	0	0	0	0	110.9	E64 F95 G96 H97 K101 A102 A103 I106	E64-C99 VanDerWaalsContact CD-CA 3.45Å; E64-C99 HydrophobicContact CG-CB 3.9Å; E64-C99 WeakPolarHBondContact OE2-CA 3.34Å; E64-C99 WeakPolarHBondContact OE2-CB 3.5Å; F95-C99 VanDerWaalsContact CE2-SG 3.5Å; F95-C99 WeakPolarHBondContact O-CB 3.26Å; F95-C99 PolarHBondContact O-N 3.34Å; G96-C99 CarbonylContact O-C 3.44Å; G96-C99 PolarHBondContact O-N 2.86Å; H97-C99 VanDerWaalsContact C-N 3.33Å; C99-K101 VanDerWaalsContact C-N 3.28Å; C99-K101 PolarHBondContact O-N 3.14Å; C99-A102 HydrophobicContact CB-CB 4.05Å; C99-A102 CarbonylContact O-C 3.49Å; C99-A102 PolarHBondContact O-N 2.92Å; C99-A102 VanDerWaalsContact O-N 3.11Å; C99-A103 PolarHBondContact O-N 3.4Å; C99-I106 HydrophobicContact CB-CD1 4.49Å
100	P	98.5	Very high	98.4	Very high	92 Å²	92	35.9 Å²	35.9	60%	0.597	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-29.9	-171.8	25.3	-35.8	0	0	0	113.7	E64 G96	E64-P100 WeakPolarHBondContact OE1-CD 3.35Å; G96-P100 WeakPolarHBondContact O-CA 3.48Å
101	K	98.4	Very high	98.4	Very high	116 Å²	116	36.6 Å²	36.6	50%	0.504	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-38.5	176.1	-61.5	179.9	174	-172.9	0	110.7	E60 Q61 E64 C99	E60-K101 IonicContact OE2-NZ 2.7Å; E60-K101 PolarHBondContact OE2-NZ 2.94Å; Q61-K101 HydrophobicContact CG-CB 4.25Å; Q61-K101 WeakPolarHBondContact CG-O 3.49Å; Q61-K101 PolarHBondContact NE2-O 2.85Å; E64-K101 WeakPolarHBondContact OE2-CA 3.36Å; E64-K101 WeakPolarHBondContact OE2-CB 3.14Å; E64-K101 PolarHBondContact OE2-N 3.27Å; C99-K101 VanDerWaalsContact C-N 3.28Å; C99-K101 PolarHBondContact O-N 3.14Å
102	A	98.6	Very high	98.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-14.4	179.6	0	0	0	0	0	114.1	Q61 E64 M65 C99 G104 I105 I106	Q61-A102 HydrophobicContact CB-CB 3.97Å; Q61-A102 HydrophobicContact CG-CB 4.42Å; E64-A102 PolarHBondContact OE2-N 2.89Å; M65-A102 HydrophobicContact CG-CB 3.52Å; M65-A102 HydrophobicContact SD-CB 3.85Å; C99-A102 HydrophobicContact CB-CB 4.05Å; C99-A102 CarbonylContact O-C 3.49Å; C99-A102 PolarHBondContact O-N 2.92Å; C99-A102 VanDerWaalsContact O-N 3.11Å; A102-G104 PolarHBondContact O-N 3.29Å; A102-I105 HydrophobicContact CB-CD1 4.1Å; A102-I105 WeakPolarHBondContact O-CD1 3.28Å; A102-I105 WeakPolarHBondContact O-CG1 3.36Å; A102-I105 PolarHBondContact O-N 2.91Å; A102-I106 HydrophobicContact CB-CD1 4.39Å; A102-I106 HydrophobicContact CB-CG1 4.41Å; A102-I106 WeakPolarHBondContact O-CG1 3.46Å; A102-I106 PolarHBondContact O-N 3.19Å
103	A	98.3	Very high	98.3	Very high	41 Å²	41	37.2 Å²	37.2	34%	0.339	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-38.5	-171.2	0	0	0	0	0	114.6	C99	C99-A103 PolarHBondContact O-N 3.4Å
104	G	97.9	Very high	98.3	Very high	73 Å²	73	33.2 Å²	33.2	75%	0.753	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-16.6	-179	0	0	0	0	0	115.6	A102	A102-G104 PolarHBondContact O-N 3.29Å
105	I	98.5	Very high	98.3	Very high	20 Å²	20	33.1 Å²	33.1	10%	0.103	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-9.2	-178.4	61.3	68	0	0	0	113.1	A47 I57 M65 A102 H107 L108	A47-I105 HydrophobicContact CB-CD1 4.2Å; I57-I105 HydrophobicContact CG1-CB 4.32Å; I57-I105 HydrophobicContact CG1-CG1 4.45Å; I57-I105 HydrophobicContact CG1-CG2 4.3Å; I57-I105 HydrophobicContact CG2-CG1 4.47Å; M65-I105 HydrophobicContact SD-CD1 3.75Å; A102-I105 HydrophobicContact CB-CD1 4.1Å; A102-I105 WeakPolarHBondContact O-CD1 3.28Å; A102-I105 WeakPolarHBondContact O-CG1 3.36Å; A102-I105 PolarHBondContact O-N 2.91Å; I105-H107 PolarHBondContact O-N 2.89Å; I105-L108 WeakPolarHBondContact O-CB 3.45Å; I105-L108 PolarHBondContact O-N 2.76Å
106	I	98.6	Very high	98.3	Very high	11 Å²	11	33.8 Å²	33.8	6%	0.056	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	127.6	176.2	-68.2	166.6	0	0	0	108.3	W43 M65 V92 F95 C99 A102 L108	W43-I106 HydrophobicContact CB-CG2 4.47Å; W43-I106 HydrophobicContact CD2-CG2 3.94Å; W43-I106 HydrophobicContact CE3-CG2 4.31Å; W43-I106 HydrophobicContact CG-CG2 4Å; M65-I106 HydrophobicContact CE-CG1 4.06Å; M65-I106 HydrophobicContact SD-CG1 4.22Å; V92-I106 HydrophobicContact CG1-CG2 4.06Å; V92-I106 HydrophobicContact CG2-CG2 4.4Å; F95-I106 HydrophobicContact CB-CD1 4.3Å; F95-I106 HydrophobicContact CD1-CD1 3.68Å; F95-I106 HydrophobicContact CD1-CG1 4.28Å; F95-I106 HydrophobicContact CD1-CG2 4.22Å; F95-I106 HydrophobicContact CE1-CD1 4.25Å; F95-I106 HydrophobicContact CG-CD1 4.03Å; C99-I106 HydrophobicContact CB-CD1 4.49Å; A102-I106 HydrophobicContact CB-CD1 4.39Å; A102-I106 HydrophobicContact CB-CG1 4.41Å; A102-I106 WeakPolarHBondContact O-CG1 3.46Å; A102-I106 PolarHBondContact O-N 3.19Å; I106-L108 VanDerWaalsContact C-N 3.28Å; I106-L108 PolarHBondContact O-N 3.48Å
107	H	98.5	Very high	98.3	Very high	24 Å²	24	33.5 Å²	33.5	11%	0.111	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	16.3	179.4	-154	56.2	0	0	0	115.3	W43 V92 I105 G109 A110 T111	W43-H107 AromaticContact CD1-ND1 3.84Å; W43-H107 AromaticContact NE1-CE1 4Å; W43-H107 AromaticContact NE1-CG 3.56Å; W43-H107 AromaticContact NE1-ND1 3.02Å; W43-H107 PolarHBondContact NE1-ND1 3.24Å; V92-H107 HydrophobicContact CG2-CB 4Å; I105-H107 PolarHBondContact O-N 2.89Å; H107-G109 PolarHBondContact O-N 3.31Å; H107-A110 WeakPolarHBondContact ND1-CB 3.5Å; H107-A110 PolarHBondContact O-N 3.14Å; H107-A110 VanDerWaalsContact O-N 3.1Å; H107-T111 PolarHBondContact CE1-O 2.75Å; H107-T111 VanDerWaalsContact NE2-C 3.34Å
108	L	98.4	Very high	98.3	Very high	49 Å²	49	27 Å²	27	26%	0.257	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	127.9	178.2	-173.7	61.3	0	0	0	111.3	L55 I105 I106 A110 L211	L55-L108 HydrophobicContact CD1-CD2 4.15Å; I105-L108 WeakPolarHBondContact O-CB 3.45Å; I105-L108 PolarHBondContact O-N 2.76Å; I106-L108 VanDerWaalsContact C-N 3.28Å; I106-L108 PolarHBondContact O-N 3.48Å; L108-A110 PolarHBondContact O-N 2.96Å; L108-L211 HydrophobicContact CD1-CD1 4.46Å; L108-L211 HydrophobicContact CD1-CD2 3.97Å; L108-L211 HydrophobicContact CD2-CD2 4.31Å; L108-L211 HydrophobicContact CG-CD1 3.92Å; L108-L211 HydrophobicContact CG-CD2 4.05Å
109	G	97.4	Very high	98.3	Very high	21 Å²	21	25.3 Å²	25.3	22%	0.216	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	-12.1	-179.6	0	0	0	0	0	116.7	H107 S207 F208 L211	H107-G109 PolarHBondContact O-N 3.31Å; G109-S207 VanDerWaalsContact O-CB 3.28Å; G109-S207 WeakPolarHBondContact O-CB 3.36Å; G109-S207 PolarHBondContact O-OG 3.45Å; G109-F208 VanDerWaalsContact C-CZ 3.48Å; G109-F208 WeakPolarHBondContact O-CE2 3.47Å; G109-F208 WeakPolarHBondContact O-CZ 3.45Å; G109-L211 VanDerWaalsContact CA-CD1 3.46Å
110	A	98	Very high	98.3	Very high	18 Å²	18	27 Å²	27	15%	0.149	18%	0.179	C	C	.	.			trans	-85	172	-173.6	0	0	0	0	0	113	L46 H107 L108 Y114 F208	L46-A110 HydrophobicContact CD2-CB 4Å; H107-A110 WeakPolarHBondContact ND1-CB 3.5Å; H107-A110 PolarHBondContact O-N 3.14Å; H107-A110 VanDerWaalsContact O-N 3.1Å; L108-A110 PolarHBondContact O-N 2.96Å; A110-Y114 HydrophobicContact CB-CD1 4.19Å; A110-Y114 HydrophobicContact CB-CG 4.11Å; A110-F208 HydrophobicContact CB-CZ 4Å
111	T	96.9	Very high	98.4	Very high	15 Å²	15	22.6 Å²	22.6	9%	0.092	15%	0.151	C	C	.	.			trans	-124.1	164.6	170.7	-175.1	0	0	0	0	108.9	H107 C113 Y114 G200	H107-T111 PolarHBondContact CE1-O 2.75Å; H107-T111 VanDerWaalsContact NE2-C 3.34Å; T111-C113 HydrophobicContact CG2-CB 4.19Å; T111-C113 PolarHBondContact O-N 2.89Å; T111-Y114 WeakPolarHBondContact O-CB 3.25Å; T111-Y114 PolarHBondContact O-N 3.36Å; T111-G200 WeakPolarHBondContact CG2-O 3.45Å
112	S	97.4	Very high	98.4	Very high	29 Å²	29	17.3 Å²	17.3	20%	0.203	13%	0.128	C	C	.	.	H	α-helix	trans	-46.6	-37.5	179.3	-55	0	0	0	0	114.2	H86 Y114 V115 G116	H86-S112 PolarHBondContact CE1-OG 3.47Å; H86-S112 PolarHBondContact NE2-OG 2.85Å; H86-S112 VanDerWaalsContact NE2-OG 3.11Å; S112-Y114 PolarHBondContact O-N 3.2Å; S112-V115 WeakPolarHBondContact O-CG2 3.11Å; S112-V115 PolarHBondContact O-N 3.46Å; S112-G116 PolarHBondContact O-N 2.94Å
113	C	98.3	Very high	98.4	Very high	4 Å²	4	17.8 Å²	17.8	3%	0.027	13%	0.13	C	C	.	.	H	α-helix	trans	-70	-15.7	177.9	-63.2	0	0	0	0	114.2	T111 V115 D117 Q241 R329	T111-C113 HydrophobicContact CG2-CB 4.19Å; T111-C113 PolarHBondContact O-N 2.89Å; C113-V115 VanDerWaalsContact C-N 3.3Å; C113-V115 PolarHBondContact O-N 3.23Å; C113-D117 HydrophobicContact CB-CB 4.29Å; C113-D117 VanDerWaalsContact O-CB 3.32Å; C113-D117 WeakPolarHBondContact O-CB 3.41Å; C113-D117 PolarHBondContact O-N 3.15Å; C113-D117 VanDerWaalsContact O-N 3.1Å; C113-Q241 HydrophobicContact CB-CG 4.41Å; C113-Q241 WeakPolarHBondContact CB-O 3.47Å; C113-R329 PolarHBondContact SG-NH1 2.99Å
114	Y	98.8	Very high	98.4	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-59.7	-44.1	171.2	174.9	-108.2	0	0	0	111	L42 L46 A110 T111 S112 N118 V198	L42-Y114 HydrophobicContact CB-CE1 3.87Å; L42-Y114 PolarHBondContact O-OH 3.05Å; L46-Y114 HydrophobicContact CB-CE1 3.88Å; L46-Y114 HydrophobicContact CD2-CD1 4.21Å; L46-Y114 HydrophobicContact CD2-CE1 3.91Å; L46-Y114 HydrophobicContact CG-CE1 4.35Å; A110-Y114 HydrophobicContact CB-CD1 4.19Å; A110-Y114 HydrophobicContact CB-CG 4.11Å; T111-Y114 WeakPolarHBondContact O-CB 3.25Å; T111-Y114 PolarHBondContact O-N 3.36Å; S112-Y114 PolarHBondContact O-N 3.2Å; Y114-N118 VanDerWaalsContact O-CB 3.23Å; Y114-N118 WeakPolarHBondContact O-CB 3.45Å; Y114-N118 PolarHBondContact O-ND2 2.98Å; Y114-V198 HydrophobicContact CD2-CG1 3.73Å; Y114-V198 HydrophobicContact CE2-CG1 3.57Å
115	V	98.7	Very high	98.5	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-90.7	-38.7	176.2	-63.9	0	0	0	0	112.5	W39 L42 W43 V88 S112 C113 T119	W39-V115 HydrophobicContact CB-CB 4.01Å; W39-V115 HydrophobicContact CB-CG1 4.3Å; W39-V115 HydrophobicContact CD2-CB 3.93Å; W39-V115 HydrophobicContact CD2-CG2 3.65Å; W39-V115 HydrophobicContact CE3-CG2 3.92Å; W39-V115 HydrophobicContact CG-CB 3.68Å; W39-V115 HydrophobicContact CG-CG1 4.48Å; W39-V115 HydrophobicContact CG-CG2 3.98Å; W39-V115 HydrophobicContact CZ2-CG2 4.36Å; W39-V115 HydrophobicContact CZ3-CG2 4.44Å; W39-V115 PolarHBondContact NE1-O 3.21Å; L42-V115 HydrophobicContact CB-CG1 4.18Å; W43-V115 HydrophobicContact CD2-CG1 3.97Å; W43-V115 VanDerWaalsContact CE2-CG1 3.5Å; W43-V115 HydrophobicContact CG-CG1 4.18Å; W43-V115 HydrophobicContact CZ2-CB 4.49Å; W43-V115 HydrophobicContact CZ2-CG1 3.89Å; W43-V115 HydrophobicContact CZ2-CG2 3.97Å; V88-V115 HydrophobicContact CB-CG2 4.5Å; V88-V115 HydrophobicContact CG1-CG2 3.71Å; V88-V115 HydrophobicContact CG2-CG2 3.95Å; S112-V115 WeakPolarHBondContact O-CG2 3.11Å; S112-V115 PolarHBondContact O-N 3.46Å; C113-V115 VanDerWaalsContact C-N 3.3Å; C113-V115 PolarHBondContact O-N 3.23Å; V115-T119 WeakPolarHBondContact O-CB 3.41Å; V115-T119 PolarHBondContact O-N 3.17Å; V115-T119 PolarHBondContact O-OG1 3.08Å
116	G	98.4	Very high	98.5	Very high	14 Å²	14	14.7 Å²	14.7	14%	0.144	9%	0.089	C	C	.	.	H	α-helix	trans	-62.5	-64.4	-179.4	0	0	0	0	0	112.5	S112 T119 D120	S112-G116 PolarHBondContact O-N 2.94Å; G116-T119 PolarHBondContact O-N 2.74Å; G116-D120 PolarHBondContact O-N 2.65Å
117	D	98.8	Very high	98.5	Very high	4 Å²	4	14.2 Å²	14.2	2%	0.021	9%	0.086	C	C	.	.	H	α-helix	trans	-70.3	-39.1	-172.1	-90.3	39	0	0	0	113	C113 T119 D120 L121 T242 Y243 R245 R329	C113-D117 HydrophobicContact CB-CB 4.29Å; C113-D117 VanDerWaalsContact O-CB 3.32Å; C113-D117 WeakPolarHBondContact O-CB 3.41Å; C113-D117 PolarHBondContact O-N 3.15Å; C113-D117 VanDerWaalsContact O-N 3.1Å; D117-T119 VanDerWaalsContact C-N 3.32Å; D117-T119 PolarHBondContact O-N 3.37Å; D117-D120 PolarHBondContact O-N 3.32Å; D117-L121 WeakPolarHBondContact O-CG 3.2Å; D117-L121 PolarHBondContact O-N 3.23Å; D117-T242 WeakPolarHBondContact OD2-CA 3.13Å; D117-T242 WeakPolarHBondContact OD2-CB 3.14Å; D117-Y243 HydrophobicContact CB-CD1 3.78Å; D117-Y243 HydrophobicContact CB-CE1 4.09Å; D117-Y243 WeakPolarHBondContact OD2-CD1 3.4Å; D117-Y243 PolarHBondContact OD2-N 2.7Å; D117-R245 IonicContact OD1-CZ 2.72Å; D117-R245 IonicContact OD1-NH1 2.84Å; D117-R245 PolarHBondContact OD1-NH1 2.82Å; D117-R245 IonicContact OD1-NH2 2.65Å; D117-R245 PolarHBondContact OD1-NH2 3.19Å; D117-R245 IonicContact OD2-CZ 3.6Å; D117-R245 IonicContact OD2-NH1 2.97Å; D117-R245 PolarHBondContact OD2-NH1 3.17Å; D117-R245 IonicContact OD2-NH2 3.99Å; D117-R245 PolarHBondContact OD2-NH2 3.36Å; D117-R329 IonicContact OD1-NH1 3.34Å
118	N	98.9	Very high	98.5	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-67.2	-34.7	176.4	-74	-45.8	0	0	0	112	L42 Y114 L121 I122 F195 R196 G197	L42-N118 HydrophobicContact CD1-CB 3.88Å; L42-N118 HydrophobicContact CD2-CB 4Å; Y114-N118 VanDerWaalsContact O-CB 3.23Å; Y114-N118 WeakPolarHBondContact O-CB 3.45Å; Y114-N118 PolarHBondContact O-ND2 2.98Å; N118-L121 PolarHBondContact O-N 3.44Å; N118-I122 VanDerWaalsContact O-CG1 3.3Å; N118-I122 WeakPolarHBondContact O-CG1 3.4Å; N118-I122 PolarHBondContact O-N 3.37Å; N118-F195 HydrophobicContact CB-CD2 4.39Å; N118-F195 HydrophobicContact CB-CE1 4.25Å; N118-F195 HydrophobicContact CB-CE2 3.49Å; N118-F195 VanDerWaalsContact CB-CE2 3.49Å; N118-F195 HydrophobicContact CB-CZ 3.42Å; N118-F195 VanDerWaalsContact CB-CZ 3.42Å; N118-F195 WeakPolarHBondContact OD1-CD2 3.36Å; N118-F195 WeakPolarHBondContact OD1-CE1 3.23Å; N118-F195 VanDerWaalsContact OD1-CE2 3.29Å; N118-F195 WeakPolarHBondContact OD1-CE2 3.2Å; N118-F195 VanDerWaalsContact OD1-CZ 3.24Å; N118-F195 WeakPolarHBondContact OD1-CZ 3.34Å; N118-R196 VanDerWaalsContact OD1-CB 3.31Å; N118-R196 WeakPolarHBondContact OD1-CB 3.45Å; N118-R196 PolarHBondContact OD1-N 3.15Å; N118-G197 PolarHBondContact ND2-O 2.76Å; N118-G197 VanDerWaalsContact ND2-O 3.07Å; N118-G197 PolarHBondContact OD1-N 3.33Å
119	T	98.9	Very high	98.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65.9	-44.6	172.7	-62.3	0	0	0	0	110.9	K35 T38 L42 V115 G116 D117 L121 I122 I123	K35-T119 HydrophobicContact CB-CG2 4.49Å; K35-T119 HydrophobicContact CG-CG2 4.14Å; T38-T119 HydrophobicContact CG2-CG2 3.83Å; L42-T119 WeakPolarHBondContact CD1-OG1 3.36Å; V115-T119 WeakPolarHBondContact O-CB 3.41Å; V115-T119 PolarHBondContact O-N 3.17Å; V115-T119 PolarHBondContact O-OG1 3.08Å; G116-T119 PolarHBondContact O-N 2.74Å; D117-T119 VanDerWaalsContact C-N 3.32Å; D117-T119 PolarHBondContact O-N 3.37Å; T119-L121 VanDerWaalsContact C-N 3.3Å; T119-L121 PolarHBondContact O-N 2.89Å; T119-I122 PolarHBondContact O-N 3.06Å; T119-I122 VanDerWaalsContact O-N 3.13Å; T119-I123 HydrophobicContact CG2-CD1 3.79Å; T119-I123 HydrophobicContact CG2-CG1 4.27Å; T119-I123 WeakPolarHBondContact O-CB 3.38Å; T119-I123 WeakPolarHBondContact O-CG1 3.38Å; T119-I123 PolarHBondContact O-N 3.34Å
120	D	98.8	Very high	98.6	Very high	34 Å²	34	14.7 Å²	14.7	18%	0.182	8%	0.084	C	C	.	.	H	α-helix	trans	-57.2	-44.3	175.9	-69.5	-12.8	0	0	0	110.7	G116 D117 I122 I123 L124 R337	G116-D120 PolarHBondContact O-N 2.65Å; D117-D120 PolarHBondContact O-N 3.32Å; D120-I122 PolarHBondContact O-N 2.88Å; D120-I123 WeakPolarHBondContact O-CB 3.48Å; D120-I123 PolarHBondContact O-N 3.36Å; D120-L124 WeakPolarHBondContact O-CB 3.16Å; D120-L124 VanDerWaalsContact O-CG 3.22Å; D120-L124 WeakPolarHBondContact O-CG 3.13Å; D120-L124 PolarHBondContact O-N 3.33Å; D120-R337 IonicContact OD2-CZ 3.48Å; D120-R337 IonicContact OD2-NH1 3.54Å; D120-R337 PolarHBondContact OD2-NH1 3.34Å; D120-R337 IonicContact OD2-NH2 2.74Å; D120-R337 PolarHBondContact OD2-NH2 2.9Å
121	L	98.9	Very high	98.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.6	-38.7	176.2	-69.3	166.2	0	0	0	113.1	D117 N118 T119 R125 L193 R194 R196 F232 Y243 V247	D117-L121 WeakPolarHBondContact O-CG 3.2Å; D117-L121 PolarHBondContact O-N 3.23Å; N118-L121 PolarHBondContact O-N 3.44Å; T119-L121 VanDerWaalsContact C-N 3.3Å; T119-L121 PolarHBondContact O-N 2.89Å; L121-R125 WeakPolarHBondContact O-CB 3.32Å; L121-R125 PolarHBondContact O-N 3.42Å; L121-L193 HydrophobicContact CD2-CD1 3.99Å; L121-L193 HydrophobicContact CD2-CD2 4.43Å; L121-L193 HydrophobicContact CD2-CG 4.2Å; L121-R194 WeakPolarHBondContact CD1-O 3.37Å; L121-R196 HydrophobicContact CD1-CB 4.04Å; L121-F232 HydrophobicContact CB-CZ 4.19Å; L121-Y243 HydrophobicContact CD1-CD1 3.72Å; L121-Y243 HydrophobicContact CD1-CE1 4.3Å; L121-Y243 HydrophobicContact CD1-CG 4.2Å; L121-Y243 HydrophobicContact CD2-CD1 3.99Å; L121-Y243 HydrophobicContact CD2-CD2 4.44Å; L121-Y243 HydrophobicContact CD2-CE1 4Å; L121-Y243 HydrophobicContact CD2-CE2 4.48Å; L121-Y243 HydrophobicContact CD2-CG 4.22Å; L121-Y243 HydrophobicContact CG-CD1 3.77Å; L121-Y243 HydrophobicContact CG-CE1 3.84Å; L121-Y243 HydrophobicContact CG-CG 4.41Å; L121-V247 HydrophobicContact CD2-CG1 4.49Å
122	I	98.9	Very high	98.7	Very high	6 Å²	6	13.3 Å²	13.3	3%	0.031	7%	0.074	C	C	.	.	H	α-helix	trans	-63.9	-44.3	173.6	-70.5	164.1	0	0	0	110.4	T38 L42 W45 N118 T119 D120 R125 N126 F195 A230 F232	T38-I122 HydrophobicContact CG2-CD1 3.85Å; T38-I122 HydrophobicContact CG2-CG2 4.41Å; L42-I122 HydrophobicContact CD2-CD1 4.31Å; W45-I122 HydrophobicContact CZ3-CD1 4.26Å; N118-I122 VanDerWaalsContact O-CG1 3.3Å; N118-I122 WeakPolarHBondContact O-CG1 3.4Å; N118-I122 PolarHBondContact O-N 3.37Å; T119-I122 PolarHBondContact O-N 3.06Å; T119-I122 VanDerWaalsContact O-N 3.13Å; D120-I122 PolarHBondContact O-N 2.88Å; I122-R125 PolarHBondContact O-N 3.29Å; I122-N126 WeakPolarHBondContact O-CB 3.42Å; I122-N126 PolarHBondContact O-N 2.89Å; I122-N126 PolarHBondContact O-ND2 2.99Å; I122-N126 PolarHBondContact O-OD1 3.19Å; I122-F195 HydrophobicContact CD1-CE2 4.22Å; I122-F195 HydrophobicContact CG1-CE2 4.22Å; I122-A230 HydrophobicContact CD1-CB 4.44Å; I122-F232 HydrophobicContact CG1-CE2 3.92Å
123	I	98.9	Very high	98.8	Very high	10 Å²	10	13.2 Å²	13.2	5%	0.051	7%	0.073	C	C	.	.	H	α-helix	trans	-59.7	-50.7	176.5	-74	173.3	0	0	0	110.2	V29 F30 Y34 T119 D120 R125 N126 A127	V29-I123 HydrophobicContact CG1-CB 4.45Å; V29-I123 HydrophobicContact CG1-CG2 3.87Å; F30-I123 HydrophobicContact CD1-CG2 3.71Å; F30-I123 HydrophobicContact CE1-CG2 3.34Å; F30-I123 HydrophobicContact CE2-CG2 4.32Å; F30-I123 HydrophobicContact CG-CG2 4.35Å; F30-I123 HydrophobicContact CZ-CG2 3.69Å; Y34-I123 HydrophobicContact CD1-CD1 4.47Å; Y34-I123 HydrophobicContact CD1-CG1 3.96Å; Y34-I123 HydrophobicContact CE1-CG1 3.96Å; T119-I123 HydrophobicContact CG2-CD1 3.79Å; T119-I123 HydrophobicContact CG2-CG1 4.27Å; T119-I123 WeakPolarHBondContact O-CB 3.38Å; T119-I123 WeakPolarHBondContact O-CG1 3.38Å; T119-I123 PolarHBondContact O-N 3.34Å; D120-I123 WeakPolarHBondContact O-CB 3.48Å; D120-I123 PolarHBondContact O-N 3.36Å; I123-R125 PolarHBondContact O-N 2.87Å; I123-N126 PolarHBondContact O-N 3.41Å; I123-A127 VanDerWaalsContact O-CB 3.26Å; I123-A127 WeakPolarHBondContact O-CB 3.34Å; I123-A127 PolarHBondContact O-N 3.35Å
124	L	98.9	Very high	98.8	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-59.3	-44.9	179.4	-68.6	174.7	0	0	0	111.7	D120 A127 L128 L193 V251 F345	D120-L124 WeakPolarHBondContact O-CB 3.16Å; D120-L124 VanDerWaalsContact O-CG 3.22Å; D120-L124 WeakPolarHBondContact O-CG 3.13Å; D120-L124 PolarHBondContact O-N 3.33Å; L124-A127 PolarHBondContact O-N 3.35Å; L124-L128 VanDerWaalsContact O-CG 3.32Å; L124-L128 WeakPolarHBondContact O-CG 3.48Å; L124-L128 PolarHBondContact O-N 3.45Å; L124-L193 HydrophobicContact CB-CD2 4.29Å; L124-V251 HydrophobicContact CD2-CG1 4.4Å; L124-F345 HydrophobicContact CD2-CD2 4.23Å; L124-F345 HydrophobicContact CD2-CE2 3.42Å; L124-F345 VanDerWaalsContact CD2-CE2 3.42Å; L124-F345 HydrophobicContact CD2-CZ 4.06Å
125	R	98.9	Very high	98.8	Very high	33 Å²	33	13.8 Å²	13.8	13%	0.125	8%	0.075	C	C	.	.	H	α-helix	trans	-60.1	-48.3	176.1	-171.8	-176.1	66.1	-163.5	-4	111.6	L121 I122 I123 L128 D129 L193 A230 G231 F232	L121-R125 WeakPolarHBondContact O-CB 3.32Å; L121-R125 PolarHBondContact O-N 3.42Å; I122-R125 PolarHBondContact O-N 3.29Å; I123-R125 PolarHBondContact O-N 2.87Å; R125-L128 PolarHBondContact O-N 2.86Å; R125-D129 PolarHBondContact O-N 2.99Å; R125-L193 HydrophobicContact CB-CD2 3.97Å; R125-A230 PolarHBondContact NH1-O 2.56Å; R125-A230 PolarHBondContact NH2-O 3.46Å; R125-G231 PolarHBondContact NH1-O 3.39Å; R125-F232 HydrophobicContact CB-CZ 4.2Å
126	N	98.8	Very high	98.8	Very high	35 Å²	35	13.8 Å²	13.8	19%	0.187	8%	0.075	C	C	.	.	H	α-helix	trans	-69	-36.5	-177.4	-67	-7.9	0	0	0	111.7	Y34 I122 I123 D129 L130	Y34-N126 PolarHBondContact OH-ND2 3.35Å; I122-N126 WeakPolarHBondContact O-CB 3.42Å; I122-N126 PolarHBondContact O-N 2.89Å; I122-N126 PolarHBondContact O-ND2 2.99Å; I122-N126 PolarHBondContact O-OD1 3.19Å; I123-N126 PolarHBondContact O-N 3.41Å; N126-D129 PolarHBondContact O-N 2.95Å; N126-L130 WeakPolarHBondContact O-CG 3.24Å; N126-L130 PolarHBondContact O-N 3.47Å
127	A	98.9	Very high	98.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.7	-41.4	174.6	0	0	0	0	0	111.2	M26 V29 F30 I123 L124 D129 L130 L131 F345	M26-A127 HydrophobicContact CE-CB 4.33Å; M26-A127 HydrophobicContact SD-CB 3.78Å; V29-A127 HydrophobicContact CG1-CB 4.2Å; F30-A127 HydrophobicContact CE2-CB 3.89Å; F30-A127 HydrophobicContact CZ-CB 4.11Å; I123-A127 VanDerWaalsContact O-CB 3.26Å; I123-A127 WeakPolarHBondContact O-CB 3.34Å; I123-A127 PolarHBondContact O-N 3.35Å; L124-A127 PolarHBondContact O-N 3.35Å; A127-D129 PolarHBondContact O-N 3.33Å; A127-L130 PolarHBondContact O-N 3.37Å; A127-L131 WeakPolarHBondContact O-CG 3.11Å; A127-L131 PolarHBondContact O-N 3.29Å; A127-F345 HydrophobicContact CB-CB 4.31Å; A127-F345 HydrophobicContact CB-CD1 3.28Å; A127-F345 HydrophobicContact CB-CD2 4.33Å; A127-F345 HydrophobicContact CB-CE1 3.53Å; A127-F345 HydrophobicContact CB-CG 3.72Å; A127-F345 HydrophobicContact CB-CZ 4.16Å
128	L	98.9	Very high	98.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.3	-43.9	170.6	-72.1	164.6	0	0	0	111.7	L124 R125 L130 L131 L132 L186 V189 R190 F345	L124-L128 VanDerWaalsContact O-CG 3.32Å; L124-L128 WeakPolarHBondContact O-CG 3.48Å; L124-L128 PolarHBondContact O-N 3.45Å; R125-L128 PolarHBondContact O-N 2.86Å; L128-L130 PolarHBondContact O-N 2.92Å; L128-L131 PolarHBondContact O-N 3.01Å; L128-L131 VanDerWaalsContact O-N 3.12Å; L128-L132 VanDerWaalsContact O-CG 3.28Å; L128-L132 WeakPolarHBondContact O-CG 3.47Å; L128-L132 PolarHBondContact O-N 3.4Å; L128-L186 HydrophobicContact CD2-CB 4.42Å; L128-L186 HydrophobicContact CD2-CG 4Å; L128-V189 HydrophobicContact CD1-CG1 4.05Å; L128-R190 HydrophobicContact CB-CB 4.11Å; L128-R190 HydrophobicContact CB-CG 4.1Å; L128-R190 HydrophobicContact CD1-CB 3.96Å; L128-F345 HydrophobicContact CD2-CE1 3.95Å; L128-F345 HydrophobicContact CD2-CZ 4.15Å; L128-F345 HydrophobicContact CG-CE1 3.87Å; L128-F345 HydrophobicContact CG-CZ 3.97Å
129	D	98.8	Very high	98.9	Very high	55 Å²	55	13.8 Å²	13.8	29%	0.294	7%	0.07	S	C	.	.	H	α-helix	trans	-62.8	-25.5	177.2	-74.4	-19.5	0	0	0	112.8	R125 N126 A127 P133 R190	R125-D129 PolarHBondContact O-N 2.99Å; N126-D129 PolarHBondContact O-N 2.95Å; A127-D129 PolarHBondContact O-N 3.33Å; D129-P133 WeakPolarHBondContact O-CD 3.32Å; D129-P133 WeakPolarHBondContact O-CG 3.35Å; D129-R190 WeakPolarHBondContact OD1-CG 3.33Å; D129-R190 IonicContact OD1-CZ 2.79Å; D129-R190 IonicContact OD1-NE 3.01Å; D129-R190 PolarHBondContact OD1-NE 3.14Å; D129-R190 IonicContact OD1-NH2 3.54Å; D129-R190 PolarHBondContact OD1-NH2 3.32Å; D129-R190 IonicContact OD2-CZ 2.77Å; D129-R190 IonicContact OD2-NE 2.55Å; D129-R190 PolarHBondContact OD2-NE 3.39Å; D129-R190 IonicContact OD2-NH2 3.96Å; D129-R190 PolarHBondContact OD2-NH2 3.37Å
130	L	98.8	Very high	98.9	Very high	49 Å²	49	14.6 Å²	14.6	26%	0.257	8%	0.076	S	C	.	.	H	α-helix	trans	-79.6	-36.6	171.5	-69.4	179.3	0	0	0	113.2	E25 M26 V29 N126 A127 L128	E25-L130 HydrophobicContact CB-CD1 4.08Å; E25-L130 HydrophobicContact CB-CD2 4.34Å; M26-L130 HydrophobicContact CE-CB 3.68Å; M26-L130 HydrophobicContact CE-CD1 4.03Å; M26-L130 HydrophobicContact SD-CD1 4.2Å; V29-L130 HydrophobicContact CG2-CD1 3.77Å; N126-L130 WeakPolarHBondContact O-CG 3.24Å; N126-L130 PolarHBondContact O-N 3.47Å; A127-L130 PolarHBondContact O-N 3.37Å; L128-L130 PolarHBondContact O-N 2.92Å
131	L	98.9	Very high	98.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-73.5	-42	-180	-65.9	-175.5	0	0	0	112.7	M26 A127 L128 K134 L135 L186 L255 F345 A348 D349 L352	M26-L131 HydrophobicContact CE-CD2 3.65Å; M26-L131 HydrophobicContact CE-CG 3.93Å; A127-L131 WeakPolarHBondContact O-CG 3.11Å; A127-L131 PolarHBondContact O-N 3.29Å; L128-L131 PolarHBondContact O-N 3.01Å; L128-L131 VanDerWaalsContact O-N 3.12Å; L131-K134 WeakPolarHBondContact O-CB 3.49Å; L131-K134 PolarHBondContact O-N 3.04Å; L131-L135 PolarHBondContact O-N 3.09Å; L131-L186 HydrophobicContact CB-CD2 4.06Å; L131-L186 HydrophobicContact CD1-CD2 4.38Å; L131-L255 HydrophobicContact CD1-CD2 3.68Å; L131-F345 HydrophobicContact CD1-CD1 3.55Å; L131-F345 HydrophobicContact CD1-CE1 3.83Å; L131-F345 HydrophobicContact CG-CD1 4.19Å; L131-A348 HydrophobicContact CD1-CB 3.73Å; L131-A348 HydrophobicContact CD2-CB 4.01Å; L131-D349 HydrophobicContact CD2-CB 4.04Å; L131-L352 HydrophobicContact CB-CD1 4.16Å; L131-L352 HydrophobicContact CD2-CD1 4.04Å
132	L	98.9	Very high	98.9	Very high	5 Å²	5	14.9 Å²	14.9	3%	0.026	7%	0.074	C	C	.	.	H	α-helix	trans	-49.4	-53	-177.7	-77.4	169.6	0	0	0	114	L128 K134 L135 A136 L183 L186 K187 R190 Y472	L128-L132 VanDerWaalsContact O-CG 3.28Å; L128-L132 WeakPolarHBondContact O-CG 3.47Å; L128-L132 PolarHBondContact O-N 3.4Å; L132-K134 VanDerWaalsContact C-N 3.33Å; L132-K134 PolarHBondContact O-N 2.69Å; L132-L135 PolarHBondContact O-N 2.73Å; L132-A136 WeakPolarHBondContact O-CB 3.39Å; L132-A136 PolarHBondContact O-N 2.97Å; L132-L183 HydrophobicContact CD2-CD1 3.76Å; L132-L186 HydrophobicContact CD2-CB 3.7Å; L132-L186 HydrophobicContact CG-CB 4.48Å; L132-K187 HydrophobicContact CD1-CD 4.28Å; L132-K187 HydrophobicContact CD2-CB 4.23Å; L132-R190 HydrophobicContact CD1-CB 4.44Å; L132-R190 HydrophobicContact CD1-CG 4.31Å; L132-Y472 HydrophobicContact CB-CE1 3.98Å
133	P	98.8	Very high	98.9	Very high	27 Å²	27	14.6 Å²	14.6	18%	0.175	7%	0.073	C	C	.	.	H	α-helix	trans	-69.1	-28.2	179	27.7	-36.2	0	0	0	113.1	D129 R137 Y472 V475	D129-P133 WeakPolarHBondContact O-CD 3.32Å; D129-P133 WeakPolarHBondContact O-CG 3.35Å; P133-R137 WeakPolarHBondContact O-CG 3.46Å; P133-R137 PolarHBondContact O-N 3.49Å; P133-Y472 HydrophobicContact CB-CD1 4.24Å; P133-V475 HydrophobicContact CB-CG2 3.86Å
134	K	98.8	Very high	98.8	Very high	17 Å²	17	18.3 Å²	18.3	7%	0.074	9%	0.093	C	C	.	.	H	α-helix	trans	-66.4	-48.7	173.9	-70.5	175.7	174.7	-176.4	0	110.4	S23 L131 L132 A136 R137 V138 D349 L352 N353	S23-K134 PolarHBondContact OG-NZ 3.16Å; L131-K134 WeakPolarHBondContact O-CB 3.49Å; L131-K134 PolarHBondContact O-N 3.04Å; L132-K134 VanDerWaalsContact C-N 3.33Å; L132-K134 PolarHBondContact O-N 2.69Å; K134-A136 PolarHBondContact O-N 2.97Å; K134-R137 PolarHBondContact O-N 3.44Å; K134-V138 WeakPolarHBondContact O-CG2 3.4Å; K134-V138 PolarHBondContact O-N 3.41Å; K134-D349 IonicContact NZ-OD1 3.85Å; K134-D349 PolarHBondContact NZ-OD1 2.94Å; K134-D349 IonicContact NZ-OD2 2.66Å; K134-D349 PolarHBondContact NZ-OD2 3.36Å; K134-L352 HydrophobicContact CB-CB 3.91Å; K134-L352 HydrophobicContact CB-CD1 4.08Å; K134-N353 VanDerWaalsContact CD-OD1 3.32Å; K134-N353 WeakPolarHBondContact CD-OD1 3.42Å; K134-N353 WeakPolarHBondContact CE-OD1 3.34Å; K134-N353 PolarHBondContact NZ-ND2 3.45Å; K134-N353 PolarHBondContact NZ-OD1 3.45Å
135	L	98.9	Very high	98.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.5	-44.1	176.3	179.3	54.7	0	0	0	111.9	L131 L132 R137 V138 I139 L179 D182 L183 L186 L258 L352	L131-L135 PolarHBondContact O-N 3.09Å; L132-L135 PolarHBondContact O-N 2.73Å; L135-R137 VanDerWaalsContact C-N 3.3Å; L135-R137 PolarHBondContact O-N 2.85Å; L135-V138 WeakPolarHBondContact O-CB 3.2Å; L135-V138 PolarHBondContact O-N 3.03Å; L135-V138 VanDerWaalsContact O-N 3.17Å; L135-I139 HydrophobicContact CD1-CD1 4.12Å; L135-I139 HydrophobicContact CD1-CG1 4.36Å; L135-I139 HydrophobicContact CG-CD1 4.03Å; L135-I139 WeakPolarHBondContact O-CG1 3.43Å; L135-I139 PolarHBondContact O-N 2.9Å; L135-L179 HydrophobicContact CD1-CB 4.06Å; L135-L179 HydrophobicContact CD1-CD2 3.84Å; L135-L179 HydrophobicContact CD1-CG 4.41Å; L135-D182 HydrophobicContact CD2-CB 4.05Å; L135-L183 HydrophobicContact CB-CD1 4.37Å; L135-L183 HydrophobicContact CD2-CB 3.82Å; L135-L183 HydrophobicContact CD2-CD1 4.1Å; L135-L183 HydrophobicContact CG-CB 4.19Å; L135-L183 HydrophobicContact CG-CD1 4.17Å; L135-L186 HydrophobicContact CD2-CD2 4.26Å; L135-L258 HydrophobicContact CD1-CD1 4.19Å; L135-L352 HydrophobicContact CB-CD1 4.01Å; L135-L352 HydrophobicContact CB-CD2 4.12Å; L135-L352 HydrophobicContact CD1-CD2 3.86Å
136	A	98.9	Very high	98.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.4	-39.5	175.7	0	0	0	0	0	112.4	L132 K134 I139 S140 L469 Y472 M476	L132-A136 WeakPolarHBondContact O-CB 3.39Å; L132-A136 PolarHBondContact O-N 2.97Å; K134-A136 PolarHBondContact O-N 2.97Å; A136-I139 PolarHBondContact O-N 3.07Å; A136-S140 WeakPolarHBondContact O-CB 3.31Å; A136-S140 PolarHBondContact O-N 2.88Å; A136-L469 HydrophobicContact CB-CD2 4.07Å; A136-L469 WeakPolarHBondContact O-CD2 3.37Å; A136-Y472 HydrophobicContact CB-CD1 4.23Å; A136-Y472 HydrophobicContact CB-CD2 3.59Å; A136-Y472 HydrophobicContact CB-CE2 4.15Å; A136-Y472 HydrophobicContact CB-CG 3.63Å; A136-M476 HydrophobicContact CB-CE 3.9Å
137	R	98.9	Very high	98.8	Very high	18 Å²	18	22.3 Å²	22.3	7%	0.068	11%	0.11	C	C	.	.	H	α-helix	trans	-65.4	-43.6	173.8	-77.8	-169.9	-61.5	-88.1	0	112.4	P133 K134 L135 I139 S140 R141 Q356 V475 M476 V478	P133-R137 WeakPolarHBondContact O-CG 3.46Å; P133-R137 PolarHBondContact O-N 3.49Å; K134-R137 PolarHBondContact O-N 3.44Å; L135-R137 VanDerWaalsContact C-N 3.3Å; L135-R137 PolarHBondContact O-N 2.85Å; R137-I139 VanDerWaalsContact C-N 3.31Å; R137-I139 PolarHBondContact O-N 2.91Å; R137-S140 PolarHBondContact O-N 3.5Å; R137-R141 VanDerWaalsContact O-CG 3.29Å; R137-R141 WeakPolarHBondContact O-CG 3.39Å; R137-R141 PolarHBondContact O-N 3.27Å; R137-Q356 HydrophobicContact CB-CG 4.36Å; R137-V475 WeakPolarHBondContact CD-O 3.37Å; R137-V475 PolarHBondContact NH1-O 3.3Å; R137-M476 HydrophobicContact CG-SD 3.93Å; R137-V478 VanDerWaalsContact CD-O 3.31Å; R137-V478 WeakPolarHBondContact CD-O 3.46Å
138	V	98.9	Very high	98.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-54.6	-50.4	174.8	175.5	0	0	0	0	110.3	K134 L135 S140 R141 L142 L179 L352 L355 Q356	K134-V138 WeakPolarHBondContact O-CG2 3.4Å; K134-V138 PolarHBondContact O-N 3.41Å; L135-V138 WeakPolarHBondContact O-CB 3.2Å; L135-V138 PolarHBondContact O-N 3.03Å; L135-V138 VanDerWaalsContact O-N 3.17Å; V138-S140 VanDerWaalsContact C-N 3.35Å; V138-S140 PolarHBondContact O-N 3.39Å; V138-R141 PolarHBondContact O-N 3.31Å; V138-L142 HydrophobicContact CG1-CD1 4.01Å; V138-L142 WeakPolarHBondContact O-CG 3.48Å; V138-L142 PolarHBondContact O-N 2.91Å; V138-L179 HydrophobicContact CG1-CD1 3.68Å; V138-L352 HydrophobicContact CG2-CD2 4.44Å; V138-L352 WeakPolarHBondContact CG2-O 3.48Å; V138-L355 HydrophobicContact CG1-CD2 3.7Å; V138-L355 HydrophobicContact CG1-CG 3.74Å; V138-L355 HydrophobicContact CG2-CB 4.41Å; V138-L355 HydrophobicContact CG2-CG 4.47Å; V138-Q356 HydrophobicContact CG2-CB 3.78Å
139	I	98.9	Very high	98.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59	-46.3	178.5	-68.1	163.3	0	0	0	110.6	L135 A136 R137 R141 L142 A143 I176 L179 L183 V465 L469	L135-I139 HydrophobicContact CD1-CD1 4.12Å; L135-I139 HydrophobicContact CD1-CG1 4.36Å; L135-I139 HydrophobicContact CG-CD1 4.03Å; L135-I139 WeakPolarHBondContact O-CG1 3.43Å; L135-I139 PolarHBondContact O-N 2.9Å; A136-I139 PolarHBondContact O-N 3.07Å; R137-I139 VanDerWaalsContact C-N 3.31Å; R137-I139 PolarHBondContact O-N 2.91Å; I139-R141 PolarHBondContact O-N 2.88Å; I139-L142 PolarHBondContact O-N 3.46Å; I139-A143 VanDerWaalsContact O-CB 3.29Å; I139-A143 WeakPolarHBondContact O-CB 3.5Å; I139-A143 PolarHBondContact O-N 3.28Å; I139-I176 HydrophobicContact CG2-CG2 4.06Å; I139-L179 HydrophobicContact CD1-CB 4.03Å; I139-L179 HydrophobicContact CG1-CB 3.65Å; I139-L179 HydrophobicContact CG1-CD1 4.36Å; I139-L183 HydrophobicContact CD1-CB 3.95Å; I139-L183 HydrophobicContact CD1-CD2 3.86Å; I139-L183 HydrophobicContact CD1-CG 4.45Å; I139-V465 HydrophobicContact CG2-CG1 3.63Å; I139-L469 HydrophobicContact CB-CD2 4.01Å; I139-L469 HydrophobicContact CG2-CD1 4.17Å; I139-L469 HydrophobicContact CG2-CD2 3.76Å; I139-L469 HydrophobicContact CG2-CG 4.24Å
140	S	98.8	Very high	98.8	Very high	17 Å²	17	29.5 Å²	29.5	12%	0.119	14%	0.141	C	C	.	.	H	α-helix	trans	-59.7	-44.6	178.1	-179	0	0	0	0	112.6	A136 R137 V138 A143 D144 M476	A136-S140 WeakPolarHBondContact O-CB 3.31Å; A136-S140 PolarHBondContact O-N 2.88Å; R137-S140 PolarHBondContact O-N 3.5Å; V138-S140 VanDerWaalsContact C-N 3.35Å; V138-S140 PolarHBondContact O-N 3.39Å; S140-A143 WeakPolarHBondContact O-CB 3.49Å; S140-A143 PolarHBondContact O-N 3.42Å; S140-D144 VanDerWaalsContact O-CG 3.32Å; S140-D144 PolarHBondContact O-N 3.11Å; S140-M476 VanDerWaalsContact CB-SD 3.53Å
141	R	98.7	Very high	98.8	Very high	39 Å²	39	31.5 Å²	31.5	15%	0.147	16%	0.159	C	C	.	.	H	α-helix	trans	-66.5	-40.8	179.8	-63.5	-62.8	-174.4	-86.1	-11.2	112	R137 V138 I139 A143 D144 F145 E360 M476 V478	R137-R141 VanDerWaalsContact O-CG 3.29Å; R137-R141 WeakPolarHBondContact O-CG 3.39Å; R137-R141 PolarHBondContact O-N 3.27Å; V138-R141 PolarHBondContact O-N 3.31Å; I139-R141 PolarHBondContact O-N 2.88Å; R141-A143 VanDerWaalsContact C-N 3.33Å; R141-D144 PolarHBondContact O-N 2.78Å; R141-F145 WeakPolarHBondContact O-CB 3.33Å; R141-F145 PolarHBondContact O-N 3.23Å; R141-F145 VanDerWaalsContact O-N 3.07Å; R141-E360 HydrophobicContact CG-CG 3.71Å; R141-E360 IonicContact CZ-OE1 2.88Å; R141-E360 IonicContact NE-OE1 3.49Å; R141-E360 PolarHBondContact NE-OE1 2.87Å; R141-E360 IonicContact NH2-OE1 3.63Å; R141-E360 PolarHBondContact NH2-OE1 3.33Å; R141-M476 PolarHBondContact NH1-O 3.46Å; R141-M476 PolarHBondContact NH2-O 2.97Å; R141-V478 PolarHBondContact NH2-O 3.25Å
142	L	98.9	Very high	98.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.8	-35.6	174	-70.2	177.3	0	0	0	111.7	V138 I139 F145 A146 C172 W175 I176 L179 S359 L362	V138-L142 HydrophobicContact CG1-CD1 4.01Å; V138-L142 WeakPolarHBondContact O-CG 3.48Å; V138-L142 PolarHBondContact O-N 2.91Å; I139-L142 PolarHBondContact O-N 3.46Å; L142-F145 PolarHBondContact O-N 3.07Å; L142-A146 VanDerWaalsContact O-CB 3.24Å; L142-A146 WeakPolarHBondContact O-CB 3.37Å; L142-A146 PolarHBondContact O-N 2.93Å; L142-C172 PolarHBondContact O-SG 3.44Å; L142-W175 HydrophobicContact CD2-CE3 4.32Å; L142-I176 HydrophobicContact CB-CD1 3.99Å; L142-I176 HydrophobicContact CB-CG1 3.62Å; L142-I176 HydrophobicContact CD1-CG1 4.46Å; L142-L179 HydrophobicContact CD1-CD1 3.72Å; L142-S359 VanDerWaalsContact CD2-OG 3.3Å; L142-S359 WeakPolarHBondContact CD2-OG 3.26Å; L142-S359 WeakPolarHBondContact CG-OG 3.48Å; L142-L362 HydrophobicContact CD2-CD1 4.33Å
143	A	98.9	Very high	98.8	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-65.6	-43.3	175.3	0	0	0	0	0	112.1	I139 S140 R141 F145 A146 K147 I176 L461 V465 Y466	I139-A143 VanDerWaalsContact O-CB 3.29Å; I139-A143 WeakPolarHBondContact O-CB 3.5Å; I139-A143 PolarHBondContact O-N 3.28Å; S140-A143 WeakPolarHBondContact O-CB 3.49Å; S140-A143 PolarHBondContact O-N 3.42Å; R141-A143 VanDerWaalsContact C-N 3.33Å; A143-F145 VanDerWaalsContact C-N 3.34Å; A143-F145 PolarHBondContact O-N 3.31Å; A143-A146 PolarHBondContact O-N 3.33Å; A143-K147 WeakPolarHBondContact O-CB 3.49Å; A143-K147 PolarHBondContact O-N 3.46Å; A143-I176 HydrophobicContact CB-CD1 4.34Å; A143-L461 HydrophobicContact CB-CD2 3.81Å; A143-V465 HydrophobicContact CB-CG1 4.25Å; A143-Y466 HydrophobicContact CB-CE1 4.44Å
144	D	98.6	Very high	98.8	Very high	88 Å²	88	32.8 Å²	32.8	47%	0.471	17%	0.166	S	C	.	.	H	α-helix	trans	-58.2	-48.1	173.3	-68.2	-27.3	0	0	0	110.5	S140 R141 K147 E148	S140-D144 VanDerWaalsContact O-CG 3.32Å; S140-D144 PolarHBondContact O-N 3.11Å; R141-D144 PolarHBondContact O-N 2.78Å; D144-K147 PolarHBondContact O-N 3.38Å; D144-E148 PolarHBondContact O-N 3.19Å
145	F	98.8	Very high	98.8	Very high	15 Å²	15	32.1 Å²	32.1	7%	0.066	16%	0.163	C	C	.	.	H	α-helix	trans	-61.4	-43.6	175.6	-179.2	-92	0	0	0	112.5	R141 L142 A143 K147 E148 R149 V168 C172 M278 L362 V364	R141-F145 WeakPolarHBondContact O-CB 3.33Å; R141-F145 PolarHBondContact O-N 3.23Å; R141-F145 VanDerWaalsContact O-N 3.07Å; L142-F145 PolarHBondContact O-N 3.07Å; A143-F145 VanDerWaalsContact C-N 3.34Å; A143-F145 PolarHBondContact O-N 3.31Å; F145-K147 VanDerWaalsContact C-N 3.33Å; F145-K147 PolarHBondContact O-N 2.98Å; F145-E148 PolarHBondContact O-N 3.44Å; F145-R149 HydrophobicContact CD1-CG 4.48Å; F145-R149 HydrophobicContact CD2-CG 4.4Å; F145-R149 HydrophobicContact CE1-CG 4.21Å; F145-R149 HydrophobicContact CE2-CG 4.13Å; F145-R149 HydrophobicContact CZ-CG 4.03Å; F145-R149 WeakPolarHBondContact O-CB 3.28Å; F145-R149 WeakPolarHBondContact O-CG 3.18Å; F145-R149 PolarHBondContact O-N 3.15Å; F145-V168 HydrophobicContact CE1-CG1 3.66Å; F145-V168 HydrophobicContact CZ-CG1 3.8Å; F145-C172 HydrophobicContact CD1-CB 4.12Å; F145-C172 HydrophobicContact CE1-CB 4.44Å; F145-M278 HydrophobicContact CE1-CE 3.98Å; F145-M278 HydrophobicContact CZ-CE 3.65Å; F145-M278 HydrophobicContact CZ-SD 4.27Å; F145-L362 HydrophobicContact CD1-CD1 4.48Å; F145-L362 HydrophobicContact CD2-CB 4.23Å; F145-L362 HydrophobicContact CD2-CD1 4.38Å; F145-L362 HydrophobicContact CE1-CD1 4.39Å; F145-L362 HydrophobicContact CE2-CB 3.86Å; F145-L362 HydrophobicContact CE2-CD1 4.27Å; F145-L362 HydrophobicContact CG-CD1 4.47Å; F145-L362 HydrophobicContact CZ-CB 4.42Å; F145-L362 HydrophobicContact CZ-CD1 4.27Å; F145-V364 HydrophobicContact CE2-CG2 3.54Å; F145-V364 HydrophobicContact CZ-CG2 3.44Å; F145-V364 VanDerWaalsContact CZ-CG2 3.44Å
146	A	98.8	Very high	98.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.1	-41.9	179.7	0	0	0	0	0	111.3	L142 A143 R149 A150 G169 C172 I176 V457 L461	L142-A146 VanDerWaalsContact O-CB 3.24Å; L142-A146 WeakPolarHBondContact O-CB 3.37Å; L142-A146 PolarHBondContact O-N 2.93Å; A143-A146 PolarHBondContact O-N 3.33Å; A146-R149 CarbonylContact O-C 3.45Å; A146-R149 PolarHBondContact O-N 3.35Å; A146-A150 VanDerWaalsContact O-CA 3.28Å; A146-A150 WeakPolarHBondContact O-CA 3.33Å; A146-A150 WeakPolarHBondContact O-CB 3.47Å; A146-A150 PolarHBondContact O-N 3.26Å; A146-G169 WeakPolarHBondContact O-CA 3.26Å; A146-C172 HydrophobicContact CB-CB 3.9Å; A146-I176 HydrophobicContact CB-CD1 3.83Å; A146-V457 HydrophobicContact CB-CG1 4.43Å; A146-L461 HydrophobicContact CB-CD1 4.48Å
147	K	98.7	Very high	98.8	Very high	137 Å²	137	35.2 Å²	35.2	60%	0.596	18%	0.178	S	C	*	.	H	α-helix	trans	-64	-47.9	175.9	-173.8	179.3	-178.5	177.3	0	111.6	A143 D144 F145 R149 A150 L461	A143-K147 WeakPolarHBondContact O-CB 3.49Å; A143-K147 PolarHBondContact O-N 3.46Å; D144-K147 PolarHBondContact O-N 3.38Å; F145-K147 VanDerWaalsContact C-N 3.33Å; F145-K147 PolarHBondContact O-N 2.98Å; K147-R149 VanDerWaalsContact C-N 3.25Å; K147-R149 PolarHBondContact O-N 2.92Å; K147-A150 WeakPolarHBondContact O-CB 3.12Å; K147-A150 PolarHBondContact O-N 2.84Å; K147-L461 HydrophobicContact CB-CD1 3.95Å
148	E	98.7	Very high	98.7	Very high	124 Å²	124	38.5 Å²	38.5	58%	0.579	20%	0.2	S	C	*	.	H	α-helix	trans	-60.6	-36.5	178.3	-168.5	-165.5	164.4	0	0	111.9	D144 F145	D144-E148 PolarHBondContact O-N 3.19Å; F145-E148 PolarHBondContact O-N 3.44Å
149	R	98.6	Very high	98.7	Very high	69 Å²	69	47.1 Å²	47.1	26%	0.26	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	15.8	-176.2	-52	-57.2	179.8	-160.2	-9.3	113.7	F145 A146 K147 S151 L152 V168 G169	F145-R149 HydrophobicContact CD1-CG 4.48Å; F145-R149 HydrophobicContact CD2-CG 4.4Å; F145-R149 HydrophobicContact CE1-CG 4.21Å; F145-R149 HydrophobicContact CE2-CG 4.13Å; F145-R149 HydrophobicContact CZ-CG 4.03Å; F145-R149 WeakPolarHBondContact O-CB 3.28Å; F145-R149 WeakPolarHBondContact O-CG 3.18Å; F145-R149 PolarHBondContact O-N 3.15Å; A146-R149 CarbonylContact O-C 3.45Å; A146-R149 PolarHBondContact O-N 3.35Å; K147-R149 VanDerWaalsContact C-N 3.25Å; K147-R149 PolarHBondContact O-N 2.92Å; R149-S151 PolarHBondContact O-N 3.31Å; R149-S151 VanDerWaalsContact O-N 3.15Å; R149-L152 HydrophobicContact CB-CB 4.45Å; R149-L152 PolarHBondContact O-N 3.1Å; R149-V168 HydrophobicContact CB-CB 3.92Å; R149-V168 HydrophobicContact CB-CG1 3.8Å; R149-V168 HydrophobicContact CG-CG1 4.11Å; R149-G169 WeakPolarHBondContact O-CA 3.47Å; R149-G169 PolarHBondContact O-N 2.91Å
150	A	98.7	Very high	98.6	Very high	14 Å²	14	51.6 Å²	51.6	12%	0.116	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-34.1	-173.2	0	0	0	0	0	113.1	A146 K147 T167 S454 V457	A146-A150 VanDerWaalsContact O-CA 3.28Å; A146-A150 WeakPolarHBondContact O-CA 3.33Å; A146-A150 WeakPolarHBondContact O-CB 3.47Å; A146-A150 PolarHBondContact O-N 3.26Å; K147-A150 WeakPolarHBondContact O-CB 3.12Å; K147-A150 PolarHBondContact O-N 2.84Å; A150-T167 WeakPolarHBondContact O-CB 3.28Å; A150-T167 VanDerWaalsContact O-CG2 3.31Å; A150-T167 WeakPolarHBondContact O-CG2 3.42Å; A150-T167 PolarHBondContact O-OG1 3.29Å; A150-S454 WeakPolarHBondContact O-CB 3.31Å; A150-V457 HydrophobicContact CB-CB 4.14Å; A150-V457 HydrophobicContact CB-CG1 3.84Å; A150-V457 HydrophobicContact CB-CG2 4.43Å
151	S	98.6	Very high	98.6	Very high	91 Å²	91	56.8 Å²	56.8	64%	0.636	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	11.2	-176.8	-56	0	0	0	0	113.9	R149 P153	R149-S151 PolarHBondContact O-N 3.31Å; R149-S151 VanDerWaalsContact O-N 3.15Å; S151-P153 WeakPolarHBondContact O-CD 3.42Å
152	L	98.7	Very high	98.6	Very high	34 Å²	34	57.3 Å²	57.3	18%	0.178	29%	0.29	C	S	.	.			trans	-84.7	106.8	177.2	175.9	59.9	0	0	0	109.6	R149 T167 V168 V364 P366 I369	R149-L152 HydrophobicContact CB-CB 4.45Å; R149-L152 PolarHBondContact O-N 3.1Å; L152-T167 CarbonylContact O-C 3.55Å; L152-T167 WeakPolarHBondContact O-CA 3.25Å; L152-T167 VanDerWaalsContact O-CB 3.28Å; L152-T167 WeakPolarHBondContact O-CB 3.05Å; L152-V168 HydrophobicContact CB-CB 4.41Å; L152-V168 HydrophobicContact CB-CG2 4.42Å; L152-V168 HydrophobicContact CD2-CB 4.19Å; L152-V168 HydrophobicContact CD2-CG2 3.77Å; L152-V168 HydrophobicContact CG-CB 4.42Å; L152-V168 HydrophobicContact CG-CG2 3.94Å; L152-V168 PolarHBondContact O-N 2.8Å; L152-V364 HydrophobicContact CD2-CG1 3.84Å; L152-P366 HydrophobicContact CD1-CB 4.41Å; L152-I369 HydrophobicContact CD2-CD1 4.37Å
153	P	98.7	Very high	98.5	Very high	25 Å²	25	58.3 Å²	58.3	16%	0.162	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	143.4	-179.3	-20.1	35.3	0	0	0	111	S151 L165 T166 I369 I373 P446 T450	S151-P153 WeakPolarHBondContact O-CD 3.42Å; P153-L165 HydrophobicContact CB-CD1 4.46Å; P153-T166 WeakPolarHBondContact CA-O 3.42Å; P153-I369 WeakPolarHBondContact O-CG2 3.04Å; P153-I373 HydrophobicContact CB-CD1 3.98Å; P153-P446 HydrophobicContact CB-CB 4.04Å; P153-P446 HydrophobicContact CG-CB 4.19Å; P153-T450 HydrophobicContact CB-CG2 3.77Å; P153-T450 HydrophobicContact CG-CG2 4.01Å
154	T	98.9	Very high	98.4	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	151.1	172.8	-179.6	0	0	0	0	109.1	G156 T166 V168 R171 E277	T154-G156 PolarHBondContact O-N 2.97Å; T154-T166 HydrophobicContact CG2-CG2 3.59Å; T154-T166 PolarHBondContact N-O 2.99Å; T154-T166 PolarHBondContact O-N 2.82Å; T154-T166 VanDerWaalsContact O-O 3.1Å; T154-V168 HydrophobicContact CG2-CG2 3.92Å; T154-R171 PolarHBondContact OG1-NH1 2.83Å; T154-R171 VanDerWaalsContact OG1-NH1 3.14Å; T154-E277 PolarHBondContact OG1-OE2 3.26Å
155	L	98.8	Very high	98.4	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	127.8	177.3	-174.2	63.1	0	0	0	110	F157 P162 L165 R171 R372 E376 M380	L155-F157 HydrophobicContact CB-CE2 4.42Å; L155-F157 HydrophobicContact CB-CZ 4.23Å; L155-F157 HydrophobicContact CD2-CE1 3.75Å; L155-F157 HydrophobicContact CD2-CZ 3.76Å; L155-F157 HydrophobicContact CG-CE1 4.21Å; L155-F157 HydrophobicContact CG-CZ 4.11Å; L155-F157 WeakPolarHBondContact O-CE2 3.45Å; L155-P162 HydrophobicContact CD1-CB 4.12Å; L155-P162 HydrophobicContact CD2-CB 3.95Å; L155-P162 HydrophobicContact CD2-CG 4.13Å; L155-P162 HydrophobicContact CG-CB 4.41Å; L155-L165 HydrophobicContact CD1-CD2 3.93Å; L155-R171 PolarHBondContact O-NH2 3.21Å; L155-R372 HydrophobicContact CD2-CG 3.81Å; L155-E376 HydrophobicContact CD1-CB 3.94Å; L155-E376 HydrophobicContact CD1-CG 4.34Å; L155-E376 HydrophobicContact CD2-CB 4.34Å; L155-E376 HydrophobicContact CD2-CG 3.81Å; L155-M380 HydrophobicContact CD1-CE 3.59Å; L155-M380 HydrophobicContact CD1-SD 4.39Å
156	G	98.7	Very high	98.4	Very high	6 Å²	6	61 Å²	61	6%	0.062	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	154.9	172.2	0	0	0	0	0	110.9	T154 A163 Q164	T154-G156 PolarHBondContact O-N 2.97Å; G156-A163 PolarHBondContact N-O 3.39Å; G156-A163 PolarHBondContact O-N 3.47Å; G156-Q164 WeakPolarHBondContact CA-O 3.3Å
157	F	98.7	Very high	98.4	Very high	60 Å²	60	61 Å²	61	26%	0.263	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	125.3	179.4	-68.1	-71.2	0	0	0	111.5	L155 F160 Q161 L275	L155-F157 HydrophobicContact CB-CE2 4.42Å; L155-F157 HydrophobicContact CB-CZ 4.23Å; L155-F157 HydrophobicContact CD2-CE1 3.75Å; L155-F157 HydrophobicContact CD2-CZ 3.76Å; L155-F157 HydrophobicContact CG-CE1 4.21Å; L155-F157 HydrophobicContact CG-CZ 4.11Å; L155-F157 WeakPolarHBondContact O-CE2 3.45Å; F157-F160 HydrophobicContact CD1-CD2 4.05Å; F157-F160 HydrophobicContact CD1-CE2 4.45Å; F157-F160 HydrophobicContact CE1-CD2 4.47Å; F157-F160 HydrophobicContact CE1-CE2 4.47Å; F157-F160 HydrophobicContact CG-CD2 4.19Å; F157-Q161 WeakPolarHBondContact CA-O 3.48Å; F157-L275 HydrophobicContact CE2-CD1 3.82Å; F157-L275 HydrophobicContact CZ-CD1 3.76Å
158	T	98	Very high	98.4	Very high	87 Å²	87	54.8 Å²	54.8	53%	0.534	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136.4	163.7	60	0	0	0	0	107.2	F160 Q161 A163	T158-F160 PolarHBondContact O-N 3.18Å; T158-Q161 PolarHBondContact N-O 3.46Å; T158-Q161 PolarHBondContact O-N 3.31Å; T158-A163 HydrophobicContact CG2-CB 4.29Å
159	H	97.7	Very high	98.4	Very high	180 Å²	180	48.9 Å²	48.9	83%	0.833	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	21.3	-168.2	-46.6	-82.3	0	0	0	114.3	Q161	H159-Q161 HydrophobicContact CB-CG 4.45Å; H159-Q161 PolarHBondContact O-N 3.45Å; H159-Q161 VanDerWaalsContact O-N 3.17Å
160	F	98.2	Very high	98.4	Very high	94 Å²	94	48 Å²	48	41%	0.412	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	29	-168.1	-162.5	-133.9	0	0	0	113.7	F157 T158 L271 L275	F157-F160 HydrophobicContact CD1-CD2 4.05Å; F157-F160 HydrophobicContact CD1-CE2 4.45Å; F157-F160 HydrophobicContact CE1-CD2 4.47Å; F157-F160 HydrophobicContact CE1-CE2 4.47Å; F157-F160 HydrophobicContact CG-CD2 4.19Å; T158-F160 PolarHBondContact O-N 3.18Å; F160-L271 HydrophobicContact CE1-CD2 4.4Å; F160-L271 HydrophobicContact CE2-CB 4.37Å; F160-L271 HydrophobicContact CE2-CD1 4.44Å; F160-L271 HydrophobicContact CZ-CB 4.41Å; F160-L271 HydrophobicContact CZ-CD2 4.26Å; F160-L275 HydrophobicContact CE2-CD1 3.97Å; F160-L275 HydrophobicContact CZ-CD1 4.2Å; F160-L275 HydrophobicContact CZ-CD2 4.26Å; F160-L275 HydrophobicContact CZ-CG 4.31Å
161	Q	98	Very high	98.4	Very high	127 Å²	127	48.6 Å²	48.6	59%	0.593	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	151.6	169	-67.1	-64.6	-70.7	0	0	109.8	F157 T158 H159 A163	F157-Q161 WeakPolarHBondContact CA-O 3.48Å; T158-Q161 PolarHBondContact N-O 3.46Å; T158-Q161 PolarHBondContact O-N 3.31Å; H159-Q161 HydrophobicContact CB-CG 4.45Å; H159-Q161 PolarHBondContact O-N 3.45Å; H159-Q161 VanDerWaalsContact O-N 3.17Å; Q161-A163 PolarHBondContact O-N 3.48Å
162	P	98.1	Very high	98.5	Very high	49 Å²	49	44.3 Å²	44.3	32%	0.318	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.8	127.8	173.6	-27.5	35.5	0	0	0	112.3	L155 E376	L155-P162 HydrophobicContact CD1-CB 4.12Å; L155-P162 HydrophobicContact CD2-CB 3.95Å; L155-P162 HydrophobicContact CD2-CG 4.13Å; L155-P162 HydrophobicContact CG-CB 4.41Å; P162-E376 HydrophobicContact CB-CB 4.08Å; P162-E376 HydrophobicContact CB-CG 3.88Å; P162-E376 VanDerWaalsContact CG-CD 3.43Å; P162-E376 HydrophobicContact CG-CG 3.8Å; P162-E376 WeakPolarHBondContact CG-OE2 3.34Å
163	A	97.6	Very high	98.5	Very high	21 Å²	21	43 Å²	43	17%	0.174	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	174.8	176.8	0	0	0	0	0	110.4	G156 T158 Q161 L165	G156-A163 PolarHBondContact N-O 3.39Å; G156-A163 PolarHBondContact O-N 3.47Å; T158-A163 HydrophobicContact CG2-CB 4.29Å; Q161-A163 PolarHBondContact O-N 3.48Å; A163-L165 PolarHBondContact O-N 3.18Å
164	Q	97	Very high	98.5	Very high	122 Å²	122	45.8 Å²	45.8	57%	0.57	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-46.9	138.9	-177.8	-73.7	-70.1	49.9	0	0	112.6	G156	G156-Q164 WeakPolarHBondContact CA-O 3.3Å
165	L	98.5	Very high	98.5	Very high	11 Å²	11	45.8 Å²	45.8	6%	0.058	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	145	-173.9	-58.1	-165.3	0	0	0	111.6	P153 L155 A163 I373 L377 M380 P446 F449 T450	P153-L165 HydrophobicContact CB-CD1 4.46Å; L155-L165 HydrophobicContact CD1-CD2 3.93Å; A163-L165 PolarHBondContact O-N 3.18Å; L165-I373 HydrophobicContact CD1-CD1 4.33Å; L165-I373 HydrophobicContact CD1-CG2 3.9Å; L165-I373 HydrophobicContact CD2-CG1 4.13Å; L165-I373 HydrophobicContact CD2-CG2 4.27Å; L165-L377 HydrophobicContact CD1-CD1 3.94Å; L165-L377 HydrophobicContact CD2-CD1 4.45Å; L165-L377 HydrophobicContact CG-CD1 4.09Å; L165-M380 HydrophobicContact CD2-CE 3.73Å; L165-M380 HydrophobicContact CG-CE 4.46Å; L165-P446 HydrophobicContact CD1-CB 3.81Å; L165-F449 HydrophobicContact CB-CB 4.09Å; L165-F449 HydrophobicContact CD1-CB 3.81Å; L165-F449 HydrophobicContact CG-CB 3.86Å; L165-T450 HydrophobicContact CB-CG2 4.27Å
166	T	98.8	Very high	98.5	Very high	29 Å²	29	45.7 Å²	45.7	18%	0.178	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	-169.9	167	-165.4	0	0	0	0	108.6	P153 T154 K170	P153-T166 WeakPolarHBondContact CA-O 3.42Å; T154-T166 HydrophobicContact CG2-CG2 3.59Å; T154-T166 PolarHBondContact N-O 2.99Å; T154-T166 PolarHBondContact O-N 2.82Å; T154-T166 VanDerWaalsContact O-O 3.1Å; T166-K170 WeakPolarHBondContact OG1-CG 3.47Å
167	T	98.9	Very high	98.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	153.5	168	65.4	0	0	0	0	110.6	A150 L152 G169 K170 R171 T450 A453	A150-T167 WeakPolarHBondContact O-CB 3.28Å; A150-T167 VanDerWaalsContact O-CG2 3.31Å; A150-T167 WeakPolarHBondContact O-CG2 3.42Å; A150-T167 PolarHBondContact O-OG1 3.29Å; L152-T167 CarbonylContact O-C 3.55Å; L152-T167 WeakPolarHBondContact O-CA 3.25Å; L152-T167 VanDerWaalsContact O-CB 3.28Å; L152-T167 WeakPolarHBondContact O-CB 3.05Å; T167-G169 PolarHBondContact O-N 2.67Å; T167-K170 PolarHBondContact O-N 3.16Å; T167-K170 VanDerWaalsContact OG1-CB 3.26Å; T167-K170 WeakPolarHBondContact OG1-CB 3.49Å; T167-K170 PolarHBondContact OG1-N 3.06Å; T167-K170 VanDerWaalsContact OG1-N 3.11Å; T167-R171 PolarHBondContact O-N 2.94Å; T167-T450 HydrophobicContact CG2-CG2 3.84Å; T167-A453 HydrophobicContact CG2-CB 3.7Å
168	V	98.8	Very high	98.5	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.03	25%	0.248	C	C	.	.	H	α-helix	trans	-56.5	-41.6	177.1	171.8	0	0	0	0	110.2	F145 R149 L152 T154 R171 C172 M278 I369	F145-V168 HydrophobicContact CE1-CG1 3.66Å; F145-V168 HydrophobicContact CZ-CG1 3.8Å; R149-V168 HydrophobicContact CB-CB 3.92Å; R149-V168 HydrophobicContact CB-CG1 3.8Å; R149-V168 HydrophobicContact CG-CG1 4.11Å; L152-V168 HydrophobicContact CB-CB 4.41Å; L152-V168 HydrophobicContact CB-CG2 4.42Å; L152-V168 HydrophobicContact CD2-CB 4.19Å; L152-V168 HydrophobicContact CD2-CG2 3.77Å; L152-V168 HydrophobicContact CG-CB 4.42Å; L152-V168 HydrophobicContact CG-CG2 3.94Å; L152-V168 PolarHBondContact O-N 2.8Å; T154-V168 HydrophobicContact CG2-CG2 3.92Å; V168-R171 PolarHBondContact O-N 3Å; V168-C172 PolarHBondContact O-N 3.29Å; V168-M278 HydrophobicContact CG1-CE 3.9Å; V168-I369 HydrophobicContact CG2-CD1 4.04Å
169	G	98.8	Very high	98.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-41.3	174.6	0	0	0	0	0	113.4	A146 R149 T167 R171 C172 C173	A146-G169 WeakPolarHBondContact O-CA 3.26Å; R149-G169 WeakPolarHBondContact O-CA 3.47Å; R149-G169 PolarHBondContact O-N 2.91Å; T167-G169 PolarHBondContact O-N 2.67Å; G169-R171 PolarHBondContact O-N 3.18Å; G169-C172 WeakPolarHBondContact O-CB 3.18Å; G169-C172 PolarHBondContact O-N 2.96Å; G169-C173 PolarHBondContact O-N 3.02Å; G169-C173 PolarHBondContact O-SG 3.08Å; G169-C173 VanDerWaalsContact O-SG 3.38Å
170	K	98.9	Very high	98.6	Very high	51 Å²	51	37 Å²	37	22%	0.222	19%	0.185	C	C	.	.	H	α-helix	trans	-64.9	-38.2	176.3	175.1	59.5	-163.8	-66.6	0	112.4	T166 T167 C172 C173 L174 A453 Q456 V457	T166-K170 WeakPolarHBondContact OG1-CG 3.47Å; T167-K170 PolarHBondContact O-N 3.16Å; T167-K170 VanDerWaalsContact OG1-CB 3.26Å; T167-K170 WeakPolarHBondContact OG1-CB 3.49Å; T167-K170 PolarHBondContact OG1-N 3.06Å; T167-K170 VanDerWaalsContact OG1-N 3.11Å; K170-C172 VanDerWaalsContact C-N 3.34Å; K170-C173 WeakPolarHBondContact O-CB 3.35Å; K170-C173 PolarHBondContact O-N 3.38Å; K170-L174 VanDerWaalsContact O-CD1 3.27Å; K170-L174 WeakPolarHBondContact O-CD1 3.33Å; K170-A453 HydrophobicContact CB-CB 3.98Å; K170-A453 HydrophobicContact CG-CB 4.25Å; K170-Q456 HydrophobicContact CD-CB 4.35Å; K170-V457 HydrophobicContact CB-CG2 3.95Å
171	R	98.9	Very high	98.6	Very high	27 Å²	27	37.2 Å²	37.2	10%	0.102	19%	0.189	C	C	.	.	H	α-helix	trans	-60.7	-44.2	171.6	178.6	177.9	-69.1	139.1	3.7	111	T154 L155 T167 V168 G169 C173 L174 W175 E277	T154-R171 PolarHBondContact OG1-NH1 2.83Å; T154-R171 VanDerWaalsContact OG1-NH1 3.14Å; L155-R171 PolarHBondContact O-NH2 3.21Å; T167-R171 PolarHBondContact O-N 2.94Å; V168-R171 PolarHBondContact O-N 3Å; G169-R171 PolarHBondContact O-N 3.18Å; R171-C173 VanDerWaalsContact C-N 3.26Å; R171-C173 PolarHBondContact O-N 3.43Å; R171-L174 WeakPolarHBondContact O-CB 3.37Å; R171-L174 PolarHBondContact O-N 3.36Å; R171-L174 VanDerWaalsContact O-N 3.12Å; R171-W175 HydrophobicContact CG-CZ2 4.01Å; R171-E277 IonicContact NH1-OE2 3.63Å
172	C	98.9	Very high	98.7	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.007	16%	0.161	C	C	.	.	H	α-helix	trans	-59.5	-36.3	175.4	-167.7	0	0	0	0	112.1	L142 F145 A146 V168 G169 K170 L174 W175 I176	L142-C172 PolarHBondContact O-SG 3.44Å; F145-C172 HydrophobicContact CD1-CB 4.12Å; F145-C172 HydrophobicContact CE1-CB 4.44Å; A146-C172 HydrophobicContact CB-CB 3.9Å; V168-C172 PolarHBondContact O-N 3.29Å; G169-C172 WeakPolarHBondContact O-CB 3.18Å; G169-C172 PolarHBondContact O-N 2.96Å; K170-C172 VanDerWaalsContact C-N 3.34Å; C172-L174 VanDerWaalsContact C-N 3.26Å; C172-L174 PolarHBondContact O-N 3.38Å; C172-W175 HydrophobicContact CB-CE3 4.3Å; C172-W175 VanDerWaalsContact O-CB 3.29Å; C172-W175 WeakPolarHBondContact O-CB 3.38Å; C172-W175 PolarHBondContact O-N 3.12Å; C172-I176 WeakPolarHBondContact O-CG1 3.41Å; C172-I176 PolarHBondContact O-N 2.95Å
173	C	98.9	Very high	98.7	Very high	7 Å²	7	29.1 Å²	29.1	5%	0.047	15%	0.147	C	C	.	.	H	α-helix	trans	-61.7	-28.7	175.8	-67.3	0	0	0	0	114.1	G169 K170 R171 W175 I176 Q177 F460	G169-C173 PolarHBondContact O-N 3.02Å; G169-C173 PolarHBondContact O-SG 3.08Å; G169-C173 VanDerWaalsContact O-SG 3.38Å; K170-C173 WeakPolarHBondContact O-CB 3.35Å; K170-C173 PolarHBondContact O-N 3.38Å; R171-C173 VanDerWaalsContact C-N 3.26Å; R171-C173 PolarHBondContact O-N 3.43Å; C173-W175 VanDerWaalsContact C-N 3.29Å; C173-W175 PolarHBondContact O-N 3.34Å; C173-I176 PolarHBondContact O-N 3.11Å; C173-Q177 WeakPolarHBondContact O-CB 3.41Å; C173-Q177 PolarHBondContact O-N 3.27Å; C173-F460 HydrophobicContact CB-CD1 3.83Å; C173-F460 HydrophobicContact CB-CE1 3.98Å
174	L	98.9	Very high	98.8	Very high	82 Å²	82	33 Å²	33	43%	0.429	16%	0.162	S	C	.	.	H	α-helix	trans	-61.7	-42.2	172.2	-83.5	63.2	0	0	0	110.5	K170 R171 C172 D178	K170-L174 VanDerWaalsContact O-CD1 3.27Å; K170-L174 WeakPolarHBondContact O-CD1 3.33Å; R171-L174 WeakPolarHBondContact O-CB 3.37Å; R171-L174 PolarHBondContact O-N 3.36Å; R171-L174 VanDerWaalsContact O-N 3.12Å; C172-L174 VanDerWaalsContact C-N 3.26Å; C172-L174 PolarHBondContact O-N 3.38Å; L174-D178 PolarHBondContact O-N 2.82Å
175	W	98.9	Very high	98.9	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-67.3	-43.2	178.2	-53.6	-20.6	0	0	0	111.8	L142 R171 C172 C173 Q177 L179 I265 D268 I269 L272 M278	L142-W175 HydrophobicContact CD2-CE3 4.32Å; R171-W175 HydrophobicContact CG-CZ2 4.01Å; C172-W175 HydrophobicContact CB-CE3 4.3Å; C172-W175 VanDerWaalsContact O-CB 3.29Å; C172-W175 WeakPolarHBondContact O-CB 3.38Å; C172-W175 PolarHBondContact O-N 3.12Å; C173-W175 VanDerWaalsContact C-N 3.29Å; C173-W175 PolarHBondContact O-N 3.34Å; W175-Q177 VanDerWaalsContact C-N 3.32Å; W175-Q177 PolarHBondContact O-N 3.49Å; W175-L179 WeakPolarHBondContact O-CG 3.43Å; W175-L179 PolarHBondContact O-N 3.08Å; W175-I265 HydrophobicContact CB-CD1 3.77Å; W175-I265 HydrophobicContact CB-CG1 3.61Å; W175-I265 HydrophobicContact CB-CG2 4.3Å; W175-I265 HydrophobicContact CD2-CG2 3.99Å; W175-I265 HydrophobicContact CE3-CG2 4.18Å; W175-I265 HydrophobicContact CG-CB 4.33Å; W175-I265 HydrophobicContact CG-CD1 4.41Å; W175-I265 HydrophobicContact CG-CG1 3.71Å; W175-I265 HydrophobicContact CG-CG2 4.05Å; W175-D268 HydrophobicContact CZ2-CB 3.73Å; W175-D268 PolarHBondContact NE1-OD2 3.07Å; W175-I269 HydrophobicContact CH2-CG1 3.94Å; W175-I269 HydrophobicContact CZ2-CG1 4.45Å; W175-I269 HydrophobicContact CZ3-CG1 4.32Å; W175-L272 HydrophobicContact CH2-CD1 4.12Å; W175-L272 HydrophobicContact CZ2-CD1 4.23Å; W175-M278 HydrophobicContact CH2-CE 4.49Å; W175-M278 HydrophobicContact CH2-SD 4.32Å
176	I	98.9	Very high	98.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.8	-40.9	179.1	-66.1	165.2	0	0	0	110.9	I139 L142 A143 A146 C172 C173 L179 C180 F460 L461 V465	I139-I176 HydrophobicContact CG2-CG2 4.06Å; L142-I176 HydrophobicContact CB-CD1 3.99Å; L142-I176 HydrophobicContact CB-CG1 3.62Å; L142-I176 HydrophobicContact CD1-CG1 4.46Å; A143-I176 HydrophobicContact CB-CD1 4.34Å; A146-I176 HydrophobicContact CB-CD1 3.83Å; C172-I176 WeakPolarHBondContact O-CG1 3.41Å; C172-I176 PolarHBondContact O-N 2.95Å; C173-I176 PolarHBondContact O-N 3.11Å; I176-L179 PolarHBondContact O-N 3.43Å; I176-C180 WeakPolarHBondContact O-CB 3.1Å; I176-C180 PolarHBondContact O-N 3.46Å; I176-C180 PolarHBondContact O-SG 2.87Å; I176-C180 VanDerWaalsContact O-SG 3.34Å; I176-F460 HydrophobicContact CB-CE1 3.93Å; I176-F460 HydrophobicContact CB-CZ 4.34Å; I176-F460 HydrophobicContact CG2-CE1 3.62Å; I176-F460 HydrophobicContact CG2-CZ 3.87Å; I176-L461 HydrophobicContact CD1-CD2 4.2Å; I176-V465 HydrophobicContact CG2-CG1 4.1Å; I176-V465 HydrophobicContact CG2-CG2 3.62Å
177	Q	98.9	Very high	98.9	Very high	94 Å²	94	31.1 Å²	31.1	44%	0.439	15%	0.15	S	C	.	.	H	α-helix	trans	-59.2	-49.2	-179.3	-170.2	-177.4	-81	0	0	112	C173 W175 L179 C180 M181 F460	C173-Q177 WeakPolarHBondContact O-CB 3.41Å; C173-Q177 PolarHBondContact O-N 3.27Å; W175-Q177 VanDerWaalsContact C-N 3.32Å; W175-Q177 PolarHBondContact O-N 3.49Å; Q177-L179 VanDerWaalsContact C-N 3.33Å; Q177-L179 PolarHBondContact O-N 3.48Å; Q177-C180 WeakPolarHBondContact O-CB 3.29Å; Q177-C180 PolarHBondContact O-N 3.27Å; Q177-M181 WeakPolarHBondContact O-CG 3.34Å; Q177-M181 PolarHBondContact O-N 3.46Å; Q177-F460 HydrophobicContact CB-CE2 4.24Å; Q177-F460 HydrophobicContact CB-CZ 3.87Å; Q177-F460 HydrophobicContact CG-CE2 4.28Å; Q177-F460 HydrophobicContact CG-CZ 4.39Å
178	D	98.9	Very high	98.9	Very high	48 Å²	48	35.8 Å²	35.8	26%	0.257	17%	0.168	S	C	.	.	H	α-helix	trans	-59.9	-44.1	177.9	-69.6	-1.9	0	0	0	111	L174 C180 M181 D182	L174-D178 PolarHBondContact O-N 2.82Å; D178-C180 PolarHBondContact O-N 2.8Å; D178-M181 WeakPolarHBondContact O-CB 3.41Å; D178-M181 PolarHBondContact O-N 2.89Å; D178-D182 PolarHBondContact O-N 2.97Å
179	L	98.9	Very high	98.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.9	-33.3	177.8	-65.9	176.1	0	0	0	113.2	L135 V138 I139 L142 W175 I176 Q177 M181 D182 L183 L258 V262 I265 L355	L135-L179 HydrophobicContact CD1-CB 4.06Å; L135-L179 HydrophobicContact CD1-CD2 3.84Å; L135-L179 HydrophobicContact CD1-CG 4.41Å; V138-L179 HydrophobicContact CG1-CD1 3.68Å; I139-L179 HydrophobicContact CD1-CB 4.03Å; I139-L179 HydrophobicContact CG1-CB 3.65Å; I139-L179 HydrophobicContact CG1-CD1 4.36Å; L142-L179 HydrophobicContact CD1-CD1 3.72Å; W175-L179 WeakPolarHBondContact O-CG 3.43Å; W175-L179 PolarHBondContact O-N 3.08Å; I176-L179 PolarHBondContact O-N 3.43Å; Q177-L179 VanDerWaalsContact C-N 3.33Å; Q177-L179 PolarHBondContact O-N 3.48Å; L179-M181 VanDerWaalsContact C-N 3.34Å; L179-D182 PolarHBondContact O-N 2.89Å; L179-L183 WeakPolarHBondContact O-CB 3.41Å; L179-L183 PolarHBondContact O-N 2.8Å; L179-L258 HydrophobicContact CD2-CD1 3.92Å; L179-V262 HydrophobicContact CD2-CG2 4.4Å; L179-I265 HydrophobicContact CD1-CD1 3.82Å; L179-I265 HydrophobicContact CD2-CD1 4.05Å; L179-I265 HydrophobicContact CG-CD1 3.79Å; L179-L355 HydrophobicContact CD1-CD2 4.47Å
180	C	98.9	Very high	98.9	Very high	8 Å²	8	39 Å²	39	5%	0.054	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-40.6	172.7	-77.3	0	0	0	0	111.2	I176 Q177 D178 D182 L183 Q184 L468	I176-C180 WeakPolarHBondContact O-CB 3.1Å; I176-C180 PolarHBondContact O-N 3.46Å; I176-C180 PolarHBondContact O-SG 2.87Å; I176-C180 VanDerWaalsContact O-SG 3.34Å; Q177-C180 WeakPolarHBondContact O-CB 3.29Å; Q177-C180 PolarHBondContact O-N 3.27Å; D178-C180 PolarHBondContact O-N 2.8Å; C180-D182 VanDerWaalsContact C-N 3.33Å; C180-L183 PolarHBondContact O-N 3.49Å; C180-Q184 WeakPolarHBondContact O-CG 3.3Å; C180-Q184 PolarHBondContact O-N 3.3Å; C180-L468 HydrophobicContact CB-CD1 3.83Å
181	M	98.9	Very high	98.9	Very high	98 Å²	98	39.7 Å²	39.7	48%	0.483	19%	0.186	S	C	.	.	H	α-helix	trans	-61.9	-42.4	173.7	-63.9	168.3	60.8	0	0	111	Q177 D178 L179 Q184 N185	Q177-M181 WeakPolarHBondContact O-CG 3.34Å; Q177-M181 PolarHBondContact O-N 3.46Å; D178-M181 WeakPolarHBondContact O-CB 3.41Å; D178-M181 PolarHBondContact O-N 2.89Å; L179-M181 VanDerWaalsContact C-N 3.34Å; M181-Q184 PolarHBondContact O-N 3.23Å; M181-N185 WeakPolarHBondContact O-CB 3.38Å; M181-N185 PolarHBondContact O-N 2.99Å; M181-N185 PolarHBondContact O-ND2 3.38Å
182	D	98.9	Very high	98.9	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-63	-41.2	174.9	-65.7	-45.4	0	0	0	111.9	L135 D178 L179 C180 Q184 N185 L186 S257 L258 S261	L135-D182 HydrophobicContact CD2-CB 4.05Å; D178-D182 PolarHBondContact O-N 2.97Å; L179-D182 PolarHBondContact O-N 2.89Å; C180-D182 VanDerWaalsContact C-N 3.33Å; D182-Q184 PolarHBondContact O-N 2.99Å; D182-N185 PolarHBondContact O-N 3.17Å; D182-L186 WeakPolarHBondContact O-CD1 3.26Å; D182-L186 PolarHBondContact O-N 3.11Å; D182-S257 PolarHBondContact OD1-OG 2.98Å; D182-L258 HydrophobicContact CB-CB 4.27Å; D182-L258 HydrophobicContact CB-CD1 3.98Å; D182-L258 WeakPolarHBondContact OD1-CA 3.37Å; D182-L258 PolarHBondContact OD1-N 3.32Å; D182-L258 WeakPolarHBondContact OD2-CA 3.27Å; D182-S261 WeakPolarHBondContact OD2-CB 3.42Å; D182-S261 PolarHBondContact OD2-OG 3.06Å
183	L	98.9	Very high	98.8	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-63.2	-44	178.1	-177.3	66.6	0	0	0	111.5	L132 L135 I139 L179 C180 N185 K187 L468 Y472	L132-L183 HydrophobicContact CD2-CD1 3.76Å; L135-L183 HydrophobicContact CB-CD1 4.37Å; L135-L183 HydrophobicContact CD2-CB 3.82Å; L135-L183 HydrophobicContact CD2-CD1 4.1Å; L135-L183 HydrophobicContact CG-CB 4.19Å; L135-L183 HydrophobicContact CG-CD1 4.17Å; I139-L183 HydrophobicContact CD1-CB 3.95Å; I139-L183 HydrophobicContact CD1-CD2 3.86Å; I139-L183 HydrophobicContact CD1-CG 4.45Å; L179-L183 WeakPolarHBondContact O-CB 3.41Å; L179-L183 PolarHBondContact O-N 2.8Å; C180-L183 PolarHBondContact O-N 3.49Å; L183-N185 VanDerWaalsContact C-N 3.34Å; L183-K187 VanDerWaalsContact O-CB 3.31Å; L183-K187 WeakPolarHBondContact O-CB 3.44Å; L183-K187 PolarHBondContact O-N 2.74Å; L183-L468 HydrophobicContact CD2-CB 4.18Å; L183-Y472 HydrophobicContact CD1-CE2 4.29Å; L183-Y472 HydrophobicContact CD2-CE2 4.4Å
184	Q	98.9	Very high	98.8	Very high	104 Å²	104	48 Å²	48	49%	0.486	23%	0.225	S	C	.	.	H	α-helix	trans	-61.5	-43.3	174.9	-71.9	171.6	-38.5	0	0	111.3	C180 M181 D182 K187 R188 L468	C180-Q184 WeakPolarHBondContact O-CG 3.3Å; C180-Q184 PolarHBondContact O-N 3.3Å; M181-Q184 PolarHBondContact O-N 3.23Å; D182-Q184 PolarHBondContact O-N 2.99Å; Q184-K187 PolarHBondContact O-N 3.27Å; Q184-R188 WeakPolarHBondContact O-CB 3.36Å; Q184-R188 PolarHBondContact O-N 3.27Å; Q184-L468 HydrophobicContact CG-CD1 4.12Å; Q184-L468 HydrophobicContact CG-CD2 3.98Å
185	N	98.9	Very high	98.8	Very high	43 Å²	43	44 Å²	44	23%	0.23	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-49.6	177.8	-82.5	-38.2	0	0	0	112.5	M181 D182 L183 K187 R188 V189 V254	M181-N185 WeakPolarHBondContact O-CB 3.38Å; M181-N185 PolarHBondContact O-N 2.99Å; M181-N185 PolarHBondContact O-ND2 3.38Å; D182-N185 PolarHBondContact O-N 3.17Å; L183-N185 VanDerWaalsContact C-N 3.34Å; N185-K187 VanDerWaalsContact C-N 3.28Å; N185-K187 PolarHBondContact O-N 3.47Å; N185-R188 PolarHBondContact O-N 3.49Å; N185-R188 PolarHBondContact OD1-NH2 2.94Å; N185-V189 WeakPolarHBondContact O-CG2 3.38Å; N185-V189 PolarHBondContact O-N 3.48Å; N185-V254 HydrophobicContact CB-CB 4.09Å; N185-V254 HydrophobicContact CB-CG1 3.79Å
186	L	98.9	Very high	98.8	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.4	-41.4	176.8	-93.6	61.9	0	0	0	111.1	L128 L131 L132 L135 D182 R190 V254 L255	L128-L186 HydrophobicContact CD2-CB 4.42Å; L128-L186 HydrophobicContact CD2-CG 4Å; L131-L186 HydrophobicContact CB-CD2 4.06Å; L131-L186 HydrophobicContact CD1-CD2 4.38Å; L132-L186 HydrophobicContact CD2-CB 3.7Å; L132-L186 HydrophobicContact CG-CB 4.48Å; L135-L186 HydrophobicContact CD2-CD2 4.26Å; D182-L186 WeakPolarHBondContact O-CD1 3.26Å; D182-L186 PolarHBondContact O-N 3.11Å; L186-R190 VanDerWaalsContact O-CB 3.26Å; L186-R190 WeakPolarHBondContact O-CB 3.48Å; L186-R190 PolarHBondContact O-N 3.09Å; L186-V254 HydrophobicContact CD1-CB 4.09Å; L186-V254 HydrophobicContact CD1-CG2 3.83Å; L186-L255 HydrophobicContact CD1-CD2 4.38Å
187	K	98.8	Very high	98.8	Very high	78 Å²	78	44 Å²	44	34%	0.339	20%	0.204	S	C	.	.	H	α-helix	trans	-64.2	-44.6	178.2	-174.8	61.8	166.4	76.7	0	111.8	L132 L183 Q184 N185 R190 D191	L132-K187 HydrophobicContact CD1-CD 4.28Å; L132-K187 HydrophobicContact CD2-CB 4.23Å; L183-K187 VanDerWaalsContact O-CB 3.31Å; L183-K187 WeakPolarHBondContact O-CB 3.44Å; L183-K187 PolarHBondContact O-N 2.74Å; Q184-K187 PolarHBondContact O-N 3.27Å; N185-K187 VanDerWaalsContact C-N 3.28Å; N185-K187 PolarHBondContact O-N 3.47Å; K187-R190 PolarHBondContact O-N 3.42Å; K187-D191 IonicContact NZ-OD1 2.62Å; K187-D191 PolarHBondContact NZ-OD1 3.29Å; K187-D191 IonicContact NZ-OD2 3.66Å; K187-D191 PolarHBondContact NZ-OD2 3.02Å; K187-D191 WeakPolarHBondContact O-CB 3.48Å; K187-D191 VanDerWaalsContact O-CG 3.28Å; K187-D191 PolarHBondContact O-N 3.45Å
188	R	98.9	Very high	98.8	Very high	98 Å²	98	39.6 Å²	39.6	37%	0.37	18%	0.184	S	C	.	.	H	α-helix	trans	-59.3	-52.9	176.2	179.5	177.5	55.4	67.8	3.2	111.1	Q184 N185 R190 D191 D192 E250	Q184-R188 WeakPolarHBondContact O-CB 3.36Å; Q184-R188 PolarHBondContact O-N 3.27Å; N185-R188 PolarHBondContact O-N 3.49Å; N185-R188 PolarHBondContact OD1-NH2 2.94Å; R188-R190 VanDerWaalsContact C-N 3.29Å; R188-R190 PolarHBondContact O-N 2.86Å; R188-D191 PolarHBondContact O-N 3.02Å; R188-D192 WeakPolarHBondContact CG-OD2 3.15Å; R188-D192 WeakPolarHBondContact O-CB 3.18Å; R188-D192 PolarHBondContact O-N 3.06Å; R188-E250 IonicContact CZ-OE1 2.96Å; R188-E250 IonicContact NH1-OE1 2.67Å; R188-E250 PolarHBondContact NH1-OE1 3.23Å
189	V	98.8	Very high	98.8	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.024	17%	0.172	C	C	.	.	H	α-helix	trans	-57.8	-43.2	178.7	174.5	0	0	0	0	111.2	L128 N185 L193 E250 V251 V254	L128-V189 HydrophobicContact CD1-CG1 4.05Å; N185-V189 WeakPolarHBondContact O-CG2 3.38Å; N185-V189 PolarHBondContact O-N 3.48Å; V189-L193 WeakPolarHBondContact O-CB 3.32Å; V189-L193 PolarHBondContact O-N 3.29Å; V189-L193 VanDerWaalsContact O-N 3.08Å; V189-E250 HydrophobicContact CG2-CG 3.81Å; V189-V251 HydrophobicContact CG1-CG2 3.7Å; V189-V254 HydrophobicContact CG2-CG1 3.92Å; V189-V254 HydrophobicContact CG2-CG2 4.02Å
190	R	98.8	Very high	98.7	Very high	70 Å²	70	37.5 Å²	37.5	26%	0.264	17%	0.173	S	C	.	.	H	α-helix	trans	-61.6	-45.2	177.4	-175.4	-84.6	-175.2	-145.1	-7.1	112.4	L128 D129 L132 L186 K187 R188	L128-R190 HydrophobicContact CB-CB 4.11Å; L128-R190 HydrophobicContact CB-CG 4.1Å; L128-R190 HydrophobicContact CD1-CB 3.96Å; D129-R190 WeakPolarHBondContact OD1-CG 3.33Å; D129-R190 IonicContact OD1-CZ 2.79Å; D129-R190 IonicContact OD1-NE 3.01Å; D129-R190 PolarHBondContact OD1-NE 3.14Å; D129-R190 IonicContact OD1-NH2 3.54Å; D129-R190 PolarHBondContact OD1-NH2 3.32Å; D129-R190 IonicContact OD2-CZ 2.77Å; D129-R190 IonicContact OD2-NE 2.55Å; D129-R190 PolarHBondContact OD2-NE 3.39Å; D129-R190 IonicContact OD2-NH2 3.96Å; D129-R190 PolarHBondContact OD2-NH2 3.37Å; L132-R190 HydrophobicContact CD1-CB 4.44Å; L132-R190 HydrophobicContact CD1-CG 4.31Å; L186-R190 VanDerWaalsContact O-CB 3.26Å; L186-R190 WeakPolarHBondContact O-CB 3.48Å; L186-R190 PolarHBondContact O-N 3.09Å; K187-R190 PolarHBondContact O-N 3.42Å; R188-R190 VanDerWaalsContact C-N 3.29Å; R188-R190 PolarHBondContact O-N 2.86Å
191	D	98.6	Very high	98.7	Very high	65 Å²	65	40.7 Å²	40.7	35%	0.348	19%	0.192	S	C	.	.	H	α-helix	trans	-73.9	-34.2	-176.7	-72.3	-17.1	0	0	0	113.1	K187 R188	K187-D191 IonicContact NZ-OD1 2.62Å; K187-D191 PolarHBondContact NZ-OD1 3.29Å; K187-D191 IonicContact NZ-OD2 3.66Å; K187-D191 PolarHBondContact NZ-OD2 3.02Å; K187-D191 WeakPolarHBondContact O-CB 3.48Å; K187-D191 VanDerWaalsContact O-CG 3.28Å; K187-D191 PolarHBondContact O-N 3.45Å; R188-D191 PolarHBondContact O-N 3.02Å
192	D	98.7	Very high	98.6	Very high	99 Å²	99	39.4 Å²	39.4	53%	0.529	19%	0.19	S	C	.	.	H	α-helix	trans	-84.8	-11.6	-178.5	-69.5	-21.5	0	0	0	112.8	R188 R194	R188-D192 WeakPolarHBondContact CG-OD2 3.15Å; R188-D192 WeakPolarHBondContact O-CB 3.18Å; R188-D192 PolarHBondContact O-N 3.06Å; D192-R194 WeakPolarHBondContact O-CG 3.46Å; D192-R194 PolarHBondContact O-N 2.82Å
193	L	98.6	Very high	98.6	Very high	16 Å²	16	40 Å²	40	8%	0.084	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-59.4	121.2	179.1	-162	69.8	0	0	0	110.6	L121 L124 R125 V189 F232 V247	L121-L193 HydrophobicContact CD2-CD1 3.99Å; L121-L193 HydrophobicContact CD2-CD2 4.43Å; L121-L193 HydrophobicContact CD2-CG 4.2Å; L124-L193 HydrophobicContact CB-CD2 4.29Å; R125-L193 HydrophobicContact CB-CD2 3.97Å; V189-L193 WeakPolarHBondContact O-CB 3.32Å; V189-L193 PolarHBondContact O-N 3.29Å; V189-L193 VanDerWaalsContact O-N 3.08Å; L193-F232 HydrophobicContact CB-CE1 4.36Å; L193-F232 HydrophobicContact CD2-CE1 4.09Å; L193-F232 HydrophobicContact CD2-CZ 4.38Å; L193-F232 HydrophobicContact CG-CE1 4.15Å; L193-F232 WeakPolarHBondContact O-CD1 3.45Å; L193-V247 HydrophobicContact CD1-CG1 3.55Å
194	R	98.8	Very high	98.6	Very high	93 Å²	93	44.1 Å²	44.1	35%	0.351	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-103.4	149.7	-179.2	-54.4	-176.3	-170.7	172.5	4.2	111	L121 D192 R234 F236	L121-R194 WeakPolarHBondContact CD1-O 3.37Å; D192-R194 WeakPolarHBondContact O-CG 3.46Å; D192-R194 PolarHBondContact O-N 2.82Å; R194-R234 WeakPolarHBondContact CA-O 3.49Å; R194-F236 HydrophobicContact CB-CD2 3.83Å; R194-F236 HydrophobicContact CB-CE1 4.42Å; R194-F236 HydrophobicContact CB-CE2 3.64Å; R194-F236 HydrophobicContact CB-CG 4.3Å; R194-F236 HydrophobicContact CB-CZ 3.95Å; R194-F236 HydrophobicContact CG-CZ 4.47Å
195	F	98.8	Very high	98.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-75.7	148.6	173.6	-154.6	-128.2	0	0	0	111.4	L42 N118 I122 V226 T227 A230 F232 R234 A235 F236	L42-F195 HydrophobicContact CD2-CZ 3.82Å; N118-F195 HydrophobicContact CB-CD2 4.39Å; N118-F195 HydrophobicContact CB-CE1 4.25Å; N118-F195 HydrophobicContact CB-CE2 3.49Å; N118-F195 VanDerWaalsContact CB-CE2 3.49Å; N118-F195 HydrophobicContact CB-CZ 3.42Å; N118-F195 VanDerWaalsContact CB-CZ 3.42Å; N118-F195 WeakPolarHBondContact OD1-CD2 3.36Å; N118-F195 WeakPolarHBondContact OD1-CE1 3.23Å; N118-F195 VanDerWaalsContact OD1-CE2 3.29Å; N118-F195 WeakPolarHBondContact OD1-CE2 3.2Å; N118-F195 VanDerWaalsContact OD1-CZ 3.24Å; N118-F195 WeakPolarHBondContact OD1-CZ 3.34Å; I122-F195 HydrophobicContact CD1-CE2 4.22Å; I122-F195 HydrophobicContact CG1-CE2 4.22Å; F195-V226 HydrophobicContact CE1-CG2 4.38Å; F195-T227 HydrophobicContact CB-CG2 3.93Å; F195-T227 HydrophobicContact CD1-CG2 4.35Å; F195-A230 HydrophobicContact CD1-CB 4.5Å; F195-A230 HydrophobicContact CD2-CB 4.28Å; F195-A230 HydrophobicContact CE1-CB 3.92Å; F195-A230 HydrophobicContact CE2-CB 3.67Å; F195-A230 HydrophobicContact CZ-CB 3.45Å; F195-A230 VanDerWaalsContact CZ-CB 3.45Å; F195-F232 HydrophobicContact CB-CB 3.8Å; F195-F232 HydrophobicContact CB-CD1 4.16Å; F195-F232 HydrophobicContact CB-CD2 4.11Å; F195-F232 HydrophobicContact CB-CG 3.77Å; F195-F232 AromaticContact CD2-CD2 3.39Å; F195-F232 HydrophobicContact CD2-CD2 3.39Å; F195-F232 AromaticContact CD2-CE2 3.53Å; F195-F232 HydrophobicContact CD2-CE2 3.53Å; F195-F232 AromaticContact CD2-CG 3.95Å; F195-F232 HydrophobicContact CD2-CG 3.95Å; F195-F232 HydrophobicContact CD2-CZ 4.18Å; F195-F232 AromaticContact CE2-CD2 3.99Å; F195-F232 HydrophobicContact CE2-CD2 3.99Å; F195-F232 AromaticContact CE2-CE2 3.96Å; F195-F232 HydrophobicContact CE2-CE2 3.96Å; F195-F232 HydrophobicContact CG-CB 4.36Å; F195-F232 AromaticContact CG-CD2 3.96Å; F195-F232 HydrophobicContact CG-CD2 3.96Å; F195-F232 HydrophobicContact CG-CE2 4.49Å; F195-F232 HydrophobicContact CG-CG 4.14Å; F195-R234 PolarHBondContact N-O 3.49Å; F195-A235 HydrophobicContact CB-CB 4.32Å; F195-A235 CarbonylContact O-C 3.57Å; F195-A235 WeakPolarHBondContact O-CA 3.43Å; F195-A235 WeakPolarHBondContact O-CB 3.24Å; F195-F236 WeakPolarHBondContact O-CD2 3.39Å; F195-F236 PolarHBondContact O-N 3.22Å
196	R	98.8	Very high	98.6	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	21%	0.214	C	C	.	.			trans	-72.4	-45.9	170.4	176.7	-169.9	173.3	-80.8	1.9	109.8	N118 L121 K199 G200 T239 Q241	N118-R196 VanDerWaalsContact OD1-CB 3.31Å; N118-R196 WeakPolarHBondContact OD1-CB 3.45Å; N118-R196 PolarHBondContact OD1-N 3.15Å; L121-R196 HydrophobicContact CD1-CB 4.04Å; R196-K199 HydrophobicContact CG-CG 4.34Å; R196-K199 VanDerWaalsContact O-CG 3.31Å; R196-K199 WeakPolarHBondContact O-CG 3.49Å; R196-K199 PolarHBondContact O-NZ 3.26Å; R196-G200 PolarHBondContact NH2-O 3.41Å; R196-T239 HydrophobicContact CG-CG2 4.44Å; R196-Q241 PolarHBondContact NE-O 3.42Å; R196-Q241 PolarHBondContact NH2-O 3.05Å
197	G	98.6	Very high	98.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.225	C	C	.	.			trans	77.1	-151.9	-177.8	0	0	0	0	0	113.3	N118 D223	N118-G197 PolarHBondContact ND2-O 2.76Å; N118-G197 VanDerWaalsContact ND2-O 3.07Å; N118-G197 PolarHBondContact OD1-N 3.33Å; G197-D223 VanDerWaalsContact CA-OD1 3.22Å; G197-D223 WeakPolarHBondContact CA-OD1 3.28Å
198	V	98.7	Very high	98.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-98.1	107.6	176	-75.5	0	0	0	0	110.1	L46 Y114 Q205 F208 L222 D223 V226	L46-V198 HydrophobicContact CD1-CG1 3.79Å; Y114-V198 HydrophobicContact CD2-CG1 3.73Å; Y114-V198 HydrophobicContact CE2-CG1 3.57Å; V198-Q205 VanDerWaalsContact O-CG 3.31Å; V198-Q205 WeakPolarHBondContact O-CG 3.48Å; V198-Q205 PolarHBondContact O-NE2 3.07Å; V198-F208 HydrophobicContact CB-CD2 4.16Å; V198-F208 HydrophobicContact CB-CE1 4.47Å; V198-F208 HydrophobicContact CB-CE2 3.66Å; V198-F208 HydrophobicContact CB-CZ 3.82Å; V198-F208 HydrophobicContact CG1-CE1 4.28Å; V198-F208 HydrophobicContact CG1-CE2 4.14Å; V198-F208 HydrophobicContact CG1-CZ 3.76Å; V198-L222 HydrophobicContact CB-CD2 4.5Å; V198-L222 HydrophobicContact CG1-CD2 4.35Å; V198-L222 HydrophobicContact CG1-CG 4.37Å; V198-L222 HydrophobicContact CG2-CB 4.21Å; V198-L222 HydrophobicContact CG2-CD2 3.99Å; V198-L222 HydrophobicContact CG2-CG 3.73Å; V198-D223 VanDerWaalsContact CG2-CA 3.43Å; V198-D223 HydrophobicContact CG2-CB 3.72Å; V198-D223 PolarHBondContact N-OD1 3.37Å; V198-V226 HydrophobicContact CG1-CG2 4.24Å; V198-V226 HydrophobicContact CG2-CG2 4.47Å
199	K	98.7	Very high	98.5	Very high	3 Å²	3	37 Å²	37	1%	0.013	21%	0.205	C	C	.	.			trans	-125.1	-4.5	-172.1	-64	-66.4	-175.7	-59.6	0	115.1	R196 G203 T204 Q205 D223 F236 T239	R196-K199 HydrophobicContact CG-CG 4.34Å; R196-K199 VanDerWaalsContact O-CG 3.31Å; R196-K199 WeakPolarHBondContact O-CG 3.49Å; R196-K199 PolarHBondContact O-NZ 3.26Å; K199-G203 CarbonylContact O-C 3.49Å; K199-G203 WeakPolarHBondContact O-CA 3.29Å; K199-G203 PolarHBondContact O-N 2.85Å; K199-T204 PolarHBondContact O-N 3.47Å; K199-Q205 HydrophobicContact CD-CG 4.23Å; K199-Q205 PolarHBondContact O-N 3.38Å; K199-D223 IonicContact NZ-OD1 3.88Å; K199-D223 PolarHBondContact NZ-OD1 2.9Å; K199-D223 IonicContact NZ-OD2 3.8Å; K199-D223 PolarHBondContact NZ-OD2 3.27Å; K199-F236 WeakPolarHBondContact CE-O 3.5Å; K199-F236 PolarHBondContact NZ-O 2.87Å; K199-T239 WeakPolarHBondContact CB-OG1 3.47Å; K199-T239 HydrophobicContact CG-CG2 4.18Å; K199-T239 VanDerWaalsContact CG-OG1 3.29Å; K199-T239 WeakPolarHBondContact CG-OG1 3.29Å
200	G	97.7	Very high	98.5	Very high	2 Å²	2	44.1 Å²	44.1	2%	0.021	24%	0.238	C	C	.	.			trans	66.2	-169.6	-172.3	0	0	0	0	0	112.8	T111 R196	T111-G200 WeakPolarHBondContact CG2-O 3.45Å; R196-G200 PolarHBondContact NH2-O 3.41Å
201	T	97.5	Very high	98.5	Very high	75 Å²	75	43.2 Å²	43.2	46%	0.46	24%	0.238	S	C	.	.	S	Bend	trans	-73.2	-29.9	-171.2	-55.1	0	0	0	0	114	Q241	T201-Q241 WeakPolarHBondContact O-CA 3.37Å; T201-Q241 WeakPolarHBondContact O-CB 3.25Å; T201-Q241 WeakPolarHBondContact O-CG 3.31Å; T201-Q241 PolarHBondContact O-NE2 3.21Å
202	T	98.4	Very high	98.5	Very high	70 Å²	70	40.6 Å²	40.6	43%	0.429	22%	0.224	S	C	.	.	S	Bend	trans	-125.9	16.9	-177.7	50.4	0	0	0	0	112.8	T204 G240 E328	T202-T204 VanDerWaalsContact C-N 3.32Å; T202-T204 PolarHBondContact O-N 3.37Å; T202-G240 CarbonylContact C-O 3.58Å; T202-E328 HydrophobicContact CG2-CG 4.5Å
203	G	98.3	Very high	98.4	Very high	13 Å²	13	45 Å²	45	13%	0.134	24%	0.241	C	C	.	.	S	Bend	trans	88.5	-7.6	175.9	0	0	0	0	0	115.6	K199 T239 G240	K199-G203 CarbonylContact O-C 3.49Å; K199-G203 WeakPolarHBondContact O-CA 3.29Å; K199-G203 PolarHBondContact O-N 2.85Å; G203-T239 WeakPolarHBondContact CA-O 3.49Å; G203-G240 WeakPolarHBondContact CA-O 3.38Å; G203-G240 PolarHBondContact N-O 2.96Å; G203-G240 VanDerWaalsContact N-O 3.13Å
204	T	98.6	Very high	98.4	Very high	92 Å²	92	46.4 Å²	46.4	56%	0.564	26%	0.259	S	S	*	.	S	Bend	trans	-89.2	-5.5	-171.8	61.5	0	0	0	0	114.3	K199 T202 A206	K199-T204 PolarHBondContact O-N 3.47Å; T202-T204 VanDerWaalsContact C-N 3.32Å; T202-T204 PolarHBondContact O-N 3.37Å; T204-A206 PolarHBondContact O-N 2.86Å
205	Q	98.6	Very high	98.4	Very high	40 Å²	40	45 Å²	45	19%	0.187	26%	0.258	C	S	.	.			trans	58.8	14.8	-177.1	-59.9	167.9	-51.3	0	0	115.3	V198 K199 S207 F208 L209 V219	V198-Q205 VanDerWaalsContact O-CG 3.31Å; V198-Q205 WeakPolarHBondContact O-CG 3.48Å; V198-Q205 PolarHBondContact O-NE2 3.07Å; K199-Q205 HydrophobicContact CD-CG 4.23Å; K199-Q205 PolarHBondContact O-N 3.38Å; Q205-S207 VanDerWaalsContact C-N 3.27Å; Q205-S207 PolarHBondContact O-N 3.02Å; Q205-S207 VanDerWaalsContact O-N 3.12Å; Q205-F208 PolarHBondContact O-N 2.95Å; Q205-L209 PolarHBondContact O-N 3.09Å; Q205-V219 HydrophobicContact CB-CG1 3.67Å; Q205-V219 HydrophobicContact CG-CG1 4.09Å
206	A	98.5	Very high	98.4	Very high	44 Å²	44	50.3 Å²	50.3	36%	0.364	29%	0.287	S	S	.	.	H	α-helix	trans	-55.3	-36.9	-173.2	0	0	0	0	0	114.3	T204 L209 Q210	T204-A206 PolarHBondContact O-N 2.86Å; A206-L209 PolarHBondContact O-N 3.44Å; A206-Q210 WeakPolarHBondContact O-CB 3.39Å; A206-Q210 VanDerWaalsContact O-CG 3.26Å; A206-Q210 WeakPolarHBondContact O-CG 3.36Å; A206-Q210 PolarHBondContact O-N 2.77Å
207	S	98.4	Very high	98.4	Very high	34 Å²	34	55.4 Å²	55.4	24%	0.238	31%	0.311	C	S	.	.	H	α-helix	trans	-63.9	-41.7	176.1	48.4	0	0	0	0	112.5	G109 Q205 Q210 L211	G109-S207 VanDerWaalsContact O-CB 3.28Å; G109-S207 WeakPolarHBondContact O-CB 3.36Å; G109-S207 PolarHBondContact O-OG 3.45Å; Q205-S207 VanDerWaalsContact C-N 3.27Å; Q205-S207 PolarHBondContact O-N 3.02Å; Q205-S207 VanDerWaalsContact O-N 3.12Å; S207-Q210 PolarHBondContact O-N 2.93Å; S207-L211 WeakPolarHBondContact O-CG 3.35Å; S207-L211 PolarHBondContact O-N 3.49Å
208	F	98.6	Very high	98.4	Very high	1 Å²	1	58.8 Å²	58.8	0%	0.004	33%	0.325	C	S	.	.	H	α-helix	trans	-71.7	-38.4	176.4	-62.8	-70.9	0	0	0	111.5	L46 G109 A110 V198 Q205 Q210 L211 F212 V219 L222	L46-F208 HydrophobicContact CD1-CE1 4.17Å; G109-F208 VanDerWaalsContact C-CZ 3.48Å; G109-F208 WeakPolarHBondContact O-CE2 3.47Å; G109-F208 WeakPolarHBondContact O-CZ 3.45Å; A110-F208 HydrophobicContact CB-CZ 4Å; V198-F208 HydrophobicContact CB-CD2 4.16Å; V198-F208 HydrophobicContact CB-CE1 4.47Å; V198-F208 HydrophobicContact CB-CE2 3.66Å; V198-F208 HydrophobicContact CB-CZ 3.82Å; V198-F208 HydrophobicContact CG1-CE1 4.28Å; V198-F208 HydrophobicContact CG1-CE2 4.14Å; V198-F208 HydrophobicContact CG1-CZ 3.76Å; Q205-F208 PolarHBondContact O-N 2.95Å; F208-Q210 VanDerWaalsContact C-N 3.28Å; F208-Q210 PolarHBondContact O-N 3.36Å; F208-L211 HydrophobicContact CD1-CD1 4.22Å; F208-L211 WeakPolarHBondContact O-CB 3.17Å; F208-L211 PolarHBondContact O-N 3.37Å; F208-L211 VanDerWaalsContact O-N 3.17Å; F208-F212 WeakPolarHBondContact O-CD2 3.36Å; F208-F212 PolarHBondContact O-N 2.79Å; F208-V219 HydrophobicContact CB-CG1 4.33Å; F208-V219 HydrophobicContact CB-CG2 4.24Å; F208-L222 HydrophobicContact CD1-CD2 3.53Å; F208-L222 HydrophobicContact CE1-CD2 3.86Å; F208-L222 HydrophobicContact CG-CD2 4.16Å
209	L	98.6	Very high	98.4	Very high	54 Å²	54	59 Å²	59	28%	0.283	33%	0.327	S	S	.	.	H	α-helix	trans	-60.8	-39.6	174.4	-171.9	65.9	0	0	0	111.5	Q205 A206 F212 E213 G214 V219	Q205-L209 PolarHBondContact O-N 3.09Å; A206-L209 PolarHBondContact O-N 3.44Å; L209-F212 CarbonylContact O-C 3.49Å; L209-F212 PolarHBondContact O-N 3.02Å; L209-E213 PolarHBondContact O-N 3Å; L209-G214 PolarHBondContact O-N 2.85Å; L209-V219 HydrophobicContact CB-CG2 4.14Å; L209-V219 HydrophobicContact CD1-CG2 4.04Å
210	Q	98.3	Very high	98.4	Very high	154 Å²	154	65 Å²	65	72%	0.72	36%	0.355	S	S	*	.	H	α-helix	trans	-65.1	-42.9	173	-74.3	170.1	-10.8	0	0	112.4	A206 S207 F208 F212 E213	A206-Q210 WeakPolarHBondContact O-CB 3.39Å; A206-Q210 VanDerWaalsContact O-CG 3.26Å; A206-Q210 WeakPolarHBondContact O-CG 3.36Å; A206-Q210 PolarHBondContact O-N 2.77Å; S207-Q210 PolarHBondContact O-N 2.93Å; F208-Q210 VanDerWaalsContact C-N 3.28Å; F208-Q210 PolarHBondContact O-N 3.36Å; Q210-F212 PolarHBondContact O-N 3.01Å; Q210-E213 PolarHBondContact O-N 3.34Å
211	L	97.9	Very high	98.4	Very high	51 Å²	51	68.5 Å²	68.5	27%	0.267	37%	0.371	S	S	.	.	H	α-helix	trans	-60.7	-33.8	176.2	-76.6	170	0	0	0	112.7	L55 L108 G109 S207 F208	L55-L211 HydrophobicContact CD1-CB 4.31Å; L55-L211 HydrophobicContact CD1-CD1 4.41Å; L55-L211 HydrophobicContact CD2-CB 4.43Å; L108-L211 HydrophobicContact CD1-CD1 4.46Å; L108-L211 HydrophobicContact CD1-CD2 3.97Å; L108-L211 HydrophobicContact CD2-CD2 4.31Å; L108-L211 HydrophobicContact CG-CD1 3.92Å; L108-L211 HydrophobicContact CG-CD2 4.05Å; G109-L211 VanDerWaalsContact CA-CD1 3.46Å; S207-L211 WeakPolarHBondContact O-CG 3.35Å; S207-L211 PolarHBondContact O-N 3.49Å; F208-L211 HydrophobicContact CD1-CD1 4.22Å; F208-L211 WeakPolarHBondContact O-CB 3.17Å; F208-L211 PolarHBondContact O-N 3.37Å; F208-L211 VanDerWaalsContact O-N 3.17Å
212	F	98.6	Very high	98.5	Very high	11 Å²	11	65 Å²	65	5%	0.048	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	22.9	177.8	-62.6	-59.8	0	0	0	113.5	L53 L55 F208 L209 Q210 G214 D215 K218 V219 L222	L53-F212 HydrophobicContact CB-CE1 3.64Å; L53-F212 HydrophobicContact CB-CZ 3.9Å; L53-F212 HydrophobicContact CD1-CE1 4.42Å; L53-F212 HydrophobicContact CD1-CE2 4.47Å; L53-F212 HydrophobicContact CD1-CZ 3.85Å; L55-F212 HydrophobicContact CD1-CE1 3.94Å; L55-F212 HydrophobicContact CD1-CZ 4.07Å; L55-F212 HydrophobicContact CD2-CD1 4.32Å; L55-F212 HydrophobicContact CD2-CE1 4.2Å; L55-F212 HydrophobicContact CG-CD1 4.32Å; L55-F212 HydrophobicContact CG-CE1 3.71Å; L55-F212 HydrophobicContact CG-CZ 4.32Å; F208-F212 WeakPolarHBondContact O-CD2 3.36Å; F208-F212 PolarHBondContact O-N 2.79Å; L209-F212 CarbonylContact O-C 3.49Å; L209-F212 PolarHBondContact O-N 3.02Å; Q210-F212 PolarHBondContact O-N 3.01Å; F212-G214 PolarHBondContact O-N 3.25Å; F212-G214 VanDerWaalsContact O-N 3.1Å; F212-D215 HydrophobicContact CB-CB 4.25Å; F212-D215 VanDerWaalsContact O-CB 3.24Å; F212-D215 WeakPolarHBondContact O-CB 3.36Å; F212-D215 PolarHBondContact O-N 2.99Å; F212-K218 HydrophobicContact CB-CB 4.04Å; F212-K218 HydrophobicContact CB-CD 4.23Å; F212-K218 HydrophobicContact CD1-CB 3.95Å; F212-K218 HydrophobicContact CD1-CD 3.69Å; F212-K218 HydrophobicContact CD1-CG 4.46Å; F212-K218 HydrophobicContact CD2-CB 3.98Å; F212-K218 HydrophobicContact CE1-CB 4.37Å; F212-K218 HydrophobicContact CE1-CD 4.3Å; F212-K218 HydrophobicContact CE2-CB 4.41Å; F212-K218 HydrophobicContact CG-CB 3.74Å; F212-K218 HydrophobicContact CG-CD 4.13Å; F212-V219 HydrophobicContact CD2-CG2 3.87Å; F212-L222 HydrophobicContact CE2-CB 4.29Å; F212-L222 HydrophobicContact CE2-CD2 3.83Å; F212-L222 HydrophobicContact CZ-CD2 4.2Å
213	E	98.2	Very high	98.5	Very high	192 Å²	192	62.7 Å²	62.7	90%	0.897	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	33.8	172.9	-58.1	-179	-174.1	0	0	114.3	L209 Q210	L209-E213 PolarHBondContact O-N 3Å; Q210-E213 PolarHBondContact O-N 3.34Å
214	G	98.1	Very high	98.6	Very high	44 Å²	44	68.1 Å²	68.1	45%	0.454	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	9.6	-179.7	0	0	0	0	0	115.2	L209 F212 D216	L209-G214 PolarHBondContact O-N 2.85Å; F212-G214 PolarHBondContact O-N 3.25Å; F212-G214 VanDerWaalsContact O-N 3.1Å; G214-D216 PolarHBondContact O-N 3.5Å
215	D	98.6	Very high	98.6	Very high	63 Å²	63	65.7 Å²	65.7	34%	0.337	34%	0.337	S	S	.	.			trans	-81.1	94	176.8	-171.3	-23.3	0	0	0	111.5	F212 H217 K218 V219	F212-D215 HydrophobicContact CB-CB 4.25Å; F212-D215 VanDerWaalsContact O-CB 3.24Å; F212-D215 WeakPolarHBondContact O-CB 3.36Å; F212-D215 PolarHBondContact O-N 2.99Å; D215-H217 PolarHBondContact O-N 3.47Å; D215-H217 WeakPolarHBondContact OD1-CB 3.04Å; D215-H217 PolarHBondContact OD1-N 3.32Å; D215-K218 HydrophobicContact CB-CB 4.26Å; D215-K218 HydrophobicContact CB-CD 4.25Å; D215-K218 HydrophobicContact CB-CG 4.3Å; D215-K218 PolarHBondContact O-N 2.96Å; D215-K218 PolarHBondContact OD1-N 3.44Å; D215-K218 VanDerWaalsContact OD1-N 3.1Å; D215-K218 WeakPolarHBondContact OD2-CD 3.46Å; D215-K218 WeakPolarHBondContact OD2-CG 3.5Å; D215-V219 PolarHBondContact O-N 3.33Å
216	D	98.6	Very high	98.6	Very high	112 Å²	112	63.8 Å²	63.8	60%	0.599	33%	0.328	S	S	*	.	H	α-helix	trans	-53.7	-37.3	175.4	-68	-89.3	0	0	0	112.6	G214 K218 V219 E220	G214-D216 PolarHBondContact O-N 3.5Å; D216-K218 PolarHBondContact O-N 2.92Å; D216-V219 WeakPolarHBondContact O-CB 3.21Å; D216-V219 PolarHBondContact O-N 3.26Å; D216-E220 PolarHBondContact O-N 3.33Å
217	H	98.5	Very high	98.6	Very high	109 Å²	109	62 Å²	62	51%	0.505	31%	0.313	S	S	.	.	H	α-helix	trans	-67.9	-40.3	-175.1	-172.1	56.3	0	0	0	111.7	D215 V219 E220 Q221	D215-H217 PolarHBondContact O-N 3.47Å; D215-H217 WeakPolarHBondContact OD1-CB 3.04Å; D215-H217 PolarHBondContact OD1-N 3.32Å; H217-V219 VanDerWaalsContact C-N 3.31Å; H217-V219 PolarHBondContact O-N 3.4Å; H217-E220 PolarHBondContact O-N 3Å; H217-Q221 PolarHBondContact CD2-NE2 2.64Å; H217-Q221 VanDerWaalsContact CD2-NE2 3.31Å; H217-Q221 PolarHBondContact NE2-NE2 2.9Å; H217-Q221 WeakPolarHBondContact O-CB 3.47Å; H217-Q221 WeakPolarHBondContact O-CG 3.27Å; H217-Q221 PolarHBondContact O-N 3.02Å
218	K	98.6	Very high	98.6	Very high	70 Å²	70	65.9 Å²	65.9	30%	0.304	33%	0.327	S	S	.	.	H	α-helix	trans	-63.6	-37	173.7	-75.8	-175.8	-179.5	-161.5	0	112.3	L53 F212 D215 D216 Q221 L222	L53-K218 WeakPolarHBondContact CD1-O 3.46Å; L53-K218 HydrophobicContact CD2-CG 4.35Å; L53-K218 WeakPolarHBondContact O-CE 3.14Å; L53-K218 PolarHBondContact O-NZ 2.9Å; F212-K218 HydrophobicContact CB-CB 4.04Å; F212-K218 HydrophobicContact CB-CD 4.23Å; F212-K218 HydrophobicContact CD1-CB 3.95Å; F212-K218 HydrophobicContact CD1-CD 3.69Å; F212-K218 HydrophobicContact CD1-CG 4.46Å; F212-K218 HydrophobicContact CD2-CB 3.98Å; F212-K218 HydrophobicContact CE1-CB 4.37Å; F212-K218 HydrophobicContact CE1-CD 4.3Å; F212-K218 HydrophobicContact CE2-CB 4.41Å; F212-K218 HydrophobicContact CG-CB 3.74Å; F212-K218 HydrophobicContact CG-CD 4.13Å; D215-K218 HydrophobicContact CB-CB 4.26Å; D215-K218 HydrophobicContact CB-CD 4.25Å; D215-K218 HydrophobicContact CB-CG 4.3Å; D215-K218 PolarHBondContact O-N 2.96Å; D215-K218 PolarHBondContact OD1-N 3.44Å; D215-K218 VanDerWaalsContact OD1-N 3.1Å; D215-K218 WeakPolarHBondContact OD2-CD 3.46Å; D215-K218 WeakPolarHBondContact OD2-CG 3.5Å; D216-K218 PolarHBondContact O-N 2.92Å; K218-Q221 PolarHBondContact O-N 3.42Å; K218-L222 WeakPolarHBondContact O-CB 3.25Å; K218-L222 PolarHBondContact O-N 3.5Å
219	V	98.8	Very high	98.6	Very high	5 Å²	5	69.5 Å²	69.5	3%	0.03	34%	0.342	C	S	.	.	H	α-helix	trans	-63.5	-46.3	175.5	178.1	0	0	0	0	110.9	Q205 F208 L209 F212 D215 D216 H217 Q221 L222 D223	Q205-V219 HydrophobicContact CB-CG1 3.67Å; Q205-V219 HydrophobicContact CG-CG1 4.09Å; F208-V219 HydrophobicContact CB-CG1 4.33Å; F208-V219 HydrophobicContact CB-CG2 4.24Å; L209-V219 HydrophobicContact CB-CG2 4.14Å; L209-V219 HydrophobicContact CD1-CG2 4.04Å; F212-V219 HydrophobicContact CD2-CG2 3.87Å; D215-V219 PolarHBondContact O-N 3.33Å; D216-V219 WeakPolarHBondContact O-CB 3.21Å; D216-V219 PolarHBondContact O-N 3.26Å; H217-V219 VanDerWaalsContact C-N 3.31Å; H217-V219 PolarHBondContact O-N 3.4Å; V219-Q221 PolarHBondContact O-N 3.02Å; V219-L222 PolarHBondContact O-N 2.92Å; V219-D223 PolarHBondContact O-N 3.05Å; V219-D223 VanDerWaalsContact O-N 3.14Å
220	E	98.8	Very high	98.6	Very high	130 Å²	130	67.1 Å²	67.1	61%	0.607	33%	0.33	S	S	*	.	H	α-helix	trans	-63.3	-40.3	175.9	-70.1	-170.3	102.6	0	0	112.2	D216 H217 D223 K224	D216-E220 PolarHBondContact O-N 3.33Å; H217-E220 PolarHBondContact O-N 3Å; E220-D223 PolarHBondContact O-N 3.45Å; E220-K224 WeakPolarHBondContact O-CB 3.34Å; E220-K224 PolarHBondContact O-N 3.48Å
221	Q	98.7	Very high	98.6	Very high	75 Å²	75	62.3 Å²	62.3	35%	0.35	32%	0.322	S	S	.	.	H	α-helix	trans	-63.8	-43.2	175.2	-74.9	-169	9.7	0	0	111.9	L53 H217 K218 V219 D223 K224 M225	L53-Q221 HydrophobicContact CD1-CB 4.48Å; L53-Q221 HydrophobicContact CD2-CB 3.87Å; H217-Q221 PolarHBondContact CD2-NE2 2.64Å; H217-Q221 VanDerWaalsContact CD2-NE2 3.31Å; H217-Q221 PolarHBondContact NE2-NE2 2.9Å; H217-Q221 WeakPolarHBondContact O-CB 3.47Å; H217-Q221 WeakPolarHBondContact O-CG 3.27Å; H217-Q221 PolarHBondContact O-N 3.02Å; K218-Q221 PolarHBondContact O-N 3.42Å; V219-Q221 PolarHBondContact O-N 3.02Å; Q221-D223 VanDerWaalsContact C-N 3.31Å; Q221-D223 PolarHBondContact O-N 3.04Å; Q221-K224 PolarHBondContact O-N 3.47Å; Q221-M225 WeakPolarHBondContact O-CB 3.3Å; Q221-M225 VanDerWaalsContact O-CG 3.22Å; Q221-M225 WeakPolarHBondContact O-CG 3.17Å; Q221-M225 PolarHBondContact O-N 2.97Å
222	L	98.8	Very high	98.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-56.6	-47.8	176.8	-179.2	59.4	0	0	0	110.7	L46 A49 E50 L53 V198 F208 F212 K218 V219 K224 M225 V226	L46-L222 HydrophobicContact CD1-CD1 4.22Å; L46-L222 HydrophobicContact CD1-CD2 4.27Å; A49-L222 HydrophobicContact CB-CD1 3.48Å; A49-L222 VanDerWaalsContact CB-CD1 3.48Å; E50-L222 HydrophobicContact CG-CD1 4Å; E50-L222 HydrophobicContact CG-CD2 4.26Å; L53-L222 HydrophobicContact CD1-CB 3.58Å; L53-L222 HydrophobicContact CD1-CD1 4.06Å; L53-L222 HydrophobicContact CD1-CG 4.38Å; V198-L222 HydrophobicContact CB-CD2 4.5Å; V198-L222 HydrophobicContact CG1-CD2 4.35Å; V198-L222 HydrophobicContact CG1-CG 4.37Å; V198-L222 HydrophobicContact CG2-CB 4.21Å; V198-L222 HydrophobicContact CG2-CD2 3.99Å; V198-L222 HydrophobicContact CG2-CG 3.73Å; F208-L222 HydrophobicContact CD1-CD2 3.53Å; F208-L222 HydrophobicContact CE1-CD2 3.86Å; F208-L222 HydrophobicContact CG-CD2 4.16Å; F212-L222 HydrophobicContact CE2-CB 4.29Å; F212-L222 HydrophobicContact CE2-CD2 3.83Å; F212-L222 HydrophobicContact CZ-CD2 4.2Å; K218-L222 WeakPolarHBondContact O-CB 3.25Å; K218-L222 PolarHBondContact O-N 3.5Å; V219-L222 PolarHBondContact O-N 2.92Å; L222-K224 VanDerWaalsContact C-N 3.35Å; L222-K224 PolarHBondContact O-N 3.13Å; L222-M225 PolarHBondContact O-N 3.48Å; L222-V226 HydrophobicContact CD1-CG1 4.23Å; L222-V226 WeakPolarHBondContact O-CG2 3.38Å; L222-V226 PolarHBondContact O-N 3.41Å; L222-V226 VanDerWaalsContact O-N 3.09Å
223	D	98.9	Very high	98.7	Very high	22 Å²	22	69.3 Å²	69.3	12%	0.118	35%	0.351	C	S	.	.	H	α-helix	trans	-60.3	-43.4	178.5	-163	49.9	0	0	0	112.5	G197 V198 K199 V219 E220 Q221 V226 T227	G197-D223 VanDerWaalsContact CA-OD1 3.22Å; G197-D223 WeakPolarHBondContact CA-OD1 3.28Å; V198-D223 VanDerWaalsContact CG2-CA 3.43Å; V198-D223 HydrophobicContact CG2-CB 3.72Å; V198-D223 PolarHBondContact N-OD1 3.37Å; K199-D223 IonicContact NZ-OD1 3.88Å; K199-D223 PolarHBondContact NZ-OD1 2.9Å; K199-D223 IonicContact NZ-OD2 3.8Å; K199-D223 PolarHBondContact NZ-OD2 3.27Å; V219-D223 PolarHBondContact O-N 3.05Å; V219-D223 VanDerWaalsContact O-N 3.14Å; E220-D223 PolarHBondContact O-N 3.45Å; Q221-D223 VanDerWaalsContact C-N 3.31Å; Q221-D223 PolarHBondContact O-N 3.04Å; D223-V226 WeakPolarHBondContact O-CG2 3.42Å; D223-T227 VanDerWaalsContact O-CB 3.28Å; D223-T227 WeakPolarHBondContact O-CB 3.32Å; D223-T227 PolarHBondContact O-N 2.83Å; D223-T227 PolarHBondContact O-OG1 3.35Å
224	K	98.8	Very high	98.7	Very high	128 Å²	128	67 Å²	67	56%	0.557	33%	0.334	S	S	*	.	H	α-helix	trans	-64.7	-47.4	176.4	-175.8	177.6	173.1	-176.1	0	112	E220 Q221 L222 V226 T227 E228	E220-K224 WeakPolarHBondContact O-CB 3.34Å; E220-K224 PolarHBondContact O-N 3.48Å; Q221-K224 PolarHBondContact O-N 3.47Å; L222-K224 VanDerWaalsContact C-N 3.35Å; L222-K224 PolarHBondContact O-N 3.13Å; K224-V226 PolarHBondContact O-N 3.26Å; K224-T227 WeakPolarHBondContact O-CB 3.5Å; K224-T227 PolarHBondContact O-N 2.92Å; K224-E228 WeakPolarHBondContact CE-OE1 3.45Å; K224-E228 WeakPolarHBondContact O-CG 3.35Å; K224-E228 PolarHBondContact O-N 2.87Å
225	M	98.8	Very high	98.7	Very high	41 Å²	41	65.6 Å²	65.6	20%	0.202	32%	0.318	C	S	.	.	H	α-helix	trans	-62.2	-45.9	-177.2	-72.4	175.1	73.6	0	0	112.4	A49 T52 L53 Q221 L222 T227 E228 K229	A49-M225 HydrophobicContact CB-CB 3.97Å; A49-M225 HydrophobicContact CB-CE 3.93Å; A49-M225 HydrophobicContact CB-SD 4.23Å; T52-M225 HydrophobicContact CG2-CE 3.78Å; L53-M225 HydrophobicContact CD1-SD 4.31Å; L53-M225 HydrophobicContact CD2-SD 4.36Å; L53-M225 HydrophobicContact CG-SD 4.24Å; Q221-M225 WeakPolarHBondContact O-CB 3.3Å; Q221-M225 VanDerWaalsContact O-CG 3.22Å; Q221-M225 WeakPolarHBondContact O-CG 3.17Å; Q221-M225 PolarHBondContact O-N 2.97Å; L222-M225 PolarHBondContact O-N 3.48Å; M225-T227 VanDerWaalsContact C-N 3.29Å; M225-T227 PolarHBondContact O-N 3.26Å; M225-E228 PolarHBondContact O-N 3.39Å; M225-K229 WeakPolarHBondContact O-CB 3.34Å; M225-K229 WeakPolarHBondContact O-CG 3.5Å; M225-K229 PolarHBondContact O-N 3.32Å
226	V	98.8	Very high	98.7	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-67.8	-32.3	178	-59.4	0	0	0	0	111.9	A49 F195 V198 L222 D223 K224 A230	A49-V226 HydrophobicContact CB-CG1 4.21Å; F195-V226 HydrophobicContact CE1-CG2 4.38Å; V198-V226 HydrophobicContact CG1-CG2 4.24Å; V198-V226 HydrophobicContact CG2-CG2 4.47Å; L222-V226 HydrophobicContact CD1-CG1 4.23Å; L222-V226 WeakPolarHBondContact O-CG2 3.38Å; L222-V226 PolarHBondContact O-N 3.41Å; L222-V226 VanDerWaalsContact O-N 3.09Å; D223-V226 WeakPolarHBondContact O-CG2 3.42Å; K224-V226 PolarHBondContact O-N 3.26Å; V226-A230 WeakPolarHBondContact O-CB 3.13Å; V226-A230 PolarHBondContact O-N 3.14Å
227	T	98.9	Very high	98.7	Very high	7 Å²	7	65 Å²	65	4%	0.043	31%	0.312	C	S	.	.	H	α-helix	trans	-66.3	-45.5	176.2	-62.2	0	0	0	0	111.5	F195 D223 K224 M225 A230 G231 F232 A235	F195-T227 HydrophobicContact CB-CG2 3.93Å; F195-T227 HydrophobicContact CD1-CG2 4.35Å; D223-T227 VanDerWaalsContact O-CB 3.28Å; D223-T227 WeakPolarHBondContact O-CB 3.32Å; D223-T227 PolarHBondContact O-N 2.83Å; D223-T227 PolarHBondContact O-OG1 3.35Å; K224-T227 WeakPolarHBondContact O-CB 3.5Å; K224-T227 PolarHBondContact O-N 2.92Å; M225-T227 VanDerWaalsContact C-N 3.29Å; M225-T227 PolarHBondContact O-N 3.26Å; T227-A230 PolarHBondContact O-N 2.97Å; T227-G231 PolarHBondContact O-N 3.02Å; T227-F232 HydrophobicContact CG2-CB 3.81Å; T227-F232 PolarHBondContact O-N 2.93Å; T227-A235 HydrophobicContact CG2-CB 4.05Å; T227-A235 WeakPolarHBondContact OG1-CB 3.33Å
228	E	98.7	Very high	98.7	Very high	114 Å²	114	66.7 Å²	66.7	53%	0.533	32%	0.324	S	S	.	.	H	α-helix	trans	-64.8	-45.2	176.3	-73.4	175.9	-177.5	0	0	111.5	K224 M225 A230 G231	K224-E228 WeakPolarHBondContact CE-OE1 3.45Å; K224-E228 WeakPolarHBondContact O-CG 3.35Å; K224-E228 PolarHBondContact O-N 2.87Å; M225-E228 PolarHBondContact O-N 3.39Å; E228-A230 VanDerWaalsContact C-N 3.25Å; E228-A230 PolarHBondContact O-N 3.31Å; E228-G231 WeakPolarHBondContact O-CA 3.42Å; E228-G231 PolarHBondContact O-N 2.59Å
229	K	98.7	Very high	98.7	Very high	78 Å²	78	64.3 Å²	64.3	34%	0.339	32%	0.315	S	S	.	.	H	α-helix	trans	-58.9	-35.8	175.1	-75	173.1	179.6	-76.9	0	112.4	W45 E48 M225 G231	W45-K229 HydrophobicContact CB-CB 4.26Å; W45-K229 HydrophobicContact CB-CD 3.79Å; W45-K229 HydrophobicContact CD2-CB 3.83Å; W45-K229 HydrophobicContact CE3-CB 4.36Å; W45-K229 HydrophobicContact CG-CB 3.77Å; W45-K229 HydrophobicContact CG-CD 3.87Å; W45-K229 HydrophobicContact CG-CG 4.37Å; W45-K229 WeakPolarHBondContact CZ2-O 3.12Å; E48-K229 IonicContact OE2-NZ 2.56Å; E48-K229 PolarHBondContact OE2-NZ 3.14Å; M225-K229 WeakPolarHBondContact O-CB 3.34Å; M225-K229 WeakPolarHBondContact O-CG 3.5Å; M225-K229 PolarHBondContact O-N 3.32Å; K229-G231 PolarHBondContact O-N 3.03Å
230	A	98.7	Very high	98.7	Very high	3 Å²	3	65 Å²	65	3%	0.025	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-4.2	174.7	0	0	0	0	0	114.2	W45 I122 R125 F195 V226 T227 E228 F232	W45-A230 HydrophobicContact CE3-CB 4.23Å; W45-A230 HydrophobicContact CH2-CB 4.38Å; W45-A230 HydrophobicContact CZ3-CB 3.7Å; I122-A230 HydrophobicContact CD1-CB 4.44Å; R125-A230 PolarHBondContact NH1-O 2.56Å; R125-A230 PolarHBondContact NH2-O 3.46Å; F195-A230 HydrophobicContact CD1-CB 4.5Å; F195-A230 HydrophobicContact CD2-CB 4.28Å; F195-A230 HydrophobicContact CE1-CB 3.92Å; F195-A230 HydrophobicContact CE2-CB 3.67Å; F195-A230 HydrophobicContact CZ-CB 3.45Å; F195-A230 VanDerWaalsContact CZ-CB 3.45Å; V226-A230 WeakPolarHBondContact O-CB 3.13Å; V226-A230 PolarHBondContact O-N 3.14Å; T227-A230 PolarHBondContact O-N 2.97Å; E228-A230 VanDerWaalsContact C-N 3.25Å; E228-A230 PolarHBondContact O-N 3.31Å; A230-F232 HydrophobicContact CB-CD2 4.03Å
231	G	98.6	Very high	98.7	Very high	54 Å²	54	60.9 Å²	60.9	56%	0.557	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	22.6	178.9	0	0	0	0	0	114.2	R125 T227 E228 K229	R125-G231 PolarHBondContact NH1-O 3.39Å; T227-G231 PolarHBondContact O-N 3.02Å; E228-G231 WeakPolarHBondContact O-CA 3.42Å; E228-G231 PolarHBondContact O-N 2.59Å; K229-G231 PolarHBondContact O-N 3.03Å
232	F	98.8	Very high	98.7	Very high	11 Å²	11	57.8 Å²	57.8	5%	0.048	29%	0.29	C	S	.	.			trans	-95.5	140	174.6	-79.8	-95.4	0	0	0	110.6	L121 I122 R125 L193 F195 T227 A230 R234	L121-F232 HydrophobicContact CB-CZ 4.19Å; I122-F232 HydrophobicContact CG1-CE2 3.92Å; R125-F232 HydrophobicContact CB-CZ 4.2Å; L193-F232 HydrophobicContact CB-CE1 4.36Å; L193-F232 HydrophobicContact CD2-CE1 4.09Å; L193-F232 HydrophobicContact CD2-CZ 4.38Å; L193-F232 HydrophobicContact CG-CE1 4.15Å; L193-F232 WeakPolarHBondContact O-CD1 3.45Å; F195-F232 HydrophobicContact CB-CB 3.8Å; F195-F232 HydrophobicContact CB-CD1 4.16Å; F195-F232 HydrophobicContact CB-CD2 4.11Å; F195-F232 HydrophobicContact CB-CG 3.77Å; F195-F232 AromaticContact CD2-CD2 3.39Å; F195-F232 HydrophobicContact CD2-CD2 3.39Å; F195-F232 AromaticContact CD2-CE2 3.53Å; F195-F232 HydrophobicContact CD2-CE2 3.53Å; F195-F232 AromaticContact CD2-CG 3.95Å; F195-F232 HydrophobicContact CD2-CG 3.95Å; F195-F232 HydrophobicContact CD2-CZ 4.18Å; F195-F232 AromaticContact CE2-CD2 3.99Å; F195-F232 HydrophobicContact CE2-CD2 3.99Å; F195-F232 AromaticContact CE2-CE2 3.96Å; F195-F232 HydrophobicContact CE2-CE2 3.96Å; F195-F232 HydrophobicContact CG-CB 4.36Å; F195-F232 AromaticContact CG-CD2 3.96Å; F195-F232 HydrophobicContact CG-CD2 3.96Å; F195-F232 HydrophobicContact CG-CE2 4.49Å; F195-F232 HydrophobicContact CG-CG 4.14Å; T227-F232 HydrophobicContact CG2-CB 3.81Å; T227-F232 PolarHBondContact O-N 2.93Å; A230-F232 HydrophobicContact CB-CD2 4.03Å; F232-R234 VanDerWaalsContact C-N 3.34Å
233	K	98.3	Very high	98.7	Very high	198 Å²	198	57.8 Å²	57.8	86%	0.861	29%	0.29	S	S	*	.	S	Bend	trans	-74.8	-25.7	177.9	-65.6	-179.2	179.7	176.7	0	112.9
234	R	98.4	Very high	98.7	Very high	142 Å²	142	60.3 Å²	60.3	54%	0.536	31%	0.307	S	S	.	.			trans	-152.1	143.6	-172.5	-163.6	175.3	-178.3	174.6	3.7	110.9	R194 F195 F232	R194-R234 WeakPolarHBondContact CA-O 3.49Å; F195-R234 PolarHBondContact N-O 3.49Å; F232-R234 VanDerWaalsContact C-N 3.34Å
235	A	98.8	Very high	98.7	Very high	16 Å²	16	54.6 Å²	54.6	13%	0.132	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-104.2	163.7	168	0	0	0	0	0	111.7	F195 T227	F195-A235 HydrophobicContact CB-CB 4.32Å; F195-A235 CarbonylContact O-C 3.57Å; F195-A235 WeakPolarHBondContact O-CA 3.43Å; F195-A235 WeakPolarHBondContact O-CB 3.24Å; T227-A235 HydrophobicContact CG2-CB 4.05Å; T227-A235 WeakPolarHBondContact OG1-CB 3.33Å
236	F	98.8	Very high	98.7	Very high	28 Å²	28	59.4 Å²	59.4	12%	0.123	30%	0.301	C	S	.	.			trans	-67.1	135.9	165.4	-72.8	-79.7	0	0	0	110.2	R194 F195 K199 T239 T244 V247	R194-F236 HydrophobicContact CB-CD2 3.83Å; R194-F236 HydrophobicContact CB-CE1 4.42Å; R194-F236 HydrophobicContact CB-CE2 3.64Å; R194-F236 HydrophobicContact CB-CG 4.3Å; R194-F236 HydrophobicContact CB-CZ 3.95Å; R194-F236 HydrophobicContact CG-CZ 4.47Å; F195-F236 WeakPolarHBondContact O-CD2 3.39Å; F195-F236 PolarHBondContact O-N 3.22Å; K199-F236 WeakPolarHBondContact CE-O 3.5Å; K199-F236 PolarHBondContact NZ-O 2.87Å; F236-T239 HydrophobicContact CB-CG2 3.55Å; F236-T239 HydrophobicContact CG-CG2 4.25Å; F236-T244 HydrophobicContact CE1-CG2 4.44Å; F236-V247 HydrophobicContact CE2-CG2 4.46Å; F236-V247 HydrophobicContact CZ-CG2 3.83Å
237	I	98.8	Very high	98.7	Very high	133 Å²	133	60.2 Å²	60.2	68%	0.682	31%	0.306	S	S	*	.	S	Bend	trans	-80.1	-45.3	166.6	-62.1	172.9	0	0	0	108.9
238	I	98.8	Very high	98.7	Very high	146 Å²	146	60 Å²	60	75%	0.749	30%	0.304	S	S	*	.	S	Bend	trans	-105	121.9	-177.4	-53.8	-58.7	0	0	0	109.8
239	T	98.8	Very high	98.7	Very high	19 Å²	19	55.9 Å²	55.9	12%	0.117	29%	0.286	C	S	.	.			trans	-141.1	155.8	171.5	60.7	0	0	0	0	109	R196 K199 G203 F236 T242	R196-T239 HydrophobicContact CG-CG2 4.44Å; K199-T239 WeakPolarHBondContact CB-OG1 3.47Å; K199-T239 HydrophobicContact CG-CG2 4.18Å; K199-T239 VanDerWaalsContact CG-OG1 3.29Å; K199-T239 WeakPolarHBondContact CG-OG1 3.29Å; G203-T239 WeakPolarHBondContact CA-O 3.49Å; F236-T239 HydrophobicContact CB-CG2 3.55Å; F236-T239 HydrophobicContact CG-CG2 4.25Å; T239-T242 WeakPolarHBondContact CB-O 3.21Å
240	G	98.2	Very high	98.7	Very high	20 Å²	20	55.8 Å²	55.8	21%	0.206	29%	0.287	C	S	.	.	S	Bend	trans	-80.6	-131.4	155.6	0	0	0	0	0	109.3	T202 G203 T242 E328	T202-G240 CarbonylContact C-O 3.58Å; G203-G240 WeakPolarHBondContact CA-O 3.38Å; G203-G240 PolarHBondContact N-O 2.96Å; G203-G240 VanDerWaalsContact N-O 3.13Å; G240-T242 VanDerWaalsContact C-N 3.29Å; G240-E328 WeakPolarHBondContact CA-O 3.26Å
241	Q	98.7	Very high	98.7	Very high	43 Å²	43	55.6 Å²	55.6	20%	0.201	29%	0.285	C	S	.	.	S	Bend	trans	-69.6	-29.4	168.4	-171.4	170.5	104.3	0	0	112.1	C113 R196 T201 E328 R329	C113-Q241 HydrophobicContact CB-CG 4.41Å; C113-Q241 WeakPolarHBondContact CB-O 3.47Å; R196-Q241 PolarHBondContact NE-O 3.42Å; R196-Q241 PolarHBondContact NH2-O 3.05Å; T201-Q241 WeakPolarHBondContact O-CA 3.37Å; T201-Q241 WeakPolarHBondContact O-CB 3.25Å; T201-Q241 WeakPolarHBondContact O-CG 3.31Å; T201-Q241 PolarHBondContact O-NE2 3.21Å; Q241-E328 PolarHBondContact N-O 3.03Å; Q241-R329 HydrophobicContact CB-CB 3.7Å; Q241-R329 HydrophobicContact CB-CG 4.48Å
242	T	98.8	Very high	98.7	Very high	10 Å²	10	53.1 Å²	53.1	6%	0.061	26%	0.259	C	S	.	.	S	Bend	trans	-115.5	168.1	-172.4	64.9	0	0	0	0	111.9	D117 T239 G240 R245 R329	D117-T242 WeakPolarHBondContact OD2-CA 3.13Å; D117-T242 WeakPolarHBondContact OD2-CB 3.14Å; T239-T242 WeakPolarHBondContact CB-O 3.21Å; G240-T242 VanDerWaalsContact C-N 3.29Å; T242-R245 VanDerWaalsContact CG2-NH2 3.34Å; T242-R329 HydrophobicContact CG2-CB 4.16Å; T242-R329 HydrophobicContact CG2-CG 3.69Å
243	Y	98.8	Very high	98.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-63.2	151.6	153.6	71.2	-100.6	0	0	0	108.9	D117 L121 R245 V247 D248 R337	D117-Y243 HydrophobicContact CB-CD1 3.78Å; D117-Y243 HydrophobicContact CB-CE1 4.09Å; D117-Y243 WeakPolarHBondContact OD2-CD1 3.4Å; D117-Y243 PolarHBondContact OD2-N 2.7Å; L121-Y243 HydrophobicContact CD1-CD1 3.72Å; L121-Y243 HydrophobicContact CD1-CE1 4.3Å; L121-Y243 HydrophobicContact CD1-CG 4.2Å; L121-Y243 HydrophobicContact CD2-CD1 3.99Å; L121-Y243 HydrophobicContact CD2-CD2 4.44Å; L121-Y243 HydrophobicContact CD2-CE1 4Å; L121-Y243 HydrophobicContact CD2-CE2 4.48Å; L121-Y243 HydrophobicContact CD2-CG 4.22Å; L121-Y243 HydrophobicContact CG-CD1 3.77Å; L121-Y243 HydrophobicContact CG-CE1 3.84Å; L121-Y243 HydrophobicContact CG-CG 4.41Å; Y243-R245 PolarHBondContact O-N 2.99Å; Y243-V247 HydrophobicContact CD2-CB 3.88Å; Y243-V247 HydrophobicContact CD2-CG1 4.4Å; Y243-V247 HydrophobicContact CD2-CG2 4.07Å; Y243-V247 HydrophobicContact CE2-CB 3.85Å; Y243-V247 HydrophobicContact CE2-CG1 4.18Å; Y243-D248 WeakPolarHBondContact CE2-OD1 3.2Å; Y243-D248 VanDerWaalsContact CZ-OD1 3.31Å; Y243-D248 PolarHBondContact OH-OD1 2.91Å; Y243-D248 PolarHBondContact OH-OD2 3.43Å; Y243-R337 PolarHBondContact OH-NH2 2.79Å
244	T	98.8	Very high	98.8	Very high	76 Å²	76	45.9 Å²	45.9	47%	0.466	24%	0.235	S	C	.	.			trans	-62.3	126.9	-179.5	177.7	0	0	0	0	111.1	F236 K246 V247	F236-T244 HydrophobicContact CE1-CG2 4.44Å; T244-K246 HydrophobicContact CG2-CB 4.21Å; T244-K246 PolarHBondContact O-N 3.45Å; T244-K246 WeakPolarHBondContact OG1-CB 3.41Å; T244-K246 PolarHBondContact OG1-N 3.44Å; T244-V247 HydrophobicContact CG2-CG2 4.1Å; T244-V247 WeakPolarHBondContact O-CB 3.41Å; T244-V247 WeakPolarHBondContact O-CG2 3.43Å; T244-V247 PolarHBondContact O-N 3.02Å
245	R	98.8	Very high	98.8	Very high	7 Å²	7	39.1 Å²	39.1	3%	0.026	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-5.4	178	-58.2	-52.3	-175.9	-144.1	4.8	113.5	D117 T242 Y243 V247 D248 I249 A322 Q325 D333	D117-R245 IonicContact OD1-CZ 2.72Å; D117-R245 IonicContact OD1-NH1 2.84Å; D117-R245 PolarHBondContact OD1-NH1 2.82Å; D117-R245 IonicContact OD1-NH2 2.65Å; D117-R245 PolarHBondContact OD1-NH2 3.19Å; D117-R245 IonicContact OD2-CZ 3.6Å; D117-R245 IonicContact OD2-NH1 2.97Å; D117-R245 PolarHBondContact OD2-NH1 3.17Å; D117-R245 IonicContact OD2-NH2 3.99Å; D117-R245 PolarHBondContact OD2-NH2 3.36Å; T242-R245 VanDerWaalsContact CG2-NH2 3.34Å; Y243-R245 PolarHBondContact O-N 2.99Å; R245-V247 PolarHBondContact O-N 3.41Å; R245-D248 WeakPolarHBondContact CD-OD2 3.4Å; R245-D248 WeakPolarHBondContact O-CB 3.35Å; R245-D248 PolarHBondContact O-N 3.45Å; R245-D248 VanDerWaalsContact O-N 3.09Å; R245-I249 PolarHBondContact O-N 3.3Å; R245-A322 HydrophobicContact CB-CB 3.92Å; R245-Q325 HydrophobicContact CG-CG 4.18Å; R245-D333 IonicContact CZ-OD2 2.92Å; R245-D333 IonicContact NE-OD2 3.56Å; R245-D333 PolarHBondContact NE-OD2 3.44Å; R245-D333 IonicContact NH2-OD2 3.48Å; R245-D333 PolarHBondContact NH2-OD2 2.69Å
246	K	98.9	Very high	98.8	Very high	142 Å²	142	39 Å²	39	62%	0.617	21%	0.208	S	C	*	.	H	α-helix	trans	-59.8	-27.4	164.8	-168.9	172.9	177.4	64.5	0	113.1	T244 D248 I249 E250	T244-K246 HydrophobicContact CG2-CB 4.21Å; T244-K246 PolarHBondContact O-N 3.45Å; T244-K246 WeakPolarHBondContact OG1-CB 3.41Å; T244-K246 PolarHBondContact OG1-N 3.44Å; K246-D248 VanDerWaalsContact C-N 3.31Å; K246-I249 WeakPolarHBondContact O-CB 3.48Å; K246-I249 PolarHBondContact O-N 2.99Å; K246-E250 PolarHBondContact O-N 3.45Å; K246-E250 VanDerWaalsContact O-N 3.12Å
247	V	98.9	Very high	98.8	Very high	17 Å²	17	40.2 Å²	40.2	10%	0.103	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-40.9	172	173.4	0	0	0	0	110.9	L121 L193 F236 Y243 T244 R245 I249 E250 V251	L121-V247 HydrophobicContact CD2-CG1 4.49Å; L193-V247 HydrophobicContact CD1-CG1 3.55Å; F236-V247 HydrophobicContact CE2-CG2 4.46Å; F236-V247 HydrophobicContact CZ-CG2 3.83Å; Y243-V247 HydrophobicContact CD2-CB 3.88Å; Y243-V247 HydrophobicContact CD2-CG1 4.4Å; Y243-V247 HydrophobicContact CD2-CG2 4.07Å; Y243-V247 HydrophobicContact CE2-CB 3.85Å; Y243-V247 HydrophobicContact CE2-CG1 4.18Å; T244-V247 HydrophobicContact CG2-CG2 4.1Å; T244-V247 WeakPolarHBondContact O-CB 3.41Å; T244-V247 WeakPolarHBondContact O-CG2 3.43Å; T244-V247 PolarHBondContact O-N 3.02Å; R245-V247 PolarHBondContact O-N 3.41Å; V247-I249 VanDerWaalsContact C-N 3.3Å; V247-I249 PolarHBondContact O-N 3.33Å; V247-E250 PolarHBondContact O-N 3.48Å; V247-E250 VanDerWaalsContact O-N 3.12Å; V247-V251 HydrophobicContact CG1-CG2 4.49Å; V247-V251 WeakPolarHBondContact O-CG2 3.35Å; V247-V251 PolarHBondContact O-N 3.35Å
248	D	98.9	Very high	98.8	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.011	19%	0.187	C	C	.	.	H	α-helix	trans	-65.8	-36.4	179.7	-61.2	-11.9	0	0	0	110.9	Y243 R245 K246 V251 L252 P318 R337 L341	Y243-D248 WeakPolarHBondContact CE2-OD1 3.2Å; Y243-D248 VanDerWaalsContact CZ-OD1 3.31Å; Y243-D248 PolarHBondContact OH-OD1 2.91Å; Y243-D248 PolarHBondContact OH-OD2 3.43Å; R245-D248 WeakPolarHBondContact CD-OD2 3.4Å; R245-D248 WeakPolarHBondContact O-CB 3.35Å; R245-D248 PolarHBondContact O-N 3.45Å; R245-D248 VanDerWaalsContact O-N 3.09Å; K246-D248 VanDerWaalsContact C-N 3.31Å; D248-V251 PolarHBondContact O-N 3.45Å; D248-L252 PolarHBondContact O-N 3.08Å; D248-P318 HydrophobicContact CB-CB 3.94Å; D248-R337 WeakPolarHBondContact OD2-CD 3.46Å; D248-R337 IonicContact OD2-CZ 2.75Å; D248-R337 IonicContact OD2-NE 2.83Å; D248-R337 PolarHBondContact OD2-NE 3Å; D248-L341 HydrophobicContact CB-CD2 4.17Å
249	I	98.9	Very high	98.8	Very high	28 Å²	28	26.9 Å²	26.9	14%	0.144	15%	0.152	C	C	.	.	H	α-helix	trans	-59.5	-48.3	171.4	-64.6	170.2	0	0	0	110.1	R245 K246 V247 V251 L252 S253 P318 L319 A322	R245-I249 PolarHBondContact O-N 3.3Å; K246-I249 WeakPolarHBondContact O-CB 3.48Å; K246-I249 PolarHBondContact O-N 2.99Å; V247-I249 VanDerWaalsContact C-N 3.3Å; V247-I249 PolarHBondContact O-N 3.33Å; I249-V251 VanDerWaalsContact C-N 3.34Å; I249-V251 PolarHBondContact O-N 3.06Å; I249-L252 PolarHBondContact O-N 2.92Å; I249-S253 WeakPolarHBondContact O-CB 3.48Å; I249-S253 PolarHBondContact O-N 3.32Å; I249-S253 PolarHBondContact O-OG 3.03Å; I249-P318 HydrophobicContact CG1-CB 3.92Å; I249-P318 HydrophobicContact CG1-CG 4.49Å; I249-P318 WeakPolarHBondContact CG1-O 3.26Å; I249-L319 HydrophobicContact CD1-CD2 4.05Å; I249-L319 HydrophobicContact CG1-CD2 4.28Å; I249-L319 HydrophobicContact CG2-CD2 3.83Å; I249-L319 HydrophobicContact CG2-CG 4.4Å; I249-A322 HydrophobicContact CD1-CB 3.62Å; I249-A322 HydrophobicContact CG1-CB 4.3Å
250	E	98.8	Very high	98.8	Very high	76 Å²	76	28.2 Å²	28.2	36%	0.355	16%	0.164	S	C	.	.	H	α-helix	trans	-61.3	-44.2	-177.2	-174.6	172	176.6	0	0	111.6	R188 V189 K246 V247 V254	R188-E250 IonicContact CZ-OE1 2.96Å; R188-E250 IonicContact NH1-OE1 2.67Å; R188-E250 PolarHBondContact NH1-OE1 3.23Å; V189-E250 HydrophobicContact CG2-CG 3.81Å; K246-E250 PolarHBondContact O-N 3.45Å; K246-E250 VanDerWaalsContact O-N 3.12Å; V247-E250 PolarHBondContact O-N 3.48Å; V247-E250 VanDerWaalsContact O-N 3.12Å; E250-V254 PolarHBondContact O-N 2.95Å
251	V	98.9	Very high	98.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.9	-51.6	177.8	177.6	0	0	0	0	111.5	L124 V189 V247 D248 I249 S253 V254 L255 F345	L124-V251 HydrophobicContact CD2-CG1 4.4Å; V189-V251 HydrophobicContact CG1-CG2 3.7Å; V247-V251 HydrophobicContact CG1-CG2 4.49Å; V247-V251 WeakPolarHBondContact O-CG2 3.35Å; V247-V251 PolarHBondContact O-N 3.35Å; D248-V251 PolarHBondContact O-N 3.45Å; I249-V251 VanDerWaalsContact C-N 3.34Å; I249-V251 PolarHBondContact O-N 3.06Å; V251-S253 VanDerWaalsContact C-N 3.34Å; V251-S253 PolarHBondContact O-N 3.08Å; V251-V254 WeakPolarHBondContact O-CG2 3.47Å; V251-V254 PolarHBondContact O-N 3.03Å; V251-L255 HydrophobicContact CG1-CD1 4.42Å; V251-L255 WeakPolarHBondContact O-CG 3.3Å; V251-L255 PolarHBondContact O-N 3.22Å; V251-F345 HydrophobicContact CG1-CE2 3.58Å; V251-F345 HydrophobicContact CG1-CZ 3.5Å; V251-F345 VanDerWaalsContact CG1-CZ 3.5Å
252	L	98.8	Very high	98.9	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-74.1	-25.1	-176.2	-96.4	59.2	0	0	0	112.9	D248 I249 L255 A256 P318 C340 L341 A344	D248-L252 PolarHBondContact O-N 3.08Å; I249-L252 PolarHBondContact O-N 2.92Å; L252-L255 HydrophobicContact CD1-CD1 4.5Å; L252-L255 PolarHBondContact O-N 3.02Å; L252-A256 VanDerWaalsContact O-CB 3.27Å; L252-A256 WeakPolarHBondContact O-CB 3.42Å; L252-A256 PolarHBondContact O-N 2.91Å; L252-P318 HydrophobicContact CB-CG 3.87Å; L252-P318 HydrophobicContact CD2-CG 3.71Å; L252-P318 HydrophobicContact CG-CG 4.4Å; L252-C340 HydrophobicContact CD2-CB 4.3Å; L252-L341 HydrophobicContact CD1-CD2 3.66Å; L252-L341 HydrophobicContact CD2-CD2 4.3Å; L252-A344 HydrophobicContact CD1-CB 3.97Å; L252-A344 HydrophobicContact CD2-CB 4.32Å; L252-A344 HydrophobicContact CG-CB 3.89Å
253	S	98.9	Very high	98.9	Very high	47 Å²	47	27 Å²	27	33%	0.329	15%	0.153	S	C	.	.	H	α-helix	trans	-66.3	-41.6	174.6	-61.7	0	0	0	0	111.8	I249 V251 L255 A256 S257	I249-S253 WeakPolarHBondContact O-CB 3.48Å; I249-S253 PolarHBondContact O-N 3.32Å; I249-S253 PolarHBondContact O-OG 3.03Å; V251-S253 VanDerWaalsContact C-N 3.34Å; V251-S253 PolarHBondContact O-N 3.08Å; S253-L255 VanDerWaalsContact C-N 3.35Å; S253-A256 PolarHBondContact O-N 3.31Å; S253-S257 PolarHBondContact O-N 3.37Å
254	V	98.9	Very high	98.9	Very high	10 Å²	10	30.6 Å²	30.6	6%	0.061	17%	0.169	C	C	.	.	H	α-helix	trans	-70.6	-33.2	177.3	-59.2	0	0	0	0	111.8	N185 L186 V189 E250 V251 L258	N185-V254 HydrophobicContact CB-CB 4.09Å; N185-V254 HydrophobicContact CB-CG1 3.79Å; L186-V254 HydrophobicContact CD1-CB 4.09Å; L186-V254 HydrophobicContact CD1-CG2 3.83Å; V189-V254 HydrophobicContact CG2-CG1 3.92Å; V189-V254 HydrophobicContact CG2-CG2 4.02Å; E250-V254 PolarHBondContact O-N 2.95Å; V251-V254 WeakPolarHBondContact O-CG2 3.47Å; V251-V254 PolarHBondContact O-N 3.03Å; V254-L258 PolarHBondContact O-N 3Å
255	L	98.9	Very high	98.9	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-69.4	-38.4	172.5	-63.9	-178.6	0	0	0	112	L131 L186 V251 L252 S253 L258 G259 L311 A344 F345 A348	L131-L255 HydrophobicContact CD1-CD2 3.68Å; L186-L255 HydrophobicContact CD1-CD2 4.38Å; V251-L255 HydrophobicContact CG1-CD1 4.42Å; V251-L255 WeakPolarHBondContact O-CG 3.3Å; V251-L255 PolarHBondContact O-N 3.22Å; L252-L255 HydrophobicContact CD1-CD1 4.5Å; L252-L255 PolarHBondContact O-N 3.02Å; S253-L255 VanDerWaalsContact C-N 3.35Å; L255-L258 WeakPolarHBondContact O-CB 3.35Å; L255-L258 PolarHBondContact O-N 2.97Å; L255-G259 PolarHBondContact O-N 2.83Å; L255-L311 HydrophobicContact CB-CD1 4.01Å; L255-L311 HydrophobicContact CB-CD2 4.32Å; L255-L311 HydrophobicContact CB-CG 4.22Å; L255-L311 WeakPolarHBondContact O-CD2 3.35Å; L255-L311 WeakPolarHBondContact O-CG 3.47Å; L255-A344 HydrophobicContact CD1-CB 3.94Å; L255-F345 HydrophobicContact CD1-CD1 4.33Å; L255-F345 HydrophobicContact CD1-CD2 4.11Å; L255-F345 HydrophobicContact CD1-CE1 4.25Å; L255-F345 HydrophobicContact CD1-CE2 4.01Å; L255-F345 HydrophobicContact CD1-CG 4.27Å; L255-F345 HydrophobicContact CD1-CZ 4.11Å; L255-A348 HydrophobicContact CD2-CB 4.08Å
256	A	98.9	Very high	98.9	Very high	12 Å²	12	26.7 Å²	26.7	10%	0.099	15%	0.146	C	C	.	.	H	α-helix	trans	-63.7	-41.5	174.4	0	0	0	0	0	111.8	L252 S253 G259 A260 M312 V315	L252-A256 VanDerWaalsContact O-CB 3.27Å; L252-A256 WeakPolarHBondContact O-CB 3.42Å; L252-A256 PolarHBondContact O-N 2.91Å; S253-A256 PolarHBondContact O-N 3.31Å; A256-G259 WeakPolarHBondContact O-CA 3.18Å; A256-G259 PolarHBondContact O-N 2.93Å; A256-G259 VanDerWaalsContact O-N 3.09Å; A256-A260 PolarHBondContact O-N 3.28Å; A256-M312 WeakPolarHBondContact O-CG 3.33Å; A256-V315 HydrophobicContact CB-CB 3.89Å; A256-V315 HydrophobicContact CB-CG1 4.48Å; A256-V315 HydrophobicContact CB-CG2 4.26Å
257	S	98.9	Very high	98.9	Very high	54 Å²	54	21.8 Å²	21.8	38%	0.378	13%	0.128	S	C	.	.	H	α-helix	trans	-57.8	-47.8	171.9	-176.1	0	0	0	0	111.6	D182 S253 G259 A260 S261	D182-S257 PolarHBondContact OD1-OG 2.98Å; S253-S257 PolarHBondContact O-N 3.37Å; S257-G259 PolarHBondContact O-N 2.95Å; S257-A260 WeakPolarHBondContact O-CA 3.46Å; S257-A260 WeakPolarHBondContact O-CB 3.21Å; S257-A260 PolarHBondContact O-N 3.42Å; S257-S261 PolarHBondContact O-N 3.31Å; S257-S261 PolarHBondContact O-OG 3.26Å
258	L	98.9	Very high	98.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-56.9	-39.5	172.9	173.1	65.8	0	0	0	111.9	L135 L179 D182 V254 L255 A260 S261 V262 L352	L135-L258 HydrophobicContact CD1-CD1 4.19Å; L179-L258 HydrophobicContact CD2-CD1 3.92Å; D182-L258 HydrophobicContact CB-CB 4.27Å; D182-L258 HydrophobicContact CB-CD1 3.98Å; D182-L258 WeakPolarHBondContact OD1-CA 3.37Å; D182-L258 PolarHBondContact OD1-N 3.32Å; D182-L258 WeakPolarHBondContact OD2-CA 3.27Å; V254-L258 PolarHBondContact O-N 3Å; L255-L258 WeakPolarHBondContact O-CB 3.35Å; L255-L258 PolarHBondContact O-N 2.97Å; L258-A260 VanDerWaalsContact C-N 3.34Å; L258-A260 PolarHBondContact O-N 2.9Å; L258-S261 PolarHBondContact O-N 3.09Å; L258-V262 HydrophobicContact CD1-CG2 3.96Å; L258-V262 HydrophobicContact CG-CG2 4.38Å; L258-V262 WeakPolarHBondContact O-CG2 3.34Å; L258-V262 PolarHBondContact O-N 3.37Å; L258-L352 HydrophobicContact CD1-CD2 4.19Å; L258-L352 HydrophobicContact CD2-CD1 4.32Å; L258-L352 HydrophobicContact CD2-CD2 4.21Å; L258-L352 HydrophobicContact CD2-CG 4.37Å
259	G	98.9	Very high	98.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-55.6	-46.5	171.4	0	0	0	0	0	112.3	L255 A256 S257 V262 H263 A308	L255-G259 PolarHBondContact O-N 2.83Å; A256-G259 WeakPolarHBondContact O-CA 3.18Å; A256-G259 PolarHBondContact O-N 2.93Å; A256-G259 VanDerWaalsContact O-N 3.09Å; S257-G259 PolarHBondContact O-N 2.95Å; G259-V262 PolarHBondContact O-N 3.33Å; G259-H263 VanDerWaalsContact O-CB 3.25Å; G259-H263 WeakPolarHBondContact O-CB 3.18Å; G259-H263 PolarHBondContact O-N 3.38Å; G259-A308 WeakPolarHBondContact O-CB 3.36Å
260	A	98.9	Very high	98.9	Very high	46 Å²	46	25 Å²	25	38%	0.38	14%	0.139	S	C	.	.	H	α-helix	trans	-62.1	-46.2	176.7	0	0	0	0	0	112.2	A256 S257 L258 H263 K264 M312	A256-A260 PolarHBondContact O-N 3.28Å; S257-A260 WeakPolarHBondContact O-CA 3.46Å; S257-A260 WeakPolarHBondContact O-CB 3.21Å; S257-A260 PolarHBondContact O-N 3.42Å; L258-A260 VanDerWaalsContact C-N 3.34Å; L258-A260 PolarHBondContact O-N 2.9Å; A260-H263 PolarHBondContact O-N 3.29Å; A260-K264 PolarHBondContact O-N 2.66Å; A260-M312 VanDerWaalsContact CA-SD 3.58Å; A260-M312 HydrophobicContact CB-CG 4.47Å; A260-M312 HydrophobicContact CB-SD 3.74Å
261	S	98.9	Very high	98.9	Very high	8 Å²	8	24.6 Å²	24.6	6%	0.056	14%	0.139	C	C	.	.	H	α-helix	trans	-56	-54.1	176.4	-52.7	0	0	0	0	111.2	D182 S257 L258 H263 K264 I265	D182-S261 WeakPolarHBondContact OD2-CB 3.42Å; D182-S261 PolarHBondContact OD2-OG 3.06Å; S257-S261 PolarHBondContact O-N 3.31Å; S257-S261 PolarHBondContact O-OG 3.26Å; L258-S261 PolarHBondContact O-N 3.09Å; S261-H263 VanDerWaalsContact C-N 3.33Å; S261-H263 PolarHBondContact O-N 3.23Å; S261-K264 PolarHBondContact O-N 3.33Å; S261-I265 WeakPolarHBondContact O-CD1 3.14Å; S261-I265 WeakPolarHBondContact O-CG1 3.33Å; S261-I265 PolarHBondContact O-N 3.47Å
262	V	98.9	Very high	98.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.8	-39.7	-179.4	173.1	0	0	0	0	111.7	L179 L258 G259 I265 C266 C304 A308 I351 L355	L179-V262 HydrophobicContact CD2-CG2 4.4Å; L258-V262 HydrophobicContact CD1-CG2 3.96Å; L258-V262 HydrophobicContact CG-CG2 4.38Å; L258-V262 WeakPolarHBondContact O-CG2 3.34Å; L258-V262 PolarHBondContact O-N 3.37Å; G259-V262 PolarHBondContact O-N 3.33Å; V262-I265 PolarHBondContact O-N 3.38Å; V262-C266 WeakPolarHBondContact O-CB 3.35Å; V262-C266 PolarHBondContact O-N 2.99Å; V262-C266 PolarHBondContact O-SG 2.98Å; V262-C266 VanDerWaalsContact O-SG 3.38Å; V262-C304 HydrophobicContact CG1-CB 4Å; V262-A308 HydrophobicContact CB-CB 4.42Å; V262-A308 HydrophobicContact CG1-CB 4.37Å; V262-I351 HydrophobicContact CB-CD1 4.28Å; V262-I351 HydrophobicContact CG1-CB 4.27Å; V262-I351 HydrophobicContact CG1-CD1 4.38Å; V262-I351 HydrophobicContact CG2-CD1 4.06Å; V262-L355 HydrophobicContact CG1-CD2 4.27Å; V262-L355 HydrophobicContact CG2-CD2 3.89Å
263	H	98.9	Very high	98.8	Very high	39 Å²	39	25.7 Å²	25.7	18%	0.181	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-45.8	178.5	-167.9	-60	0	0	0	111.4	G259 A260 S261 T267 C305 A308 M312	G259-H263 VanDerWaalsContact O-CB 3.25Å; G259-H263 WeakPolarHBondContact O-CB 3.18Å; G259-H263 PolarHBondContact O-N 3.38Å; A260-H263 PolarHBondContact O-N 3.29Å; S261-H263 VanDerWaalsContact C-N 3.33Å; S261-H263 PolarHBondContact O-N 3.23Å; H263-T267 PolarHBondContact ND1-OG1 3.33Å; H263-T267 VanDerWaalsContact O-CB 3.28Å; H263-T267 WeakPolarHBondContact O-CB 3.42Å; H263-T267 PolarHBondContact O-N 3.14Å; H263-T267 PolarHBondContact O-OG1 3.26Å; H263-C305 PolarHBondContact CD2-O 3.48Å; H263-C305 PolarHBondContact O-SG 3.35Å; H263-A308 HydrophobicContact CB-CB 4.11Å; H263-M312 HydrophobicContact CB-CE 4.2Å
264	K	98.9	Very high	98.8	Very high	77 Å²	77	29 Å²	29	34%	0.335	16%	0.161	S	C	.	.	H	α-helix	trans	-62	-47.2	177.1	-178.2	-91.5	-174.9	-70.8	0	111.6	A260 S261 T267 D268	A260-K264 PolarHBondContact O-N 2.66Å; S261-K264 PolarHBondContact O-N 3.33Å; K264-T267 PolarHBondContact O-N 3.32Å; K264-D268 IonicContact NZ-OD1 2.75Å; K264-D268 PolarHBondContact NZ-OD1 3.43Å; K264-D268 IonicContact NZ-OD2 3.87Å; K264-D268 PolarHBondContact NZ-OD2 3.26Å; K264-D268 PolarHBondContact O-N 3.02Å
265	I	98.9	Very high	98.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.3	-51.7	179.2	-65.2	167.4	0	0	0	110.6	W175 L179 S261 V262 T267 D268 I269 L355	W175-I265 HydrophobicContact CB-CD1 3.77Å; W175-I265 HydrophobicContact CB-CG1 3.61Å; W175-I265 HydrophobicContact CB-CG2 4.3Å; W175-I265 HydrophobicContact CD2-CG2 3.99Å; W175-I265 HydrophobicContact CE3-CG2 4.18Å; W175-I265 HydrophobicContact CG-CB 4.33Å; W175-I265 HydrophobicContact CG-CD1 4.41Å; W175-I265 HydrophobicContact CG-CG1 3.71Å; W175-I265 HydrophobicContact CG-CG2 4.05Å; L179-I265 HydrophobicContact CD1-CD1 3.82Å; L179-I265 HydrophobicContact CD2-CD1 4.05Å; L179-I265 HydrophobicContact CG-CD1 3.79Å; S261-I265 WeakPolarHBondContact O-CD1 3.14Å; S261-I265 WeakPolarHBondContact O-CG1 3.33Å; S261-I265 PolarHBondContact O-N 3.47Å; V262-I265 PolarHBondContact O-N 3.38Å; I265-T267 VanDerWaalsContact C-N 3.28Å; I265-T267 PolarHBondContact O-N 3.27Å; I265-D268 WeakPolarHBondContact O-CB 3.46Å; I265-D268 PolarHBondContact O-N 3.18Å; I265-I269 HydrophobicContact CG2-CD1 4.03Å; I265-I269 WeakPolarHBondContact O-CG1 3.5Å; I265-I269 PolarHBondContact O-N 3.2Å; I265-L355 HydrophobicContact CG2-CD1 4.3Å
266	C	98.9	Very high	98.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.7	-28.8	-178.6	-68.2	0	0	0	0	112.2	V262 I269 R270 S301 C304 C305	V262-C266 WeakPolarHBondContact O-CB 3.35Å; V262-C266 PolarHBondContact O-N 2.99Å; V262-C266 PolarHBondContact O-SG 2.98Å; V262-C266 VanDerWaalsContact O-SG 3.38Å; C266-I269 PolarHBondContact O-N 3.04Å; C266-R270 WeakPolarHBondContact O-CB 3.23Å; C266-R270 VanDerWaalsContact O-CD 3.24Å; C266-R270 WeakPolarHBondContact O-CD 3.42Å; C266-R270 WeakPolarHBondContact O-CG 3.46Å; C266-R270 PolarHBondContact O-N 2.84Å; C266-S301 WeakPolarHBondContact CB-O 3.35Å; C266-C304 HydrophobicContact CB-CB 4.14Å; C266-C304 WeakPolarHBondContact SG-CB 3.24Å; C266-C305 VanDerWaalsContact CB-SG 3.51Å
267	T	98.9	Very high	98.7	Very high	39 Å²	39	35.3 Å²	35.3	24%	0.239	19%	0.186	C	C	.	.	H	α-helix	trans	-65.3	-45.1	171.2	-64.2	0	0	0	0	111.2	H263 K264 I265 I269 R270 L271	H263-T267 PolarHBondContact ND1-OG1 3.33Å; H263-T267 VanDerWaalsContact O-CB 3.28Å; H263-T267 WeakPolarHBondContact O-CB 3.42Å; H263-T267 PolarHBondContact O-N 3.14Å; H263-T267 PolarHBondContact O-OG1 3.26Å; K264-T267 PolarHBondContact O-N 3.32Å; I265-T267 VanDerWaalsContact C-N 3.28Å; I265-T267 PolarHBondContact O-N 3.27Å; T267-I269 VanDerWaalsContact C-N 3.34Å; T267-I269 PolarHBondContact O-N 3.44Å; T267-R270 WeakPolarHBondContact O-CB 3.41Å; T267-R270 PolarHBondContact O-N 2.88Å; T267-L271 HydrophobicContact CG2-CD1 4.44Å; T267-L271 WeakPolarHBondContact O-CG 3.44Å; T267-L271 PolarHBondContact O-N 3.34Å
268	D	98.9	Very high	98.7	Very high	34 Å²	34	33 Å²	33	18%	0.182	17%	0.169	C	C	.	.	H	α-helix	trans	-59.3	-44.8	174.6	-73.4	1.1	0	0	0	111.5	W175 K264 I265 R270 L271 L272	W175-D268 HydrophobicContact CZ2-CB 3.73Å; W175-D268 PolarHBondContact NE1-OD2 3.07Å; K264-D268 IonicContact NZ-OD1 2.75Å; K264-D268 PolarHBondContact NZ-OD1 3.43Å; K264-D268 IonicContact NZ-OD2 3.87Å; K264-D268 PolarHBondContact NZ-OD2 3.26Å; K264-D268 PolarHBondContact O-N 3.02Å; I265-D268 WeakPolarHBondContact O-CB 3.46Å; I265-D268 PolarHBondContact O-N 3.18Å; D268-R270 VanDerWaalsContact C-N 3.31Å; D268-R270 PolarHBondContact O-N 3.42Å; D268-L271 PolarHBondContact O-N 3.22Å; D268-L271 VanDerWaalsContact O-N 3.16Å; D268-L272 VanDerWaalsContact O-CG 3.31Å; D268-L272 WeakPolarHBondContact O-CG 3.42Å; D268-L272 PolarHBondContact O-N 3.13Å
269	I	98.7	Very high	98.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.5	-41.7	178.2	-66.6	168.1	0	0	0	110.8	W175 I265 C266 T267 L271 L272 A273 S301 I358 L362	W175-I269 HydrophobicContact CH2-CG1 3.94Å; W175-I269 HydrophobicContact CZ2-CG1 4.45Å; W175-I269 HydrophobicContact CZ3-CG1 4.32Å; I265-I269 HydrophobicContact CG2-CD1 4.03Å; I265-I269 WeakPolarHBondContact O-CG1 3.5Å; I265-I269 PolarHBondContact O-N 3.2Å; C266-I269 PolarHBondContact O-N 3.04Å; T267-I269 VanDerWaalsContact C-N 3.34Å; T267-I269 PolarHBondContact O-N 3.44Å; I269-L271 VanDerWaalsContact C-N 3.35Å; I269-L271 PolarHBondContact O-N 3.27Å; I269-L272 PolarHBondContact O-N 2.95Å; I269-A273 WeakPolarHBondContact O-CB 3.48Å; I269-A273 PolarHBondContact O-N 3.11Å; I269-S301 WeakPolarHBondContact CG2-OG 3.42Å; I269-I358 HydrophobicContact CD1-CG2 4.01Å; I269-L362 HydrophobicContact CD1-CD2 4.36Å
270	R	98.7	Very high	98.5	Very high	81 Å²	81	35.2 Å²	35.2	31%	0.306	18%	0.18	S	C	.	.	H	α-helix	trans	-62.9	-39.8	175.8	-69.9	160.4	65.2	-145.1	-1.4	112.1	C266 T267 D268 A273 N274 P298 E302	C266-R270 WeakPolarHBondContact O-CB 3.23Å; C266-R270 VanDerWaalsContact O-CD 3.24Å; C266-R270 WeakPolarHBondContact O-CD 3.42Å; C266-R270 WeakPolarHBondContact O-CG 3.46Å; C266-R270 PolarHBondContact O-N 2.84Å; T267-R270 WeakPolarHBondContact O-CB 3.41Å; T267-R270 PolarHBondContact O-N 2.88Å; D268-R270 VanDerWaalsContact C-N 3.31Å; D268-R270 PolarHBondContact O-N 3.42Å; R270-A273 PolarHBondContact O-N 3.29Å; R270-N274 PolarHBondContact O-N 3.29Å; R270-N274 VanDerWaalsContact O-N 3.13Å; R270-P298 HydrophobicContact CB-CG 4.19Å; R270-P298 HydrophobicContact CG-CB 3.94Å; R270-P298 HydrophobicContact CG-CG 3.76Å; R270-E302 HydrophobicContact CG-CG 4.31Å
271	L	98.7	Very high	98.3	Very high	68 Å²	68	33.8 Å²	33.8	36%	0.356	17%	0.167	S	C	.	.	H	α-helix	trans	-66.9	-42.5	174.5	-65.5	175.3	0	0	0	111.3	F160 T267 D268 I269 A273 N274 L275	F160-L271 HydrophobicContact CE1-CD2 4.4Å; F160-L271 HydrophobicContact CE2-CB 4.37Å; F160-L271 HydrophobicContact CE2-CD1 4.44Å; F160-L271 HydrophobicContact CZ-CB 4.41Å; F160-L271 HydrophobicContact CZ-CD2 4.26Å; T267-L271 HydrophobicContact CG2-CD1 4.44Å; T267-L271 WeakPolarHBondContact O-CG 3.44Å; T267-L271 PolarHBondContact O-N 3.34Å; D268-L271 PolarHBondContact O-N 3.22Å; D268-L271 VanDerWaalsContact O-N 3.16Å; I269-L271 VanDerWaalsContact C-N 3.35Å; I269-L271 PolarHBondContact O-N 3.27Å; L271-A273 VanDerWaalsContact C-N 3.29Å; L271-A273 PolarHBondContact O-N 2.67Å; L271-N274 WeakPolarHBondContact O-CB 3.46Å; L271-N274 PolarHBondContact O-N 3.05Å; L271-N274 VanDerWaalsContact O-N 3.15Å; L271-L275 WeakPolarHBondContact O-CG 3.5Å; L271-L275 PolarHBondContact O-N 3.06Å
272	L	98.7	Very high	97.6	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	18%	0.178	C	C	.	.	H	α-helix	trans	-64.9	-32.5	176.8	-68.4	168.2	0	0	0	112.7	W175 D268 I269 L275 K276 E277 M278	W175-L272 HydrophobicContact CH2-CD1 4.12Å; W175-L272 HydrophobicContact CZ2-CD1 4.23Å; D268-L272 VanDerWaalsContact O-CG 3.31Å; D268-L272 WeakPolarHBondContact O-CG 3.42Å; D268-L272 PolarHBondContact O-N 3.13Å; I269-L272 PolarHBondContact O-N 2.95Å; L272-L275 HydrophobicContact CD2-CD1 4.39Å; L272-L275 CarbonylContact O-C 3.6Å; L272-L275 PolarHBondContact O-N 3.12Å; L272-K276 PolarHBondContact O-N 3.26Å; L272-E277 HydrophobicContact CD2-CB 4.21Å; L272-E277 WeakPolarHBondContact CD2-OE2 3.5Å; L272-E277 PolarHBondContact O-N 3.49Å; L272-M278 CarbonylContact C-O 3.44Å; L272-M278 HydrophobicContact CB-CB 3.9Å; L272-M278 HydrophobicContact CD1-CB 4.39Å; L272-M278 HydrophobicContact CD1-CE 4.08Å; L272-M278 HydrophobicContact CD1-SD 4.24Å; L272-M278 PolarHBondContact O-N 3.42Å
273	A	98	Very high	96.8	Very high	17 Å²	17	41.4 Å²	41.4	14%	0.14	20%	0.2	C	C	.	.	H	α-helix	trans	-66.8	-40.2	172.1	0	0	0	0	0	111.8	I269 R270 L271 L275 K276 M278 P298	I269-A273 WeakPolarHBondContact O-CB 3.48Å; I269-A273 PolarHBondContact O-N 3.11Å; R270-A273 PolarHBondContact O-N 3.29Å; L271-A273 VanDerWaalsContact C-N 3.29Å; L271-A273 PolarHBondContact O-N 2.67Å; A273-L275 VanDerWaalsContact C-N 3.31Å; A273-L275 PolarHBondContact O-N 3.2Å; A273-K276 PolarHBondContact O-N 2.99Å; A273-K276 VanDerWaalsContact O-N 3.09Å; A273-M278 WeakPolarHBondContact CA-O 3.31Å; A273-M278 PolarHBondContact N-O 3.34Å; A273-P298 HydrophobicContact CB-CB 4.32Å; A273-P298 HydrophobicContact CB-CG 4.37Å
274	N	98.2	Very high	96.1	Very high	117 Å²	117	49.8 Å²	49.8	63%	0.626	24%	0.237	S	C	*	.	H	α-helix	trans	-59.7	-44	170.6	176.5	-91.2	0	0	0	111.3	R270 L271 K276	R270-N274 PolarHBondContact O-N 3.29Å; R270-N274 VanDerWaalsContact O-N 3.13Å; L271-N274 WeakPolarHBondContact O-CB 3.46Å; L271-N274 PolarHBondContact O-N 3.05Å; L271-N274 VanDerWaalsContact O-N 3.15Å; N274-K276 PolarHBondContact O-N 2.96Å
275	L	98.4	Very high	95.4	Very high	23 Å²	23	54.9 Å²	54.9	12%	0.12	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-7.8	176.3	-64.5	174.6	0	0	0	113.8	F157 F160 L271 L272 A273 E277 V368 R372	F157-L275 HydrophobicContact CE2-CD1 3.82Å; F157-L275 HydrophobicContact CZ-CD1 3.76Å; F160-L275 HydrophobicContact CE2-CD1 3.97Å; F160-L275 HydrophobicContact CZ-CD1 4.2Å; F160-L275 HydrophobicContact CZ-CD2 4.26Å; F160-L275 HydrophobicContact CZ-CG 4.31Å; L271-L275 WeakPolarHBondContact O-CG 3.5Å; L271-L275 PolarHBondContact O-N 3.06Å; L272-L275 HydrophobicContact CD2-CD1 4.39Å; L272-L275 CarbonylContact O-C 3.6Å; L272-L275 PolarHBondContact O-N 3.12Å; A273-L275 VanDerWaalsContact C-N 3.31Å; A273-L275 PolarHBondContact O-N 3.2Å; L275-E277 HydrophobicContact CB-CG 3.97Å; L275-E277 PolarHBondContact O-N 2.95Å; L275-V368 WeakPolarHBondContact O-CG1 3.46Å; L275-R372 PolarHBondContact O-NH1 2.93Å; L275-R372 VanDerWaalsContact O-NH1 3.12Å; L275-R372 PolarHBondContact O-NH2 3.32Å
276	K	98.2	Very high	94.8	Very high	128 Å²	128	56.9 Å²	56.9	56%	0.557	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	24.1	-175	-49	-173.6	-173.2	-51.1	0	113.8	L272 A273 N274 Y365 V368	L272-K276 PolarHBondContact O-N 3.26Å; A273-K276 PolarHBondContact O-N 2.99Å; A273-K276 VanDerWaalsContact O-N 3.09Å; N274-K276 PolarHBondContact O-N 2.96Å; K276-Y365 WeakPolarHBondContact O-CB 3.47Å; K276-Y365 WeakPolarHBondContact O-CD2 3.37Å; K276-V368 HydrophobicContact CB-CG1 4.09Å; K276-V368 WeakPolarHBondContact O-CB 3.48Å; K276-V368 WeakPolarHBondContact O-CG1 3.5Å
277	E	98.6	Very high	93.2	Very high	3 Å²	3	63.6 Å²	63.6	1%	0.014	31%	0.305	C	S	.	.	S	Bend	trans	-86.7	-31.7	177.4	-64.3	-166.7	161	0	0	111.8	T154 R171 L272 L275 Y365 V368 I369 R372	T154-E277 PolarHBondContact OG1-OE2 3.26Å; R171-E277 IonicContact NH1-OE2 3.63Å; L272-E277 HydrophobicContact CD2-CB 4.21Å; L272-E277 WeakPolarHBondContact CD2-OE2 3.5Å; L272-E277 PolarHBondContact O-N 3.49Å; L275-E277 HydrophobicContact CB-CG 3.97Å; L275-E277 PolarHBondContact O-N 2.95Å; E277-Y365 PolarHBondContact O-N 2.88Å; E277-V368 HydrophobicContact CG-CG1 4.46Å; E277-I369 HydrophobicContact CB-CD1 4.25Å; E277-I369 HydrophobicContact CB-CG1 3.74Å; E277-I369 HydrophobicContact CG-CG1 3.72Å; E277-R372 WeakPolarHBondContact OE1-CD 3.5Å; E277-R372 IonicContact OE1-CZ 3.44Å; E277-R372 IonicContact OE1-NE 3.59Å; E277-R372 IonicContact OE1-NH1 3.84Å; E277-R372 PolarHBondContact OE1-NH1 3.32Å
278	M	98.4	Very high	91.9	Very high	5 Å²	5	62.8 Å²	62.8	3%	0.025	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	137.5	-178.1	-167.5	-178.1	-61.4	0	0	110.4	F145 V168 W175 L272 A273 L362 V363 V364	F145-M278 HydrophobicContact CE1-CE 3.98Å; F145-M278 HydrophobicContact CZ-CE 3.65Å; F145-M278 HydrophobicContact CZ-SD 4.27Å; V168-M278 HydrophobicContact CG1-CE 3.9Å; W175-M278 HydrophobicContact CH2-CE 4.49Å; W175-M278 HydrophobicContact CH2-SD 4.32Å; L272-M278 CarbonylContact C-O 3.44Å; L272-M278 HydrophobicContact CB-CB 3.9Å; L272-M278 HydrophobicContact CD1-CB 4.39Å; L272-M278 HydrophobicContact CD1-CE 4.08Å; L272-M278 HydrophobicContact CD1-SD 4.24Å; L272-M278 PolarHBondContact O-N 3.42Å; A273-M278 WeakPolarHBondContact CA-O 3.31Å; A273-M278 PolarHBondContact N-O 3.34Å; M278-L362 HydrophobicContact CG-CD2 4.21Å; M278-L362 HydrophobicContact SD-CB 4.49Å; M278-L362 HydrophobicContact SD-CD1 4.03Å; M278-L362 HydrophobicContact SD-CD2 3.85Å; M278-L362 HydrophobicContact SD-CG 4.35Å; M278-V363 CarbonylContact C-O 3.6Å; M278-V363 WeakPolarHBondContact CA-O 3.47Å; M278-V363 WeakPolarHBondContact CG-O 3.3Å; M278-V364 HydrophobicContact CE-CG2 4.26Å; M278-V364 HydrophobicContact CG-CG2 4.42Å
279	E	97.7	Very high	90.7	Very high	37 Å²	37	62.3 Å²	62.3	17%	0.173	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	149.1	173.1	-76.4	-179.2	-179.8	0	0	110.2	R296 V363 Y365	E279-R296 WeakPolarHBondContact OE2-CD 3.26Å; E279-R296 IonicContact OE2-NH1 3.21Å; E279-R296 PolarHBondContact OE2-NH1 2.7Å; E279-V363 PolarHBondContact N-O 3.11Å; E279-V363 PolarHBondContact O-N 2.99Å; E279-Y365 HydrophobicContact CB-CE2 4.1Å; E279-Y365 HydrophobicContact CG-CE2 3.8Å; E279-Y365 PolarHBondContact OE2-OH 3.44Å; E279-Y365 VanDerWaalsContact OE2-OH 3.09Å
280	E	97	Very high	89.7	Confident	10 Å²	10	68.5 Å²	68.5	5%	0.047	35%	0.347	C	S	.	.			trans	-69.4	159.5	166.5	70.3	177.6	-146.7	0	0	110.6	P298 M299 R300 S301 I358	E280-P298 VanDerWaalsContact OE1-C 3.26Å; E280-P298 VanDerWaalsContact OE2-CA 3.25Å; E280-P298 WeakPolarHBondContact OE2-CA 3.45Å; E280-M299 PolarHBondContact OE1-N 2.89Å; E280-R300 WeakPolarHBondContact OE1-CB 3.26Å; E280-R300 WeakPolarHBondContact OE1-CG 3.46Å; E280-R300 PolarHBondContact OE1-N 3.41Å; E280-R300 PolarHBondContact OE2-N 2.78Å; E280-S301 WeakPolarHBondContact OE2-CB 3.12Å; E280-S301 PolarHBondContact OE2-N 3.44Å; E280-S301 PolarHBondContact OE2-OG 2.89Å; E280-I358 HydrophobicContact CB-CG2 4.32Å
281	P	93.6	Very high	88.7	Confident	17 Å²	17	68.5 Å²	68.5	11%	0.11	37%	0.365	C	S	.	.			trans	-57.8	144.9	177.6	13.8	-23.1	0	0	0	112.5	R300 N357 I358 G361	P281-R300 PolarHBondContact O-NE 3.39Å; P281-R300 PolarHBondContact O-NH1 3.41Å; P281-R300 PolarHBondContact O-NH2 2.94Å; P281-N357 WeakPolarHBondContact CG-O 3.42Å; P281-I358 WeakPolarHBondContact CD-O 3.42Å; P281-G361 WeakPolarHBondContact CA-O 3.17Å; P281-G361 WeakPolarHBondContact CB-O 3.43Å; P281-G361 WeakPolarHBondContact CD-O 3.49Å
282	F	84.9	Confident	87.7	Confident	65 Å²	65	68.2 Å²	68.2	29%	0.285	36%	0.362	S	S	.	.			trans	-128.8	118.7	-177.3	-164.5	-92.3	0	0	0	110.1	Q286 R296	F282-Q286 HydrophobicContact CD1-CB 4.04Å; F282-Q286 HydrophobicContact CD2-CB 4.3Å; F282-Q286 HydrophobicContact CD2-CG 4.05Å; F282-Q286 HydrophobicContact CE1-CB 3.73Å; F282-Q286 HydrophobicContact CE1-CG 4.32Å; F282-Q286 WeakPolarHBondContact CE1-O 3.21Å; F282-Q286 HydrophobicContact CE2-CB 4.01Å; F282-Q286 HydrophobicContact CE2-CG 3.66Å; F282-Q286 HydrophobicContact CG-CB 4.33Å; F282-Q286 HydrophobicContact CZ-CB 3.72Å; F282-Q286 HydrophobicContact CZ-CG 3.83Å; F282-Q286 WeakPolarHBondContact CZ-O 3Å; F282-R296 HydrophobicContact CD2-CB 4.43Å; F282-R296 HydrophobicContact CD2-CG 4.07Å; F282-R296 HydrophobicContact CE2-CB 4.3Å; F282-R296 HydrophobicContact CE2-CG 3.85Å; F282-R296 HydrophobicContact CZ-CG 4.2Å
283	E	82.5	Confident	86.6	Confident	102 Å²	102	74 Å²	74	48%	0.477	40%	0.4	S	S	.	.			trans	-67.6	152.4	-178.7	-53.2	-52.9	133.4	0	0	111.2	Q285 Q286 R300	E283-Q285 PolarHBondContact O-N 3.23Å; E283-Q286 HydrophobicContact CB-CB 3.97Å; E283-Q286 WeakPolarHBondContact O-CB 3.36Å; E283-Q286 PolarHBondContact O-N 3.5Å; E283-R300 IonicContact OE1-CZ 3.95Å; E283-R300 IonicContact OE1-NH1 2.8Å; E283-R300 PolarHBondContact OE1-NH1 3.14Å; E283-R300 IonicContact OE1-NH2 3.54Å; E283-R300 PolarHBondContact OE1-NH2 3.22Å
284	K	83.5	Confident	85.9	Confident	216 Å²	216	82.1 Å²	82.1	94%	0.939	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-32.2	-178.4	-172	177.3	-179.1	178.1	0	113.8
285	Q	84.9	Confident	85.4	Confident	184 Å²	184	80.4 Å²	80.4	86%	0.86	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	6.7	-178.7	-66.4	177.5	-31.8	0	0	113.1	E283 I287	E283-Q285 PolarHBondContact O-N 3.23Å; Q285-I287 PolarHBondContact O-N 3.39Å
286	Q	85	Confident	84.9	Confident	41 Å²	41	85.7 Å²	85.7	19%	0.192	43%	0.434	C	S	.	.			trans	-66.9	130.2	-177.6	-174.2	171.9	-18.6	0	0	110.2	F282 E283	F282-Q286 HydrophobicContact CD1-CB 4.04Å; F282-Q286 HydrophobicContact CD2-CB 4.3Å; F282-Q286 HydrophobicContact CD2-CG 4.05Å; F282-Q286 HydrophobicContact CE1-CB 3.73Å; F282-Q286 HydrophobicContact CE1-CG 4.32Å; F282-Q286 WeakPolarHBondContact CE1-O 3.21Å; F282-Q286 HydrophobicContact CE2-CB 4.01Å; F282-Q286 HydrophobicContact CE2-CG 3.66Å; F282-Q286 HydrophobicContact CG-CB 4.33Å; F282-Q286 HydrophobicContact CZ-CB 3.72Å; F282-Q286 HydrophobicContact CZ-CG 3.83Å; F282-Q286 WeakPolarHBondContact CZ-O 3Å; E283-Q286 HydrophobicContact CB-CB 3.97Å; E283-Q286 WeakPolarHBondContact O-CB 3.36Å; E283-Q286 PolarHBondContact O-N 3.5Å
287	I	64.9	Low	84.7	Confident	142 Å²	142	82 Å²	82	73%	0.728	42%	0.42	S	S	*	.			trans	-99.2	117.5	172.1	-63.8	175.8	0	0	0	107.4	Q285 S289	Q285-I287 PolarHBondContact O-N 3.39Å; I287-S289 WeakPolarHBondContact CG2-O 3.11Å
288	G	71.9	Confident	84.6	Confident	21 Å²	21	82.8 Å²	82.8	22%	0.216	43%	0.425	C	S	.	.	S	Bend	trans	-81.8	-26.5	-178.1	0	0	0	0	0	114.4	K295 N297	G288-K295 VanDerWaalsContact CA-O 3.3Å; G288-K295 WeakPolarHBondContact CA-O 3.47Å; G288-N297 PolarHBondContact O-ND2 3.43Å
289	S	74.3	Confident	84.6	Confident	25 Å²	25	85.5 Å²	85.5	18%	0.175	44%	0.439	C	S	.	.			trans	-151.4	142.2	174.7	176.9	0	0	0	0	110.4	I287 A291 M292	I287-S289 WeakPolarHBondContact CG2-O 3.11Å; S289-A291 PolarHBondContact O-N 3.03Å; S289-A291 PolarHBondContact OG-N 2.92Å; S289-M292 PolarHBondContact OG-N 3.17Å
290	S	77.1	Confident	84.6	Confident	129 Å²	129	84.2 Å²	84.2	90%	0.902	43%	0.432	S	S	*	.	S	Bend	trans	-66.5	-20.4	174.9	52.6	0	0	0	0	113.9
291	A	77.8	Confident	84.6	Confident	82 Å²	82	83.7 Å²	83.7	68%	0.678	43%	0.43	S	S	*	.	S	Bend	trans	-121.4	-21.1	-174.7	0	0	0	0	0	114.2	S289	S289-A291 PolarHBondContact O-N 3.03Å; S289-A291 PolarHBondContact OG-N 2.92Å
292	M	79	Confident	84.9	Confident	62 Å²	62	87 Å²	87	31%	0.305	44%	0.444	S	S	.	.			trans	-118.5	91.9	-176.9	-68.8	173.2	-80.3	0	0	110.5	S289 Y294 K295	S289-M292 PolarHBondContact OG-N 3.17Å; M292-Y294 HydrophobicContact CB-CD1 4.47Å; M292-Y294 HydrophobicContact CB-CE1 4Å; M292-Y294 HydrophobicContact CG-CE1 4.21Å; M292-Y294 PolarHBondContact O-N 3.15Å; M292-Y294 VanDerWaalsContact O-N 3.13Å; M292-K295 HydrophobicContact CB-CB 3.76Å; M292-K295 HydrophobicContact CB-CD 4.4Å; M292-K295 HydrophobicContact CE-CD 3.5Å; M292-K295 VanDerWaalsContact CE-CD 3.5Å; M292-K295 WeakPolarHBondContact O-CB 3.48Å; M292-K295 PolarHBondContact O-N 3.41Å; M292-K295 HydrophobicContact SD-CD 3.86Å
293	P	75.4	Confident	85.5	Confident	129 Å²	129	85.1 Å²	85.1	84%	0.838	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.1	-172.8	24.4	-34.3	0	0	0	114.1
294	Y	82.4	Confident	86.3	Confident	187 Å²	187	80.2 Å²	80.2	73%	0.733	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-11.5	176.8	63.9	-93.9	0	0	0	113.6	M292	M292-Y294 HydrophobicContact CB-CD1 4.47Å; M292-Y294 HydrophobicContact CB-CE1 4Å; M292-Y294 HydrophobicContact CG-CE1 4.21Å; M292-Y294 PolarHBondContact O-N 3.15Å; M292-Y294 VanDerWaalsContact O-N 3.13Å
295	K	87.4	Confident	87	Confident	81 Å²	81	70 Å²	70	35%	0.352	37%	0.368	S	S	.	.			trans	-85.4	120.6	-168.6	-173.3	167.3	-176.3	156.7	0	111	G288 M292 N297	G288-K295 VanDerWaalsContact CA-O 3.3Å; G288-K295 WeakPolarHBondContact CA-O 3.47Å; M292-K295 HydrophobicContact CB-CB 3.76Å; M292-K295 HydrophobicContact CB-CD 4.4Å; M292-K295 HydrophobicContact CE-CD 3.5Å; M292-K295 VanDerWaalsContact CE-CD 3.5Å; M292-K295 WeakPolarHBondContact O-CB 3.48Å; M292-K295 PolarHBondContact O-N 3.41Å; M292-K295 HydrophobicContact SD-CD 3.86Å; K295-N297 WeakPolarHBondContact CE-OD1 3.5Å; K295-N297 WeakPolarHBondContact CG-OD1 3.19Å
296	R	88.4	Confident	87.7	Confident	134 Å²	134	64.5 Å²	64.5	51%	0.506	35%	0.349	S	S	.	.			trans	-105.6	124.9	167.2	-65.5	-176.3	175.6	178.2	-2.9	109.2	E279 F282	E279-R296 WeakPolarHBondContact OE2-CD 3.26Å; E279-R296 IonicContact OE2-NH1 3.21Å; E279-R296 PolarHBondContact OE2-NH1 2.7Å; F282-R296 HydrophobicContact CD2-CB 4.43Å; F282-R296 HydrophobicContact CD2-CG 4.07Å; F282-R296 HydrophobicContact CE2-CB 4.3Å; F282-R296 HydrophobicContact CE2-CG 3.85Å; F282-R296 HydrophobicContact CZ-CG 4.2Å
297	N	94.8	Very high	88.3	Confident	50 Å²	50	63.4 Å²	63.4	27%	0.267	35%	0.345	S	S	.	.			trans	-109.8	142.9	-179.6	-66.6	-41.2	0	0	0	109.9	G288 K295 M299	G288-N297 PolarHBondContact O-ND2 3.43Å; K295-N297 WeakPolarHBondContact CE-OD1 3.5Å; K295-N297 WeakPolarHBondContact CG-OD1 3.19Å; N297-M299 PolarHBondContact O-N 2.91Å
298	P	96.6	Very high	90	Very high	19 Å²	19	56.6 Å²	56.6	12%	0.123	31%	0.31	C	S	.	.			trans	-76.7	56.8	174.9	34.4	-37	0	0	0	111.8	R270 A273 E280 R300 S301 E302	R270-P298 HydrophobicContact CB-CG 4.19Å; R270-P298 HydrophobicContact CG-CB 3.94Å; R270-P298 HydrophobicContact CG-CG 3.76Å; A273-P298 HydrophobicContact CB-CB 4.32Å; A273-P298 HydrophobicContact CB-CG 4.37Å; E280-P298 VanDerWaalsContact OE1-C 3.26Å; E280-P298 VanDerWaalsContact OE2-CA 3.25Å; E280-P298 WeakPolarHBondContact OE2-CA 3.45Å; P298-R300 VanDerWaalsContact C-N 3.34Å; P298-R300 PolarHBondContact O-N 3.16Å; P298-S301 WeakPolarHBondContact O-CB 3.28Å; P298-S301 PolarHBondContact O-N 3.22Å; P298-E302 WeakPolarHBondContact O-CG 3.43Å; P298-E302 PolarHBondContact O-N 2.97Å
299	M	96.7	Very high	91.2	Very high	63 Å²	63	61.6 Å²	61.6	31%	0.31	32%	0.322	S	S	.	.	H	α-helix	trans	-66.8	-31	-170.4	65.6	79.6	78.3	0	0	113.4	E280 N297 R303	E280-M299 PolarHBondContact OE1-N 2.89Å; N297-M299 PolarHBondContact O-N 2.91Å; M299-R303 WeakPolarHBondContact O-CB 3.46Å; M299-R303 PolarHBondContact O-N 3.4Å
300	R	97.8	Very high	92.4	Very high	9 Å²	9	63.5 Å²	63.5	3%	0.034	33%	0.328	C	S	.	.	H	α-helix	trans	-70.1	-44.7	177.4	-56.8	172.4	-164.6	-166	3.1	108.6	E280 P281 E283 P298 R303 C304 T354 N357 I358 L482	E280-R300 WeakPolarHBondContact OE1-CB 3.26Å; E280-R300 WeakPolarHBondContact OE1-CG 3.46Å; E280-R300 PolarHBondContact OE1-N 3.41Å; E280-R300 PolarHBondContact OE2-N 2.78Å; P281-R300 PolarHBondContact O-NE 3.39Å; P281-R300 PolarHBondContact O-NH1 3.41Å; P281-R300 PolarHBondContact O-NH2 2.94Å; E283-R300 IonicContact OE1-CZ 3.95Å; E283-R300 IonicContact OE1-NH1 2.8Å; E283-R300 PolarHBondContact OE1-NH1 3.14Å; E283-R300 IonicContact OE1-NH2 3.54Å; E283-R300 PolarHBondContact OE1-NH2 3.22Å; P298-R300 VanDerWaalsContact C-N 3.34Å; P298-R300 PolarHBondContact O-N 3.16Å; R300-R303 PolarHBondContact O-N 2.88Å; R300-C304 PolarHBondContact O-N 3.41Å; R300-T354 HydrophobicContact CB-CG2 3.98Å; R300-N357 PolarHBondContact NH1-OD1 3.01Å; R300-I358 HydrophobicContact CB-CD1 3.68Å; R300-I358 HydrophobicContact CB-CG1 3.65Å; R300-L482 HydrophobicContact CG-CD1 4.25Å
301	S	98.5	Very high	93.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.9	-40.5	176	-51.6	0	0	0	0	111.8	C266 I269 E280 P298 C304 C305	C266-S301 WeakPolarHBondContact CB-O 3.35Å; I269-S301 WeakPolarHBondContact CG2-OG 3.42Å; E280-S301 WeakPolarHBondContact OE2-CB 3.12Å; E280-S301 PolarHBondContact OE2-N 3.44Å; E280-S301 PolarHBondContact OE2-OG 2.89Å; P298-S301 WeakPolarHBondContact O-CB 3.28Å; P298-S301 PolarHBondContact O-N 3.22Å; S301-C304 WeakPolarHBondContact O-CB 3.29Å; S301-C304 PolarHBondContact O-N 3.25Å; S301-C305 PolarHBondContact O-N 3.28Å; S301-C305 PolarHBondContact O-SG 2.98Å
302	E	98.6	Very high	94.5	Very high	85 Å²	85	56.4 Å²	56.4	40%	0.397	27%	0.268	S	S	.	.	H	α-helix	trans	-63.4	-41.9	174	-75.1	176.8	144.8	0	0	112.5	R270 P298 C305 S306	R270-E302 HydrophobicContact CG-CG 4.31Å; P298-E302 WeakPolarHBondContact O-CG 3.43Å; P298-E302 PolarHBondContact O-N 2.97Å; E302-C305 PolarHBondContact O-N 3.15Å; E302-S306 WeakPolarHBondContact O-CB 3.16Å; E302-S306 PolarHBondContact O-N 3.46Å
303	R	98.5	Very high	95.4	Very high	26 Å²	26	57.6 Å²	57.6	10%	0.098	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-45.2	173.6	178.7	167.5	67.8	-153.7	11.6	111.4	M299 R300 S306 L307 L484	M299-R303 WeakPolarHBondContact O-CB 3.46Å; M299-R303 PolarHBondContact O-N 3.4Å; R300-R303 PolarHBondContact O-N 2.88Å; R303-S306 PolarHBondContact O-N 2.86Å; R303-L307 HydrophobicContact CG-CD1 3.99Å; R303-L307 HydrophobicContact CG-CG 4.5Å; R303-L307 PolarHBondContact O-N 2.84Å; R303-L484 VanDerWaalsContact NH1-CD1 3.3Å; R303-L484 PolarHBondContact NH1-O 3.1Å; R303-L484 PolarHBondContact NH1-OXT 3.31Å; R303-L484 PolarHBondContact NH2-O 2.81Å
304	C	98.8	Very high	96.5	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-56.4	-51	173.2	-77.6	0	0	0	0	111.5	V262 C266 R300 S301 S306 L307 A308 T354	V262-C304 HydrophobicContact CG1-CB 4Å; C266-C304 HydrophobicContact CB-CB 4.14Å; C266-C304 WeakPolarHBondContact SG-CB 3.24Å; R300-C304 PolarHBondContact O-N 3.41Å; S301-C304 WeakPolarHBondContact O-CB 3.29Å; S301-C304 PolarHBondContact O-N 3.25Å; C304-S306 VanDerWaalsContact C-N 3.27Å; C304-S306 PolarHBondContact O-N 3.45Å; C304-L307 PolarHBondContact O-N 3.07Å; C304-A308 WeakPolarHBondContact O-CB 3.37Å; C304-A308 PolarHBondContact O-N 3.4Å; C304-T354 WeakPolarHBondContact SG-CG2 3.23Å
305	C	98.8	Very high	97.3	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-57.7	-39	175.8	-72.6	0	0	0	0	112.5	H263 C266 S301 E302 R309	H263-C305 PolarHBondContact CD2-O 3.48Å; H263-C305 PolarHBondContact O-SG 3.35Å; C266-C305 VanDerWaalsContact CB-SG 3.51Å; S301-C305 PolarHBondContact O-N 3.28Å; S301-C305 PolarHBondContact O-SG 2.98Å; E302-C305 PolarHBondContact O-N 3.15Å; C305-R309 WeakPolarHBondContact O-CB 3.12Å; C305-R309 PolarHBondContact O-N 3.5Å; C305-R309 VanDerWaalsContact O-N 3.16Å
306	S	98.9	Very high	97.8	Very high	67 Å²	67	45.2 Å²	45.2	47%	0.469	22%	0.221	S	C	.	.	H	α-helix	trans	-66.7	-47.9	-179.2	-164	0	0	0	0	112.3	E302 R303 C304 R309 H310	E302-S306 WeakPolarHBondContact O-CB 3.16Å; E302-S306 PolarHBondContact O-N 3.46Å; R303-S306 PolarHBondContact O-N 2.86Å; C304-S306 VanDerWaalsContact C-N 3.27Å; C304-S306 PolarHBondContact O-N 3.45Å; S306-R309 PolarHBondContact O-N 3.43Å; S306-H310 PolarHBondContact O-N 3.4Å
307	L	98.8	Very high	98.3	Very high	18 Å²	18	40.9 Å²	40.9	9%	0.094	21%	0.208	C	C	.	.	H	α-helix	trans	-71.7	-40.6	179.6	-71.2	175.7	0	0	0	111.9	L17 Y21 R303 C304 R309 H310 L311 T347 T350 I351	L17-L307 HydrophobicContact CD2-CD2 4.35Å; Y21-L307 HydrophobicContact CD2-CD2 4.34Å; Y21-L307 HydrophobicContact CE2-CD2 4.34Å; R303-L307 HydrophobicContact CG-CD1 3.99Å; R303-L307 HydrophobicContact CG-CG 4.5Å; R303-L307 PolarHBondContact O-N 2.84Å; C304-L307 PolarHBondContact O-N 3.07Å; L307-R309 PolarHBondContact O-N 3.17Å; L307-H310 WeakPolarHBondContact O-CB 3.41Å; L307-H310 PolarHBondContact O-N 3.27Å; L307-L311 PolarHBondContact O-N 3.36Å; L307-T347 HydrophobicContact CB-CG2 3.91Å; L307-T347 HydrophobicContact CD2-CG2 4.49Å; L307-T347 WeakPolarHBondContact O-CG2 3.37Å; L307-T350 HydrophobicContact CD1-CG2 3.46Å; L307-T350 VanDerWaalsContact CD1-CG2 3.46Å; L307-I351 HydrophobicContact CB-CG2 3.5Å; L307-I351 VanDerWaalsContact CB-CG2 3.5Å; L307-I351 HydrophobicContact CD1-CG2 4.25Å
308	A	98.9	Very high	98.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.3	-32.6	175.1	0	0	0	0	0	112.5	G259 V262 H263 C304 L311 M312	G259-A308 WeakPolarHBondContact O-CB 3.36Å; V262-A308 HydrophobicContact CB-CB 4.42Å; V262-A308 HydrophobicContact CG1-CB 4.37Å; H263-A308 HydrophobicContact CB-CB 4.11Å; C304-A308 WeakPolarHBondContact O-CB 3.37Å; C304-A308 PolarHBondContact O-N 3.4Å; A308-L311 PolarHBondContact O-N 3.19Å; A308-M312 WeakPolarHBondContact O-CG 3.38Å; A308-M312 PolarHBondContact O-N 3Å
309	R	98.9	Very high	98.6	Very high	126 Å²	126	41.1 Å²	41.1	48%	0.475	21%	0.208	S	C	.	.	H	α-helix	trans	-65.9	-40	172.7	-168.3	-173.7	-59.6	106.4	-2.4	112.7	C305 S306 L307 L311 M312 T313	C305-R309 WeakPolarHBondContact O-CB 3.12Å; C305-R309 PolarHBondContact O-N 3.5Å; C305-R309 VanDerWaalsContact O-N 3.16Å; S306-R309 PolarHBondContact O-N 3.43Å; L307-R309 PolarHBondContact O-N 3.17Å; R309-L311 VanDerWaalsContact C-N 3.33Å; R309-M312 HydrophobicContact CB-CE 4.37Å; R309-M312 PolarHBondContact O-N 3.04Å; R309-T313 PolarHBondContact O-N 3.44Å; R309-T313 VanDerWaalsContact O-N 3.09Å; R309-T313 PolarHBondContact O-OG1 3.46Å
310	H	98.9	Very high	98.7	Very high	65 Å²	65	43.3 Å²	43.3	30%	0.301	22%	0.217	S	C	.	.	H	α-helix	trans	-61	-46	172.7	-170.8	54.2	0	0	0	110.4	S306 L307 M312 T313 L314 E343	S306-H310 PolarHBondContact O-N 3.4Å; L307-H310 WeakPolarHBondContact O-CB 3.41Å; L307-H310 PolarHBondContact O-N 3.27Å; H310-M312 VanDerWaalsContact C-N 3.33Å; H310-M312 PolarHBondContact O-N 3.45Å; H310-T313 WeakPolarHBondContact O-CA 3.36Å; H310-T313 WeakPolarHBondContact O-CB 3.23Å; H310-T313 PolarHBondContact O-N 3.33Å; H310-L314 WeakPolarHBondContact O-CG 3.38Å; H310-L314 PolarHBondContact O-N 2.97Å; H310-E343 IonicContact CD2-OE2 2.73Å; H310-E343 IonicContact CE1-OE2 3.47Å; H310-E343 IonicContact NE2-OE2 3.54Å; H310-E343 PolarHBondContact NE2-OE2 3.46Å
311	L	98.8	Very high	98.8	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-59.5	-40.9	178.9	-163.5	58.6	0	0	0	113	L255 L307 A308 R309 T313 A344 T347 A348 I351	L255-L311 HydrophobicContact CB-CD1 4.01Å; L255-L311 HydrophobicContact CB-CD2 4.32Å; L255-L311 HydrophobicContact CB-CG 4.22Å; L255-L311 WeakPolarHBondContact O-CD2 3.35Å; L255-L311 WeakPolarHBondContact O-CG 3.47Å; L307-L311 PolarHBondContact O-N 3.36Å; A308-L311 PolarHBondContact O-N 3.19Å; R309-L311 VanDerWaalsContact C-N 3.33Å; L311-T313 VanDerWaalsContact C-N 3.32Å; L311-A344 HydrophobicContact CD1-CB 3.84Å; L311-A344 WeakPolarHBondContact CD1-O 3.39Å; L311-T347 HydrophobicContact CB-CG2 3.96Å; L311-T347 HydrophobicContact CD1-CG2 4.42Å; L311-A348 HydrophobicContact CD2-CB 3.97Å; L311-I351 HydrophobicContact CD2-CD1 3.73Å
312	M	98.9	Very high	98.8	Very high	60 Å²	60	44.8 Å²	44.8	30%	0.296	23%	0.23	S	C	.	.	H	α-helix	trans	-64.4	-35.2	172.3	-73.4	-173.4	-70	0	0	112.8	A256 A260 H263 A308 R309 H310 V315	A256-M312 WeakPolarHBondContact O-CG 3.33Å; A260-M312 VanDerWaalsContact CA-SD 3.58Å; A260-M312 HydrophobicContact CB-CG 4.47Å; A260-M312 HydrophobicContact CB-SD 3.74Å; H263-M312 HydrophobicContact CB-CE 4.2Å; A308-M312 WeakPolarHBondContact O-CG 3.38Å; A308-M312 PolarHBondContact O-N 3Å; R309-M312 HydrophobicContact CB-CE 4.37Å; R309-M312 PolarHBondContact O-N 3.04Å; H310-M312 VanDerWaalsContact C-N 3.33Å; H310-M312 PolarHBondContact O-N 3.45Å; M312-V315 VanDerWaalsContact O-CG1 3.3Å; M312-V315 WeakPolarHBondContact O-CG1 3.41Å
313	T	98.9	Very high	98.8	Very high	87 Å²	87	45.2 Å²	45.2	53%	0.534	24%	0.242	S	C	.	.	H	α-helix	trans	-72	-38.7	-177.2	-56.4	0	0	0	0	111.7	R309 H310 L311 V315 M316	R309-T313 PolarHBondContact O-N 3.44Å; R309-T313 VanDerWaalsContact O-N 3.09Å; R309-T313 PolarHBondContact O-OG1 3.46Å; H310-T313 WeakPolarHBondContact O-CA 3.36Å; H310-T313 WeakPolarHBondContact O-CB 3.23Å; H310-T313 PolarHBondContact O-N 3.33Å; L311-T313 VanDerWaalsContact C-N 3.32Å; T313-V315 PolarHBondContact O-N 3.04Å; T313-V315 VanDerWaalsContact O-N 3.08Å; T313-M316 PolarHBondContact O-N 2.94Å
314	L	98.8	Very high	98.8	Very high	10 Å²	10	47 Å²	47	5%	0.052	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.7	-176.7	-73.7	174.1	0	0	0	114.3	H310 M316 D317 P318 C340 E343 A344	H310-L314 WeakPolarHBondContact O-CG 3.38Å; H310-L314 PolarHBondContact O-N 2.97Å; L314-M316 PolarHBondContact O-N 2.86Å; L314-M316 VanDerWaalsContact O-N 3.15Å; L314-D317 WeakPolarHBondContact O-CB 3.04Å; L314-D317 PolarHBondContact O-N 2.97Å; L314-D317 VanDerWaalsContact O-N 3.16Å; L314-P318 VanDerWaalsContact O-CD 3.23Å; L314-P318 WeakPolarHBondContact O-CD 3.35Å; L314-C340 HydrophobicContact CD2-CB 4.27Å; L314-E343 HydrophobicContact CD1-CB 4.08Å; L314-A344 HydrophobicContact CD1-CB 3.97Å
315	V	98.7	Very high	98.8	Very high	26 Å²	26	49 Å²	49	16%	0.158	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.2	178.8	75	0	0	0	0	113.1	A256 M312 T313 D317 P318 L319	A256-V315 HydrophobicContact CB-CB 3.89Å; A256-V315 HydrophobicContact CB-CG1 4.48Å; A256-V315 HydrophobicContact CB-CG2 4.26Å; M312-V315 VanDerWaalsContact O-CG1 3.3Å; M312-V315 WeakPolarHBondContact O-CG1 3.41Å; T313-V315 PolarHBondContact O-N 3.04Å; T313-V315 VanDerWaalsContact O-N 3.08Å; V315-D317 VanDerWaalsContact C-N 3.27Å; V315-D317 PolarHBondContact O-N 3.49Å; V315-P318 VanDerWaalsContact O-CD 3.29Å; V315-P318 WeakPolarHBondContact O-CD 3.32Å; V315-P318 WeakPolarHBondContact O-CG 3.43Å; V315-L319 HydrophobicContact CG2-CD1 4.2Å; V315-L319 WeakPolarHBondContact O-CD1 3.41Å; V315-L319 WeakPolarHBondContact O-CG 3.29Å; V315-L319 PolarHBondContact O-N 2.83Å
316	M	98.9	Very high	98.8	Very high	100 Å²	100	57.3 Å²	57.3	49%	0.493	30%	0.296	S	S	.	.	H	α-helix	trans	-69.5	-25.9	-179.3	-65	-53.9	-58.5	0	0	112.7	T313 L314 L319 Q320	T313-M316 PolarHBondContact O-N 2.94Å; L314-M316 PolarHBondContact O-N 2.86Å; L314-M316 VanDerWaalsContact O-N 3.15Å; M316-L319 HydrophobicContact SD-CD1 3.97Å; M316-Q320 WeakPolarHBondContact O-CB 3.34Å; M316-Q320 VanDerWaalsContact O-CG 3.26Å; M316-Q320 WeakPolarHBondContact O-CG 3.49Å; M316-Q320 PolarHBondContact O-N 3.25Å; M316-Q320 PolarHBondContact O-NE2 3.24Å
317	D	98.9	Very high	98.8	Very high	44 Å²	44	63.4 Å²	63.4	24%	0.235	32%	0.315	C	S	.	.	H	α-helix	trans	-62.6	-58.1	179.5	-84	-30.9	0	0	0	112.9	L314 V315 L319 Q320 T321 N336 C340	L314-D317 WeakPolarHBondContact O-CB 3.04Å; L314-D317 PolarHBondContact O-N 2.97Å; L314-D317 VanDerWaalsContact O-N 3.16Å; V315-D317 VanDerWaalsContact C-N 3.27Å; V315-D317 PolarHBondContact O-N 3.49Å; D317-L319 VanDerWaalsContact C-N 3.31Å; D317-L319 PolarHBondContact O-N 3.42Å; D317-Q320 PolarHBondContact O-N 2.98Å; D317-T321 VanDerWaalsContact O-CB 3.28Å; D317-T321 WeakPolarHBondContact O-CB 3.45Å; D317-T321 PolarHBondContact O-N 3.06Å; D317-T321 PolarHBondContact O-OG1 2.87Å; D317-N336 WeakPolarHBondContact CB-OD1 3.49Å; D317-N336 VanDerWaalsContact CG-ND2 3.3Å; D317-N336 PolarHBondContact OD1-ND2 3.01Å; D317-C340 HydrophobicContact CB-CB 3.81Å; D317-C340 WeakPolarHBondContact OD2-CB 3.47Å
318	P	98.8	Very high	98.8	Very high	4 Å²	4	67.4 Å²	67.4	3%	0.026	33%	0.333	C	S	.	.	H	α-helix	trans	-69	-28.4	178.3	29.2	-37.9	0	0	0	112.6	D248 I249 L252 L314 V315 A322	D248-P318 HydrophobicContact CB-CB 3.94Å; I249-P318 HydrophobicContact CG1-CB 3.92Å; I249-P318 HydrophobicContact CG1-CG 4.49Å; I249-P318 WeakPolarHBondContact CG1-O 3.26Å; L252-P318 HydrophobicContact CB-CG 3.87Å; L252-P318 HydrophobicContact CD2-CG 3.71Å; L252-P318 HydrophobicContact CG-CG 4.4Å; L314-P318 VanDerWaalsContact O-CD 3.23Å; L314-P318 WeakPolarHBondContact O-CD 3.35Å; V315-P318 VanDerWaalsContact O-CD 3.29Å; V315-P318 WeakPolarHBondContact O-CD 3.32Å; V315-P318 WeakPolarHBondContact O-CG 3.43Å; P318-A322 WeakPolarHBondContact O-CB 3.32Å; P318-A322 PolarHBondContact O-N 2.95Å
319	L	98.8	Very high	98.7	Very high	70 Å²	70	69.5 Å²	69.5	37%	0.366	34%	0.341	S	S	.	.	H	α-helix	trans	-60.9	-50.7	173.9	-79	170.3	0	0	0	111.2	I249 V315 M316 D317 S323	I249-L319 HydrophobicContact CD1-CD2 4.05Å; I249-L319 HydrophobicContact CG1-CD2 4.28Å; I249-L319 HydrophobicContact CG2-CD2 3.83Å; I249-L319 HydrophobicContact CG2-CG 4.4Å; V315-L319 HydrophobicContact CG2-CD1 4.2Å; V315-L319 WeakPolarHBondContact O-CD1 3.41Å; V315-L319 WeakPolarHBondContact O-CG 3.29Å; V315-L319 PolarHBondContact O-N 2.83Å; M316-L319 HydrophobicContact SD-CD1 3.97Å; D317-L319 VanDerWaalsContact C-N 3.31Å; D317-L319 PolarHBondContact O-N 3.42Å; L319-S323 WeakPolarHBondContact O-CB 3.06Å; L319-S323 PolarHBondContact O-N 3.37Å
320	Q	98.9	Very high	98.7	Very high	109 Å²	109	64.8 Å²	64.8	51%	0.509	33%	0.326	S	S	.	.	H	α-helix	trans	-65.4	-49	176.7	-70.9	170.5	98.7	0	0	110.7	M316 D317 A322 S323 V324	M316-Q320 WeakPolarHBondContact O-CB 3.34Å; M316-Q320 VanDerWaalsContact O-CG 3.26Å; M316-Q320 WeakPolarHBondContact O-CG 3.49Å; M316-Q320 PolarHBondContact O-N 3.25Å; M316-Q320 PolarHBondContact O-NE2 3.24Å; D317-Q320 PolarHBondContact O-N 2.98Å; Q320-A322 PolarHBondContact O-N 2.66Å; Q320-S323 PolarHBondContact O-N 3.13Å; Q320-S323 VanDerWaalsContact O-N 3.15Å; Q320-S323 PolarHBondContact O-OG 2.81Å; Q320-V324 PolarHBondContact O-N 3.24Å
321	T	98.8	Very high	98.7	Very high	12 Å²	12	67.6 Å²	67.6	7%	0.074	34%	0.343	C	S	.	.	H	α-helix	trans	-56.4	-50.4	-177.4	-61.6	0	0	0	0	112.2	D317 S323 V324 Q325 D333 N336	D317-T321 VanDerWaalsContact O-CB 3.28Å; D317-T321 WeakPolarHBondContact O-CB 3.45Å; D317-T321 PolarHBondContact O-N 3.06Å; D317-T321 PolarHBondContact O-OG1 2.87Å; T321-S323 VanDerWaalsContact C-N 3.28Å; T321-S323 PolarHBondContact O-N 2.98Å; T321-V324 PolarHBondContact O-N 3.33Å; T321-Q325 PolarHBondContact O-N 3.11Å; T321-D333 HydrophobicContact CG2-CB 3.64Å; T321-N336 PolarHBondContact OG1-OD1 2.94Å
322	A	98.8	Very high	98.7	Very high	27 Å²	27	71.5 Å²	71.5	22%	0.223	36%	0.364	C	S	.	.	H	α-helix	trans	-68.5	-29	-178.2	0	0	0	0	0	112.7	R245 I249 P318 Q320 V324	R245-A322 HydrophobicContact CB-CB 3.92Å; I249-A322 HydrophobicContact CD1-CB 3.62Å; I249-A322 HydrophobicContact CG1-CB 4.3Å; P318-A322 WeakPolarHBondContact O-CB 3.32Å; P318-A322 PolarHBondContact O-N 2.95Å; Q320-A322 PolarHBondContact O-N 2.66Å; A322-V324 VanDerWaalsContact C-N 3.27Å; A322-V324 PolarHBondContact O-N 3.42Å
323	S	98.8	Very high	98.6	Very high	94 Å²	94	68.7 Å²	68.7	66%	0.657	35%	0.35	S	S	*	.	H	α-helix	trans	-70.1	-22.3	-178.6	74.8	0	0	0	0	114	L319 Q320 T321	L319-S323 WeakPolarHBondContact O-CB 3.06Å; L319-S323 PolarHBondContact O-N 3.37Å; Q320-S323 PolarHBondContact O-N 3.13Å; Q320-S323 VanDerWaalsContact O-N 3.15Å; Q320-S323 PolarHBondContact O-OG 2.81Å; T321-S323 VanDerWaalsContact C-N 3.28Å; T321-S323 PolarHBondContact O-N 2.98Å
324	V	98.7	Very high	98.6	Very high	64 Å²	64	65.7 Å²	65.7	39%	0.388	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	9.5	-176.4	-58.2	0	0	0	0	113.5	Q320 T321 A322 W326 D332	Q320-V324 PolarHBondContact O-N 3.24Å; T321-V324 PolarHBondContact O-N 3.33Å; A322-V324 VanDerWaalsContact C-N 3.27Å; A322-V324 PolarHBondContact O-N 3.42Å; V324-W326 PolarHBondContact O-N 2.99Å; V324-W326 PolarHBondContact O-NE1 2.8Å; V324-W326 VanDerWaalsContact O-NE1 3.16Å; V324-D332 WeakPolarHBondContact CG2-OD2 3.38Å
325	Q	98.7	Very high	98.6	Very high	41 Å²	41	68.5 Å²	68.5	19%	0.192	36%	0.357	C	S	.	.			trans	-65.6	115.2	170	-81.9	-68.5	-61.2	0	0	110.2	R245 T321 T330 D332	R245-Q325 HydrophobicContact CG-CG 4.18Å; T321-Q325 PolarHBondContact O-N 3.11Å; Q325-T330 PolarHBondContact NE2-O 3.29Å; Q325-T330 PolarHBondContact NE2-OG1 2.75Å; Q325-T330 VanDerWaalsContact NE2-OG1 3.15Å; Q325-T330 PolarHBondContact OE1-O 3.28Å; Q325-D332 PolarHBondContact NE2-OD1 3.47Å
326	W	98.3	Very high	98.6	Very high	178 Å²	178	69.2 Å²	69.2	67%	0.674	36%	0.36	S	S	*	.			trans	-89	130.6	180	-51.2	-25.6	0	0	0	111.5	V324 E328 R329 T330	V324-W326 PolarHBondContact O-N 2.99Å; V324-W326 PolarHBondContact O-NE1 2.8Å; V324-W326 VanDerWaalsContact O-NE1 3.16Å; W326-E328 PolarHBondContact O-N 3.27Å; W326-R329 CarbonylContact O-C 3.04Å; W326-R329 PolarHBondContact O-N 2.68Å; W326-T330 HydrophobicContact CB-CG2 3.67Å; W326-T330 HydrophobicContact CD2-CG2 3.97Å; W326-T330 HydrophobicContact CE3-CG2 3.75Å; W326-T330 HydrophobicContact CG-CG2 3.98Å; W326-T330 PolarHBondContact N-OG1 2.75Å
327	F	98.3	Very high	98.6	Very high	195 Å²	195	65.1 Å²	65.1	86%	0.855	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	-126.1	176.1	-56.1	-73.3	0	0	0	113
328	E	98.5	Very high	98.6	Very high	102 Å²	102	69.3 Å²	69.3	48%	0.477	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-23.1	-175	-71.8	67.2	-136.6	0	0	114.5	T202 G240 Q241 W326	T202-E328 HydrophobicContact CG2-CG 4.5Å; G240-E328 WeakPolarHBondContact CA-O 3.26Å; Q241-E328 PolarHBondContact N-O 3.03Å; W326-E328 PolarHBondContact O-N 3.27Å
329	R	98.6	Very high	98.6	Very high	43 Å²	43	73.6 Å²	73.6	16%	0.162	37%	0.373	C	S	.	.			trans	174.3	144.5	170.7	179.1	-167.1	-178.8	129.5	3.1	111.2	C113 D117 Q241 T242 W326 D333	C113-R329 PolarHBondContact SG-NH1 2.99Å; D117-R329 IonicContact OD1-NH1 3.34Å; Q241-R329 HydrophobicContact CB-CB 3.7Å; Q241-R329 HydrophobicContact CB-CG 4.48Å; T242-R329 HydrophobicContact CG2-CB 4.16Å; T242-R329 HydrophobicContact CG2-CG 3.69Å; W326-R329 CarbonylContact O-C 3.04Å; W326-R329 PolarHBondContact O-N 2.68Å; R329-D333 IonicContact CZ-OD1 3.45Å; R329-D333 IonicContact CZ-OD2 3.69Å; R329-D333 IonicContact NE-OD1 2.71Å; R329-D333 VanDerWaalsContact NH2-CG 3.28Å; R329-D333 IonicContact NH2-OD1 2.86Å; R329-D333 PolarHBondContact NH2-OD1 2.66Å; R329-D333 IonicContact NH2-OD2 3.68Å; R329-D333 PolarHBondContact NH2-OD2 3.15Å
330	T	98.3	Very high	98.6	Very high	28 Å²	28	70.2 Å²	70.2	17%	0.172	36%	0.356	C	S	.	.			trans	-117.8	150.1	155.7	47.5	0	0	0	0	111.6	Q325 W326 D332 D333	Q325-T330 PolarHBondContact NE2-O 3.29Å; Q325-T330 PolarHBondContact NE2-OG1 2.75Å; Q325-T330 VanDerWaalsContact NE2-OG1 3.15Å; Q325-T330 PolarHBondContact OE1-O 3.28Å; W326-T330 HydrophobicContact CB-CG2 3.67Å; W326-T330 HydrophobicContact CD2-CG2 3.97Å; W326-T330 HydrophobicContact CE3-CG2 3.75Å; W326-T330 HydrophobicContact CG-CG2 3.98Å; W326-T330 PolarHBondContact N-OG1 2.75Å; T330-D332 VanDerWaalsContact C-N 3.32Å; T330-D332 VanDerWaalsContact C-OD1 3.31Å; T330-D332 WeakPolarHBondContact CB-OD1 3.41Å; T330-D332 PolarHBondContact O-N 3.49Å; T330-D332 PolarHBondContact OG1-OD1 2.73Å; T330-D333 VanDerWaalsContact O-OD1 3.05Å
331	L	98.2	Very high	98.6	Very high	123 Å²	123	65.5 Å²	65.5	64%	0.644	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-1.6	-171.1	-155.6	75	0	0	0	114.2	D333 S334	L331-D333 WeakPolarHBondContact CA-OD1 3.25Å; L331-D333 PolarHBondContact O-N 2.94Å; L331-S334 WeakPolarHBondContact O-CB 3.42Å; L331-S334 PolarHBondContact O-N 2.88Å
332	D	98.4	Very high	98.6	Very high	85 Å²	85	65.8 Å²	65.8	46%	0.455	34%	0.338	S	S	.	.	H	α-helix	trans	-62.3	-16.8	176	61.9	-50.7	0	0	0	112.9	V324 Q325 T330 S334	V324-D332 WeakPolarHBondContact CG2-OD2 3.38Å; Q325-D332 PolarHBondContact NE2-OD1 3.47Å; T330-D332 VanDerWaalsContact C-N 3.32Å; T330-D332 VanDerWaalsContact C-OD1 3.31Å; T330-D332 WeakPolarHBondContact CB-OD1 3.41Å; T330-D332 PolarHBondContact O-N 3.49Å; T330-D332 PolarHBondContact OG1-OD1 2.73Å; D332-S334 VanDerWaalsContact C-N 3.35Å
333	D	98.7	Very high	98.6	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-66.5	-31.9	169.5	72.9	-37.3	0	0	0	113.7	R245 T321 R329 T330 L331 A335 N336 R337	R245-D333 IonicContact CZ-OD2 2.92Å; R245-D333 IonicContact NE-OD2 3.56Å; R245-D333 PolarHBondContact NE-OD2 3.44Å; R245-D333 IonicContact NH2-OD2 3.48Å; R245-D333 PolarHBondContact NH2-OD2 2.69Å; T321-D333 HydrophobicContact CG2-CB 3.64Å; R329-D333 IonicContact CZ-OD1 3.45Å; R329-D333 IonicContact CZ-OD2 3.69Å; R329-D333 IonicContact NE-OD1 2.71Å; R329-D333 VanDerWaalsContact NH2-CG 3.28Å; R329-D333 IonicContact NH2-OD1 2.86Å; R329-D333 PolarHBondContact NH2-OD1 2.66Å; R329-D333 IonicContact NH2-OD2 3.68Å; R329-D333 PolarHBondContact NH2-OD2 3.15Å; T330-D333 VanDerWaalsContact O-OD1 3.05Å; L331-D333 WeakPolarHBondContact CA-OD1 3.25Å; L331-D333 PolarHBondContact O-N 2.94Å; D333-A335 PolarHBondContact O-N 3.18Å; D333-N336 PolarHBondContact O-N 3.47Å; D333-R337 VanDerWaalsContact O-CB 3.32Å; D333-R337 WeakPolarHBondContact O-CB 3.28Å; D333-R337 WeakPolarHBondContact O-CD 3.36Å; D333-R337 WeakPolarHBondContact O-CG 3.31Å; D333-R337 PolarHBondContact O-N 3.27Å
334	S	98.4	Very high	98.6	Very high	25 Å²	25	62.2 Å²	62.2	18%	0.175	31%	0.306	C	S	.	.	H	α-helix	trans	-65.7	-49.3	-161.7	-170.8	0	0	0	0	112.7	L331 D332 R338	L331-S334 WeakPolarHBondContact O-CB 3.42Å; L331-S334 PolarHBondContact O-N 2.88Å; D332-S334 VanDerWaalsContact C-N 3.35Å; S334-R338 VanDerWaalsContact O-CG 3.24Å; S334-R338 WeakPolarHBondContact O-CG 3.37Å; S334-R338 PolarHBondContact O-N 3.44Å; S334-R338 PolarHBondContact OG-NE 3.4Å
335	A	98.5	Very high	98.6	Very high	69 Å²	69	59.2 Å²	59.2	57%	0.57	29%	0.288	S	S	*	.	H	α-helix	trans	-68.7	-41.8	-178.1	0	0	0	0	0	111.7	D333 R338	D333-A335 PolarHBondContact O-N 3.18Å; A335-R338 PolarHBondContact O-N 2.82Å
336	N	98.8	Very high	98.6	Very high	40 Å²	40	58 Å²	58	21%	0.214	28%	0.283	C	S	.	.	H	α-helix	trans	-61.4	-49.5	178.4	-176.9	-85.8	0	0	0	111.2	D317 T321 D333 R338 I339 C340	D317-N336 WeakPolarHBondContact CB-OD1 3.49Å; D317-N336 VanDerWaalsContact CG-ND2 3.3Å; D317-N336 PolarHBondContact OD1-ND2 3.01Å; T321-N336 PolarHBondContact OG1-OD1 2.94Å; D333-N336 PolarHBondContact O-N 3.47Å; N336-R338 VanDerWaalsContact C-N 3.29Å; N336-R338 PolarHBondContact O-N 3.39Å; N336-I339 PolarHBondContact O-N 3.12Å; N336-C340 PolarHBondContact O-N 3.41Å; N336-C340 PolarHBondContact O-SG 3.5Å; N336-C340 VanDerWaalsContact O-SG 3.35Å; N336-C340 PolarHBondContact OD1-SG 3.37Å
337	R	98.8	Very high	98.6	Very high	15 Å²	15	49.5 Å²	49.5	6%	0.057	25%	0.251	C	S	.	.	H	α-helix	trans	-62.7	-30.8	-179.2	-70.3	171.1	68	-98.9	-5.1	113.7	D120 Y243 D248 D333 I339 L341	D120-R337 IonicContact OD2-CZ 3.48Å; D120-R337 IonicContact OD2-NH1 3.54Å; D120-R337 PolarHBondContact OD2-NH1 3.34Å; D120-R337 IonicContact OD2-NH2 2.74Å; D120-R337 PolarHBondContact OD2-NH2 2.9Å; Y243-R337 PolarHBondContact OH-NH2 2.79Å; D248-R337 WeakPolarHBondContact OD2-CD 3.46Å; D248-R337 IonicContact OD2-CZ 2.75Å; D248-R337 IonicContact OD2-NE 2.83Å; D248-R337 PolarHBondContact OD2-NE 3Å; D333-R337 VanDerWaalsContact O-CB 3.32Å; D333-R337 WeakPolarHBondContact O-CB 3.28Å; D333-R337 WeakPolarHBondContact O-CD 3.36Å; D333-R337 WeakPolarHBondContact O-CG 3.31Å; D333-R337 PolarHBondContact O-N 3.27Å; R337-I339 PolarHBondContact O-N 3.45Å; R337-L341 HydrophobicContact CB-CD1 3.96Å; R337-L341 HydrophobicContact CB-CG 4.25Å; R337-L341 HydrophobicContact CG-CD1 4.29Å; R337-L341 WeakPolarHBondContact O-CB 3.4Å; R337-L341 WeakPolarHBondContact O-CG 3.33Å; R337-L341 PolarHBondContact O-N 3Å
338	R	98.4	Very high	98.7	Very high	131 Å²	131	40.2 Å²	40.2	49%	0.494	21%	0.21	S	C	.	.	H	α-helix	trans	-63.7	-25.3	174.1	-73.2	168.6	-168.6	-103.8	3.9	112.6	D87 S334 A335 N336	D87-R338 IonicContact OD2-CZ 3.49Å; D87-R338 IonicContact OD2-NH1 2.82Å; D87-R338 IonicContact OD2-NH2 2.91Å; D87-R338 PolarHBondContact OD2-NH2 3.12Å; S334-R338 VanDerWaalsContact O-CG 3.24Å; S334-R338 WeakPolarHBondContact O-CG 3.37Å; S334-R338 PolarHBondContact O-N 3.44Å; S334-R338 PolarHBondContact OG-NE 3.4Å; A335-R338 PolarHBondContact O-N 2.82Å; N336-R338 VanDerWaalsContact C-N 3.29Å; N336-R338 PolarHBondContact O-N 3.39Å
339	I	98.8	Very high	98.7	Very high	94 Å²	94	35.4 Å²	35.4	48%	0.482	19%	0.187	S	C	.	.	H	α-helix	trans	-94.9	-64.3	178.2	-58.6	167.6	0	0	0	109.6	N336 R337 L341 A342 E343	N336-I339 PolarHBondContact O-N 3.12Å; R337-I339 PolarHBondContact O-N 3.45Å; I339-L341 PolarHBondContact O-N 3.47Å; I339-A342 PolarHBondContact O-N 2.65Å; I339-E343 HydrophobicContact CG2-CG 4.19Å; I339-E343 WeakPolarHBondContact O-CB 3.19Å; I339-E343 WeakPolarHBondContact O-CG 3.32Å; I339-E343 PolarHBondContact O-N 3.33Å
340	C	98.8	Very high	98.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.1	-36.7	-163.6	68.9	0	0	0	0	113.2	L252 L314 D317 N336 A344	L252-C340 HydrophobicContact CD2-CB 4.3Å; L314-C340 HydrophobicContact CD2-CB 4.27Å; D317-C340 HydrophobicContact CB-CB 3.81Å; D317-C340 WeakPolarHBondContact OD2-CB 3.47Å; N336-C340 PolarHBondContact O-N 3.41Å; N336-C340 PolarHBondContact O-SG 3.5Å; N336-C340 VanDerWaalsContact O-SG 3.35Å; N336-C340 PolarHBondContact OD1-SG 3.37Å; C340-A344 WeakPolarHBondContact O-CB 3.42Å; C340-A344 PolarHBondContact O-N 3.42Å
341	L	98.9	Very high	98.7	Very high	9 Å²	9	32.1 Å²	32.1	5%	0.047	17%	0.172	C	C	.	.	H	α-helix	trans	-67.5	-51.6	179.7	-57.5	-176.3	0	0	0	110.6	D248 L252 R337 I339 A344 F345	D248-L341 HydrophobicContact CB-CD2 4.17Å; L252-L341 HydrophobicContact CD1-CD2 3.66Å; L252-L341 HydrophobicContact CD2-CD2 4.3Å; R337-L341 HydrophobicContact CB-CD1 3.96Å; R337-L341 HydrophobicContact CB-CG 4.25Å; R337-L341 HydrophobicContact CG-CD1 4.29Å; R337-L341 WeakPolarHBondContact O-CB 3.4Å; R337-L341 WeakPolarHBondContact O-CG 3.33Å; R337-L341 PolarHBondContact O-N 3Å; I339-L341 PolarHBondContact O-N 3.47Å; L341-A344 PolarHBondContact O-N 2.8Å; L341-F345 WeakPolarHBondContact O-CD2 3.37Å; L341-F345 PolarHBondContact O-N 2.83Å
342	A	98.8	Very high	98.7	Very high	19 Å²	19	26.2 Å²	26.2	16%	0.157	14%	0.141	C	C	.	.	H	α-helix	trans	-62.4	-47.7	179.3	0	0	0	0	0	111.6	F30 I339 A344 F345 L346	F30-A342 HydrophobicContact CB-CB 4.2Å; F30-A342 HydrophobicContact CD1-CB 3.46Å; F30-A342 VanDerWaalsContact CD1-CB 3.46Å; F30-A342 HydrophobicContact CE1-CB 3.94Å; F30-A342 HydrophobicContact CG-CB 3.84Å; I339-A342 PolarHBondContact O-N 2.65Å; A342-A344 VanDerWaalsContact C-N 3.32Å; A342-A344 PolarHBondContact O-N 2.77Å; A342-F345 PolarHBondContact O-N 3.32Å; A342-L346 WeakPolarHBondContact O-CB 3.34Å; A342-L346 WeakPolarHBondContact O-CD1 3.49Å; A342-L346 WeakPolarHBondContact O-CG 3.27Å; A342-L346 PolarHBondContact O-N 3.17Å
343	E	98.9	Very high	98.7	Very high	45 Å²	45	23.6 Å²	23.6	21%	0.21	13%	0.127	C	C	.	.	H	α-helix	trans	-62.7	-38.1	-179.5	-69.9	-160.8	173.6	0	0	112.6	L17 H310 L314 I339 T347	L17-E343 HydrophobicContact CD1-CB 3.8Å; L17-E343 HydrophobicContact CD1-CG 3.72Å; H310-E343 IonicContact CD2-OE2 2.73Å; H310-E343 IonicContact CE1-OE2 3.47Å; H310-E343 IonicContact NE2-OE2 3.54Å; H310-E343 PolarHBondContact NE2-OE2 3.46Å; L314-E343 HydrophobicContact CD1-CB 4.08Å; I339-E343 HydrophobicContact CG2-CG 4.19Å; I339-E343 WeakPolarHBondContact O-CB 3.19Å; I339-E343 WeakPolarHBondContact O-CG 3.32Å; I339-E343 PolarHBondContact O-N 3.33Å; E343-T347 WeakPolarHBondContact O-CB 3.43Å; E343-T347 PolarHBondContact O-N 3.41Å; E343-T347 PolarHBondContact O-OG1 2.56Å
344	A	98.9	Very high	98.7	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-61	-48.6	177.5	0	0	0	0	0	111.4	L252 L255 L311 L314 C340 L341 A342 T347 A348	L252-A344 HydrophobicContact CD1-CB 3.97Å; L252-A344 HydrophobicContact CD2-CB 4.32Å; L252-A344 HydrophobicContact CG-CB 3.89Å; L255-A344 HydrophobicContact CD1-CB 3.94Å; L311-A344 HydrophobicContact CD1-CB 3.84Å; L311-A344 WeakPolarHBondContact CD1-O 3.39Å; L314-A344 HydrophobicContact CD1-CB 3.97Å; C340-A344 WeakPolarHBondContact O-CB 3.42Å; C340-A344 PolarHBondContact O-N 3.42Å; L341-A344 PolarHBondContact O-N 2.8Å; A342-A344 VanDerWaalsContact C-N 3.32Å; A342-A344 PolarHBondContact O-N 2.77Å; A344-T347 PolarHBondContact O-N 2.98Å; A344-A348 WeakPolarHBondContact O-CB 3.46Å; A344-A348 PolarHBondContact O-N 3.03Å
345	F	98.9	Very high	98.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-69.4	-41.8	179.8	-82.3	-84.3	0	0	0	113.1	M26 F30 L124 A127 L128 L131 V251 L255 L341 A342 T347 A348 D349	M26-F345 HydrophobicContact SD-CB 4Å; F30-F345 HydrophobicContact CE2-CB 3.43Å; F30-F345 VanDerWaalsContact CE2-CB 3.43Å; F30-F345 HydrophobicContact CE2-CD2 4.31Å; F30-F345 AromaticContact CE2-CG 3.98Å; F30-F345 HydrophobicContact CE2-CG 3.98Å; F30-F345 HydrophobicContact CZ-CB 3.68Å; F30-F345 AromaticContact CZ-CD2 3.69Å; F30-F345 HydrophobicContact CZ-CD2 3.69Å; F30-F345 AromaticContact CZ-CG 3.84Å; F30-F345 HydrophobicContact CZ-CG 3.84Å; L124-F345 HydrophobicContact CD2-CD2 4.23Å; L124-F345 HydrophobicContact CD2-CE2 3.42Å; L124-F345 VanDerWaalsContact CD2-CE2 3.42Å; L124-F345 HydrophobicContact CD2-CZ 4.06Å; A127-F345 HydrophobicContact CB-CB 4.31Å; A127-F345 HydrophobicContact CB-CD1 3.28Å; A127-F345 HydrophobicContact CB-CD2 4.33Å; A127-F345 HydrophobicContact CB-CE1 3.53Å; A127-F345 HydrophobicContact CB-CG 3.72Å; A127-F345 HydrophobicContact CB-CZ 4.16Å; L128-F345 HydrophobicContact CD2-CE1 3.95Å; L128-F345 HydrophobicContact CD2-CZ 4.15Å; L128-F345 HydrophobicContact CG-CE1 3.87Å; L128-F345 HydrophobicContact CG-CZ 3.97Å; L131-F345 HydrophobicContact CD1-CD1 3.55Å; L131-F345 HydrophobicContact CD1-CE1 3.83Å; L131-F345 HydrophobicContact CG-CD1 4.19Å; V251-F345 HydrophobicContact CG1-CE2 3.58Å; V251-F345 HydrophobicContact CG1-CZ 3.5Å; V251-F345 VanDerWaalsContact CG1-CZ 3.5Å; L255-F345 HydrophobicContact CD1-CD1 4.33Å; L255-F345 HydrophobicContact CD1-CD2 4.11Å; L255-F345 HydrophobicContact CD1-CE1 4.25Å; L255-F345 HydrophobicContact CD1-CE2 4.01Å; L255-F345 HydrophobicContact CD1-CG 4.27Å; L255-F345 HydrophobicContact CD1-CZ 4.11Å; L341-F345 WeakPolarHBondContact O-CD2 3.37Å; L341-F345 PolarHBondContact O-N 2.83Å; A342-F345 PolarHBondContact O-N 3.32Å; F345-T347 VanDerWaalsContact C-N 3.29Å; F345-T347 PolarHBondContact O-N 2.8Å; F345-A348 PolarHBondContact O-N 2.77Å; F345-D349 VanDerWaalsContact O-CB 3.25Å; F345-D349 WeakPolarHBondContact O-CB 3.35Å; F345-D349 PolarHBondContact O-N 2.9Å
346	L	98.8	Very high	98.8	Very high	16 Å²	16	19.3 Å²	19.3	8%	0.084	9%	0.093	C	C	.	.	H	α-helix	trans	-62.7	-37.6	175.8	-67.5	165.8	0	0	0	111.7	L17 A22 M26 A342 T350	L17-L346 HydrophobicContact CB-CB 4.05Å; L17-L346 HydrophobicContact CB-CD1 4.19Å; L17-L346 HydrophobicContact CD1-CB 4.27Å; L17-L346 HydrophobicContact CD2-CB 4.49Å; A22-L346 HydrophobicContact CB-CB 3.94Å; A22-L346 HydrophobicContact CB-CD2 3.44Å; A22-L346 VanDerWaalsContact CB-CD2 3.44Å; A22-L346 HydrophobicContact CB-CG 4.3Å; M26-L346 HydrophobicContact CB-CD2 4.2Å; M26-L346 HydrophobicContact CG-CD2 3.77Å; M26-L346 HydrophobicContact CG-CG 4.4Å; A342-L346 WeakPolarHBondContact O-CB 3.34Å; A342-L346 WeakPolarHBondContact O-CD1 3.49Å; A342-L346 WeakPolarHBondContact O-CG 3.27Å; A342-L346 PolarHBondContact O-N 3.17Å; L346-T350 PolarHBondContact O-N 3.31Å; L346-T350 VanDerWaalsContact O-N 3.13Å; L346-T350 PolarHBondContact O-OG1 3.26Å
347	T	98.9	Very high	98.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-67.2	-48.8	175.3	-59.2	0	0	0	0	110.7	L17 L307 L311 E343 A344 F345 D349 T350 I351	L17-T347 WeakPolarHBondContact CD2-OG1 3.44Å; L307-T347 HydrophobicContact CB-CG2 3.91Å; L307-T347 HydrophobicContact CD2-CG2 4.49Å; L307-T347 WeakPolarHBondContact O-CG2 3.37Å; L311-T347 HydrophobicContact CB-CG2 3.96Å; L311-T347 HydrophobicContact CD1-CG2 4.42Å; E343-T347 WeakPolarHBondContact O-CB 3.43Å; E343-T347 PolarHBondContact O-N 3.41Å; E343-T347 PolarHBondContact O-OG1 2.56Å; A344-T347 PolarHBondContact O-N 2.98Å; F345-T347 VanDerWaalsContact C-N 3.29Å; F345-T347 PolarHBondContact O-N 2.8Å; T347-D349 VanDerWaalsContact C-N 3.3Å; T347-D349 PolarHBondContact O-N 2.72Å; T347-T350 PolarHBondContact O-N 3Å; T347-I351 WeakPolarHBondContact O-CG2 3.22Å; T347-I351 PolarHBondContact O-N 2.74Å
348	A	98.9	Very high	98.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-58.3	-42.2	176.2	0	0	0	0	0	112	L131 L255 L311 A344 F345 T350 I351 L352	L131-A348 HydrophobicContact CD1-CB 3.73Å; L131-A348 HydrophobicContact CD2-CB 4.01Å; L255-A348 HydrophobicContact CD2-CB 4.08Å; L311-A348 HydrophobicContact CD2-CB 3.97Å; A344-A348 WeakPolarHBondContact O-CB 3.46Å; A344-A348 PolarHBondContact O-N 3.03Å; F345-A348 PolarHBondContact O-N 2.77Å; A348-T350 PolarHBondContact O-N 3.38Å; A348-I351 WeakPolarHBondContact O-CG1 3.07Å; A348-I351 PolarHBondContact O-N 3.33Å; A348-L352 WeakPolarHBondContact O-CB 3.48Å; A348-L352 VanDerWaalsContact O-CG 3.3Å; A348-L352 WeakPolarHBondContact O-CG 3.31Å; A348-L352 PolarHBondContact O-N 2.99Å
349	D	98.9	Very high	98.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-57.7	-48.4	176.9	-167.8	80.9	0	0	0	112.1	S23 M26 L131 K134 F345 T347 L352 N353	S23-D349 WeakPolarHBondContact CB-OD2 3.43Å; S23-D349 PolarHBondContact N-OD2 2.95Å; S23-D349 PolarHBondContact OG-OD2 3.4Å; M26-D349 HydrophobicContact CB-CB 4.09Å; M26-D349 HydrophobicContact CE-CB 4.05Å; M26-D349 WeakPolarHBondContact CE-OD1 3.21Å; M26-D349 HydrophobicContact CG-CB 3.92Å; L131-D349 HydrophobicContact CD2-CB 4.04Å; K134-D349 IonicContact NZ-OD1 3.85Å; K134-D349 PolarHBondContact NZ-OD1 2.94Å; K134-D349 IonicContact NZ-OD2 2.66Å; K134-D349 PolarHBondContact NZ-OD2 3.36Å; F345-D349 VanDerWaalsContact O-CB 3.25Å; F345-D349 WeakPolarHBondContact O-CB 3.35Å; F345-D349 PolarHBondContact O-N 2.9Å; T347-D349 VanDerWaalsContact C-N 3.3Å; T347-D349 PolarHBondContact O-N 2.72Å; D349-L352 PolarHBondContact O-N 3.37Å; D349-N353 WeakPolarHBondContact O-CB 3.42Å; D349-N353 PolarHBondContact O-N 2.74Å; D349-N353 PolarHBondContact OD2-ND2 3.23Å
350	T	98.7	Very high	98.6	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.012	5%	0.054	C	C	.	.	H	α-helix	trans	-64.4	-46.9	-179.4	-54.9	0	0	0	0	111.5	Y21 A22 L307 L346 T347 A348 L352 N353 T354	Y21-T350 VanDerWaalsContact C-OG1 3.28Å; Y21-T350 WeakPolarHBondContact CB-OG1 3.36Å; Y21-T350 HydrophobicContact CD1-CG2 4.3Å; Y21-T350 HydrophobicContact CG-CG2 4.16Å; Y21-T350 PolarHBondContact O-OG1 3.4Å; A22-T350 WeakPolarHBondContact CA-OG1 3.48Å; A22-T350 PolarHBondContact N-OG1 3.5Å; L307-T350 HydrophobicContact CD1-CG2 3.46Å; L307-T350 VanDerWaalsContact CD1-CG2 3.46Å; L346-T350 PolarHBondContact O-N 3.31Å; L346-T350 VanDerWaalsContact O-N 3.13Å; L346-T350 PolarHBondContact O-OG1 3.26Å; T347-T350 PolarHBondContact O-N 3Å; A348-T350 PolarHBondContact O-N 3.38Å; T350-L352 VanDerWaalsContact C-N 3.34Å; T350-L352 PolarHBondContact O-N 3.07Å; T350-N353 PolarHBondContact O-N 3.11Å; T350-T354 WeakPolarHBondContact O-CB 3.34Å; T350-T354 PolarHBondContact O-N 3.34Å; T350-T354 PolarHBondContact O-OG1 3.39Å
351	I	98.8	Very high	98.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-67	-36.4	-177.6	65.9	178.5	0	0	0	111.2	V262 L307 L311 T347 A348 L355	V262-I351 HydrophobicContact CB-CD1 4.28Å; V262-I351 HydrophobicContact CG1-CB 4.27Å; V262-I351 HydrophobicContact CG1-CD1 4.38Å; V262-I351 HydrophobicContact CG2-CD1 4.06Å; L307-I351 HydrophobicContact CB-CG2 3.5Å; L307-I351 VanDerWaalsContact CB-CG2 3.5Å; L307-I351 HydrophobicContact CD1-CG2 4.25Å; L311-I351 HydrophobicContact CD2-CD1 3.73Å; T347-I351 WeakPolarHBondContact O-CG2 3.22Å; T347-I351 PolarHBondContact O-N 2.74Å; A348-I351 WeakPolarHBondContact O-CG1 3.07Å; A348-I351 PolarHBondContact O-N 3.33Å; I351-L355 WeakPolarHBondContact O-CB 3.37Å; I351-L355 PolarHBondContact O-N 3.32Å
352	L	98.9	Very high	98.4	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-70	-42.3	177.4	-68.8	178.6	0	0	0	111.9	L131 K134 L135 V138 L258 A348 D349 T350 L355 Q356	L131-L352 HydrophobicContact CB-CD1 4.16Å; L131-L352 HydrophobicContact CD2-CD1 4.04Å; K134-L352 HydrophobicContact CB-CB 3.91Å; K134-L352 HydrophobicContact CB-CD1 4.08Å; L135-L352 HydrophobicContact CB-CD1 4.01Å; L135-L352 HydrophobicContact CB-CD2 4.12Å; L135-L352 HydrophobicContact CD1-CD2 3.86Å; V138-L352 HydrophobicContact CG2-CD2 4.44Å; V138-L352 WeakPolarHBondContact CG2-O 3.48Å; L258-L352 HydrophobicContact CD1-CD2 4.19Å; L258-L352 HydrophobicContact CD2-CD1 4.32Å; L258-L352 HydrophobicContact CD2-CD2 4.21Å; L258-L352 HydrophobicContact CD2-CG 4.37Å; A348-L352 WeakPolarHBondContact O-CB 3.48Å; A348-L352 VanDerWaalsContact O-CG 3.3Å; A348-L352 WeakPolarHBondContact O-CG 3.31Å; A348-L352 PolarHBondContact O-N 2.99Å; D349-L352 PolarHBondContact O-N 3.37Å; T350-L352 VanDerWaalsContact C-N 3.34Å; T350-L352 PolarHBondContact O-N 3.07Å; L352-L355 PolarHBondContact O-N 2.96Å; L352-Q356 WeakPolarHBondContact O-CB 3.49Å; L352-Q356 PolarHBondContact O-N 3.26Å
353	N	98.4	Very high	98.4	Very high	30 Å²	30	13.9 Å²	13.9	16%	0.16	8%	0.079	C	C	.	.	H	α-helix	trans	-61.5	-46	173.5	-80.8	-22.4	0	0	0	111.6	K134 D349 T350 Q356 N357 A480	K134-N353 VanDerWaalsContact CD-OD1 3.32Å; K134-N353 WeakPolarHBondContact CD-OD1 3.42Å; K134-N353 WeakPolarHBondContact CE-OD1 3.34Å; K134-N353 PolarHBondContact NZ-ND2 3.45Å; K134-N353 PolarHBondContact NZ-OD1 3.45Å; D349-N353 WeakPolarHBondContact O-CB 3.42Å; D349-N353 PolarHBondContact O-N 2.74Å; D349-N353 PolarHBondContact OD2-ND2 3.23Å; T350-N353 PolarHBondContact O-N 3.11Å; N353-Q356 PolarHBondContact O-N 2.97Å; N353-N357 PolarHBondContact O-N 3.43Å; N353-A480 WeakPolarHBondContact O-CB 3.34Å
354	T	98.5	Very high	98.3	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.012	8%	0.075	C	C	.	.	H	α-helix	trans	-66.9	-41.4	179.5	-55.2	0	0	0	0	111.4	R300 C304 T350 N357 I358 L482	R300-T354 HydrophobicContact CB-CG2 3.98Å; C304-T354 WeakPolarHBondContact SG-CG2 3.23Å; T350-T354 WeakPolarHBondContact O-CB 3.34Å; T350-T354 PolarHBondContact O-N 3.34Å; T350-T354 PolarHBondContact O-OG1 3.39Å; T354-N357 WeakPolarHBondContact O-CB 3.26Å; T354-N357 PolarHBondContact O-N 2.84Å; T354-I358 HydrophobicContact CG2-CD1 4.27Å; T354-I358 WeakPolarHBondContact O-CG1 3.4Å; T354-I358 PolarHBondContact O-N 3.13Å; T354-L482 HydrophobicContact CG2-CD1 4.22Å
355	L	98.8	Very high	98.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-68.1	-37.3	177.2	-174.6	59.4	0	0	0	111.9	V138 L179 V262 I265 I351 L352 N357 I358 S359	V138-L355 HydrophobicContact CG1-CD2 3.7Å; V138-L355 HydrophobicContact CG1-CG 3.74Å; V138-L355 HydrophobicContact CG2-CB 4.41Å; V138-L355 HydrophobicContact CG2-CG 4.47Å; L179-L355 HydrophobicContact CD1-CD2 4.47Å; V262-L355 HydrophobicContact CG1-CD2 4.27Å; V262-L355 HydrophobicContact CG2-CD2 3.89Å; I265-L355 HydrophobicContact CG2-CD1 4.3Å; I351-L355 WeakPolarHBondContact O-CB 3.37Å; I351-L355 PolarHBondContact O-N 3.32Å; L352-L355 PolarHBondContact O-N 2.96Å; L355-N357 VanDerWaalsContact C-N 3.31Å; L355-N357 PolarHBondContact O-N 3.08Å; L355-I358 PolarHBondContact O-N 2.94Å; L355-S359 WeakPolarHBondContact O-CB 3.36Å; L355-S359 PolarHBondContact O-N 2.9Å; L355-S359 PolarHBondContact O-OG 3.17Å
356	Q	98.7	Very high	98.3	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-60	-45.6	172.9	-177.5	-175.3	-25.9	0	0	110.1	R137 V138 L352 N353 I358 S359 E360 V478 A480	R137-Q356 HydrophobicContact CB-CG 4.36Å; V138-Q356 HydrophobicContact CG2-CB 3.78Å; L352-Q356 WeakPolarHBondContact O-CB 3.49Å; L352-Q356 PolarHBondContact O-N 3.26Å; N353-Q356 PolarHBondContact O-N 2.97Å; Q356-I358 VanDerWaalsContact C-N 3.35Å; Q356-I358 PolarHBondContact O-N 3.4Å; Q356-S359 PolarHBondContact O-N 2.93Å; Q356-E360 HydrophobicContact CG-CG 4.36Å; Q356-E360 PolarHBondContact NE2-OE1 3.41Å; Q356-E360 WeakPolarHBondContact O-CB 3.26Å; Q356-E360 VanDerWaalsContact O-CG 3.3Å; Q356-E360 WeakPolarHBondContact O-CG 3.47Å; Q356-E360 PolarHBondContact O-N 3.37Å; Q356-V478 PolarHBondContact NE2-O 3.01Å; Q356-A480 HydrophobicContact CB-CB 3.71Å; Q356-A480 HydrophobicContact CG-CB 3.68Å
357	N	98.2	Very high	98.3	Very high	19 Å²	19	24.6 Å²	24.6	10%	0.102	13%	0.129	C	C	.	.	H	α-helix	trans	-60.6	-42.7	177.2	177.7	-87	0	0	0	112.1	P281 R300 N353 T354 L355 E360 A480 L482	P281-N357 WeakPolarHBondContact CG-O 3.42Å; R300-N357 PolarHBondContact NH1-OD1 3.01Å; N353-N357 PolarHBondContact O-N 3.43Å; T354-N357 WeakPolarHBondContact O-CB 3.26Å; T354-N357 PolarHBondContact O-N 2.84Å; L355-N357 VanDerWaalsContact C-N 3.31Å; L355-N357 PolarHBondContact O-N 3.08Å; N357-E360 PolarHBondContact O-N 3.35Å; N357-A480 HydrophobicContact CB-CB 3.91Å; N357-A480 PolarHBondContact ND2-O 2.88Å; N357-L482 HydrophobicContact CB-CD1 3.79Å; N357-L482 HydrophobicContact CB-CG 3.91Å; N357-L482 VanDerWaalsContact CG-CD1 3.44Å; N357-L482 VanDerWaalsContact OD1-CD1 3.26Å; N357-L482 WeakPolarHBondContact OD1-CD1 3.38Å
358	I	98.5	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59	-52.3	174.2	-67.3	163.1	0	0	0	110.4	I269 E280 P281 R300 T354 L355 Q356 E360 G361 L362	I269-I358 HydrophobicContact CD1-CG2 4.01Å; E280-I358 HydrophobicContact CB-CG2 4.32Å; P281-I358 WeakPolarHBondContact CD-O 3.42Å; R300-I358 HydrophobicContact CB-CD1 3.68Å; R300-I358 HydrophobicContact CB-CG1 3.65Å; T354-I358 HydrophobicContact CG2-CD1 4.27Å; T354-I358 WeakPolarHBondContact O-CG1 3.4Å; T354-I358 PolarHBondContact O-N 3.13Å; L355-I358 PolarHBondContact O-N 2.94Å; Q356-I358 VanDerWaalsContact C-N 3.35Å; Q356-I358 PolarHBondContact O-N 3.4Å; I358-E360 VanDerWaalsContact C-N 3.28Å; I358-E360 PolarHBondContact O-N 3.34Å; I358-G361 CarbonylContact O-C 3.09Å; I358-G361 PolarHBondContact O-N 3.15Å; I358-G361 VanDerWaalsContact O-N 3.11Å; I358-L362 HydrophobicContact CG2-CD2 3.82Å; I358-L362 HydrophobicContact CG2-CG 4.47Å; I358-L362 WeakPolarHBondContact O-CG 3.35Å; I358-L362 PolarHBondContact O-N 2.94Å; I358-L362 VanDerWaalsContact O-N 3.15Å
359	S	98	Very high	98.3	Very high	7 Å²	7	27 Å²	27	5%	0.049	14%	0.144	C	C	.	.	H	α-helix	trans	-63.9	-29.2	-177	-58.6	0	0	0	0	113.6	L142 L355 Q356 G361	L142-S359 VanDerWaalsContact CD2-OG 3.3Å; L142-S359 WeakPolarHBondContact CD2-OG 3.26Å; L142-S359 WeakPolarHBondContact CG-OG 3.48Å; L355-S359 WeakPolarHBondContact O-CB 3.36Å; L355-S359 PolarHBondContact O-N 2.9Å; L355-S359 PolarHBondContact O-OG 3.17Å; Q356-S359 PolarHBondContact O-N 2.93Å; S359-G361 PolarHBondContact O-N 3.39Å
360	E	97.2	Very high	98.3	Very high	63 Å²	63	30.7 Å²	30.7	29%	0.294	16%	0.161	S	C	.	.	H	α-helix	trans	-71	-17	176.3	-78.1	179	165.7	0	0	113.5	R141 Q356 N357 I358 A480	R141-E360 HydrophobicContact CG-CG 3.71Å; R141-E360 IonicContact CZ-OE1 2.88Å; R141-E360 IonicContact NE-OE1 3.49Å; R141-E360 PolarHBondContact NE-OE1 2.87Å; R141-E360 IonicContact NH2-OE1 3.63Å; R141-E360 PolarHBondContact NH2-OE1 3.33Å; Q356-E360 HydrophobicContact CG-CG 4.36Å; Q356-E360 PolarHBondContact NE2-OE1 3.41Å; Q356-E360 WeakPolarHBondContact O-CB 3.26Å; Q356-E360 VanDerWaalsContact O-CG 3.3Å; Q356-E360 WeakPolarHBondContact O-CG 3.47Å; Q356-E360 PolarHBondContact O-N 3.37Å; N357-E360 PolarHBondContact O-N 3.35Å; I358-E360 VanDerWaalsContact C-N 3.28Å; I358-E360 PolarHBondContact O-N 3.34Å; E360-A480 PolarHBondContact OE2-N 2.85Å; E360-A480 VanDerWaalsContact OE2-N 3.1Å
361	G	95.5	Very high	98.2	Very high	25 Å²	25	37.5 Å²	37.5	26%	0.258	19%	0.187	S	C	.	.	S	Bend	trans	-138.9	23.1	-172.3	0	0	0	0	0	115.4	P281 I358 S359 V363	P281-G361 WeakPolarHBondContact CA-O 3.17Å; P281-G361 WeakPolarHBondContact CB-O 3.43Å; P281-G361 WeakPolarHBondContact CD-O 3.49Å; I358-G361 CarbonylContact O-C 3.09Å; I358-G361 PolarHBondContact O-N 3.15Å; I358-G361 VanDerWaalsContact O-N 3.11Å; S359-G361 PolarHBondContact O-N 3.39Å; G361-V363 PolarHBondContact O-N 3.37Å
362	L	97.9	Very high	98.2	Very high	21 Å²	21	40.2 Å²	40.2	11%	0.11	20%	0.197	C	C	.	.			trans	-57.1	127.3	173.4	-74.2	175.3	0	0	0	110.8	L142 F145 I269 M278 I358	L142-L362 HydrophobicContact CD2-CD1 4.33Å; F145-L362 HydrophobicContact CD1-CD1 4.48Å; F145-L362 HydrophobicContact CD2-CB 4.23Å; F145-L362 HydrophobicContact CD2-CD1 4.38Å; F145-L362 HydrophobicContact CE1-CD1 4.39Å; F145-L362 HydrophobicContact CE2-CB 3.86Å; F145-L362 HydrophobicContact CE2-CD1 4.27Å; F145-L362 HydrophobicContact CG-CD1 4.47Å; F145-L362 HydrophobicContact CZ-CB 4.42Å; F145-L362 HydrophobicContact CZ-CD1 4.27Å; I269-L362 HydrophobicContact CD1-CD2 4.36Å; M278-L362 HydrophobicContact CG-CD2 4.21Å; M278-L362 HydrophobicContact SD-CB 4.49Å; M278-L362 HydrophobicContact SD-CD1 4.03Å; M278-L362 HydrophobicContact SD-CD2 3.85Å; M278-L362 HydrophobicContact SD-CG 4.35Å; I358-L362 HydrophobicContact CG2-CD2 3.82Å; I358-L362 HydrophobicContact CG2-CG 4.47Å; I358-L362 WeakPolarHBondContact O-CG 3.35Å; I358-L362 PolarHBondContact O-N 2.94Å; I358-L362 VanDerWaalsContact O-N 3.15Å
363	V	97.5	Very high	98.2	Very high	60 Å²	60	40.4 Å²	40.4	36%	0.364	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130.1	176.7	-177.3	0	0	0	0	108.9	M278 E279 G361 Y365	M278-V363 CarbonylContact C-O 3.6Å; M278-V363 WeakPolarHBondContact CA-O 3.47Å; M278-V363 WeakPolarHBondContact CG-O 3.3Å; E279-V363 PolarHBondContact N-O 3.11Å; E279-V363 PolarHBondContact O-N 2.99Å; G361-V363 PolarHBondContact O-N 3.37Å; V363-Y365 HydrophobicContact CG1-CE1 4.16Å; V363-Y365 HydrophobicContact CG1-CE2 4.06Å
364	V	98.1	Very high	98.2	Very high	19 Å²	19	46.4 Å²	46.4	12%	0.115	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	142.5	180	-176.3	0	0	0	0	109.8	F145 L152 M278 P366 I369	F145-V364 HydrophobicContact CE2-CG2 3.54Å; F145-V364 HydrophobicContact CZ-CG2 3.44Å; F145-V364 VanDerWaalsContact CZ-CG2 3.44Å; L152-V364 HydrophobicContact CD2-CG1 3.84Å; M278-V364 HydrophobicContact CE-CG2 4.26Å; M278-V364 HydrophobicContact CG-CG2 4.42Å; V364-P366 VanDerWaalsContact O-CD 3.27Å; V364-P366 WeakPolarHBondContact O-CD 3.33Å; V364-I369 HydrophobicContact CG1-CD1 3.68Å
365	Y	98.5	Very high	98.2	Very high	71 Å²	71	48.4 Å²	48.4	28%	0.278	23%	0.227	S	C	.	.			trans	-115.7	82.5	179.3	-61.2	-78.4	0	0	0	112	K276 E277 E279 V363 K367 V368 I369	K276-Y365 WeakPolarHBondContact O-CB 3.47Å; K276-Y365 WeakPolarHBondContact O-CD2 3.37Å; E277-Y365 PolarHBondContact O-N 2.88Å; E279-Y365 HydrophobicContact CB-CE2 4.1Å; E279-Y365 HydrophobicContact CG-CE2 3.8Å; E279-Y365 PolarHBondContact OE2-OH 3.44Å; E279-Y365 VanDerWaalsContact OE2-OH 3.09Å; V363-Y365 HydrophobicContact CG1-CE1 4.16Å; V363-Y365 HydrophobicContact CG1-CE2 4.06Å; Y365-K367 VanDerWaalsContact C-N 3.26Å; Y365-K367 PolarHBondContact O-N 3.25Å; Y365-K367 VanDerWaalsContact O-N 3.14Å; Y365-V368 PolarHBondContact O-N 3.44Å; Y365-I369 PolarHBondContact O-N 3.44Å
366	P	98.5	Very high	98.2	Very high	47 Å²	47	50.9 Å²	50.9	31%	0.305	24%	0.239	S	C	.	.	H	α-helix	trans	-53.5	-38.3	-176.5	-28.6	35.3	0	0	0	114.1	L152 V364 V368 I369 E370	L152-P366 HydrophobicContact CD1-CB 4.41Å; V364-P366 VanDerWaalsContact O-CD 3.27Å; V364-P366 WeakPolarHBondContact O-CD 3.33Å; P366-V368 VanDerWaalsContact C-N 3.34Å; P366-V368 PolarHBondContact O-N 3.45Å; P366-I369 WeakPolarHBondContact O-CB 3.45Å; P366-I369 PolarHBondContact O-N 3.02Å; P366-E370 WeakPolarHBondContact O-CB 3.47Å; P366-E370 VanDerWaalsContact O-CG 3.25Å; P366-E370 WeakPolarHBondContact O-CG 3.45Å; P366-E370 PolarHBondContact O-N 2.55Å
367	K	98.7	Very high	98.1	Very high	150 Å²	150	51.1 Å²	51.1	65%	0.652	24%	0.24	S	C	*	.	H	α-helix	trans	-67	-31.3	180	-63.6	-47.2	-173	-166.5	0	114.1	Y365 E370 R371	Y365-K367 VanDerWaalsContact C-N 3.26Å; Y365-K367 PolarHBondContact O-N 3.25Å; Y365-K367 VanDerWaalsContact O-N 3.14Å; K367-E370 WeakPolarHBondContact CD-OE2 3.43Å; K367-E370 VanDerWaalsContact NZ-CD 3.26Å; K367-E370 IonicContact NZ-OE1 3.27Å; K367-E370 PolarHBondContact NZ-OE1 2.79Å; K367-E370 IonicContact NZ-OE2 3.11Å; K367-E370 PolarHBondContact NZ-OE2 2.96Å; K367-R371 WeakPolarHBondContact O-CB 3.45Å; K367-R371 PolarHBondContact O-N 3.33Å; K367-R371 VanDerWaalsContact O-N 3.12Å
368	V	98.6	Very high	98.1	Very high	49 Å²	49	50.5 Å²	50.5	30%	0.297	24%	0.237	S	C	.	.	H	α-helix	trans	-71.5	-42.8	173.2	178.7	0	0	0	0	109.9	L275 K276 E277 Y365 P366 R371 R372	L275-V368 WeakPolarHBondContact O-CG1 3.46Å; K276-V368 HydrophobicContact CB-CG1 4.09Å; K276-V368 WeakPolarHBondContact O-CB 3.48Å; K276-V368 WeakPolarHBondContact O-CG1 3.5Å; E277-V368 HydrophobicContact CG-CG1 4.46Å; Y365-V368 PolarHBondContact O-N 3.44Å; P366-V368 VanDerWaalsContact C-N 3.34Å; P366-V368 PolarHBondContact O-N 3.45Å; V368-R371 PolarHBondContact O-N 3.18Å; V368-R372 PolarHBondContact O-N 2.7Å
369	I	98.8	Very high	98.1	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-60.8	-50.9	177	-62.3	168.1	0	0	0	110.6	L152 P153 V168 E277 V364 Y365 P366 R371 R372 I373	L152-I369 HydrophobicContact CD2-CD1 4.37Å; P153-I369 WeakPolarHBondContact O-CG2 3.04Å; V168-I369 HydrophobicContact CG2-CD1 4.04Å; E277-I369 HydrophobicContact CB-CD1 4.25Å; E277-I369 HydrophobicContact CB-CG1 3.74Å; E277-I369 HydrophobicContact CG-CG1 3.72Å; V364-I369 HydrophobicContact CG1-CD1 3.68Å; Y365-I369 PolarHBondContact O-N 3.44Å; P366-I369 WeakPolarHBondContact O-CB 3.45Å; P366-I369 PolarHBondContact O-N 3.02Å; I369-R371 VanDerWaalsContact C-N 3.31Å; I369-R371 PolarHBondContact O-N 2.97Å; I369-R372 PolarHBondContact O-N 2.9Å; I369-R372 VanDerWaalsContact O-N 3.15Å; I369-I373 HydrophobicContact CG2-CD1 3.94Å; I369-I373 HydrophobicContact CG2-CG1 4.48Å; I369-I373 WeakPolarHBondContact O-CG1 3.44Å; I369-I373 PolarHBondContact O-N 3.01Å
370	E	98.6	Very high	98	Very high	76 Å²	76	54.5 Å²	54.5	36%	0.355	26%	0.255	S	S	.	.	H	α-helix	trans	-56.3	-42.5	176.4	-73.3	167.5	-152.6	0	0	111.9	P366 K367 R374	P366-E370 WeakPolarHBondContact O-CB 3.47Å; P366-E370 VanDerWaalsContact O-CG 3.25Å; P366-E370 WeakPolarHBondContact O-CG 3.45Å; P366-E370 PolarHBondContact O-N 2.55Å; K367-E370 WeakPolarHBondContact CD-OE2 3.43Å; K367-E370 VanDerWaalsContact NZ-CD 3.26Å; K367-E370 IonicContact NZ-OE1 3.27Å; K367-E370 PolarHBondContact NZ-OE1 2.79Å; K367-E370 IonicContact NZ-OE2 3.11Å; K367-E370 PolarHBondContact NZ-OE2 2.96Å; E370-R374 WeakPolarHBondContact O-CG 3.13Å; E370-R374 PolarHBondContact O-N 3.4Å
371	R	98.5	Very high	98	Very high	146 Å²	146	51.5 Å²	51.5	55%	0.551	24%	0.241	S	C	*	.	H	α-helix	trans	-62.2	-46.5	176.3	-179.4	179.7	177.9	179.3	0.7	111.3	K367 V368 I369 R374 Q375	K367-R371 WeakPolarHBondContact O-CB 3.45Å; K367-R371 PolarHBondContact O-N 3.33Å; K367-R371 VanDerWaalsContact O-N 3.12Å; V368-R371 PolarHBondContact O-N 3.18Å; I369-R371 VanDerWaalsContact C-N 3.31Å; I369-R371 PolarHBondContact O-N 2.97Å; R371-R374 PolarHBondContact O-N 3.4Å; R371-Q375 PolarHBondContact O-N 3.47Å
372	R	98.6	Very high	98	Very high	56 Å²	56	52 Å²	52	21%	0.211	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-41.1	180	-177.8	170.8	-67.1	99.1	0.5	111.9	L155 L275 E277 V368 I369 R374 Q375 E376	L155-R372 HydrophobicContact CD2-CG 3.81Å; L275-R372 PolarHBondContact O-NH1 2.93Å; L275-R372 VanDerWaalsContact O-NH1 3.12Å; L275-R372 PolarHBondContact O-NH2 3.32Å; E277-R372 WeakPolarHBondContact OE1-CD 3.5Å; E277-R372 IonicContact OE1-CZ 3.44Å; E277-R372 IonicContact OE1-NE 3.59Å; E277-R372 IonicContact OE1-NH1 3.84Å; E277-R372 PolarHBondContact OE1-NH1 3.32Å; V368-R372 PolarHBondContact O-N 2.7Å; I369-R372 PolarHBondContact O-N 2.9Å; I369-R372 VanDerWaalsContact O-N 3.15Å; R372-R374 VanDerWaalsContact C-N 3.33Å; R372-R374 PolarHBondContact O-N 3.04Å; R372-Q375 PolarHBondContact O-N 2.95Å; R372-E376 PolarHBondContact O-N 3.19Å
373	I	98.6	Very high	97.8	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	25%	0.25	C	S	.	.	H	α-helix	trans	-57.8	-47.7	173.8	-68.8	170	0	0	0	110.2	P153 L165 I369 Q375 E376 L377 P446	P153-I373 HydrophobicContact CB-CD1 3.98Å; L165-I373 HydrophobicContact CD1-CD1 4.33Å; L165-I373 HydrophobicContact CD1-CG2 3.9Å; L165-I373 HydrophobicContact CD2-CG1 4.13Å; L165-I373 HydrophobicContact CD2-CG2 4.27Å; I369-I373 HydrophobicContact CG2-CD1 3.94Å; I369-I373 HydrophobicContact CG2-CG1 4.48Å; I369-I373 WeakPolarHBondContact O-CG1 3.44Å; I369-I373 PolarHBondContact O-N 3.01Å; I373-Q375 PolarHBondContact O-N 3.21Å; I373-Q375 VanDerWaalsContact O-N 3.15Å; I373-E376 PolarHBondContact O-N 3.16Å; I373-L377 HydrophobicContact CG2-CB 3.95Å; I373-L377 HydrophobicContact CG2-CD2 3.84Å; I373-L377 HydrophobicContact CG2-CG 4.38Å; I373-L377 WeakPolarHBondContact O-CB 3.44Å; I373-L377 PolarHBondContact O-N 3.07Å; I373-P446 HydrophobicContact CG2-CB 4.03Å; I373-P446 HydrophobicContact CG2-CG 3.85Å
374	R	98.1	Very high	97.7	Very high	157 Å²	157	54.5 Å²	54.5	59%	0.592	25%	0.248	S	C	*	.	H	α-helix	trans	-58.2	-29.1	179.4	-78	-176	-70.4	138.4	-5.8	114	E370 R371 R372 P378	E370-R374 WeakPolarHBondContact O-CG 3.13Å; E370-R374 PolarHBondContact O-N 3.4Å; R371-R374 PolarHBondContact O-N 3.4Å; R372-R374 VanDerWaalsContact C-N 3.33Å; R372-R374 PolarHBondContact O-N 3.04Å; R374-P378 WeakPolarHBondContact O-CD 3.32Å; R374-P378 WeakPolarHBondContact O-CG 3.19Å
375	Q	98.2	Very high	97.6	Very high	43 Å²	43	53.6 Å²	53.6	20%	0.201	24%	0.242	C	C	.	.	H	α-helix	trans	-76.1	-26.6	178.1	-67.3	-60.6	-49.2	0	0	113.4	R371 R372 I373 D420 N421	R371-Q375 PolarHBondContact O-N 3.47Å; R372-Q375 PolarHBondContact O-N 2.95Å; I373-Q375 PolarHBondContact O-N 3.21Å; I373-Q375 VanDerWaalsContact O-N 3.15Å; Q375-D420 PolarHBondContact NE2-OD1 3.12Å; Q375-N421 VanDerWaalsContact O-CB 3.27Å; Q375-N421 WeakPolarHBondContact O-CB 3.31Å; Q375-N421 PolarHBondContact O-ND2 2.77Å
376	E	98.3	Very high	97.5	Very high	53 Å²	53	50.4 Å²	50.4	25%	0.248	23%	0.23	C	C	.	.	H	α-helix	trans	-112.2	-29.8	-172.5	-57.6	-60.6	164.6	0	0	113.3	L155 P162 R372 I373 P378 F379 M380	L155-E376 HydrophobicContact CD1-CB 3.94Å; L155-E376 HydrophobicContact CD1-CG 4.34Å; L155-E376 HydrophobicContact CD2-CB 4.34Å; L155-E376 HydrophobicContact CD2-CG 3.81Å; P162-E376 HydrophobicContact CB-CB 4.08Å; P162-E376 HydrophobicContact CB-CG 3.88Å; P162-E376 VanDerWaalsContact CG-CD 3.43Å; P162-E376 HydrophobicContact CG-CG 3.8Å; P162-E376 WeakPolarHBondContact CG-OE2 3.34Å; R372-E376 PolarHBondContact O-N 3.19Å; I373-E376 PolarHBondContact O-N 3.16Å; E376-P378 VanDerWaalsContact C-N 3.35Å; E376-F379 PolarHBondContact O-N 3.41Å; E376-F379 VanDerWaalsContact O-N 3.13Å; E376-M380 HydrophobicContact CB-CE 4.05Å; E376-M380 PolarHBondContact O-N 3.23Å
377	L	97.9	Very high	97.4	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-58	-36.3	-177.8	-166.3	62.7	0	0	0	114	L165 I373 F379 M380 A381 L444 P446 F449	L165-L377 HydrophobicContact CD1-CD1 3.94Å; L165-L377 HydrophobicContact CD2-CD1 4.45Å; L165-L377 HydrophobicContact CG-CD1 4.09Å; I373-L377 HydrophobicContact CG2-CB 3.95Å; I373-L377 HydrophobicContact CG2-CD2 3.84Å; I373-L377 HydrophobicContact CG2-CG 4.38Å; I373-L377 WeakPolarHBondContact O-CB 3.44Å; I373-L377 PolarHBondContact O-N 3.07Å; L377-F379 PolarHBondContact O-N 3.43Å; L377-M380 HydrophobicContact CB-CE 4.36Å; L377-M380 HydrophobicContact CD1-CB 4.39Å; L377-M380 HydrophobicContact CD1-CE 3.97Å; L377-M380 CarbonylContact O-C 3.54Å; L377-M380 PolarHBondContact O-N 3.44Å; L377-A381 VanDerWaalsContact O-CB 3.28Å; L377-A381 WeakPolarHBondContact O-CB 3.08Å; L377-A381 PolarHBondContact O-N 3.2Å; L377-L444 WeakPolarHBondContact CD2-O 3.37Å; L377-P446 HydrophobicContact CD2-CB 4.35Å; L377-P446 HydrophobicContact CD2-CG 3.99Å; L377-F449 HydrophobicContact CD1-CB 4.2Å; L377-F449 HydrophobicContact CD1-CD1 3.77Å; L377-F449 HydrophobicContact CD1-CD2 3.83Å; L377-F449 HydrophobicContact CD1-CE1 4.04Å; L377-F449 HydrophobicContact CD1-CE2 4.1Å; L377-F449 HydrophobicContact CD1-CG 3.67Å; L377-F449 HydrophobicContact CD1-CZ 4.2Å; L377-F449 HydrophobicContact CD2-CD2 4.29Å; L377-F449 HydrophobicContact CD2-CE2 4.36Å; L377-F449 HydrophobicContact CG-CD2 4.47Å; L377-F449 HydrophobicContact CG-CE2 4.4Å
378	P	97.9	Very high	97.3	Very high	7 Å²	7	47 Å²	47	5%	0.045	22%	0.215	C	C	.	.	H	α-helix	trans	-53.2	-40.8	174.3	-30.2	38.1	0	0	0	113.4	R374 E376 L423 I424	R374-P378 WeakPolarHBondContact O-CD 3.32Å; R374-P378 WeakPolarHBondContact O-CG 3.19Å; E376-P378 VanDerWaalsContact C-N 3.35Å; P378-L423 HydrophobicContact CB-CB 4Å; P378-L423 HydrophobicContact CB-CD2 3.96Å; P378-L423 HydrophobicContact CB-CG 4.31Å; P378-I424 HydrophobicContact CB-CD1 3.7Å; P378-I424 HydrophobicContact CB-CG1 3.83Å; P378-I424 HydrophobicContact CG-CD1 4.08Å; P378-I424 HydrophobicContact CG-CG1 3.71Å
379	F	97.7	Very high	97.3	Very high	54 Å²	54	44.9 Å²	44.9	24%	0.237	20%	0.202	C	C	.	.	H	α-helix	trans	-70	-37.9	177.9	-62.4	-48.6	0	0	0	112.1	E376 L377 T382 A410 A411 N421 L423	E376-F379 PolarHBondContact O-N 3.41Å; E376-F379 VanDerWaalsContact O-N 3.13Å; L377-F379 PolarHBondContact O-N 3.43Å; F379-T382 WeakPolarHBondContact O-CG2 3.45Å; F379-T382 PolarHBondContact O-OG1 2.6Å; F379-A410 HydrophobicContact CE1-CB 4.04Å; F379-A410 HydrophobicContact CZ-CB 4.17Å; F379-A411 HydrophobicContact CE1-CB 4.44Å; F379-A411 HydrophobicContact CZ-CB 4.13Å; F379-N421 WeakPolarHBondContact CD2-ND2 3.37Å; F379-N421 WeakPolarHBondContact CE2-ND2 3.48Å; F379-N421 VanDerWaalsContact CZ-ND2 3.28Å; F379-N421 WeakPolarHBondContact CZ-ND2 3.17Å; F379-L423 HydrophobicContact CD1-CD2 3.69Å; F379-L423 HydrophobicContact CE1-CB 4.47Å; F379-L423 HydrophobicContact CE1-CD2 4Å
380	M	96.8	Very high	97.2	Very high	36 Å²	36	47.8 Å²	47.8	18%	0.177	22%	0.22	C	C	.	.	H	α-helix	trans	-73.4	-26.8	178.1	-65.8	-176.5	-75.6	0	0	113.4	L155 L165 E376 L377 T382	L155-M380 HydrophobicContact CD1-CE 3.59Å; L155-M380 HydrophobicContact CD1-SD 4.39Å; L165-M380 HydrophobicContact CD2-CE 3.73Å; L165-M380 HydrophobicContact CG-CE 4.46Å; E376-M380 HydrophobicContact CB-CE 4.05Å; E376-M380 PolarHBondContact O-N 3.23Å; L377-M380 HydrophobicContact CB-CE 4.36Å; L377-M380 HydrophobicContact CD1-CB 4.39Å; L377-M380 HydrophobicContact CD1-CE 3.97Å; L377-M380 CarbonylContact O-C 3.54Å; L377-M380 PolarHBondContact O-N 3.44Å; M380-T382 VanDerWaalsContact C-N 3.28Å; M380-T382 PolarHBondContact O-N 3.46Å
381	A	96.8	Very high	97.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-4	-177.8	0	0	0	0	0	114.2	L377 E383 N384 I385 L444 F449	L377-A381 VanDerWaalsContact O-CB 3.28Å; L377-A381 WeakPolarHBondContact O-CB 3.08Å; L377-A381 PolarHBondContact O-N 3.2Å; A381-E383 VanDerWaalsContact C-N 3.32Å; A381-E383 PolarHBondContact O-N 3.15Å; A381-N384 WeakPolarHBondContact O-CB 3.45Å; A381-N384 PolarHBondContact O-N 3.31Å; A381-I385 HydrophobicContact CB-CD1 4.33Å; A381-I385 WeakPolarHBondContact O-CG1 3.42Å; A381-I385 PolarHBondContact O-N 2.84Å; A381-L444 HydrophobicContact CB-CD2 3.62Å; A381-F449 HydrophobicContact CB-CE1 4.01Å; A381-F449 HydrophobicContact CB-CZ 3.56Å
382	T	95	Very high	97.1	Very high	35 Å²	35	48.9 Å²	48.9	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-54	-42.1	-175.2	48.5	0	0	0	0	113.4	F379 M380 I385 I386 I403 L423	F379-T382 WeakPolarHBondContact O-CG2 3.45Å; F379-T382 PolarHBondContact O-OG1 2.6Å; M380-T382 VanDerWaalsContact C-N 3.28Å; M380-T382 PolarHBondContact O-N 3.46Å; T382-I385 PolarHBondContact O-N 3.37Å; T382-I386 VanDerWaalsContact O-CG1 3.27Å; T382-I386 WeakPolarHBondContact O-CG1 3.49Å; T382-I386 PolarHBondContact O-N 3.01Å; T382-I403 HydrophobicContact CG2-CG2 3.41Å; T382-I403 VanDerWaalsContact CG2-CG2 3.41Å; T382-L423 HydrophobicContact CG2-CD2 4.41Å
383	E	93.7	Very high	97	Very high	76 Å²	76	49.7 Å²	49.7	36%	0.355	26%	0.263	S	S	.	.	H	α-helix	trans	-66.6	-40.2	175.6	-173.7	63.9	-161.3	0	0	112.3	A381 I385 I386 M387 R396	A381-E383 VanDerWaalsContact C-N 3.32Å; A381-E383 PolarHBondContact O-N 3.15Å; E383-I385 VanDerWaalsContact C-N 3.28Å; E383-I385 PolarHBondContact O-N 2.74Å; E383-I386 PolarHBondContact O-N 3.32Å; E383-M387 HydrophobicContact CG-CG 4.48Å; E383-M387 HydrophobicContact CG-SD 4.36Å; E383-M387 WeakPolarHBondContact O-CG 3.33Å; E383-M387 PolarHBondContact O-N 3.09Å; E383-R396 IonicContact OE1-CZ 3.71Å; E383-R396 IonicContact OE1-NH2 2.79Å; E383-R396 PolarHBondContact OE1-NH2 2.85Å; E383-R396 IonicContact OE2-NH2 3.11Å; E383-R396 PolarHBondContact OE2-NH2 2.75Å
384	N	94.9	Very high	96.8	Very high	58 Å²	58	50.6 Å²	50.6	31%	0.31	27%	0.273	S	S	.	.	H	α-helix	trans	-62.5	-38.8	176.9	-71.4	10.6	0	0	0	111.3	A381 M387 A388 F449	A381-N384 WeakPolarHBondContact O-CB 3.45Å; A381-N384 PolarHBondContact O-N 3.31Å; N384-M387 PolarHBondContact O-N 3.26Å; N384-A388 WeakPolarHBondContact O-CB 3.23Å; N384-A388 PolarHBondContact O-N 2.83Å; N384-F449 WeakPolarHBondContact ND2-CZ 3.37Å
385	I	96.8	Very high	96.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-44.3	175.7	-65.2	170.6	0	0	0	110.3	A381 T382 E383 M387 A388 M389 I403 I427 F433 I436	A381-I385 HydrophobicContact CB-CD1 4.33Å; A381-I385 WeakPolarHBondContact O-CG1 3.42Å; A381-I385 PolarHBondContact O-N 2.84Å; T382-I385 PolarHBondContact O-N 3.37Å; E383-I385 VanDerWaalsContact C-N 3.28Å; E383-I385 PolarHBondContact O-N 2.74Å; I385-M387 PolarHBondContact O-N 2.99Å; I385-A388 PolarHBondContact O-N 3.39Å; I385-M389 PolarHBondContact O-N 2.96Å; I385-I403 HydrophobicContact CB-CD1 4.17Å; I385-I403 HydrophobicContact CG2-CD1 3.63Å; I385-I427 HydrophobicContact CD1-CD1 3.9Å; I385-F433 HydrophobicContact CG2-CD1 4.49Å; I385-I436 HydrophobicContact CG2-CD1 3.52Å
386	I	96.4	Very high	96.6	Very high	4 Å²	4	50 Å²	50	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-59.2	-47.7	174.3	-68.2	166.3	0	0	0	110.7	T382 E383 A388 M389 V390 R396 H400 I403	T382-I386 VanDerWaalsContact O-CG1 3.27Å; T382-I386 WeakPolarHBondContact O-CG1 3.49Å; T382-I386 PolarHBondContact O-N 3.01Å; E383-I386 PolarHBondContact O-N 3.32Å; I386-A388 VanDerWaalsContact C-N 3.32Å; I386-A388 PolarHBondContact O-N 3.11Å; I386-M389 PolarHBondContact O-N 3.01Å; I386-V390 HydrophobicContact CG2-CG2 4.3Å; I386-V390 WeakPolarHBondContact O-CG2 3.35Å; I386-V390 PolarHBondContact O-N 3.45Å; I386-R396 HydrophobicContact CG2-CG 3.78Å; I386-H400 HydrophobicContact CD1-CB 4.1Å; I386-I403 HydrophobicContact CD1-CD1 4.34Å; I386-I403 HydrophobicContact CG1-CD1 3.54Å
387	M	96.4	Very high	96.5	Very high	117 Å²	117	53.9 Å²	53.9	58%	0.576	30%	0.296	S	S	*	.	H	α-helix	trans	-60.2	-41.3	179.2	-72.5	178.3	65.8	0	0	112.1	E383 N384 I385 V390 K391	E383-M387 HydrophobicContact CG-CG 4.48Å; E383-M387 HydrophobicContact CG-SD 4.36Å; E383-M387 WeakPolarHBondContact O-CG 3.33Å; E383-M387 PolarHBondContact O-N 3.09Å; N384-M387 PolarHBondContact O-N 3.26Å; I385-M387 PolarHBondContact O-N 2.99Å; M387-V390 PolarHBondContact O-N 2.86Å; M387-K391 WeakPolarHBondContact O-CB 3.48Å; M387-K391 PolarHBondContact O-N 2.62Å
388	A	97.4	Very high	96.4	Very high	9 Å²	9	58.2 Å²	58.2	7%	0.074	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-42.4	176.3	0	0	0	0	0	112	N384 I385 I386 K391 A392 I436 L443	N384-A388 WeakPolarHBondContact O-CB 3.23Å; N384-A388 PolarHBondContact O-N 2.83Å; I385-A388 PolarHBondContact O-N 3.39Å; I386-A388 VanDerWaalsContact C-N 3.32Å; I386-A388 PolarHBondContact O-N 3.11Å; A388-K391 PolarHBondContact O-N 3Å; A388-A392 WeakPolarHBondContact O-CB 3.31Å; A388-A392 PolarHBondContact O-N 3.47Å; A388-I436 HydrophobicContact CB-CG2 3.77Å; A388-L443 HydrophobicContact CB-CD1 3.73Å; A388-L443 HydrophobicContact CB-CD2 4.11Å
389	M	97.8	Very high	96.3	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.025	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-43.9	175.2	-81.2	-60.7	-66.6	0	0	112.4	I385 I386 K391 A392 G393 G394 C399 Y432 F433 P435 I436	I385-M389 PolarHBondContact O-N 2.96Å; I386-M389 PolarHBondContact O-N 3.01Å; M389-K391 VanDerWaalsContact C-N 3.33Å; M389-K391 PolarHBondContact O-N 2.92Å; M389-A392 CarbonylContact O-C 3.57Å; M389-A392 PolarHBondContact O-N 3.48Å; M389-A392 VanDerWaalsContact O-N 3.14Å; M389-G393 PolarHBondContact O-N 2.94Å; M389-G394 WeakPolarHBondContact O-CA 3.24Å; M389-G394 PolarHBondContact O-N 3.2Å; M389-C399 HydrophobicContact CB-CB 4.42Å; M389-Y432 HydrophobicContact CE-CD1 3.98Å; M389-Y432 HydrophobicContact CE-CE1 3.64Å; M389-Y432 WeakPolarHBondContact CE-O 3.39Å; M389-F433 HydrophobicContact CG-CD1 4.02Å; M389-F433 HydrophobicContact CG-CE1 4.5Å; M389-F433 HydrophobicContact SD-CD1 4.24Å; M389-P435 HydrophobicContact CE-CG 4.34Å; M389-P435 HydrophobicContact SD-CB 4.31Å; M389-P435 HydrophobicContact SD-CG 4.35Å; M389-I436 HydrophobicContact CG-CD1 3.93Å; M389-I436 HydrophobicContact CG-CG1 4.18Å; M389-I436 HydrophobicContact CG-CG2 4.12Å; M389-I436 HydrophobicContact SD-CB 4.36Å; M389-I436 HydrophobicContact SD-CD1 4.21Å; M389-I436 HydrophobicContact SD-CG1 3.78Å; M389-I436 HydrophobicContact SD-CG2 3.75Å
390	V	97.3	Very high	96.3	Very high	63 Å²	63	59.2 Å²	59.2	38%	0.382	32%	0.323	S	S	.	.	H	α-helix	trans	-62	-42.4	175.9	171.8	0	0	0	0	110.8	I386 M387 A392 G393 R396	I386-V390 HydrophobicContact CG2-CG2 4.3Å; I386-V390 WeakPolarHBondContact O-CG2 3.35Å; I386-V390 PolarHBondContact O-N 3.45Å; M387-V390 PolarHBondContact O-N 2.86Å; V390-A392 PolarHBondContact O-N 2.98Å; V390-G393 PolarHBondContact O-N 3.15Å; V390-R396 HydrophobicContact CG2-CB 3.73Å; V390-R396 HydrophobicContact CG2-CG 4.16Å
391	K	97.1	Very high	96.4	Very high	193 Å²	193	61.3 Å²	61.3	84%	0.839	33%	0.333	S	S	*	.	H	α-helix	trans	-64	-29.8	175.6	-170.6	177.9	178.4	-176.1	0	112.7	M387 A388 M389 G393	M387-K391 WeakPolarHBondContact O-CB 3.48Å; M387-K391 PolarHBondContact O-N 2.62Å; A388-K391 PolarHBondContact O-N 3Å; M389-K391 VanDerWaalsContact C-N 3.33Å; M389-K391 PolarHBondContact O-N 2.92Å; K391-G393 PolarHBondContact O-N 2.95Å
392	A	96.9	Very high	96.4	Very high	52 Å²	52	64.7 Å²	64.7	43%	0.43	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	5.5	173.5	0	0	0	0	0	113.9	A388 M389 V390 P435	A388-A392 WeakPolarHBondContact O-CB 3.31Å; A388-A392 PolarHBondContact O-N 3.47Å; M389-A392 CarbonylContact O-C 3.57Å; M389-A392 PolarHBondContact O-N 3.48Å; M389-A392 VanDerWaalsContact O-N 3.14Å; V390-A392 PolarHBondContact O-N 2.98Å; A392-P435 HydrophobicContact CB-CB 3.75Å
393	G	95.9	Very high	96.5	Very high	72 Å²	72	63.3 Å²	63.3	74%	0.742	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.4	6.8	177.2	0	0	0	0	0	115.2	M389 V390 K391	M389-G393 PolarHBondContact O-N 2.94Å; V390-G393 PolarHBondContact O-N 3.15Å; K391-G393 PolarHBondContact O-N 2.95Å
394	G	94.7	Very high	96.7	Very high	24 Å²	24	64.9 Å²	64.9	25%	0.247	34%	0.341	C	S	.	.			trans	-76.9	157.7	178	0	0	0	0	0	114.3	M389	M389-G394 WeakPolarHBondContact O-CA 3.24Å; M389-G394 PolarHBondContact O-N 3.2Å
395	S	96.1	Very high	96.8	Very high	52 Å²	52	64.9 Å²	64.9	36%	0.364	34%	0.343	S	S	.	.			trans	-76.9	125.9	172.9	164.7	0	0	0	0	111.1	Q397 D398 C399 Y432	S395-Q397 VanDerWaalsContact C-N 3.3Å; S395-Q397 PolarHBondContact O-N 3.29Å; S395-D398 WeakPolarHBondContact CB-OD2 3.29Å; S395-D398 PolarHBondContact O-N 2.95Å; S395-D398 PolarHBondContact OG-N 3.29Å; S395-D398 PolarHBondContact OG-OD2 3.18Å; S395-C399 VanDerWaalsContact O-CB 3.27Å; S395-C399 WeakPolarHBondContact O-CB 3.36Å; S395-C399 PolarHBondContact O-N 3.5Å; S395-Y432 PolarHBondContact O-OH 3.5Å
396	R	96.2	Very high	96.9	Very high	135 Å²	135	65.6 Å²	65.6	51%	0.509	35%	0.347	S	S	.	.	H	α-helix	trans	-57.7	-43	178.2	-170.7	174.7	-165.6	-101.8	-2.6	111.9	E383 I386 V390 H400	E383-R396 IonicContact OE1-CZ 3.71Å; E383-R396 IonicContact OE1-NH2 2.79Å; E383-R396 PolarHBondContact OE1-NH2 2.85Å; E383-R396 IonicContact OE2-NH2 3.11Å; E383-R396 PolarHBondContact OE2-NH2 2.75Å; I386-R396 HydrophobicContact CG2-CG 3.78Å; V390-R396 HydrophobicContact CG2-CB 3.73Å; V390-R396 HydrophobicContact CG2-CG 4.16Å; R396-H400 WeakPolarHBondContact O-CB 3.45Å; R396-H400 PolarHBondContact O-N 2.63Å
397	Q	96.1	Very high	96.9	Very high	135 Å²	135	66.4 Å²	66.4	63%	0.631	35%	0.353	S	S	*	.	H	α-helix	trans	-70.2	-42.6	-174.5	-164.9	64.6	23.6	0	0	111.7	S395 H400 E401	S395-Q397 VanDerWaalsContact C-N 3.3Å; S395-Q397 PolarHBondContact O-N 3.29Å; Q397-H400 PolarHBondContact O-N 3.48Å; Q397-E401 PolarHBondContact O-N 2.79Å; Q397-E401 VanDerWaalsContact O-N 3.15Å
398	D	96.5	Very high	97	Very high	95 Å²	95	65.4 Å²	65.4	51%	0.508	35%	0.347	S	S	.	.	H	α-helix	trans	-68.1	-39.5	178	-59.6	-43.4	0	0	0	111.1	S395 E401 K402 Y432	S395-D398 WeakPolarHBondContact CB-OD2 3.29Å; S395-D398 PolarHBondContact O-N 2.95Å; S395-D398 PolarHBondContact OG-N 3.29Å; S395-D398 PolarHBondContact OG-OD2 3.18Å; D398-E401 PolarHBondContact O-N 2.95Å; D398-K402 PolarHBondContact O-N 3.22Å; D398-K402 VanDerWaalsContact O-N 3.09Å; D398-Y432 HydrophobicContact CB-CE2 4.45Å
399	C	96.5	Very high	97	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-64.6	-44.3	178.2	-171.9	0	0	0	0	111.2	M389 S395 K402 I403 Y432	M389-C399 HydrophobicContact CB-CB 4.42Å; S395-C399 VanDerWaalsContact O-CB 3.27Å; S395-C399 WeakPolarHBondContact O-CB 3.36Å; S395-C399 PolarHBondContact O-N 3.5Å; C399-K402 PolarHBondContact O-N 3.23Å; C399-I403 WeakPolarHBondContact O-CB 3.45Å; C399-I403 WeakPolarHBondContact O-CG1 3.15Å; C399-I403 PolarHBondContact O-N 3.25Å; C399-Y432 VanDerWaalsContact CA-OH 3.26Å; C399-Y432 WeakPolarHBondContact CA-OH 3.45Å; C399-Y432 HydrophobicContact CB-CE1 3.96Å; C399-Y432 WeakPolarHBondContact CB-OH 3.36Å; C399-Y432 PolarHBondContact N-OH 3.1Å
400	H	97.7	Very high	97	Very high	82 Å²	82	68.6 Å²	68.6	38%	0.38	36%	0.36	S	S	.	.	H	α-helix	trans	-59.9	-48.4	177.8	178.1	-79.3	0	0	0	111.6	I386 R396 Q397 K402 I403 R404	I386-H400 HydrophobicContact CD1-CB 4.1Å; R396-H400 WeakPolarHBondContact O-CB 3.45Å; R396-H400 PolarHBondContact O-N 2.63Å; Q397-H400 PolarHBondContact O-N 3.48Å; H400-K402 PolarHBondContact O-N 2.85Å; H400-I403 PolarHBondContact O-N 3.46Å; H400-R404 WeakPolarHBondContact O-CB 3.44Å; H400-R404 PolarHBondContact O-N 3.26Å
401	E	97.1	Very high	97.1	Very high	81 Å²	81	67 Å²	67	38%	0.379	35%	0.353	S	S	.	.	H	α-helix	trans	-65.6	-40.8	-178.4	-173.4	55.3	-151.8	0	0	112.2	Q397 D398 R404 V405	Q397-E401 PolarHBondContact O-N 2.79Å; Q397-E401 VanDerWaalsContact O-N 3.15Å; D398-E401 PolarHBondContact O-N 2.95Å; E401-R404 WeakPolarHBondContact O-CB 3.37Å; E401-R404 PolarHBondContact O-N 3.39Å; E401-R404 IonicContact OE1-CZ 2.66Å; E401-R404 IonicContact OE1-NH1 2.96Å; E401-R404 PolarHBondContact OE1-NH1 2.92Å; E401-R404 IonicContact OE2-NH1 2.72Å; E401-V405 WeakPolarHBondContact O-CG2 3.38Å; E401-V405 PolarHBondContact O-N 3.32Å
402	K	97.2	Very high	97.1	Very high	71 Å²	71	60.6 Å²	60.6	31%	0.309	33%	0.333	S	S	.	.	H	α-helix	trans	-60.8	-48.4	174.6	-81.5	176	157.3	-86.1	0	112.2	D398 C399 H400 R404 V405 L406 D430 Y432 F433	D398-K402 PolarHBondContact O-N 3.22Å; D398-K402 VanDerWaalsContact O-N 3.09Å; C399-K402 PolarHBondContact O-N 3.23Å; H400-K402 PolarHBondContact O-N 2.85Å; K402-R404 VanDerWaalsContact C-N 3.29Å; K402-R404 PolarHBondContact O-N 2.97Å; K402-V405 PolarHBondContact O-N 3.49Å; K402-L406 WeakPolarHBondContact O-CG 3.5Å; K402-L406 PolarHBondContact O-N 2.99Å; K402-D430 IonicContact NZ-OD1 3.21Å; K402-D430 PolarHBondContact NZ-OD1 3.37Å; K402-D430 IonicContact NZ-OD2 3.62Å; K402-D430 PolarHBondContact NZ-OD2 3.12Å; K402-Y432 HydrophobicContact CD-CD1 3.39Å; K402-Y432 HydrophobicContact CD-CD2 3.5Å; K402-Y432 VanDerWaalsContact CD-CD2 3.5Å; K402-Y432 HydrophobicContact CD-CE1 3.74Å; K402-Y432 HydrophobicContact CD-CE2 3.82Å; K402-Y432 HydrophobicContact CD-CG 3.27Å; K402-Y432 VanDerWaalsContact CE-CD2 3.4Å; K402-Y432 VanDerWaalsContact CE-CG 3.45Å; K402-F433 HydrophobicContact CB-CE2 4.44Å; K402-F433 HydrophobicContact CB-CZ 3.97Å
403	I	97.3	Very high	97.2	Very high	5 Å²	5	59 Å²	59	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-61.5	-40	177.5	-71.4	170.6	0	0	0	110.9	T382 I385 I386 C399 H400 V405 L406 S407 F433	T382-I403 HydrophobicContact CG2-CG2 3.41Å; T382-I403 VanDerWaalsContact CG2-CG2 3.41Å; I385-I403 HydrophobicContact CB-CD1 4.17Å; I385-I403 HydrophobicContact CG2-CD1 3.63Å; I386-I403 HydrophobicContact CD1-CD1 4.34Å; I386-I403 HydrophobicContact CG1-CD1 3.54Å; C399-I403 WeakPolarHBondContact O-CB 3.45Å; C399-I403 WeakPolarHBondContact O-CG1 3.15Å; C399-I403 PolarHBondContact O-N 3.25Å; H400-I403 PolarHBondContact O-N 3.46Å; I403-V405 PolarHBondContact O-N 3.28Å; I403-L406 PolarHBondContact O-N 2.84Å; I403-S407 WeakPolarHBondContact O-CB 3.37Å; I403-S407 PolarHBondContact O-N 2.87Å; I403-S407 PolarHBondContact O-OG 3.11Å; I403-F433 HydrophobicContact CD1-CE1 3.93Å; I403-F433 HydrophobicContact CD1-CZ 4.4Å; I403-F433 HydrophobicContact CG1-CE1 3.62Å; I403-F433 HydrophobicContact CG1-CZ 3.59Å
404	R	97.7	Very high	97.3	Very high	110 Å²	110	57.9 Å²	57.9	42%	0.415	30%	0.297	S	S	.	.	H	α-helix	trans	-58.1	-47.7	177	176.6	-177.1	166.9	-87.5	-7.6	111.5	H400 E401 K402 S407 Q408	H400-R404 WeakPolarHBondContact O-CB 3.44Å; H400-R404 PolarHBondContact O-N 3.26Å; E401-R404 WeakPolarHBondContact O-CB 3.37Å; E401-R404 PolarHBondContact O-N 3.39Å; E401-R404 IonicContact OE1-CZ 2.66Å; E401-R404 IonicContact OE1-NH1 2.96Å; E401-R404 PolarHBondContact OE1-NH1 2.92Å; E401-R404 IonicContact OE2-NH1 2.72Å; K402-R404 VanDerWaalsContact C-N 3.29Å; K402-R404 PolarHBondContact O-N 2.97Å; R404-S407 PolarHBondContact O-N 3.33Å; R404-Q408 WeakPolarHBondContact O-CG 3.35Å; R404-Q408 PolarHBondContact O-N 3.31Å
405	V	97.8	Very high	97.4	Very high	57 Å²	57	64.8 Å²	64.8	35%	0.345	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-48.8	178.4	172.9	0	0	0	0	111.1	E401 K402 I403 S407 Q408 Q409	E401-V405 WeakPolarHBondContact O-CG2 3.38Å; E401-V405 PolarHBondContact O-N 3.32Å; K402-V405 PolarHBondContact O-N 3.49Å; I403-V405 PolarHBondContact O-N 3.28Å; V405-S407 VanDerWaalsContact C-N 3.31Å; V405-S407 PolarHBondContact O-N 3.03Å; V405-Q408 PolarHBondContact O-N 3.35Å; V405-Q409 WeakPolarHBondContact O-CG 3.43Å; V405-Q409 PolarHBondContact O-N 3Å; V405-Q409 VanDerWaalsContact O-N 3.09Å
406	L	98	Very high	97.5	Very high	16 Å²	16	70.1 Å²	70.1	8%	0.084	34%	0.339	C	S	.	.	H	α-helix	trans	-62.6	-38.6	178.3	-63.4	-176.9	0	0	0	112	K402 I403 Q409 A410 L423 R426 I427 F433	K402-L406 WeakPolarHBondContact O-CG 3.5Å; K402-L406 PolarHBondContact O-N 2.99Å; I403-L406 PolarHBondContact O-N 2.84Å; L406-Q409 WeakPolarHBondContact O-CB 3.45Å; L406-Q409 PolarHBondContact O-N 3.3Å; L406-A410 PolarHBondContact O-N 2.91Å; L406-L423 HydrophobicContact CB-CD1 3.76Å; L406-R426 HydrophobicContact CD1-CB 4.37Å; L406-R426 HydrophobicContact CD2-CB 4.24Å; L406-I427 HydrophobicContact CD1-CG1 4.03Å; L406-F433 HydrophobicContact CD1-CE2 3.7Å; L406-F433 HydrophobicContact CD1-CZ 4.37Å
407	S	97.7	Very high	97.6	Very high	21 Å²	21	70.7 Å²	70.7	15%	0.147	35%	0.347	C	S	.	.	H	α-helix	trans	-65.4	-39.2	177.5	-59.6	0	0	0	0	112	I403 R404 V405 A411	I403-S407 WeakPolarHBondContact O-CB 3.37Å; I403-S407 PolarHBondContact O-N 2.87Å; I403-S407 PolarHBondContact O-OG 3.11Å; R404-S407 PolarHBondContact O-N 3.33Å; V405-S407 VanDerWaalsContact C-N 3.31Å; V405-S407 PolarHBondContact O-N 3.03Å; S407-A411 WeakPolarHBondContact O-CB 3.3Å; S407-A411 PolarHBondContact O-N 2.93Å
408	Q	97.5	Very high	97.6	Very high	96 Å²	96	67.4 Å²	67.4	45%	0.449	35%	0.35	S	S	.	.	H	α-helix	trans	-66.6	-37.4	175.3	-74.4	176	1.3	0	0	112.2	R404 V405 S412	R404-Q408 WeakPolarHBondContact O-CG 3.35Å; R404-Q408 PolarHBondContact O-N 3.31Å; V405-Q408 PolarHBondContact O-N 3.35Å; Q408-S412 WeakPolarHBondContact O-CB 3.45Å; Q408-S412 PolarHBondContact O-N 3.07Å; Q408-S412 PolarHBondContact O-OG 3.32Å
409	Q	98.2	Very high	97.7	Very high	80 Å²	80	64.3 Å²	64.3	37%	0.374	34%	0.341	S	S	.	.	H	α-helix	trans	-63.9	-52.1	174.3	-67.7	170.4	-1.9	0	0	110.8	V405 L406 A411 S412 V413	V405-Q409 WeakPolarHBondContact O-CG 3.43Å; V405-Q409 PolarHBondContact O-N 3Å; V405-Q409 VanDerWaalsContact O-N 3.09Å; L406-Q409 WeakPolarHBondContact O-CB 3.45Å; L406-Q409 PolarHBondContact O-N 3.3Å; Q409-A411 PolarHBondContact O-N 2.9Å; Q409-S412 WeakPolarHBondContact O-CA 3.37Å; Q409-S412 WeakPolarHBondContact O-CB 3.24Å; Q409-S412 PolarHBondContact O-N 3.35Å; Q409-V413 PolarHBondContact O-N 2.96Å
410	A	98.2	Very high	97.8	Very high	0 Å²	0	69 Å²	69	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-60.5	-42.7	178.3	0	0	0	0	0	112.4	F379 L406 S412 V413 V414 D422 L423	F379-A410 HydrophobicContact CE1-CB 4.04Å; F379-A410 HydrophobicContact CZ-CB 4.17Å; L406-A410 PolarHBondContact O-N 2.91Å; A410-S412 PolarHBondContact O-N 3.34Å; A410-V413 PolarHBondContact O-N 2.86Å; A410-V414 WeakPolarHBondContact O-CG2 3.44Å; A410-V414 PolarHBondContact O-N 3.3Å; A410-D422 VanDerWaalsContact CA-OD1 3.25Å; A410-D422 WeakPolarHBondContact CA-OD1 3.33Å; A410-D422 WeakPolarHBondContact CB-OD1 3.43Å; A410-L423 HydrophobicContact CB-CB 3.83Å
411	A	97.9	Very high	97.8	Very high	29 Å²	29	65.6 Å²	65.6	24%	0.24	35%	0.35	C	S	.	.	H	α-helix	trans	-63.4	-31.5	175.1	0	0	0	0	0	112.8	F379 S407 Q409 K415	F379-A411 HydrophobicContact CE1-CB 4.44Å; F379-A411 HydrophobicContact CZ-CB 4.13Å; S407-A411 WeakPolarHBondContact O-CB 3.3Å; S407-A411 PolarHBondContact O-N 2.93Å; Q409-A411 PolarHBondContact O-N 2.9Å; A411-K415 WeakPolarHBondContact O-CB 3.09Å; A411-K415 WeakPolarHBondContact O-CG 3.5Å; A411-K415 PolarHBondContact O-N 3.38Å; A411-K415 VanDerWaalsContact O-N 3.1Å
412	S	98	Very high	97.8	Very high	60 Å²	60	63.5 Å²	63.5	42%	0.42	34%	0.342	S	S	.	.	H	α-helix	trans	-70.9	-42.5	174.9	-59.2	0	0	0	0	111.2	Q408 Q409 A410 V414 K415 Q416	Q408-S412 WeakPolarHBondContact O-CB 3.45Å; Q408-S412 PolarHBondContact O-N 3.07Å; Q408-S412 PolarHBondContact O-OG 3.32Å; Q409-S412 WeakPolarHBondContact O-CA 3.37Å; Q409-S412 WeakPolarHBondContact O-CB 3.24Å; Q409-S412 PolarHBondContact O-N 3.35Å; A410-S412 PolarHBondContact O-N 3.34Å; S412-V414 PolarHBondContact O-N 3.06Å; S412-K415 PolarHBondContact O-N 3.47Å; S412-Q416 WeakPolarHBondContact O-CA 3.2Å; S412-Q416 WeakPolarHBondContact O-CB 3.38Å; S412-Q416 WeakPolarHBondContact O-CG 3.35Å; S412-Q416 PolarHBondContact O-N 2.84Å
413	V	98.4	Very high	97.9	Very high	17 Å²	17	60.1 Å²	60.1	10%	0.103	33%	0.327	C	S	.	.	I	π-helix	trans	-56.4	-49.5	173	173.2	0	0	0	0	110.6	Q409 A410 K415 E417 G418 G419	Q409-V413 PolarHBondContact O-N 2.96Å; A410-V413 PolarHBondContact O-N 2.86Å; V413-K415 PolarHBondContact O-N 2.94Å; V413-E417 CarbonylContact O-C 3.58Å; V413-E417 WeakPolarHBondContact O-CA 3.2Å; V413-E417 VanDerWaalsContact O-CB 3.28Å; V413-E417 WeakPolarHBondContact O-CB 3.45Å; V413-E417 PolarHBondContact O-N 2.74Å; V413-G418 PolarHBondContact O-N 2.95Å; V413-G418 VanDerWaalsContact O-N 3.11Å; V413-G419 PolarHBondContact O-N 3.1Å
414	V	98	Very high	97.9	Very high	50 Å²	50	61 Å²	61	30%	0.303	33%	0.331	S	S	.	.	I	π-helix	trans	-59.5	-45.3	179.3	173.1	0	0	0	0	111.9	A410 S412 G418 N421	A410-V414 WeakPolarHBondContact O-CG2 3.44Å; A410-V414 PolarHBondContact O-N 3.3Å; S412-V414 PolarHBondContact O-N 3.06Å; V414-G418 PolarHBondContact O-N 3.3Å; V414-N421 HydrophobicContact CG2-CB 4Å
415	K	97.3	Very high	97.9	Very high	169 Å²	169	60.8 Å²	60.8	74%	0.735	34%	0.335	S	S	*	.	I	π-helix	trans	-87.3	-34.7	-171.9	-70	178.8	179	172.9	0	114.8	A411 S412 V413	A411-K415 WeakPolarHBondContact O-CB 3.09Å; A411-K415 WeakPolarHBondContact O-CG 3.5Å; A411-K415 PolarHBondContact O-N 3.38Å; A411-K415 VanDerWaalsContact O-N 3.1Å; S412-K415 PolarHBondContact O-N 3.47Å; V413-K415 PolarHBondContact O-N 2.94Å
416	Q	98	Very high	97.9	Very high	164 Å²	164	61.2 Å²	61.2	77%	0.766	33%	0.33	S	S	*	.	I	π-helix	trans	-98.2	-30.5	-174.5	-58.5	-63.2	-38.7	0	0	112.1	S412	S412-Q416 WeakPolarHBondContact O-CA 3.2Å; S412-Q416 WeakPolarHBondContact O-CB 3.38Å; S412-Q416 WeakPolarHBondContact O-CG 3.35Å; S412-Q416 PolarHBondContact O-N 2.84Å
417	E	98.2	Very high	97.8	Very high	146 Å²	146	60.4 Å²	60.4	68%	0.682	33%	0.326	S	S	*	.	I	π-helix	trans	-109	-15.6	-174.9	-53.5	174.2	-151.2	0	0	112.3	V413 G419	V413-E417 CarbonylContact O-C 3.58Å; V413-E417 WeakPolarHBondContact O-CA 3.2Å; V413-E417 VanDerWaalsContact O-CB 3.28Å; V413-E417 WeakPolarHBondContact O-CB 3.45Å; V413-E417 PolarHBondContact O-N 2.74Å; E417-G419 PolarHBondContact O-N 2.83Å
418	G	97	Very high	97.8	Very high	67 Å²	67	63.9 Å²	63.9	69%	0.691	34%	0.34	S	S	*	.			trans	69.9	21.5	-177.2	0	0	0	0	0	113.4	V413 V414	V413-G418 PolarHBondContact O-N 2.95Å; V413-G418 VanDerWaalsContact O-N 3.11Å; V414-G418 PolarHBondContact O-N 3.3Å
419	G	97.7	Very high	97.8	Very high	30 Å²	30	65.2 Å²	65.2	31%	0.309	36%	0.355	S	S	.	.			trans	-78.4	168.9	177	0	0	0	0	0	113.3	V413 E417	V413-G419 PolarHBondContact O-N 3.1Å; E417-G419 PolarHBondContact O-N 2.83Å
420	D	98.1	Very high	97.7	Very high	99 Å²	99	63.3 Å²	63.3	53%	0.529	35%	0.347	S	S	.	.			trans	-69.1	155.6	167.1	-72.7	-38.8	0	0	0	110	Q375 D422	Q375-D420 PolarHBondContact NE2-OD1 3.12Å; D420-D422 PolarHBondContact O-N 3.02Å
421	N	97.9	Very high	97.7	Very high	9 Å²	9	67 Å²	67	5%	0.048	38%	0.377	C	S	.	.			trans	-66.2	114.6	175.2	-177.1	-4.1	0	0	0	110.9	Q375 F379 V414 L423	Q375-N421 VanDerWaalsContact O-CB 3.27Å; Q375-N421 WeakPolarHBondContact O-CB 3.31Å; Q375-N421 PolarHBondContact O-ND2 2.77Å; F379-N421 WeakPolarHBondContact CD2-ND2 3.37Å; F379-N421 WeakPolarHBondContact CE2-ND2 3.48Å; F379-N421 VanDerWaalsContact CZ-ND2 3.28Å; F379-N421 WeakPolarHBondContact CZ-ND2 3.17Å; V414-N421 HydrophobicContact CG2-CB 4Å; N421-L423 VanDerWaalsContact OD1-CB 3.29Å; N421-L423 WeakPolarHBondContact OD1-CB 3.37Å; N421-L423 PolarHBondContact OD1-N 2.87Å; N421-L423 VanDerWaalsContact OD1-N 3.08Å
422	D	98.1	Very high	97.6	Very high	38 Å²	38	68.3 Å²	68.3	20%	0.203	38%	0.376	C	S	.	.			trans	-103	17.3	-175.5	71.4	-13	0	0	0	113.9	A410 D420 I424 E425 R426	A410-D422 VanDerWaalsContact CA-OD1 3.25Å; A410-D422 WeakPolarHBondContact CA-OD1 3.33Å; A410-D422 WeakPolarHBondContact CB-OD1 3.43Å; D420-D422 PolarHBondContact O-N 3.02Å; D422-I424 VanDerWaalsContact C-N 3.29Å; D422-I424 PolarHBondContact O-N 3.07Å; D422-E425 VanDerWaalsContact C-OE2 3.22Å; D422-E425 WeakPolarHBondContact CA-OE2 3.33Å; D422-E425 PolarHBondContact O-N 2.84Å; D422-R426 WeakPolarHBondContact O-CG 3.28Å; D422-R426 PolarHBondContact O-N 2.84Å; D422-R426 IonicContact OD1-CZ 3.75Å; D422-R426 IonicContact OD1-NE 2.88Å; D422-R426 PolarHBondContact OD1-NE 3.01Å; D422-R426 IonicContact OD1-NH2 3.71Å; D422-R426 IonicContact OD2-CZ 3.23Å; D422-R426 VanDerWaalsContact OD2-CZ 3.23Å; D422-R426 IonicContact OD2-NE 3.01Å; D422-R426 PolarHBondContact OD2-NE 2.85Å; D422-R426 IonicContact OD2-NH2 2.71Å; D422-R426 PolarHBondContact OD2-NH2 3.27Å
423	L	98.2	Very high	97.6	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-60.2	-37	-176.2	177.6	57.6	0	0	0	112.7	P378 F379 T382 L406 A410 N421 R426 I427	P378-L423 HydrophobicContact CB-CB 4Å; P378-L423 HydrophobicContact CB-CD2 3.96Å; P378-L423 HydrophobicContact CB-CG 4.31Å; F379-L423 HydrophobicContact CD1-CD2 3.69Å; F379-L423 HydrophobicContact CE1-CB 4.47Å; F379-L423 HydrophobicContact CE1-CD2 4Å; T382-L423 HydrophobicContact CG2-CD2 4.41Å; L406-L423 HydrophobicContact CB-CD1 3.76Å; A410-L423 HydrophobicContact CB-CB 3.83Å; N421-L423 VanDerWaalsContact OD1-CB 3.29Å; N421-L423 WeakPolarHBondContact OD1-CB 3.37Å; N421-L423 PolarHBondContact OD1-N 2.87Å; N421-L423 VanDerWaalsContact OD1-N 3.08Å; L423-R426 PolarHBondContact O-N 2.66Å; L423-I427 HydrophobicContact CD1-CD1 4.09Å; L423-I427 HydrophobicContact CD1-CG1 4.33Å; L423-I427 HydrophobicContact CG-CD1 4.08Å; L423-I427 VanDerWaalsContact O-CG1 3.3Å; L423-I427 WeakPolarHBondContact O-CG1 3.39Å; L423-I427 PolarHBondContact O-N 3.26Å
424	I	97.5	Very high	97.5	Very high	22 Å²	22	67.8 Å²	67.8	11%	0.113	37%	0.373	C	S	.	.	H	α-helix	trans	-73.6	-40.3	-177.5	-57.3	-50	0	0	0	110.6	P378 D422 R426 I427 Q428 L440 L444	P378-I424 HydrophobicContact CB-CD1 3.7Å; P378-I424 HydrophobicContact CB-CG1 3.83Å; P378-I424 HydrophobicContact CG-CD1 4.08Å; P378-I424 HydrophobicContact CG-CG1 3.71Å; D422-I424 VanDerWaalsContact C-N 3.29Å; D422-I424 PolarHBondContact O-N 3.07Å; I424-R426 VanDerWaalsContact C-N 3.29Å; I424-R426 PolarHBondContact O-N 2.98Å; I424-I427 HydrophobicContact CD1-CD1 4.44Å; I424-I427 PolarHBondContact O-N 3Å; I424-I427 VanDerWaalsContact O-N 3.16Å; I424-Q428 HydrophobicContact CG2-CG 4.49Å; I424-Q428 WeakPolarHBondContact O-CG 3.49Å; I424-Q428 PolarHBondContact O-N 3.44Å; I424-L440 HydrophobicContact CG2-CD1 4.4Å; I424-L444 HydrophobicContact CB-CD1 4.43Å; I424-L444 HydrophobicContact CD1-CD1 3.58Å; I424-L444 HydrophobicContact CD1-CD2 3.88Å; I424-L444 HydrophobicContact CD1-CG 4.31Å; I424-L444 HydrophobicContact CG1-CD1 3.65Å; I424-L444 HydrophobicContact CG1-CD2 4.49Å; I424-L444 HydrophobicContact CG2-CD1 3.9Å
425	E	97.4	Very high	97.5	Very high	106 Å²	106	68.5 Å²	68.5	50%	0.495	38%	0.379	S	S	.	.	H	α-helix	trans	-58.7	-43.5	173	-66	81.3	173.1	0	0	110.4	D422 I427 Q428 V429	D422-E425 VanDerWaalsContact C-OE2 3.22Å; D422-E425 WeakPolarHBondContact CA-OE2 3.33Å; D422-E425 PolarHBondContact O-N 2.84Å; E425-I427 PolarHBondContact O-N 3.39Å; E425-Q428 PolarHBondContact O-N 3.2Å; E425-V429 WeakPolarHBondContact O-CG2 3.42Å; E425-V429 PolarHBondContact O-N 3.22Å
426	R	97.9	Very high	97.5	Very high	66 Å²	66	60.4 Å²	60.4	25%	0.249	34%	0.344	C	S	.	.	H	α-helix	trans	-61.2	-42.3	174.1	-72	174.4	-172.8	-77.2	-16.3	112.6	L406 D422 L423 I424 V429 D430	L406-R426 HydrophobicContact CD1-CB 4.37Å; L406-R426 HydrophobicContact CD2-CB 4.24Å; D422-R426 WeakPolarHBondContact O-CG 3.28Å; D422-R426 PolarHBondContact O-N 2.84Å; D422-R426 IonicContact OD1-CZ 3.75Å; D422-R426 IonicContact OD1-NE 2.88Å; D422-R426 PolarHBondContact OD1-NE 3.01Å; D422-R426 IonicContact OD1-NH2 3.71Å; D422-R426 IonicContact OD2-CZ 3.23Å; D422-R426 VanDerWaalsContact OD2-CZ 3.23Å; D422-R426 IonicContact OD2-NE 3.01Å; D422-R426 PolarHBondContact OD2-NE 2.85Å; D422-R426 IonicContact OD2-NH2 2.71Å; D422-R426 PolarHBondContact OD2-NH2 3.27Å; L423-R426 PolarHBondContact O-N 2.66Å; I424-R426 VanDerWaalsContact C-N 3.29Å; I424-R426 PolarHBondContact O-N 2.98Å; R426-V429 WeakPolarHBondContact O-CG2 3.22Å; R426-V429 PolarHBondContact O-N 2.92Å; R426-D430 PolarHBondContact O-N 3.02Å; R426-D430 VanDerWaalsContact O-N 3.16Å
427	I	97.6	Very high	97.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-66.9	-37.3	177.2	-72	171.1	0	0	0	111.2	I385 L406 L423 I424 E425 V429 F433 H437 L440	I385-I427 HydrophobicContact CD1-CD1 3.9Å; L406-I427 HydrophobicContact CD1-CG1 4.03Å; L423-I427 HydrophobicContact CD1-CD1 4.09Å; L423-I427 HydrophobicContact CD1-CG1 4.33Å; L423-I427 HydrophobicContact CG-CD1 4.08Å; L423-I427 VanDerWaalsContact O-CG1 3.3Å; L423-I427 WeakPolarHBondContact O-CG1 3.39Å; L423-I427 PolarHBondContact O-N 3.26Å; I424-I427 HydrophobicContact CD1-CD1 4.44Å; I424-I427 PolarHBondContact O-N 3Å; I424-I427 VanDerWaalsContact O-N 3.16Å; E425-I427 PolarHBondContact O-N 3.39Å; I427-V429 VanDerWaalsContact C-N 3.33Å; I427-V429 PolarHBondContact O-N 2.86Å; I427-F433 HydrophobicContact CB-CD2 4.45Å; I427-F433 HydrophobicContact CG1-CD2 4.46Å; I427-F433 HydrophobicContact CG1-CE2 4.43Å; I427-F433 HydrophobicContact CG2-CB 3.81Å; I427-F433 HydrophobicContact CG2-CD1 4.31Å; I427-F433 HydrophobicContact CG2-CD2 4.06Å; I427-F433 HydrophobicContact CG2-CG 3.8Å; I427-H437 PolarHBondContact O-NE2 3.4Å; I427-L440 HydrophobicContact CG2-CD1 4.16Å; I427-L440 HydrophobicContact CG2-CD2 3.99Å
428	Q	97.3	Very high	97.4	Very high	94 Å²	94	54.1 Å²	54.1	44%	0.439	33%	0.327	S	S	.	.	H	α-helix	trans	-66.8	-30.5	178.3	-75.7	173.9	-19.6	0	0	113.1	I424 E425 H437 L440	I424-Q428 HydrophobicContact CG2-CG 4.49Å; I424-Q428 WeakPolarHBondContact O-CG 3.49Å; I424-Q428 PolarHBondContact O-N 3.44Å; E425-Q428 PolarHBondContact O-N 3.2Å; Q428-H437 PolarHBondContact O-CE1 2.72Å; Q428-H437 PolarHBondContact O-NE2 3.46Å; Q428-L440 HydrophobicContact CG-CD1 3.46Å; Q428-L440 VanDerWaalsContact CG-CD1 3.46Å
429	V	96.8	Very high	97.3	Very high	124 Å²	124	54.5 Å²	54.5	75%	0.752	31%	0.311	S	S	*	.	H	α-helix	trans	-91.5	-19.8	178.9	-58.5	0	0	0	0	114.1	E425 R426 I427 A431	E425-V429 WeakPolarHBondContact O-CG2 3.42Å; E425-V429 PolarHBondContact O-N 3.22Å; R426-V429 WeakPolarHBondContact O-CG2 3.22Å; R426-V429 PolarHBondContact O-N 2.92Å; I427-V429 VanDerWaalsContact C-N 3.33Å; I427-V429 PolarHBondContact O-N 2.86Å; V429-A431 PolarHBondContact O-N 3.14Å
430	D	96.6	Very high	97.2	Very high	40 Å²	40	53.1 Å²	53.1	21%	0.214	30%	0.297	C	S	.	.			trans	-79.9	112.1	174.9	-176.2	-20.2	0	0	0	110.5	K402 R426 Y432 F433	K402-D430 IonicContact NZ-OD1 3.21Å; K402-D430 PolarHBondContact NZ-OD1 3.37Å; K402-D430 IonicContact NZ-OD2 3.62Å; K402-D430 PolarHBondContact NZ-OD2 3.12Å; R426-D430 PolarHBondContact O-N 3.02Å; R426-D430 VanDerWaalsContact O-N 3.16Å; D430-Y432 PolarHBondContact O-N 3.44Å; D430-Y432 WeakPolarHBondContact OD1-CB 3.32Å; D430-Y432 PolarHBondContact OD1-N 3.22Å; D430-F433 HydrophobicContact CB-CD2 3.92Å; D430-F433 HydrophobicContact CB-CE2 4.21Å; D430-F433 PolarHBondContact O-N 2.91Å
431	A	96.9	Very high	97.1	Very high	76 Å²	76	55.1 Å²	55.1	63%	0.628	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-56.8	-20.3	-179.1	0	0	0	0	0	114.2	V429 F433 S434	V429-A431 PolarHBondContact O-N 3.14Å; A431-F433 PolarHBondContact O-N 2.96Å; A431-S434 WeakPolarHBondContact O-CB 3.4Å; A431-S434 PolarHBondContact O-N 3.42Å; A431-S434 PolarHBondContact O-OG 2.93Å
432	Y	96.9	Very high	97	Very high	57 Å²	57	61.3 Å²	61.3	22%	0.224	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-58.8	-34.2	173.3	178.6	-94	0	0	0	112.5	M389 S395 D398 C399 K402 D430 P435	M389-Y432 HydrophobicContact CE-CD1 3.98Å; M389-Y432 HydrophobicContact CE-CE1 3.64Å; M389-Y432 WeakPolarHBondContact CE-O 3.39Å; S395-Y432 PolarHBondContact O-OH 3.5Å; D398-Y432 HydrophobicContact CB-CE2 4.45Å; C399-Y432 VanDerWaalsContact CA-OH 3.26Å; C399-Y432 WeakPolarHBondContact CA-OH 3.45Å; C399-Y432 HydrophobicContact CB-CE1 3.96Å; C399-Y432 WeakPolarHBondContact CB-OH 3.36Å; C399-Y432 PolarHBondContact N-OH 3.1Å; K402-Y432 HydrophobicContact CD-CD1 3.39Å; K402-Y432 HydrophobicContact CD-CD2 3.5Å; K402-Y432 VanDerWaalsContact CD-CD2 3.5Å; K402-Y432 HydrophobicContact CD-CE1 3.74Å; K402-Y432 HydrophobicContact CD-CE2 3.82Å; K402-Y432 HydrophobicContact CD-CG 3.27Å; K402-Y432 VanDerWaalsContact CE-CD2 3.4Å; K402-Y432 VanDerWaalsContact CE-CG 3.45Å; D430-Y432 PolarHBondContact O-N 3.44Å; D430-Y432 WeakPolarHBondContact OD1-CB 3.32Å; D430-Y432 PolarHBondContact OD1-N 3.22Å; Y432-P435 WeakPolarHBondContact O-CD 3.46Å
433	F	97.8	Very high	96.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-91	6.6	-178.2	-57.7	-79.6	0	0	0	113.8	I385 M389 K402 I403 L406 I427 D430 A431 P435 I436 H437	I385-F433 HydrophobicContact CG2-CD1 4.49Å; M389-F433 HydrophobicContact CG-CD1 4.02Å; M389-F433 HydrophobicContact CG-CE1 4.5Å; M389-F433 HydrophobicContact SD-CD1 4.24Å; K402-F433 HydrophobicContact CB-CE2 4.44Å; K402-F433 HydrophobicContact CB-CZ 3.97Å; I403-F433 HydrophobicContact CD1-CE1 3.93Å; I403-F433 HydrophobicContact CD1-CZ 4.4Å; I403-F433 HydrophobicContact CG1-CE1 3.62Å; I403-F433 HydrophobicContact CG1-CZ 3.59Å; L406-F433 HydrophobicContact CD1-CE2 3.7Å; L406-F433 HydrophobicContact CD1-CZ 4.37Å; I427-F433 HydrophobicContact CB-CD2 4.45Å; I427-F433 HydrophobicContact CG1-CD2 4.46Å; I427-F433 HydrophobicContact CG1-CE2 4.43Å; I427-F433 HydrophobicContact CG2-CB 3.81Å; I427-F433 HydrophobicContact CG2-CD1 4.31Å; I427-F433 HydrophobicContact CG2-CD2 4.06Å; I427-F433 HydrophobicContact CG2-CG 3.8Å; D430-F433 HydrophobicContact CB-CD2 3.92Å; D430-F433 HydrophobicContact CB-CE2 4.21Å; D430-F433 PolarHBondContact O-N 2.91Å; A431-F433 PolarHBondContact O-N 2.96Å; F433-P435 WeakPolarHBondContact O-CD 3.33Å; F433-I436 HydrophobicContact CB-CD1 4.4Å; F433-I436 HydrophobicContact CB-CG1 4.12Å; F433-I436 HydrophobicContact CD1-CD1 4.2Å; F433-I436 WeakPolarHBondContact O-CG1 3.48Å; F433-I436 PolarHBondContact O-N 3.09Å; F433-H437 VanDerWaalsContact C-CD2 3.49Å; F433-H437 PolarHBondContact O-CD2 2.71Å; F433-H437 PolarHBondContact O-N 3.34Å
434	S	97.1	Very high	96.8	Very high	66 Å²	66	62 Å²	62	46%	0.462	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-45.6	-39	176.8	-54.7	0	0	0	0	114.5	A431 I436 H437	A431-S434 WeakPolarHBondContact O-CB 3.4Å; A431-S434 PolarHBondContact O-N 3.42Å; A431-S434 PolarHBondContact O-OG 2.93Å; S434-I436 PolarHBondContact O-N 3.02Å; S434-I436 VanDerWaalsContact O-N 3.14Å; S434-H437 PolarHBondContact O-N 3.2Å
435	P	97.6	Very high	96.8	Very high	65 Å²	65	63.7 Å²	63.7	42%	0.422	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-62.3	-19.5	179.6	-24.6	35.9	0	0	0	115.6	M389 A392 Y432 F433 Q439	M389-P435 HydrophobicContact CE-CG 4.34Å; M389-P435 HydrophobicContact SD-CB 4.31Å; M389-P435 HydrophobicContact SD-CG 4.35Å; A392-P435 HydrophobicContact CB-CB 3.75Å; Y432-P435 WeakPolarHBondContact O-CD 3.46Å; F433-P435 WeakPolarHBondContact O-CD 3.33Å; P435-Q439 PolarHBondContact O-NE2 3.44Å
436	I	97.2	Very high	96.8	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-119.1	0.5	-175.8	63.1	155.1	0	0	0	113.7	I385 A388 M389 F433 S434 S438 Q439 L440	I385-I436 HydrophobicContact CG2-CD1 3.52Å; A388-I436 HydrophobicContact CB-CG2 3.77Å; M389-I436 HydrophobicContact CG-CD1 3.93Å; M389-I436 HydrophobicContact CG-CG1 4.18Å; M389-I436 HydrophobicContact CG-CG2 4.12Å; M389-I436 HydrophobicContact SD-CB 4.36Å; M389-I436 HydrophobicContact SD-CD1 4.21Å; M389-I436 HydrophobicContact SD-CG1 3.78Å; M389-I436 HydrophobicContact SD-CG2 3.75Å; F433-I436 HydrophobicContact CB-CD1 4.4Å; F433-I436 HydrophobicContact CB-CG1 4.12Å; F433-I436 HydrophobicContact CD1-CD1 4.2Å; F433-I436 WeakPolarHBondContact O-CG1 3.48Å; F433-I436 PolarHBondContact O-N 3.09Å; S434-I436 PolarHBondContact O-N 3.02Å; S434-I436 VanDerWaalsContact O-N 3.14Å; I436-S438 VanDerWaalsContact C-N 3.26Å; I436-S438 PolarHBondContact O-N 3.25Å; I436-Q439 WeakPolarHBondContact O-CA 3.36Å; I436-Q439 WeakPolarHBondContact O-CB 3.45Å; I436-Q439 PolarHBondContact O-N 3.13Å; I436-L440 HydrophobicContact CD1-CD2 4.27Å; I436-L440 PolarHBondContact O-N 2.89Å
437	H	96.9	Very high	96.7	Very high	60 Å²	60	60.5 Å²	60.5	28%	0.278	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-54	-41.8	-177.2	-74.5	173.6	0	0	0	112.8	I427 Q428 F433 S434 Q439 L440	I427-H437 PolarHBondContact O-NE2 3.4Å; Q428-H437 PolarHBondContact O-CE1 2.72Å; Q428-H437 PolarHBondContact O-NE2 3.46Å; F433-H437 VanDerWaalsContact C-CD2 3.49Å; F433-H437 PolarHBondContact O-CD2 2.71Å; F433-H437 PolarHBondContact O-N 3.34Å; S434-H437 PolarHBondContact O-N 3.2Å; H437-Q439 PolarHBondContact O-N 3.49Å; H437-L440 PolarHBondContact O-N 3.21Å
438	S	96.2	Very high	96.7	Very high	117 Å²	117	63.5 Å²	63.5	82%	0.818	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-70.5	-11.6	177.1	59	0	0	0	0	114.5	I436	I436-S438 VanDerWaalsContact C-N 3.26Å; I436-S438 PolarHBondContact O-N 3.25Å
439	Q	96.1	Very high	96.7	Very high	75 Å²	75	59.9 Å²	59.9	35%	0.35	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-98.8	-11.2	-179.6	-59.1	176.1	54.1	0	0	112.3	P435 I436 H437 D441 H442 L443	P435-Q439 PolarHBondContact O-NE2 3.44Å; I436-Q439 WeakPolarHBondContact O-CA 3.36Å; I436-Q439 WeakPolarHBondContact O-CB 3.45Å; I436-Q439 PolarHBondContact O-N 3.13Å; H437-Q439 PolarHBondContact O-N 3.49Å; Q439-D441 PolarHBondContact O-N 2.84Å; Q439-H442 PolarHBondContact O-N 3Å; Q439-L443 HydrophobicContact CB-CD1 3.87Å; Q439-L443 HydrophobicContact CB-CG 4.11Å; Q439-L443 WeakPolarHBondContact O-CG 3.32Å; Q439-L443 PolarHBondContact O-N 3.26Å
440	L	95.9	Very high	96.8	Very high	1 Å²	1	55 Å²	55	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-57.3	-44	-170.7	-72.7	173.9	0	0	0	113.2	I424 I427 Q428 I436 H437 H442 L443 L444	I424-L440 HydrophobicContact CG2-CD1 4.4Å; I427-L440 HydrophobicContact CG2-CD1 4.16Å; I427-L440 HydrophobicContact CG2-CD2 3.99Å; Q428-L440 HydrophobicContact CG-CD1 3.46Å; Q428-L440 VanDerWaalsContact CG-CD1 3.46Å; I436-L440 HydrophobicContact CD1-CD2 4.27Å; I436-L440 PolarHBondContact O-N 2.89Å; H437-L440 PolarHBondContact O-N 3.21Å; L440-H442 VanDerWaalsContact C-N 3.28Å; L440-H442 PolarHBondContact O-N 2.63Å; L440-L443 PolarHBondContact O-N 2.8Å; L440-L444 VanDerWaalsContact O-CB 3.32Å; L440-L444 WeakPolarHBondContact O-CB 3.44Å; L440-L444 WeakPolarHBondContact O-CD1 3.46Å; L440-L444 WeakPolarHBondContact O-CG 3.08Å; L440-L444 PolarHBondContact O-N 2.65Å
441	D	95.1	Very high	96.9	Very high	141 Å²	141	56.3 Å²	56.3	75%	0.754	34%	0.344	S	S	*	.	H	α-helix	trans	-59.8	-39.5	177.8	-68.8	-28.7	0	0	0	112.1	Q439 D445	Q439-D441 PolarHBondContact O-N 2.84Å; D441-D445 PolarHBondContact O-N 3.03Å
442	H	95.9	Very high	96.9	Very high	139 Å²	139	59.2 Å²	59.2	64%	0.644	34%	0.339	S	S	*	.	H	α-helix	trans	-73.9	-41.6	177.8	180	59.4	0	0	0	112.1	Q439 L440 L444 D445	Q439-H442 PolarHBondContact O-N 3Å; L440-H442 VanDerWaalsContact C-N 3.28Å; L440-H442 PolarHBondContact O-N 2.63Å; H442-L444 PolarHBondContact O-N 2.77Å; H442-D445 WeakPolarHBondContact O-CB 3.11Å; H442-D445 PolarHBondContact O-N 3.21Å; H442-D445 VanDerWaalsContact O-N 3.15Å
443	L	96.1	Very high	97	Very high	23 Å²	23	56.7 Å²	56.7	12%	0.12	33%	0.329	C	S	.	.	H	α-helix	trans	-65.8	-19.4	177.7	-68.5	172.8	0	0	0	112.8	A388 Q439 L440 F449	A388-L443 HydrophobicContact CB-CD1 3.73Å; A388-L443 HydrophobicContact CB-CD2 4.11Å; Q439-L443 HydrophobicContact CB-CD1 3.87Å; Q439-L443 HydrophobicContact CB-CG 4.11Å; Q439-L443 WeakPolarHBondContact O-CG 3.32Å; Q439-L443 PolarHBondContact O-N 3.26Å; L440-L443 PolarHBondContact O-N 2.8Å; L443-F449 WeakPolarHBondContact O-CE2 3.29Å; L443-F449 WeakPolarHBondContact O-CZ 3.34Å
444	L	96.3	Very high	97.1	Very high	29 Å²	29	58.7 Å²	58.7	15%	0.152	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	9.6	177.5	-63.4	166.9	0	0	0	113	L377 A381 I424 L440 H442 P446	L377-L444 WeakPolarHBondContact CD2-O 3.37Å; A381-L444 HydrophobicContact CB-CD2 3.62Å; I424-L444 HydrophobicContact CB-CD1 4.43Å; I424-L444 HydrophobicContact CD1-CD1 3.58Å; I424-L444 HydrophobicContact CD1-CD2 3.88Å; I424-L444 HydrophobicContact CD1-CG 4.31Å; I424-L444 HydrophobicContact CG1-CD1 3.65Å; I424-L444 HydrophobicContact CG1-CD2 4.49Å; I424-L444 HydrophobicContact CG2-CD1 3.9Å; L440-L444 VanDerWaalsContact O-CB 3.32Å; L440-L444 WeakPolarHBondContact O-CB 3.44Å; L440-L444 WeakPolarHBondContact O-CD1 3.46Å; L440-L444 WeakPolarHBondContact O-CG 3.08Å; L440-L444 PolarHBondContact O-N 2.65Å; H442-L444 PolarHBondContact O-N 2.77Å; L444-P446 WeakPolarHBondContact O-CD 3.43Å; L444-P446 VanDerWaalsContact O-N 3.14Å
445	D	97.1	Very high	97.1	Very high	59 Å²	59	60.7 Å²	60.7	32%	0.316	35%	0.346	S	S	.	.			trans	-64.5	113	175.8	174.8	10.7	0	0	0	109.9	D441 H442 S447 S448 F449	D441-D445 PolarHBondContact O-N 3.03Å; H442-D445 WeakPolarHBondContact O-CB 3.11Å; H442-D445 PolarHBondContact O-N 3.21Å; H442-D445 VanDerWaalsContact O-N 3.15Å; D445-S447 VanDerWaalsContact CG-OG 3.22Å; D445-S447 PolarHBondContact O-N 3.49Å; D445-S447 WeakPolarHBondContact OD1-CB 3.07Å; D445-S447 PolarHBondContact OD1-N 3.14Å; D445-S447 PolarHBondContact OD1-OG 3.4Å; D445-S447 PolarHBondContact OD2-OG 2.84Å; D445-S448 PolarHBondContact O-N 3.43Å; D445-S448 VanDerWaalsContact O-N 3.08Å; D445-S448 PolarHBondContact O-OG 3.14Å; D445-F449 WeakPolarHBondContact O-CD2 3.4Å
446	P	97.7	Very high	97.2	Very high	40 Å²	40	61.3 Å²	61.3	26%	0.26	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-56.3	-28.6	-178.5	-26.1	36.5	0	0	0	113.6	P153 L165 I373 L377 L444 S448 F449	P153-P446 HydrophobicContact CB-CB 4.04Å; P153-P446 HydrophobicContact CG-CB 4.19Å; L165-P446 HydrophobicContact CD1-CB 3.81Å; I373-P446 HydrophobicContact CG2-CB 4.03Å; I373-P446 HydrophobicContact CG2-CG 3.85Å; L377-P446 HydrophobicContact CD2-CB 4.35Å; L377-P446 HydrophobicContact CD2-CG 3.99Å; L444-P446 WeakPolarHBondContact O-CD 3.43Å; L444-P446 VanDerWaalsContact O-N 3.14Å; P446-S448 PolarHBondContact O-N 3.38Å; P446-F449 PolarHBondContact O-N 3.34Å; P446-F449 VanDerWaalsContact O-N 3.16Å
447	S	96.7	Very high	97.3	Very high	64 Å²	64	61.4 Å²	61.4	45%	0.448	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-59.4	-35.9	-178.6	87.1	0	0	0	0	111.6	D445 F449 T450	D445-S447 VanDerWaalsContact CG-OG 3.22Å; D445-S447 PolarHBondContact O-N 3.49Å; D445-S447 WeakPolarHBondContact OD1-CB 3.07Å; D445-S447 PolarHBondContact OD1-N 3.14Å; D445-S447 PolarHBondContact OD1-OG 3.4Å; D445-S447 PolarHBondContact OD2-OG 2.84Å; S447-F449 VanDerWaalsContact C-N 3.32Å; S447-F449 PolarHBondContact O-N 3.45Å; S447-T450 PolarHBondContact O-N 3.22Å; S447-T450 PolarHBondContact O-OG1 2.77Å
448	S	96.8	Very high	97.4	Very high	64 Å²	64	64 Å²	64	45%	0.448	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-73.5	-18.8	-179	72.5	0	0	0	0	114.2	D445 P446	D445-S448 PolarHBondContact O-N 3.43Å; D445-S448 VanDerWaalsContact O-N 3.08Å; D445-S448 PolarHBondContact O-OG 3.14Å; P446-S448 PolarHBondContact O-N 3.38Å
449	F	98.1	Very high	97.5	Very high	18 Å²	18	65.2 Å²	65.2	8%	0.079	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-91.7	-3.1	-179.1	-72.5	-99.4	0	0	0	113.7	L165 L377 A381 N384 L443 D445 P446 S447 G451	L165-F449 HydrophobicContact CB-CB 4.09Å; L165-F449 HydrophobicContact CD1-CB 3.81Å; L165-F449 HydrophobicContact CG-CB 3.86Å; L377-F449 HydrophobicContact CD1-CB 4.2Å; L377-F449 HydrophobicContact CD1-CD1 3.77Å; L377-F449 HydrophobicContact CD1-CD2 3.83Å; L377-F449 HydrophobicContact CD1-CE1 4.04Å; L377-F449 HydrophobicContact CD1-CE2 4.1Å; L377-F449 HydrophobicContact CD1-CG 3.67Å; L377-F449 HydrophobicContact CD1-CZ 4.2Å; L377-F449 HydrophobicContact CD2-CD2 4.29Å; L377-F449 HydrophobicContact CD2-CE2 4.36Å; L377-F449 HydrophobicContact CG-CD2 4.47Å; L377-F449 HydrophobicContact CG-CE2 4.4Å; A381-F449 HydrophobicContact CB-CE1 4.01Å; A381-F449 HydrophobicContact CB-CZ 3.56Å; N384-F449 WeakPolarHBondContact ND2-CZ 3.37Å; L443-F449 WeakPolarHBondContact O-CE2 3.29Å; L443-F449 WeakPolarHBondContact O-CZ 3.34Å; D445-F449 WeakPolarHBondContact O-CD2 3.4Å; P446-F449 PolarHBondContact O-N 3.34Å; P446-F449 VanDerWaalsContact O-N 3.16Å; S447-F449 VanDerWaalsContact C-N 3.32Å; S447-F449 PolarHBondContact O-N 3.45Å; F449-G451 VanDerWaalsContact C-N 3.28Å; F449-G451 PolarHBondContact O-N 2.84Å
450	T	98.4	Very high	97.6	Very high	21 Å²	21	62.7 Å²	62.7	13%	0.129	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-84.5	0.5	-177.9	63.6	0	0	0	0	114.1	P153 L165 T167 S447 R452 A453	P153-T450 HydrophobicContact CB-CG2 3.77Å; P153-T450 HydrophobicContact CG-CG2 4.01Å; L165-T450 HydrophobicContact CB-CG2 4.27Å; T167-T450 HydrophobicContact CG2-CG2 3.84Å; S447-T450 PolarHBondContact O-N 3.22Å; S447-T450 PolarHBondContact O-OG1 2.77Å; T450-R452 PolarHBondContact O-N 2.95Å; T450-A453 WeakPolarHBondContact O-CB 3.42Å; T450-A453 PolarHBondContact O-N 3.5Å
451	G	97.5	Very high	97.8	Very high	67 Å²	67	62.7 Å²	62.7	69%	0.691	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	-123.1	178.7	0	0	0	0	0	112.1	F449	F449-G451 VanDerWaalsContact C-N 3.28Å; F449-G451 PolarHBondContact O-N 2.84Å
452	R	98.4	Very high	97.9	Very high	138 Å²	138	61 Å²	61	52%	0.521	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	15.9	-179.8	-60.8	-167.7	64.8	-133.1	-6	114.1	T450 S454 Q455 Q456	T450-R452 PolarHBondContact O-N 2.95Å; R452-S454 PolarHBondContact O-N 3.18Å; R452-Q455 VanDerWaalsContact NE-OE1 3.17Å; R452-Q455 PolarHBondContact O-N 3.21Å; R452-Q456 HydrophobicContact CB-CG 4.24Å; R452-Q456 WeakPolarHBondContact O-CB 3.33Å; R452-Q456 WeakPolarHBondContact O-CG 3.45Å; R452-Q456 PolarHBondContact O-N 2.89Å
453	A	98.7	Very high	98.1	Very high	3 Å²	3	59.6 Å²	59.6	3%	0.025	31%	0.311	C	S	.	.	H	α-helix	trans	-54	-51.9	-167.6	0	0	0	0	0	113.9	T167 K170 T450 Q455 Q456 V457	T167-A453 HydrophobicContact CG2-CB 3.7Å; K170-A453 HydrophobicContact CB-CB 3.98Å; K170-A453 HydrophobicContact CG-CB 4.25Å; T450-A453 WeakPolarHBondContact O-CB 3.42Å; T450-A453 PolarHBondContact O-N 3.5Å; A453-Q455 PolarHBondContact O-N 3.47Å; A453-Q456 WeakPolarHBondContact O-CB 3.28Å; A453-Q456 PolarHBondContact O-N 2.8Å; A453-V457 WeakPolarHBondContact O-CG2 3.31Å; A453-V457 PolarHBondContact O-N 3Å
454	S	98.6	Very high	98.2	Very high	42 Å²	42	63.5 Å²	63.5	29%	0.294	33%	0.329	S	S	.	.	H	α-helix	trans	-65.6	-39.6	-178.6	56.5	0	0	0	0	113	A150 R452 Q456 V457 Q458	A150-S454 WeakPolarHBondContact O-CB 3.31Å; R452-S454 PolarHBondContact O-N 3.18Å; S454-Q456 VanDerWaalsContact C-N 3.35Å; S454-V457 WeakPolarHBondContact O-CB 3.42Å; S454-V457 PolarHBondContact O-N 3.49Å; S454-Q458 PolarHBondContact O-N 2.94Å; S454-Q458 VanDerWaalsContact O-N 3.08Å
455	Q	98.7	Very high	98.3	Very high	108 Å²	108	62.1 Å²	62.1	51%	0.505	32%	0.322	S	S	.	.	H	α-helix	trans	-64.5	-39.2	174.7	-65.4	-179.3	-0.3	0	0	111.9	R452 A453 Q458 R459	R452-Q455 VanDerWaalsContact NE-OE1 3.17Å; R452-Q455 PolarHBondContact O-N 3.21Å; A453-Q455 PolarHBondContact O-N 3.47Å; Q455-Q458 PolarHBondContact O-N 2.96Å; Q455-R459 WeakPolarHBondContact O-CB 2.88Å; Q455-R459 PolarHBondContact O-N 3.05Å
456	Q	98.9	Very high	98.4	Very high	79 Å²	79	63 Å²	63	37%	0.369	32%	0.321	S	S	.	.	H	α-helix	trans	-64.1	-41	175.6	-74	172.6	-16.8	0	0	111.4	K170 R452 A453 S454 F460	K170-Q456 HydrophobicContact CD-CB 4.35Å; R452-Q456 HydrophobicContact CB-CG 4.24Å; R452-Q456 WeakPolarHBondContact O-CB 3.33Å; R452-Q456 WeakPolarHBondContact O-CG 3.45Å; R452-Q456 PolarHBondContact O-N 2.89Å; A453-Q456 WeakPolarHBondContact O-CB 3.28Å; A453-Q456 PolarHBondContact O-N 2.8Å; S454-Q456 VanDerWaalsContact C-N 3.35Å; Q456-F460 WeakPolarHBondContact O-CB 3.35Å; Q456-F460 PolarHBondContact O-N 2.74Å
457	V	98.9	Very high	98.5	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.006	33%	0.332	C	S	.	.	H	α-helix	trans	-57.8	-53.8	174.4	172.8	0	0	0	0	110.1	A146 A150 K170 A453 S454 R459 F460 L461	A146-V457 HydrophobicContact CB-CG1 4.43Å; A150-V457 HydrophobicContact CB-CB 4.14Å; A150-V457 HydrophobicContact CB-CG1 3.84Å; A150-V457 HydrophobicContact CB-CG2 4.43Å; K170-V457 HydrophobicContact CB-CG2 3.95Å; A453-V457 WeakPolarHBondContact O-CG2 3.31Å; A453-V457 PolarHBondContact O-N 3Å; S454-V457 WeakPolarHBondContact O-CB 3.42Å; S454-V457 PolarHBondContact O-N 3.49Å; V457-R459 PolarHBondContact O-N 3.12Å; V457-F460 PolarHBondContact O-N 3.03Å; V457-L461 HydrophobicContact CG1-CD1 3.84Å; V457-L461 HydrophobicContact CG1-CG 4.28Å; V457-L461 WeakPolarHBondContact O-CB 3.22Å; V457-L461 VanDerWaalsContact O-CG 3.25Å; V457-L461 WeakPolarHBondContact O-CG 3.17Å; V457-L461 PolarHBondContact O-N 3.42Å
458	Q	98.8	Very high	98.6	Very high	114 Å²	114	63.8 Å²	63.8	53%	0.533	32%	0.322	S	S	.	.	H	α-helix	trans	-57.5	-51.8	-178.4	-177.2	175.9	13.4	0	0	111.8	S454 Q455 F460 L461 E462	S454-Q458 PolarHBondContact O-N 2.94Å; S454-Q458 VanDerWaalsContact O-N 3.08Å; Q455-Q458 PolarHBondContact O-N 2.96Å; Q458-F460 PolarHBondContact O-N 3.17Å; Q458-L461 PolarHBondContact O-N 3.47Å; Q458-E462 HydrophobicContact CG-CG 4.48Å; Q458-E462 WeakPolarHBondContact CG-OE1 3.46Å; Q458-E462 PolarHBondContact NE2-OE1 3.04Å; Q458-E462 WeakPolarHBondContact O-CB 2.92Å; Q458-E462 WeakPolarHBondContact O-CG 3.37Å; Q458-E462 PolarHBondContact O-N 3.48Å
459	R	98.8	Very high	98.7	Very high	143 Å²	143	61.5 Å²	61.5	54%	0.54	31%	0.305	S	S	.	.	H	α-helix	trans	-59.7	-46.8	-178	-171.1	178.7	-178.6	-158.1	-12.1	112.3	Q455 V457 E462 E463	Q455-R459 WeakPolarHBondContact O-CB 2.88Å; Q455-R459 PolarHBondContact O-N 3.05Å; V457-R459 PolarHBondContact O-N 3.12Å; R459-E462 PolarHBondContact O-N 2.95Å; R459-E463 HydrophobicContact CG-CG 4.29Å; R459-E463 WeakPolarHBondContact CG-OE1 3.47Å; R459-E463 IonicContact CZ-OE1 3.34Å; R459-E463 IonicContact CZ-OE2 3.08Å; R459-E463 IonicContact NE-OE1 3Å; R459-E463 PolarHBondContact NE-OE1 2.99Å; R459-E463 IonicContact NE-OE2 2.8Å; R459-E463 PolarHBondContact NE-OE2 3.36Å; R459-E463 IonicContact NH2-OE1 2.72Å; R459-E463 IonicContact NH2-OE2 2.77Å; R459-E463 PolarHBondContact NH2-OE2 3.5Å; R459-E463 VanDerWaalsContact NH2-OE2 3.11Å; R459-E463 WeakPolarHBondContact O-CB 3.3Å; R459-E463 PolarHBondContact O-N 2.98Å
460	F	98.9	Very high	98.7	Very high	22 Å²	22	67 Å²	67	10%	0.096	33%	0.329	C	S	.	.	H	α-helix	trans	-62.7	-45.2	179.3	170.3	-111.7	0	0	0	112.1	C173 I176 Q177 Q456 V457 Q458 E462 E464 V465	C173-F460 HydrophobicContact CB-CD1 3.83Å; C173-F460 HydrophobicContact CB-CE1 3.98Å; I176-F460 HydrophobicContact CB-CE1 3.93Å; I176-F460 HydrophobicContact CB-CZ 4.34Å; I176-F460 HydrophobicContact CG2-CE1 3.62Å; I176-F460 HydrophobicContact CG2-CZ 3.87Å; Q177-F460 HydrophobicContact CB-CE2 4.24Å; Q177-F460 HydrophobicContact CB-CZ 3.87Å; Q177-F460 HydrophobicContact CG-CE2 4.28Å; Q177-F460 HydrophobicContact CG-CZ 4.39Å; Q456-F460 WeakPolarHBondContact O-CB 3.35Å; Q456-F460 PolarHBondContact O-N 2.74Å; V457-F460 PolarHBondContact O-N 3.03Å; Q458-F460 PolarHBondContact O-N 3.17Å; F460-E462 VanDerWaalsContact C-N 3.34Å; F460-E462 PolarHBondContact O-N 3.37Å; F460-E464 HydrophobicContact CD2-CB 3.9Å; F460-E464 HydrophobicContact CD2-CG 4.28Å; F460-E464 WeakPolarHBondContact CD2-OE2 3.26Å; F460-E464 HydrophobicContact CE2-CB 3.93Å; F460-E464 WeakPolarHBondContact CE2-OE2 3.48Å; F460-E464 WeakPolarHBondContact O-CB 3.39Å; F460-E464 PolarHBondContact O-N 3.2Å; F460-V465 HydrophobicContact CD1-CG2 3.88Å; F460-V465 HydrophobicContact CD2-CG2 4.48Å; F460-V465 HydrophobicContact CE1-CG2 3.4Å; F460-V465 VanDerWaalsContact CE1-CG2 3.4Å; F460-V465 HydrophobicContact CE2-CG2 4.06Å; F460-V465 HydrophobicContact CG-CG2 4.4Å; F460-V465 HydrophobicContact CZ-CG2 3.5Å; F460-V465 PolarHBondContact O-N 3.33Å
461	L	98.9	Very high	98.7	Very high	2 Å²	2	70.7 Å²	70.7	1%	0.01	35%	0.353	C	S	.	.	I	π-helix	trans	-62.3	-42.4	179	-67.7	-177.4	0	0	0	111.7	A143 A146 K147 I176 V457 Q458 V465 Y466	A143-L461 HydrophobicContact CB-CD2 3.81Å; A146-L461 HydrophobicContact CB-CD1 4.48Å; K147-L461 HydrophobicContact CB-CD1 3.95Å; I176-L461 HydrophobicContact CD1-CD2 4.2Å; V457-L461 HydrophobicContact CG1-CD1 3.84Å; V457-L461 HydrophobicContact CG1-CG 4.28Å; V457-L461 WeakPolarHBondContact O-CB 3.22Å; V457-L461 VanDerWaalsContact O-CG 3.25Å; V457-L461 WeakPolarHBondContact O-CG 3.17Å; V457-L461 PolarHBondContact O-N 3.42Å; Q458-L461 PolarHBondContact O-N 3.47Å; L461-V465 HydrophobicContact CD2-CB 4.17Å; L461-V465 HydrophobicContact CD2-CG1 4.38Å; L461-V465 HydrophobicContact CD2-CG2 3.94Å; L461-V465 PolarHBondContact O-N 2.99Å; L461-Y466 HydrophobicContact CB-CE1 4.35Å; L461-Y466 HydrophobicContact CB-CE2 3.88Å; L461-Y466 WeakPolarHBondContact O-CD2 3.48Å; L461-Y466 PolarHBondContact O-N 3.23Å
462	E	98.8	Very high	98.8	Very high	104 Å²	104	68.9 Å²	68.9	49%	0.486	33%	0.326	S	S	.	.	I	π-helix	trans	-72.7	-46.3	-179.1	-70.8	172.3	-172.3	0	0	113.6	Q458 R459 F460 Y466 P467	Q458-E462 HydrophobicContact CG-CG 4.48Å; Q458-E462 WeakPolarHBondContact CG-OE1 3.46Å; Q458-E462 PolarHBondContact NE2-OE1 3.04Å; Q458-E462 WeakPolarHBondContact O-CB 2.92Å; Q458-E462 WeakPolarHBondContact O-CG 3.37Å; Q458-E462 PolarHBondContact O-N 3.48Å; R459-E462 PolarHBondContact O-N 2.95Å; F460-E462 VanDerWaalsContact C-N 3.34Å; F460-E462 PolarHBondContact O-N 3.37Å; E462-Y466 HydrophobicContact CG-CD2 4.35Å; E462-Y466 HydrophobicContact CG-CE2 4.14Å; E462-P467 WeakPolarHBondContact O-CD 3.48Å
463	E	98.8	Very high	98.7	Very high	110 Å²	110	68 Å²	68	51%	0.514	33%	0.327	S	S	.	.	I	π-helix	trans	-83	-34.6	-174.1	-69.9	-179.7	-154.2	0	0	113.2	R459	R459-E463 HydrophobicContact CG-CG 4.29Å; R459-E463 WeakPolarHBondContact CG-OE1 3.47Å; R459-E463 IonicContact CZ-OE1 3.34Å; R459-E463 IonicContact CZ-OE2 3.08Å; R459-E463 IonicContact NE-OE1 3Å; R459-E463 PolarHBondContact NE-OE1 2.99Å; R459-E463 IonicContact NE-OE2 2.8Å; R459-E463 PolarHBondContact NE-OE2 3.36Å; R459-E463 IonicContact NH2-OE1 2.72Å; R459-E463 IonicContact NH2-OE2 2.77Å; R459-E463 PolarHBondContact NH2-OE2 3.5Å; R459-E463 VanDerWaalsContact NH2-OE2 3.11Å; R459-E463 WeakPolarHBondContact O-CB 3.3Å; R459-E463 PolarHBondContact O-N 2.98Å
464	E	98.8	Very high	98.7	Very high	105 Å²	105	73.3 Å²	73.3	49%	0.491	36%	0.364	S	S	.	.	I	π-helix	trans	-117.6	-32.9	-168.3	-62.9	-177.9	-150.6	0	0	113.9	F460 L468	F460-E464 HydrophobicContact CD2-CB 3.9Å; F460-E464 HydrophobicContact CD2-CG 4.28Å; F460-E464 WeakPolarHBondContact CD2-OE2 3.26Å; F460-E464 HydrophobicContact CE2-CB 3.93Å; F460-E464 WeakPolarHBondContact CE2-OE2 3.48Å; F460-E464 WeakPolarHBondContact O-CB 3.39Å; F460-E464 PolarHBondContact O-N 3.2Å; E464-L468 WeakPolarHBondContact O-CD1 3.28Å; E464-L468 WeakPolarHBondContact O-CG 3.5Å
465	V	98.9	Very high	98.7	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.366	C	S	.	.	I	π-helix	trans	-91.5	-59.1	-173.1	-176.1	0	0	0	0	112.6	I139 A143 I176 F460 L461 P467 L468 L469	I139-V465 HydrophobicContact CG2-CG1 3.63Å; A143-V465 HydrophobicContact CB-CG1 4.25Å; I176-V465 HydrophobicContact CG2-CG1 4.1Å; I176-V465 HydrophobicContact CG2-CG2 3.62Å; F460-V465 HydrophobicContact CD1-CG2 3.88Å; F460-V465 HydrophobicContact CD2-CG2 4.48Å; F460-V465 HydrophobicContact CE1-CG2 3.4Å; F460-V465 VanDerWaalsContact CE1-CG2 3.4Å; F460-V465 HydrophobicContact CE2-CG2 4.06Å; F460-V465 HydrophobicContact CG-CG2 4.4Å; F460-V465 HydrophobicContact CZ-CG2 3.5Å; F460-V465 PolarHBondContact O-N 3.33Å; L461-V465 HydrophobicContact CD2-CB 4.17Å; L461-V465 HydrophobicContact CD2-CG1 4.38Å; L461-V465 HydrophobicContact CD2-CG2 3.94Å; L461-V465 PolarHBondContact O-N 2.99Å; V465-P467 VanDerWaalsContact C-CD 3.44Å; V465-P467 VanDerWaalsContact C-N 3.33Å; V465-L468 WeakPolarHBondContact O-CB 3.46Å; V465-L468 PolarHBondContact O-N 3.21Å; V465-L469 HydrophobicContact CG1-CD1 3.97Å; V465-L469 HydrophobicContact CG1-CG 4.3Å; V465-L469 PolarHBondContact O-N 3.39Å
466	Y	98.8	Very high	98.6	Very high	78 Å²	78	69.6 Å²	69.6	31%	0.306	35%	0.346	S	S	.	.	H	α-helix	trans	-58.1	-36.3	-175.6	-58.6	-36.8	0	0	0	114	A143 L461 E462 L468 L469 K470	A143-Y466 HydrophobicContact CB-CE1 4.44Å; L461-Y466 HydrophobicContact CB-CE1 4.35Å; L461-Y466 HydrophobicContact CB-CE2 3.88Å; L461-Y466 WeakPolarHBondContact O-CD2 3.48Å; L461-Y466 PolarHBondContact O-N 3.23Å; E462-Y466 HydrophobicContact CG-CD2 4.35Å; E462-Y466 HydrophobicContact CG-CE2 4.14Å; Y466-L468 VanDerWaalsContact C-N 3.32Å; Y466-L468 PolarHBondContact O-N 2.87Å; Y466-L469 PolarHBondContact O-N 2.89Å; Y466-K470 PolarHBondContact O-N 3.4Å; Y466-K470 VanDerWaalsContact O-N 3.14Å
467	P	98.8	Very high	98.6	Very high	75 Å²	75	75.1 Å²	75.1	49%	0.487	37%	0.369	S	S	.	.	H	α-helix	trans	-58.8	-39.4	173.4	-27.4	37.7	0	0	0	113.5	E462 V465 L469	E462-P467 WeakPolarHBondContact O-CD 3.48Å; V465-P467 VanDerWaalsContact C-CD 3.44Å; V465-P467 VanDerWaalsContact C-N 3.33Å; P467-L469 VanDerWaalsContact C-N 3.33Å; P467-L469 PolarHBondContact O-N 2.98Å
468	L	98.7	Very high	98.5	Very high	45 Å²	45	78.9 Å²	78.9	24%	0.236	39%	0.392	C	S	.	.	H	α-helix	trans	-70.5	-29	178.3	-65.1	177.4	0	0	0	112.9	C180 L183 Q184 E464 V465 Y466 P471	C180-L468 HydrophobicContact CB-CD1 3.83Å; L183-L468 HydrophobicContact CD2-CB 4.18Å; Q184-L468 HydrophobicContact CG-CD1 4.12Å; Q184-L468 HydrophobicContact CG-CD2 3.98Å; E464-L468 WeakPolarHBondContact O-CD1 3.28Å; E464-L468 WeakPolarHBondContact O-CG 3.5Å; V465-L468 WeakPolarHBondContact O-CB 3.46Å; V465-L468 PolarHBondContact O-N 3.21Å; Y466-L468 VanDerWaalsContact C-N 3.32Å; Y466-L468 PolarHBondContact O-N 2.87Å; L468-P471 WeakPolarHBondContact O-CD 3.33Å
469	L	98.8	Very high	98.3	Very high	16 Å²	16	81.3 Å²	81.3	8%	0.084	40%	0.401	C	S	.	.	H	α-helix	trans	-82.2	-22	-179.6	-63.1	-175.5	0	0	0	113.5	A136 I139 V465 Y466 P467 P471 Y472 M476	A136-L469 HydrophobicContact CB-CD2 4.07Å; A136-L469 WeakPolarHBondContact O-CD2 3.37Å; I139-L469 HydrophobicContact CB-CD2 4.01Å; I139-L469 HydrophobicContact CG2-CD1 4.17Å; I139-L469 HydrophobicContact CG2-CD2 3.76Å; I139-L469 HydrophobicContact CG2-CG 4.24Å; V465-L469 HydrophobicContact CG1-CD1 3.97Å; V465-L469 HydrophobicContact CG1-CG 4.3Å; V465-L469 PolarHBondContact O-N 3.39Å; Y466-L469 PolarHBondContact O-N 2.89Å; P467-L469 VanDerWaalsContact C-N 3.33Å; P467-L469 PolarHBondContact O-N 2.98Å; L469-P471 VanDerWaalsContact C-CD 3.43Å; L469-Y472 PolarHBondContact O-N 3.23Å; L469-M476 HydrophobicContact CB-CE 4.23Å; L469-M476 HydrophobicContact CD2-CE 4.06Å
470	K	98.7	Very high	98	Very high	135 Å²	135	74.9 Å²	74.9	59%	0.587	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-51.8	-42.4	-174.9	-172.2	61.8	175.6	173.2	0	114.2	Y466 Y472 E473	Y466-K470 PolarHBondContact O-N 3.4Å; Y466-K470 VanDerWaalsContact O-N 3.14Å; K470-Y472 PolarHBondContact O-N 3.17Å; K470-Y472 VanDerWaalsContact O-N 3.15Å; K470-E473 WeakPolarHBondContact CE-OE2 3.47Å; K470-E473 IonicContact NZ-OE2 2.82Å; K470-E473 PolarHBondContact NZ-OE2 3.23Å; K470-E473 PolarHBondContact O-N 3.35Å
471	P	98.6	Very high	97.5	Very high	98 Å²	98	82 Å²	82	64%	0.636	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-64.5	-16.6	178.2	-22.8	35.7	0	0	0	114.9	L468 L469	L468-P471 WeakPolarHBondContact O-CD 3.33Å; L469-P471 VanDerWaalsContact C-CD 3.43Å
472	Y	98.7	Very high	97.1	Very high	29 Å²	29	84.3 Å²	84.3	11%	0.114	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-107.8	7.2	-173.8	-56.9	-78.5	0	0	0	113.1	L132 P133 A136 L183 L469 K470 S474 V475 M476	L132-Y472 HydrophobicContact CB-CE1 3.98Å; P133-Y472 HydrophobicContact CB-CD1 4.24Å; A136-Y472 HydrophobicContact CB-CD1 4.23Å; A136-Y472 HydrophobicContact CB-CD2 3.59Å; A136-Y472 HydrophobicContact CB-CE2 4.15Å; A136-Y472 HydrophobicContact CB-CG 3.63Å; L183-Y472 HydrophobicContact CD1-CE2 4.29Å; L183-Y472 HydrophobicContact CD2-CE2 4.4Å; L469-Y472 PolarHBondContact O-N 3.23Å; K470-Y472 PolarHBondContact O-N 3.17Å; K470-Y472 VanDerWaalsContact O-N 3.15Å; Y472-S474 PolarHBondContact O-N 3.1Å; Y472-V475 WeakPolarHBondContact O-CG2 3.24Å; Y472-V475 PolarHBondContact O-N 2.97Å; Y472-M476 WeakPolarHBondContact O-CG 3.48Å; Y472-M476 PolarHBondContact O-N 2.87Å
473	E	98	Very high	96.4	Very high	119 Å²	119	85.5 Å²	85.5	56%	0.556	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-53.6	-39.4	-174.8	-171.9	175	176.9	0	0	113	K470 V475 M476	K470-E473 WeakPolarHBondContact CE-OE2 3.47Å; K470-E473 IonicContact NZ-OE2 2.82Å; K470-E473 PolarHBondContact NZ-OE2 3.23Å; K470-E473 PolarHBondContact O-N 3.35Å; E473-V475 PolarHBondContact O-N 3.41Å; E473-M476 PolarHBondContact O-N 3.22Å
474	S	98.2	Very high	95.7	Very high	115 Å²	115	84 Å²	84	80%	0.804	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-65.5	-20.2	-179.3	59	0	0	0	0	114.4	Y472	Y472-S474 PolarHBondContact O-N 3.1Å
475	V	97.9	Very high	95.6	Very high	53 Å²	53	82.9 Å²	82.9	32%	0.321	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-112.8	11	-177	-62.5	0	0	0	0	113.2	P133 R137 Y472 E473 K477	P133-V475 HydrophobicContact CB-CG2 3.86Å; R137-V475 WeakPolarHBondContact CD-O 3.37Å; R137-V475 PolarHBondContact NH1-O 3.3Å; Y472-V475 WeakPolarHBondContact O-CG2 3.24Å; Y472-V475 PolarHBondContact O-N 2.97Å; E473-V475 PolarHBondContact O-N 3.41Å; V475-K477 PolarHBondContact O-N 3.32Å
476	M	97.8	Very high	95.4	Very high	19 Å²	19	87.3 Å²	87.3	9%	0.094	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-21.9	-175.9	-78.1	-62.7	165.8	0	0	114.8	A136 R137 S140 R141 L469 Y472 E473	A136-M476 HydrophobicContact CB-CE 3.9Å; R137-M476 HydrophobicContact CG-SD 3.93Å; S140-M476 VanDerWaalsContact CB-SD 3.53Å; R141-M476 PolarHBondContact NH1-O 3.46Å; R141-M476 PolarHBondContact NH2-O 2.97Å; L469-M476 HydrophobicContact CB-CE 4.23Å; L469-M476 HydrophobicContact CD2-CE 4.06Å; Y472-M476 WeakPolarHBondContact O-CG 3.48Å; Y472-M476 PolarHBondContact O-N 2.87Å; E473-M476 PolarHBondContact O-N 3.22Å
477	K	97.2	Very high	95.2	Very high	195 Å²	195	87.8 Å²	87.8	85%	0.848	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-7.4	-173.5	-61	-61	179.7	-174.1	0	114.5	V475 K479	V475-K477 PolarHBondContact O-N 3.32Å; K477-K479 PolarHBondContact O-N 3.48Å
478	V	96.9	Very high	95	Very high	80 Å²	80	88.5 Å²	88.5	49%	0.485	46%	0.464	S	S	.	.			trans	-66.1	123.9	175.2	-176.4	0	0	0	0	109.4	R137 R141 Q356	R137-V478 VanDerWaalsContact CD-O 3.31Å; R137-V478 WeakPolarHBondContact CD-O 3.46Å; R141-V478 PolarHBondContact NH2-O 3.25Å; Q356-V478 PolarHBondContact NE2-O 3.01Å
479	K	94.6	Very high	94.8	Very high	165 Å²	165	91.3 Å²	91.3	72%	0.717	48%	0.478	S	S	*	.			trans	-84	154.5	175.4	-69.5	-167.8	173.6	-172	0	111.3	K477	K477-K479 PolarHBondContact O-N 3.48Å
480	A	93.2	Very high	94.5	Very high	8 Å²	8	96.3 Å²	96.3	7%	0.066	51%	0.505	C	S	.	.			trans	-94.2	112.5	173.8	0	0	0	0	0	111.2	N353 Q356 N357 E360	N353-A480 WeakPolarHBondContact O-CB 3.34Å; Q356-A480 HydrophobicContact CB-CB 3.71Å; Q356-A480 HydrophobicContact CG-CB 3.68Å; N357-A480 HydrophobicContact CB-CB 3.91Å; N357-A480 PolarHBondContact ND2-O 2.88Å; E360-A480 PolarHBondContact OE2-N 2.85Å; E360-A480 VanDerWaalsContact OE2-N 3.1Å
481	E	89.5	Confident	94.2	Very high	171 Å²	171	93.5 Å²	93.5	80%	0.799	50%	0.499	S	S	*	.			trans	-90	140.1	174.7	-62.8	-174.3	174.4	0	0	110.8
482	L	89.9	Confident	93.8	Very high	51 Å²	51	93.2 Å²	93.2	27%	0.267	49%	0.488	S	S	.	.			trans	-122.2	127.7	170.8	-67.6	180	0	0	0	108.9	R300 T354 N357	R300-L482 HydrophobicContact CG-CD1 4.25Å; T354-L482 HydrophobicContact CG2-CD1 4.22Å; N357-L482 HydrophobicContact CB-CD1 3.79Å; N357-L482 HydrophobicContact CB-CG 3.91Å; N357-L482 VanDerWaalsContact CG-CD1 3.44Å; N357-L482 VanDerWaalsContact OD1-CD1 3.26Å; N357-L482 WeakPolarHBondContact OD1-CD1 3.38Å
483	C	84.8	Confident	93.4	Very high	129 Å²	129	98.5 Å²	98.5	87%	0.872	52%	0.519	S	S	*	.			trans	-94.1	-1.3	178.5	-61.6	0	0	0	0	113.3
484	L	83.6	Confident	93	Very high	77 Å²	77	96.6 Å²	96.6	40%	0.403	52%	0.516	S	S	.	.			trans	-164.3	0	-174.4	51	81.1	0	0	0	115.5	R20 Y21 R303	R20-L484 HydrophobicContact CB-CD2 4.37Å; R20-L484 HydrophobicContact CG-CD1 3.94Å; R20-L484 HydrophobicContact CG-CD2 3.33Å; R20-L484 HydrophobicContact CG-CG 4.28Å; R20-L484 WeakPolarHBondContact O-CD2 3.34Å; Y21-L484 HydrophobicContact CD1-CD1 4.32Å; Y21-L484 HydrophobicContact CE1-CD1 4.31Å; R303-L484 VanDerWaalsContact NH1-CD1 3.3Å; R303-L484 PolarHBondContact NH1-O 3.1Å; R303-L484 PolarHBondContact NH1-OXT 3.31Å; R303-L484 PolarHBondContact NH2-O 2.81Å

Retrieved 484 of 484 residues in 770 ms (Link to these results)

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